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*** D67H ***elNémo ID: 2504011032101562295Job options:ID = 2504011032101562295 JOBID = D67H USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER D67H HEADER HYDROLASE 05-JAN-98 1JSF REMARK 4 1JSF COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE FULL-MATRIX LEAST-SQUARES REFINEMENT OF HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.15 ANGSTROMS REMARK 3 R VALUE : 0.112000 REMARK 3 FREE R VALUE : 0.157000 REMARK 200 TEMPERATURE (KELVIN) : 285.00 REMARK 200 PH : 4.50 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 CRYST1 57.050 60.960 32.960 90.00 90.00 90.00 P 21 21 21 4 MODEL 1 ATOM 1 N LYS A 1 1.192 19.711 22.060 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.945 20.613 21.171 1.00 18.25 C ATOM 3 C LYS A 1 3.147 19.881 20.573 1.00 16.14 C ATOM 4 O LYS A 1 3.919 19.273 21.312 1.00 16.16 O ATOM 5 CB LYS A 1 2.395 21.865 21.957 1.00 24.42 C ATOM 6 CG LYS A 1 3.282 22.857 21.183 1.00 26.69 C ATOM 7 CD LYS A 1 3.600 24.112 22.005 1.00 23.93 C ATOM 8 CE LYS A 1 4.494 25.085 21.231 1.00 26.10 C ATOM 9 NZ LYS A 1 4.812 26.278 22.029 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.472 20.230 22.551 1.00 0.00 H ATOM 11 H2 LYS A 1 0.778 18.962 21.525 1.00 0.00 H ATOM 12 H3 LYS A 1 1.829 19.322 22.746 1.00 0.00 H ATOM 13 HA LYS A 1 1.274 20.921 20.368 1.00 0.00 H ATOM 14 HB3 LYS A 1 2.916 21.563 22.867 1.00 0.00 H ATOM 15 HB2 LYS A 1 1.505 22.401 22.278 1.00 0.00 H ATOM 16 HG3 LYS A 1 2.788 23.142 20.253 1.00 0.00 H ATOM 17 HG2 LYS A 1 4.224 22.384 20.903 1.00 0.00 H ATOM 18 HD3 LYS A 1 4.090 23.822 22.935 1.00 0.00 H ATOM 19 HD2 LYS A 1 2.671 24.610 22.286 1.00 0.00 H ATOM 20 HE3 LYS A 1 4.003 25.403 20.310 1.00 0.00 H ATOM 21 HE2 LYS A 1 5.427 24.601 20.940 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.371 26.895 21.446 1.00 0.00 H ATOM 23 HZ2 LYS A 1 3.961 26.750 22.297 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.338 26.013 22.848 1.00 0.00 H ATOM 25 N VAL A 2 3.341 20.013 19.253 1.00 15.22 N ATOM 26 CA VAL A 2 4.591 19.693 18.570 1.00 14.66 C ATOM 27 C VAL A 2 5.300 21.038 18.365 1.00 14.54 C ATOM 28 O VAL A 2 4.793 21.909 17.656 1.00 17.31 O ATOM 29 CB VAL A 2 4.304 19.010 17.204 1.00 18.09 C ATOM 30 CG1 VAL A 2 5.603 18.673 16.441 1.00 20.30 C ATOM 31 CG2 VAL A 2 3.471 17.727 17.375 1.00 21.91 C ATOM 32 H VAL A 2 2.659 20.530 18.716 1.00 0.00 H ATOM 33 HA VAL A 2 5.218 19.034 19.168 1.00 0.00 H ATOM 34 HB VAL A 2 3.721 19.690 16.580 1.00 0.00 H ATOM 35 HG11 VAL A 2 5.387 18.153 15.507 1.00 0.00 H ATOM 36 HG12 VAL A 2 6.170 19.567 16.181 1.00 0.00 H ATOM 37 HG13 VAL A 2 6.254 18.029 17.034 1.00 0.00 H ATOM 38 HG21 VAL A 2 3.280 17.250 16.414 1.00 0.00 H ATOM 39 HG22 VAL A 2 3.992 17.005 18.004 1.00 0.00 H ATOM 40 HG23 VAL A 2 2.501 17.926 17.831 1.00 0.00 H ATOM 41 N PHE A 3 6.473 21.197 18.995 1.00 13.22 N ATOM 42 CA PHE A 3 7.315 22.380 18.855 1.00 12.29 C ATOM 43 C PHE A 3 8.095 22.308 17.537 1.00 13.94 C ATOM 44 O PHE A 3 8.519 21.235 17.103 1.00 16.04 O ATOM 45 CB PHE A 3 8.367 22.415 19.983 1.00 13.14 C ATOM 46 CG PHE A 3 7.910 22.938 21.327 1.00 12.43 C ATOM 47 CD1 PHE A 3 7.158 22.121 22.196 1.00 14.74 C ATOM 48 CD2 PHE A 3 8.284 24.235 21.735 1.00 14.77 C ATOM 49 CE1 PHE A 3 6.787 22.605 23.465 1.00 16.85 C ATOM 50 CE2 PHE A 3 7.915 24.714 23.005 1.00 16.48 C ATOM 51 CZ PHE A 3 7.167 23.897 23.873 1.00 16.12 C ATOM 52 H PHE A 3 6.828 20.435 19.557 1.00 0.00 H ATOM 53 HA PHE A 3 6.709 23.287 18.880 1.00 0.00 H ATOM 54 HB3 PHE A 3 9.194 23.054 19.674 1.00 0.00 H ATOM 55 HB2 PHE A 3 8.800 21.432 20.140 1.00 0.00 H ATOM 56 HD1 PHE A 3 6.872 21.123 21.897 1.00 0.00 H ATOM 57 HD2 PHE A 3 8.866 24.863 21.077 1.00 0.00 H ATOM 58 HE1 PHE A 3 6.210 21.987 24.132 1.00 0.00 H ATOM 59 HE2 PHE A 3 8.211 25.707 23.313 1.00 0.00 H ATOM 60 HZ PHE A 3 6.882 24.259 24.850 1.00 0.00 H ATOM 61 N GLU A 4 8.362 23.490 16.966 1.00 14.86 N ATOM 62 CA GLU A 4 9.381 23.696 15.942 1.00 16.55 C ATOM 63 C GLU A 4 10.757 23.702 16.638 1.00 14.12 C ATOM 64 O GLU A 4 10.859 24.060 17.812 1.00 14.27 O ATOM 65 CB GLU A 4 9.121 25.055 15.263 1.00 21.19 C ATOM 66 CG GLU A 4 7.794 25.070 14.475 1.00 34.01 C ATOM 67 CD GLU A 4 7.493 26.435 13.861 1.00 39.62 C ATOM 68 OE1 GLU A 4 8.291 26.862 12.999 1.00 49.70 O ATOM 69 OE2 GLU A 4 6.466 27.027 14.261 1.00 48.74 O1- ATOM 70 H GLU A 4 7.961 24.320 17.386 1.00 0.00 H ATOM 71 HA GLU A 4 9.344 22.895 15.201 1.00 0.00 H ATOM 72 HB3 GLU A 4 9.942 25.285 14.582 1.00 0.00 H ATOM 73 HB2 GLU A 4 9.112 25.851 16.009 1.00 0.00 H ATOM 74 HG3 GLU A 4 6.961 24.791 15.122 1.00 0.00 H ATOM 75 HG2 GLU A 4 7.826 24.330 13.675 1.00 0.00 H ATOM 76 N ARG A 5 11.807 23.262 15.924 1.00 13.42 N ATOM 77 CA ARG A 5 13.171 23.057 16.428 1.00 13.70 C ATOM 78 C ARG A 5 13.742 24.248 17.220 1.00 11.54 C ATOM 79 O ARG A 5 14.139 24.092 18.373 1.00 12.11 O ATOM 80 CB ARG A 5 14.077 22.626 15.256 1.00 14.12 C ATOM 81 CG ARG A 5 15.556 22.386 15.623 1.00 16.72 C ATOM 82 CD ARG A 5 16.398 21.927 14.426 1.00 19.34 C ATOM 83 NE ARG A 5 16.577 23.012 13.449 1.00 20.28 N ATOM 84 CZ ARG A 5 17.560 23.928 13.452 1.00 21.61 C ATOM 85 NH1 ARG A 5 18.507 23.940 14.399 1.00 24.48 N ATOM 86 NH2 ARG A 5 17.596 24.861 12.494 1.00 23.88 N1+ ATOM 87 H ARG A 5 11.632 22.982 14.970 1.00 0.00 H ATOM 88 HA ARG A 5 13.115 22.217 17.125 1.00 0.00 H ATOM 89 HB3 ARG A 5 14.025 23.382 14.472 1.00 0.00 H ATOM 90 HB2 ARG A 5 13.672 21.713 14.818 1.00 0.00 H ATOM 91 HG3 ARG A 5 15.616 21.634 16.409 1.00 0.00 H ATOM 92 HG2 ARG A 5 16.006 23.290 16.036 1.00 0.00 H ATOM 93 HD3 ARG A 5 15.921 21.080 13.932 1.00 0.00 H ATOM 94 HD2 ARG A 5 17.373 21.574 14.758 1.00 0.00 H ATOM 95 HE ARG A 5 15.876 23.068 12.724 1.00 0.00 H ATOM 96 HH12 ARG A 5 19.222 24.656 14.385 1.00 0.00 H ATOM 97 HH11 ARG A 5 18.491 23.262 15.147 1.00 0.00 H ATOM 98 HH22 ARG A 5 18.325 25.565 12.510 1.00 0.00 H ATOM 99 HH21 ARG A 5 16.898 24.886 11.765 1.00 0.00 H ATOM 100 N CYS A 6 13.752 25.440 16.609 1.00 12.58 N ATOM 101 CA CYS A 6 14.328 26.641 17.209 1.00 12.42 C ATOM 102 C CYS A 6 13.387 27.351 18.194 1.00 11.86 C ATOM 103 O CYS A 6 13.869 28.124 19.021 1.00 13.27 O ATOM 104 CB CYS A 6 14.714 27.612 16.087 1.00 13.64 C ATOM 105 SG CYS A 6 16.081 27.039 15.041 1.00 16.20 S ATOM 106 H CYS A 6 13.395 25.508 15.667 1.00 0.00 H ATOM 107 HA CYS A 6 15.216 26.369 17.777 1.00 0.00 H ATOM 108 HB3 CYS A 6 15.030 28.564 16.514 1.00 0.00 H ATOM 109 HB2 CYS A 6 13.856 27.831 15.450 1.00 0.00 H ATOM 110 N GLU A 7 12.077 27.047 18.164 1.00 12.12 N ATOM 111 CA GLU A 7 11.114 27.459 19.184 1.00 12.07 C ATOM 112 C GLU A 7 11.404 26.732 20.509 1.00 11.12 C ATOM 113 O GLU A 7 11.436 27.381 21.553 1.00 12.80 O ATOM 114 CB GLU A 7 9.682 27.155 18.691 1.00 16.60 C ATOM 115 CG GLU A 7 8.555 27.544 19.677 1.00 18.77 C ATOM 116 CD GLU A 7 7.191 26.934 19.346 1.00 21.58 C ATOM 117 OE1 GLU A 7 7.146 25.920 18.614 1.00 21.23 O ATOM 118 OE2 GLU A 7 6.203 27.480 19.882 1.00 26.51 O1- ATOM 119 H GLU A 7 11.756 26.384 17.472 1.00 0.00 H ATOM 120 HA GLU A 7 11.209 28.534 19.347 1.00 0.00 H ATOM 121 HB3 GLU A 7 9.614 26.093 18.471 1.00 0.00 H ATOM 122 HB2 GLU A 7 9.509 27.666 17.743 1.00 0.00 H ATOM 123 HG3 GLU A 7 8.462 28.630 19.714 1.00 0.00 H ATOM 124 HG2 GLU A 7 8.782 27.225 20.693 1.00 0.00 H ATOM 125 N LEU A 8 11.667 25.411 20.454 1.00 11.84 N ATOM 126 CA LEU A 8 12.026 24.587 21.607 1.00 10.90 C ATOM 127 C LEU A 8 13.402 24.966 22.170 1.00 10.67 C ATOM 128 O LEU A 8 13.545 25.021 23.387 1.00 11.45 O ATOM 129 CB LEU A 8 12.015 23.092 21.216 1.00 11.53 C ATOM 130 CG LEU A 8 12.276 22.100 22.376 1.00 11.62 C ATOM 131 CD1 LEU A 8 11.240 22.217 23.506 1.00 14.29 C ATOM 132 CD2 LEU A 8 12.331 20.661 21.856 1.00 16.83 C ATOM 133 H LEU A 8 11.617 24.951 19.554 1.00 0.00 H ATOM 134 HA LEU A 8 11.270 24.764 22.373 1.00 0.00 H ATOM 135 HB3 LEU A 8 12.749 22.920 20.428 1.00 0.00 H ATOM 136 HB2 LEU A 8 11.054 22.848 20.772 1.00 0.00 H ATOM 137 HG LEU A 8 13.254 22.307 22.807 1.00 0.00 H ATOM 138 HD11 LEU A 8 11.426 21.475 24.283 1.00 0.00 H ATOM 139 HD12 LEU A 8 11.276 23.193 23.990 1.00 0.00 H ATOM 140 HD13 LEU A 8 10.227 22.065 23.134 1.00 0.00 H ATOM 141 HD21 LEU A 8 12.522 19.956 22.665 1.00 0.00 H ATOM 142 HD22 LEU A 8 11.393 20.380 21.378 1.00 0.00 H ATOM 143 HD23 LEU A 8 13.128 20.541 21.123 1.00 0.00 H ATOM 144 N ALA A 9 14.391 25.263 21.307 1.00 10.92 N ATOM 145 CA ALA A 9 15.745 25.659 21.701 1.00 11.36 C ATOM 146 C ALA A 9 15.756 26.946 22.545 1.00 12.02 C ATOM 147 O ALA A 9 16.429 26.991 23.574 1.00 11.55 O ATOM 148 CB ALA A 9 16.615 25.826 20.446 1.00 13.31 C ATOM 149 H ALA A 9 14.202 25.178 20.317 1.00 0.00 H ATOM 150 HA ALA A 9 16.165 24.852 22.305 1.00 0.00 H ATOM 151 HB1 ALA A 9 17.654 26.019 20.713 1.00 0.00 H ATOM 152 HB2 ALA A 9 16.601 24.924 19.833 1.00 0.00 H ATOM 153 HB3 ALA A 9 16.274 26.657 19.828 1.00 0.00 H ATOM 154 N ARG A 10 14.959 27.957 22.155 1.00 11.89 N ATOM 155 CA ARG A 10 14.795 29.204 22.903 1.00 12.26 C ATOM 156 C ARG A 10 13.940 29.024 24.170 1.00 11.30 C ATOM 157 O ARG A 10 14.200 29.714 25.154 1.00 13.37 O ATOM 158 CB ARG A 10 14.115 30.261 22.011 1.00 15.41 C ATOM 159 CG ARG A 10 15.022 30.784 20.884 1.00 17.40 C ATOM 160 CD ARG A 10 14.393 31.949 20.107 1.00 21.37 C ATOM 161 NE ARG A 10 13.186 31.524 19.381 1.00 20.21 N ATOM 162 CZ ARG A 10 13.126 31.141 18.094 1.00 19.83 C ATOM 163 NH1 ARG A 10 14.224 31.090 17.326 1.00 20.32 N ATOM 164 NH2 ARG A 10 11.942 30.802 17.569 1.00 23.03 N1+ ATOM 165 H ARG A 10 14.425 27.847 21.304 1.00 0.00 H ATOM 166 HA ARG A 10 15.776 29.572 23.208 1.00 0.00 H ATOM 167 HB3 ARG A 10 13.819 31.114 22.624 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.194 29.854 21.591 1.00 0.00 H ATOM 169 HG3 ARG A 10 15.288 29.979 20.199 1.00 0.00 H ATOM 170 HG2 ARG A 10 15.964 31.129 21.313 1.00 0.00 H ATOM 171 HD3 ARG A 10 15.118 32.380 19.417 1.00 0.00 H ATOM 172 HD2 ARG A 10 14.119 32.749 20.794 1.00 0.00 H ATOM 173 HE ARG A 10 12.333 31.516 19.919 1.00 0.00 H ATOM 174 HH12 ARG A 10 14.161 30.831 16.352 1.00 0.00 H ATOM 175 HH11 ARG A 10 15.129 31.313 17.720 1.00 0.00 H ATOM 176 HH22 ARG A 10 11.871 30.517 16.603 1.00 0.00 H ATOM 177 HH21 ARG A 10 11.103 30.840 18.130 1.00 0.00 H ATOM 178 N THR A 11 12.957 28.103 24.175 1.00 11.61 N ATOM 179 CA THR A 11 12.100 27.821 25.334 1.00 11.60 C ATOM 180 C THR A 11 12.906 27.119 26.442 1.00 11.46 C ATOM 181 O THR A 11 12.796 27.509 27.602 1.00 12.79 O ATOM 182 CB THR A 11 10.887 26.950 24.909 1.00 13.51 C ATOM 183 OG1 THR A 11 10.080 27.692 24.016 1.00 15.51 O ATOM 184 CG2 THR A 11 9.954 26.549 26.068 1.00 15.20 C ATOM 185 H THR A 11 12.805 27.558 23.337 1.00 0.00 H ATOM 186 HA THR A 11 11.734 28.766 25.738 1.00 0.00 H ATOM 187 HB THR A 11 11.224 26.047 24.400 1.00 0.00 H ATOM 188 HG1 THR A 11 10.545 27.772 23.193 1.00 0.00 H ATOM 189 HG21 THR A 11 9.096 25.984 25.703 1.00 0.00 H ATOM 190 HG22 THR A 11 10.458 25.918 26.799 1.00 0.00 H ATOM 191 HG23 THR A 11 9.577 27.425 26.595 1.00 0.00 H ATOM 192 N LEU A 12 13.747 26.132 26.084 1.00 10.78 N ATOM 193 CA LEU A 12 14.636 25.420 27.001 1.00 11.18 C ATOM 194 C LEU A 12 15.748 26.330 27.552 1.00 11.18 C ATOM 195 O LEU A 12 16.105 26.187 28.720 1.00 12.56 O ATOM 196 CB LEU A 12 15.273 24.214 26.276 1.00 12.02 C ATOM 197 CG LEU A 12 14.320 23.057 25.902 1.00 12.75 C ATOM 198 CD1 LEU A 12 15.066 22.009 25.061 1.00 17.07 C ATOM 199 CD2 LEU A 12 13.664 22.395 27.120 1.00 16.49 C ATOM 200 H LEU A 12 13.782 25.863 25.108 1.00 0.00 H ATOM 201 HA LEU A 12 14.054 25.074 27.856 1.00 0.00 H ATOM 202 HB3 LEU A 12 16.085 23.804 26.878 1.00 0.00 H ATOM 203 HB2 LEU A 12 15.735 24.581 25.361 1.00 0.00 H ATOM 204 HG LEU A 12 13.509 23.451 25.294 1.00 0.00 H ATOM 205 HD11 LEU A 12 14.401 21.203 24.749 1.00 0.00 H ATOM 206 HD12 LEU A 12 15.485 22.457 24.160 1.00 0.00 H ATOM 207 HD13 LEU A 12 15.889 21.563 25.620 1.00 0.00 H ATOM 208 HD21 LEU A 12 12.998 21.592 26.807 1.00 0.00 H ATOM 209 HD22 LEU A 12 14.410 21.969 27.789 1.00 0.00 H ATOM 210 HD23 LEU A 12 13.059 23.100 27.688 1.00 0.00 H ATOM 211 N LYS A 13 16.256 27.290 26.754 1.00 11.39 N ATOM 212 CA LYS A 13 17.254 28.269 27.192 1.00 11.97 C ATOM 213 C LYS A 13 16.678 29.285 28.200 1.00 12.47 C ATOM 214 O LYS A 13 17.371 29.613 29.163 1.00 13.70 O ATOM 215 CB LYS A 13 17.863 28.994 25.970 1.00 16.60 C ATOM 216 CG LYS A 13 18.987 29.980 26.356 1.00 22.62 C ATOM 217 CD LYS A 13 20.162 30.023 25.372 1.00 30.87 C ATOM 218 CE LYS A 13 21.267 30.980 25.849 1.00 37.86 C ATOM 219 NZ LYS A 13 22.579 30.618 25.289 1.00 58.06 N1+ ATOM 220 H LYS A 13 15.928 27.350 25.800 1.00 0.00 H ATOM 221 HA LYS A 13 18.056 27.720 27.690 1.00 0.00 H ATOM 222 HB3 LYS A 13 17.093 29.514 25.398 1.00 0.00 H ATOM 223 HB2 LYS A 13 18.266 28.236 25.299 1.00 0.00 H ATOM 224 HG3 LYS A 13 19.399 29.689 27.324 1.00 0.00 H ATOM 225 HG2 LYS A 13 18.570 30.978 26.495 1.00 0.00 H ATOM 226 HD3 LYS A 13 19.821 30.308 24.377 1.00 0.00 H ATOM 227 HD2 LYS A 13 20.571 29.015 25.284 1.00 0.00 H ATOM 228 HE3 LYS A 13 21.363 30.950 26.935 1.00 0.00 H ATOM 229 HE2 LYS A 13 21.021 32.007 25.577 1.00 0.00 H ATOM 230 HZ1 LYS A 13 23.270 31.306 25.547 1.00 0.00 H ATOM 231 HZ2 LYS A 13 22.859 29.714 25.655 1.00 0.00 H ATOM 232 HZ3 LYS A 13 22.531 30.548 24.275 1.00 0.00 H ATOM 233 N ARG A 14 15.417 29.730 28.032 1.00 12.34 N ATOM 234 CA ARG A 14 14.722 30.597 28.995 1.00 12.96 C ATOM 235 C ARG A 14 14.399 29.871 30.311 1.00 11.94 C ATOM 236 O ARG A 14 14.405 30.506 31.364 1.00 14.46 O ATOM 237 CB AARG A 14 13.391 31.110 28.409 0.70 15.74 C ATOM 238 CB BARG A 14 13.623 31.319 28.361 0.30 15.28 C ATOM 239 CG AARG A 14 13.548 32.232 27.371 0.70 21.21 C ATOM 240 CG BARG A 14 14.058 32.408 27.351 0.30 19.21 C ATOM 241 CD AARG A 14 12.221 32.943 27.060 0.70 28.16 C ATOM 242 CD BARG A 14 15.036 33.371 28.016 0.30 26.84 C ATOM 243 NE AARG A 14 11.171 31.995 26.656 0.70 30.61 N ATOM 244 NE BARG A 14 15.209 34.596 27.262 0.30 35.78 N ATOM 245 CZ AARG A 14 10.860 31.634 25.400 0.70 30.91 C ATOM 246 CZ BARG A 14 14.338 35.577 27.122 0.30 33.72 C ATOM 247 NH1AARG A 14 11.524 32.128 24.346 0.70 32.12 N ATOM 248 NH1BARG A 14 13.846 35.867 25.919 0.30 36.51 N ATOM 249 NH2AARG A 14 9.870 30.756 25.201 0.70 31.46 N1+ ATOM 250 NH2BARG A 14 13.965 36.331 28.153 0.30 28.73 N1+ ATOM 251 H ARG A 14 14.901 29.425 27.217 1.00 0.00 H ATOM 252 HA ARG A 14 15.363 31.447 29.233 1.00 0.00 H ATOM 253 HB3AARG A 14 12.772 31.504 29.218 0.70 0.00 H ATOM 254 HB3BARG A 14 13.069 31.783 29.177 0.30 0.00 H ATOM 255 HB2AARG A 14 12.828 30.279 27.982 0.70 0.00 H ATOM 256 HB2BARG A 14 12.921 30.639 27.879 0.30 0.00 H ATOM 257 HG3AARG A 14 13.998 31.854 26.456 0.70 0.00 H ATOM 258 HG3BARG A 14 13.181 32.959 27.011 0.30 0.00 H ATOM 259 HG2AARG A 14 14.245 32.977 27.756 0.70 0.00 H ATOM 260 HG2BARG A 14 14.539 31.937 26.494 0.30 0.00 H ATOM 261 HD3AARG A 14 12.362 33.710 26.299 0.70 0.00 H ATOM 262 HD3BARG A 14 16.002 32.880 28.137 0.30 0.00 H ATOM 263 HD2AARG A 14 11.871 33.463 27.952 0.70 0.00 H ATOM 264 HD2BARG A 14 14.684 33.610 29.019 0.30 0.00 H ATOM 265 HE AARG A 14 10.656 31.571 27.415 0.70 0.00 H ATOM 266 HE BARG A 14 16.112 34.655 26.814 0.30 0.00 H ATOM 267 HH12AARG A 14 11.273 31.855 23.407 0.70 0.00 H ATOM 268 HH12BARG A 14 13.179 36.618 25.814 0.30 0.00 H ATOM 269 HH11AARG A 14 12.278 32.783 24.490 0.70 0.00 H ATOM 270 HH11BARG A 14 14.140 35.336 25.112 0.30 0.00 H ATOM 271 HH22AARG A 14 9.634 30.446 24.269 0.70 0.00 H ATOM 272 HH22BARG A 14 13.296 37.076 28.018 0.30 0.00 H ATOM 273 HH21AARG A 14 9.360 30.374 25.984 0.70 0.00 H ATOM 274 HH21BARG A 14 14.351 36.159 29.070 0.30 0.00 H ATOM 275 N LEU A 15 14.149 28.552 30.255 1.00 11.41 N ATOM 276 CA LEU A 15 13.910 27.702 31.421 1.00 11.71 C ATOM 277 C LEU A 15 15.227 27.164 32.028 1.00 12.33 C ATOM 278 O LEU A 15 15.173 26.345 32.943 1.00 15.00 O ATOM 279 CB LEU A 15 12.989 26.530 31.009 1.00 13.70 C ATOM 280 CG LEU A 15 11.555 26.941 30.600 1.00 15.21 C ATOM 281 CD1 LEU A 15 10.825 25.777 29.912 1.00 16.24 C ATOM 282 CD2 LEU A 15 10.728 27.444 31.795 1.00 20.49 C ATOM 283 H LEU A 15 14.145 28.105 29.349 1.00 0.00 H ATOM 284 HA LEU A 15 13.422 28.279 32.207 1.00 0.00 H ATOM 285 HB3 LEU A 15 12.894 25.837 31.843 1.00 0.00 H ATOM 286 HB2 LEU A 15 13.461 25.973 30.197 1.00 0.00 H ATOM 287 HG LEU A 15 11.612 27.754 29.878 1.00 0.00 H ATOM 288 HD11 LEU A 15 9.845 26.088 29.547 1.00 0.00 H ATOM 289 HD12 LEU A 15 11.389 25.406 29.056 1.00 0.00 H ATOM 290 HD13 LEU A 15 10.671 24.946 30.600 1.00 0.00 H ATOM 291 HD21 LEU A 15 9.712 27.695 31.488 1.00 0.00 H ATOM 292 HD22 LEU A 15 10.657 26.686 32.576 1.00 0.00 H ATOM 293 HD23 LEU A 15 11.159 28.342 32.236 1.00 0.00 H ATOM 294 N GLY A 16 16.397 27.659 31.583 1.00 12.66 N ATOM 295 CA GLY A 16 17.693 27.491 32.240 1.00 13.48 C ATOM 296 C GLY A 16 18.378 26.136 32.031 1.00 12.84 C ATOM 297 O GLY A 16 19.131 25.711 32.907 1.00 15.76 O ATOM 298 H GLY A 16 16.363 28.320 30.819 1.00 0.00 H ATOM 299 HA3 GLY A 16 17.585 27.680 33.309 1.00 0.00 H ATOM 300 HA2 GLY A 16 18.360 28.265 31.860 1.00 0.00 H ATOM 301 N MET A 17 18.108 25.449 30.910 1.00 11.57 N ATOM 302 CA MET A 17 18.641 24.115 30.619 1.00 11.60 C ATOM 303 C MET A 17 20.040 24.138 29.983 1.00 11.86 C ATOM 304 O MET A 17 20.747 23.137 30.093 1.00 14.20 O ATOM 305 CB MET A 17 17.688 23.399 29.641 1.00 13.14 C ATOM 306 CG MET A 17 16.395 22.943 30.328 1.00 14.11 C ATOM 307 SD MET A 17 16.646 21.526 31.435 1.00 18.03 S ATOM 308 CE MET A 17 15.828 20.226 30.477 1.00 24.42 C ATOM 309 H MET A 17 17.464 25.850 30.241 1.00 0.00 H ATOM 310 HA MET A 17 18.712 23.537 31.542 1.00 0.00 H ATOM 311 HB3 MET A 17 18.163 22.517 29.207 1.00 0.00 H ATOM 312 HB2 MET A 17 17.464 24.047 28.797 1.00 0.00 H ATOM 313 HG3 MET A 17 15.653 22.678 29.577 1.00 0.00 H ATOM 314 HG2 MET A 17 15.959 23.762 30.900 1.00 0.00 H ATOM 315 HE1 MET A 17 15.950 19.265 30.974 1.00 0.00 H ATOM 316 HE2 MET A 17 14.762 20.429 30.388 1.00 0.00 H ATOM 317 HE3 MET A 17 16.253 20.161 29.476 1.00 0.00 H ATOM 318 N ASP A 18 20.461 25.247 29.345 1.00 12.93 N ATOM 319 CA ASP A 18 21.768 25.364 28.693 1.00 14.41 C ATOM 320 C ASP A 18 22.890 25.402 29.749 1.00 14.70 C ATOM 321 O ASP A 18 22.996 26.355 30.521 1.00 17.65 O ATOM 322 CB ASP A 18 21.790 26.628 27.797 1.00 16.44 C ATOM 323 CG ASP A 18 23.035 26.758 26.905 1.00 19.56 C ATOM 324 OD1 ASP A 18 23.642 25.709 26.586 1.00 20.72 O ATOM 325 OD2 ASP A 18 23.335 27.913 26.526 1.00 29.13 O1- ATOM 326 H ASP A 18 19.848 26.049 29.313 1.00 0.00 H ATOM 327 HA ASP A 18 21.896 24.483 28.059 1.00 0.00 H ATOM 328 HB3 ASP A 18 21.699 27.527 28.408 1.00 0.00 H ATOM 329 HB2 ASP A 18 20.920 26.626 27.139 1.00 0.00 H ATOM 330 N GLY A 19 23.697 24.332 29.786 1.00 12.95 N ATOM 331 CA GLY A 19 24.773 24.118 30.745 1.00 15.05 C ATOM 332 C GLY A 19 24.325 23.552 32.101 1.00 12.69 C ATOM 333 O GLY A 19 25.161 23.474 33.002 1.00 15.26 O ATOM 334 H GLY A 19 23.517 23.580 29.135 1.00 0.00 H ATOM 335 HA3 GLY A 19 25.322 25.047 30.907 1.00 0.00 H ATOM 336 HA2 GLY A 19 25.480 23.415 30.304 1.00 0.00 H ATOM 337 N TYR A 20 23.045 23.156 32.268 1.00 13.11 N ATOM 338 CA TYR A 20 22.515 22.597 33.516 1.00 11.95 C ATOM 339 C TYR A 20 23.118 21.206 33.752 1.00 11.72 C ATOM 340 O TYR A 20 22.906 20.300 32.946 1.00 12.45 O ATOM 341 CB TYR A 20 20.974 22.488 33.462 1.00 12.49 C ATOM 342 CG TYR A 20 20.372 22.107 34.807 1.00 12.45 C ATOM 343 CD1 TYR A 20 20.058 23.118 35.738 1.00 15.37 C ATOM 344 CD2 TYR A 20 20.201 20.752 35.167 1.00 12.41 C ATOM 345 CE1 TYR A 20 19.610 22.779 37.029 1.00 16.89 C ATOM 346 CE2 TYR A 20 19.763 20.412 36.462 1.00 13.65 C ATOM 347 CZ TYR A 20 19.476 21.426 37.396 1.00 15.67 C ATOM 348 OH TYR A 20 19.073 21.102 38.658 1.00 20.08 O ATOM 349 H TYR A 20 22.413 23.232 31.482 1.00 0.00 H ATOM 350 HA TYR A 20 22.790 23.267 34.334 1.00 0.00 H ATOM 351 HB3 TYR A 20 20.652 21.774 32.701 1.00 0.00 H ATOM 352 HB2 TYR A 20 20.557 23.449 33.161 1.00 0.00 H ATOM 353 HD1 TYR A 20 20.188 24.158 35.474 1.00 0.00 H ATOM 354 HD2 TYR A 20 20.442 19.969 34.462 1.00 0.00 H ATOM 355 HE1 TYR A 20 19.389 23.561 37.740 1.00 0.00 H ATOM 356 HE2 TYR A 20 19.659 19.374 36.739 1.00 0.00 H ATOM 357 HH TYR A 20 18.999 21.864 39.214 1.00 0.00 H ATOM 358 N ARG A 21 23.899 21.068 34.839 1.00 13.06 N ATOM 359 CA ARG A 21 24.642 19.860 35.222 1.00 14.28 C ATOM 360 C ARG A 21 25.746 19.504 34.200 1.00 13.33 C ATOM 361 O ARG A 21 26.128 18.341 34.070 1.00 14.35 O ATOM 362 CB ARG A 21 23.681 18.691 35.573 1.00 16.78 C ATOM 363 CG ARG A 21 23.015 18.847 36.956 1.00 25.30 C ATOM 364 CD ARG A 21 23.883 18.300 38.101 1.00 33.61 C ATOM 365 NE ARG A 21 23.988 16.839 37.994 1.00 56.79 N ATOM 366 CZ ARG A 21 24.916 16.031 38.528 1.00 61.31 C ATOM 367 NH1 ARG A 21 25.902 16.510 39.298 1.00 60.56 N ATOM 368 NH2 ARG A 21 24.845 14.717 38.281 1.00 45.90 N1+ ATOM 369 H ARG A 21 24.023 21.879 35.428 1.00 0.00 H ATOM 370 HA ARG A 21 25.191 20.122 36.126 1.00 0.00 H ATOM 371 HB3 ARG A 21 24.200 17.733 35.538 1.00 0.00 H ATOM 372 HB2 ARG A 21 22.900 18.597 34.820 1.00 0.00 H ATOM 373 HG3 ARG A 21 22.069 18.307 36.960 1.00 0.00 H ATOM 374 HG2 ARG A 21 22.756 19.890 37.142 1.00 0.00 H ATOM 375 HD3 ARG A 21 23.437 18.545 39.065 1.00 0.00 H ATOM 376 HD2 ARG A 21 24.875 18.751 38.078 1.00 0.00 H ATOM 377 HE ARG A 21 23.253 16.388 37.460 1.00 0.00 H ATOM 378 HH12 ARG A 21 26.593 15.890 39.694 1.00 0.00 H ATOM 379 HH11 ARG A 21 25.958 17.500 39.487 1.00 0.00 H ATOM 380 HH22 ARG A 21 25.528 14.082 38.666 1.00 0.00 H ATOM 381 HH21 ARG A 21 24.082 14.345 37.729 1.00 0.00 H ATOM 382 N GLY A 22 26.244 20.514 33.464 1.00 12.43 N ATOM 383 CA GLY A 22 27.242 20.400 32.406 1.00 12.76 C ATOM 384 C GLY A 22 26.684 19.989 31.035 1.00 11.21 C ATOM 385 O GLY A 22 27.470 19.807 30.107 1.00 12.81 O ATOM 386 H GLY A 22 25.869 21.440 33.628 1.00 0.00 H ATOM 387 HA3 GLY A 22 28.020 19.694 32.700 1.00 0.00 H ATOM 388 HA2 GLY A 22 27.729 21.369 32.297 1.00 0.00 H ATOM 389 N ILE A 23 25.355 19.828 30.897 1.00 11.07 N ATOM 390 CA ILE A 23 24.695 19.369 29.675 1.00 11.77 C ATOM 391 C ILE A 23 24.320 20.614 28.857 1.00 10.74 C ATOM 392 O ILE A 23 23.502 21.425 29.293 1.00 12.48 O ATOM 393 CB ILE A 23 23.405 18.574 30.040 1.00 10.86 C ATOM 394 CG1 ILE A 23 23.696 17.379 30.981 1.00 12.80 C ATOM 395 CG2 ILE A 23 22.667 18.066 28.780 1.00 13.41 C ATOM 396 CD1 ILE A 23 22.461 16.900 31.750 1.00 14.46 C ATOM 397 H ILE A 23 24.765 20.002 31.699 1.00 0.00 H ATOM 398 HA ILE A 23 25.359 18.722 29.098 1.00 0.00 H ATOM 399 HB ILE A 23 22.729 19.247 30.568 1.00 0.00 H ATOM 400 HG13 ILE A 23 24.447 17.633 31.727 1.00 0.00 H ATOM 401 HG12 ILE A 23 24.121 16.552 30.409 1.00 0.00 H ATOM 402 HG21 ILE A 23 21.744 17.555 29.042 1.00 0.00 H ATOM 403 HG22 ILE A 23 22.381 18.873 28.109 1.00 0.00 H ATOM 404 HG23 ILE A 23 23.283 17.369 28.213 1.00 0.00 H ATOM 405 HD11 ILE A 23 22.702 16.023 32.351 1.00 0.00 H ATOM 406 HD12 ILE A 23 22.098 17.676 32.423 1.00 0.00 H ATOM 407 HD13 ILE A 23 21.645 16.630 31.083 1.00 0.00 H ATOM 408 N SER A 24 24.903 20.734 27.654 1.00 11.50 N ATOM 409 CA SER A 24 24.613 21.784 26.680 1.00 11.97 C ATOM 410 C SER A 24 23.192 21.646 26.105 1.00 11.84 C ATOM 411 O SER A 24 22.622 20.554 26.077 1.00 11.40 O ATOM 412 CB SER A 24 25.671 21.723 25.554 1.00 12.92 C ATOM 413 OG SER A 24 25.511 20.612 24.689 1.00 13.62 O ATOM 414 H SER A 24 25.561 20.022 27.372 1.00 0.00 H ATOM 415 HA SER A 24 24.697 22.748 27.188 1.00 0.00 H ATOM 416 HB3 SER A 24 26.677 21.706 25.975 1.00 0.00 H ATOM 417 HB2 SER A 24 25.608 22.626 24.946 1.00 0.00 H ATOM 418 HG SER A 24 26.165 20.668 24.008 1.00 0.00 H ATOM 419 N LEU A 25 22.645 22.767 25.613 1.00 12.17 N ATOM 420 CA LEU A 25 21.343 22.863 24.953 1.00 12.23 C ATOM 421 C LEU A 25 21.202 21.942 23.725 1.00 12.01 C ATOM 422 O LEU A 25 20.112 21.437 23.470 1.00 12.74 O ATOM 423 CB ALEU A 25 21.119 24.343 24.592 0.60 14.96 C ATOM 424 CB BLEU A 25 21.113 24.252 24.416 0.40 14.11 C ATOM 425 CG ALEU A 25 19.774 24.697 23.930 0.60 13.26 C ATOM 426 CG BLEU A 25 20.522 25.236 25.409 0.40 14.92 C ATOM 427 CD1ALEU A 25 18.572 24.392 24.833 0.60 18.00 C ATOM 428 CD1BLEU A 25 20.169 26.550 24.693 0.40 24.21 C ATOM 429 CD2ALEU A 25 19.784 26.172 23.523 0.60 15.14 C ATOM 430 CD2BLEU A 25 19.278 24.653 26.059 0.40 17.27 C ATOM 431 H LEU A 25 23.167 23.629 25.707 1.00 0.00 H ATOM 432 HA LEU A 25 20.591 22.563 25.682 1.00 0.00 H ATOM 433 HB3ALEU A 25 21.932 24.670 23.941 0.60 0.00 H ATOM 434 HB3BLEU A 25 20.461 24.185 23.545 0.40 0.00 H ATOM 435 HB2ALEU A 25 21.212 24.936 25.500 0.60 0.00 H ATOM 436 HB2BLEU A 25 22.029 24.670 23.998 0.40 0.00 H ATOM 437 HG ALEU A 25 19.658 24.119 23.014 0.60 0.00 H ATOM 438 HG BLEU A 25 21.261 25.443 26.183 0.40 0.00 H ATOM 439 HD11ALEU A 25 17.652 24.662 24.318 0.60 0.00 H ATOM 440 HD11BLEU A 25 19.745 27.253 25.410 0.40 0.00 H ATOM 441 HD12ALEU A 25 18.500 23.332 25.076 0.60 0.00 H ATOM 442 HD12BLEU A 25 21.070 26.979 24.254 0.40 0.00 H ATOM 443 HD13ALEU A 25 18.614 24.953 25.767 0.60 0.00 H ATOM 444 HD13BLEU A 25 19.441 26.351 23.906 0.40 0.00 H ATOM 445 HD21ALEU A 25 18.886 26.436 22.966 0.60 0.00 H ATOM 446 HD21BLEU A 25 18.867 25.372 26.768 0.40 0.00 H ATOM 447 HD22ALEU A 25 19.849 26.823 24.394 0.60 0.00 H ATOM 448 HD22BLEU A 25 18.535 24.435 25.292 0.40 0.00 H ATOM 449 HD23ALEU A 25 20.640 26.390 22.886 0.60 0.00 H ATOM 450 HD23BLEU A 25 19.538 23.734 26.584 0.40 0.00 H ATOM 451 N ALA A 26 22.308 21.680 23.009 1.00 11.62 N ATOM 452 CA ALA A 26 22.392 20.792 21.851 1.00 12.16 C ATOM 453 C ALA A 26 22.150 19.310 22.195 1.00 12.03 C ATOM 454 O ALA A 26 21.561 18.595 21.386 1.00 12.52 O ATOM 455 CB ALA A 26 23.791 20.956 21.244 1.00 14.36 C ATOM 456 H ALA A 26 23.167 22.120 23.307 1.00 0.00 H ATOM 457 HA ALA A 26 21.647 21.098 21.117 1.00 0.00 H ATOM 458 HB1 ALA A 26 23.908 20.347 20.353 1.00 0.00 H ATOM 459 HB2 ALA A 26 23.977 21.991 20.957 1.00 0.00 H ATOM 460 HB3 ALA A 26 24.572 20.663 21.947 1.00 0.00 H ATOM 461 N ASN A 27 22.557 18.865 23.399 1.00 11.30 N ATOM 462 CA ASN A 27 22.316 17.515 23.917 1.00 11.72 C ATOM 463 C ASN A 27 20.891 17.338 24.470 1.00 11.31 C ATOM 464 O ASN A 27 20.349 16.238 24.361 1.00 12.02 O ATOM 465 CB ASN A 27 23.325 17.196 25.045 1.00 11.67 C ATOM 466 CG ASN A 27 24.684 16.761 24.495 1.00 12.91 C ATOM 467 OD1 ASN A 27 24.796 15.685 23.913 1.00 15.81 O ATOM 468 ND2 ASN A 27 25.717 17.588 24.663 1.00 15.94 N ATOM 469 H ASN A 27 23.016 19.521 24.016 1.00 0.00 H ATOM 470 HA ASN A 27 22.434 16.792 23.106 1.00 0.00 H ATOM 471 HB3 ASN A 27 22.966 16.373 25.663 1.00 0.00 H ATOM 472 HB2 ASN A 27 23.441 18.046 25.719 1.00 0.00 H ATOM 473 HD22 ASN A 27 26.625 17.326 24.309 1.00 0.00 H ATOM 474 HD21 ASN A 27 25.582 18.487 25.105 1.00 0.00 H ATOM 475 N TRP A 28 20.267 18.405 25.003 1.00 10.26 N ATOM 476 CA TRP A 28 18.861 18.414 25.422 1.00 10.77 C ATOM 477 C TRP A 28 17.905 18.412 24.220 1.00 11.26 C ATOM 478 O TRP A 28 16.845 17.790 24.282 1.00 11.17 O ATOM 479 CB TRP A 28 18.568 19.683 26.246 1.00 10.49 C ATOM 480 CG TRP A 28 19.089 19.691 27.647 1.00 10.02 C ATOM 481 CD1 TRP A 28 19.981 20.571 28.152 1.00 12.17 C ATOM 482 CD2 TRP A 28 18.722 18.812 28.753 1.00 10.69 C ATOM 483 NE1 TRP A 28 20.181 20.307 29.489 1.00 12.53 N ATOM 484 CE2 TRP A 28 19.412 19.250 29.923 1.00 11.35 C ATOM 485 CE3 TRP A 28 17.857 17.701 28.894 1.00 12.47 C ATOM 486 CZ2 TRP A 28 19.232 18.639 31.174 1.00 13.34 C ATOM 487 CZ3 TRP A 28 17.677 17.070 30.141 1.00 14.07 C ATOM 488 CH2 TRP A 28 18.351 17.548 31.282 1.00 14.86 C ATOM 489 H TRP A 28 20.779 19.274 25.072 1.00 0.00 H ATOM 490 HA TRP A 28 18.655 17.527 26.024 1.00 0.00 H ATOM 491 HB3 TRP A 28 17.490 19.822 26.340 1.00 0.00 H ATOM 492 HB2 TRP A 28 18.935 20.569 25.725 1.00 0.00 H ATOM 493 HD1 TRP A 28 20.444 21.371 27.596 1.00 0.00 H ATOM 494 HE1 TRP A 28 20.797 20.873 30.060 1.00 0.00 H ATOM 495 HE3 TRP A 28 17.313 17.343 28.033 1.00 0.00 H ATOM 496 HZ2 TRP A 28 19.759 19.009 32.041 1.00 0.00 H ATOM 497 HZ3 TRP A 28 17.005 16.228 30.225 1.00 0.00 H ATOM 498 HH2 TRP A 28 18.188 17.081 32.240 1.00 0.00 H ATOM 499 N MET A 29 18.298 19.083 23.126 1.00 10.67 N ATOM 500 CA MET A 29 17.560 19.139 21.871 1.00 10.61 C ATOM 501 C MET A 29 17.676 17.821 21.091 1.00 11.13 C ATOM 502 O MET A 29 16.695 17.404 20.481 1.00 11.94 O ATOM 503 CB MET A 29 18.127 20.285 21.010 1.00 11.54 C ATOM 504 CG MET A 29 17.596 21.677 21.389 1.00 12.10 C ATOM 505 SD MET A 29 15.810 21.919 21.201 1.00 14.40 S ATOM 506 CE MET A 29 15.593 21.587 19.436 1.00 17.16 C ATOM 507 H MET A 29 19.168 19.597 23.171 1.00 0.00 H ATOM 508 HA MET A 29 16.501 19.308 22.078 1.00 0.00 H ATOM 509 HB3 MET A 29 17.874 20.115 19.970 1.00 0.00 H ATOM 510 HB2 MET A 29 19.217 20.283 21.046 1.00 0.00 H ATOM 511 HG3 MET A 29 18.092 22.429 20.779 1.00 0.00 H ATOM 512 HG2 MET A 29 17.843 21.906 22.424 1.00 0.00 H ATOM 513 HE1 MET A 29 14.541 21.679 19.171 1.00 0.00 H ATOM 514 HE2 MET A 29 16.174 22.289 18.838 1.00 0.00 H ATOM 515 HE3 MET A 29 15.898 20.573 19.187 1.00 0.00 H ATOM 516 N CYS A 30 18.835 17.138 21.154 1.00 11.31 N ATOM 517 CA CYS A 30 19.033 15.806 20.581 1.00 11.47 C ATOM 518 C CYS A 30 18.188 14.755 21.325 1.00 12.45 C ATOM 519 O CYS A 30 17.548 13.930 20.675 1.00 12.88 O ATOM 520 CB CYS A 30 20.529 15.438 20.623 1.00 12.22 C ATOM 521 SG CYS A 30 20.940 13.903 19.746 1.00 13.65 S ATOM 522 H CYS A 30 19.608 17.548 21.659 1.00 0.00 H ATOM 523 HA CYS A 30 18.714 15.834 19.537 1.00 0.00 H ATOM 524 HB3 CYS A 30 20.894 15.373 21.649 1.00 0.00 H ATOM 525 HB2 CYS A 30 21.105 16.231 20.148 1.00 0.00 H ATOM 526 N LEU A 31 18.132 14.823 22.670 1.00 11.57 N ATOM 527 CA LEU A 31 17.282 13.989 23.523 1.00 12.27 C ATOM 528 C LEU A 31 15.795 14.128 23.153 1.00 11.08 C ATOM 529 O LEU A 31 15.147 13.123 22.873 1.00 12.30 O ATOM 530 CB LEU A 31 17.539 14.326 25.013 1.00 13.03 C ATOM 531 CG LEU A 31 16.634 13.596 26.035 1.00 12.69 C ATOM 532 CD1 LEU A 31 16.906 12.087 26.076 1.00 15.53 C ATOM 533 CD2 LEU A 31 16.765 14.209 27.435 1.00 16.22 C ATOM 534 H LEU A 31 18.692 15.527 23.134 1.00 0.00 H ATOM 535 HA LEU A 31 17.575 12.953 23.345 1.00 0.00 H ATOM 536 HB3 LEU A 31 17.419 15.400 25.154 1.00 0.00 H ATOM 537 HB2 LEU A 31 18.583 14.118 25.250 1.00 0.00 H ATOM 538 HG LEU A 31 15.589 13.731 25.757 1.00 0.00 H ATOM 539 HD11 LEU A 31 16.151 11.587 26.681 1.00 0.00 H ATOM 540 HD12 LEU A 31 16.867 11.631 25.087 1.00 0.00 H ATOM 541 HD13 LEU A 31 17.881 11.874 26.511 1.00 0.00 H ATOM 542 HD21 LEU A 31 16.084 13.729 28.137 1.00 0.00 H ATOM 543 HD22 LEU A 31 17.777 14.106 27.824 1.00 0.00 H ATOM 544 HD23 LEU A 31 16.517 15.270 27.420 1.00 0.00 H ATOM 545 N ALA A 32 15.275 15.367 23.113 1.00 11.51 N ATOM 546 CA ALA A 32 13.874 15.679 22.821 1.00 11.12 C ATOM 547 C ALA A 32 13.430 15.283 21.401 1.00 11.09 C ATOM 548 O ALA A 32 12.267 14.925 21.211 1.00 13.12 O ATOM 549 CB ALA A 32 13.657 17.186 23.020 1.00 12.81 C ATOM 550 H ALA A 32 15.879 16.143 23.346 1.00 0.00 H ATOM 551 HA ALA A 32 13.255 15.136 23.536 1.00 0.00 H ATOM 552 HB1 ALA A 32 12.620 17.463 22.830 1.00 0.00 H ATOM 553 HB2 ALA A 32 13.889 17.483 24.043 1.00 0.00 H ATOM 554 HB3 ALA A 32 14.287 17.777 22.353 1.00 0.00 H ATOM 555 N LYS A 33 14.355 15.310 20.423 1.00 10.96 N ATOM 556 CA LYS A 33 14.104 14.943 19.031 1.00 12.88 C ATOM 557 C LYS A 33 13.902 13.430 18.876 1.00 12.92 C ATOM 558 O LYS A 33 12.998 13.015 18.153 1.00 14.54 O ATOM 559 CB LYS A 33 15.299 15.393 18.153 1.00 14.78 C ATOM 560 CG LYS A 33 15.005 15.353 16.640 1.00 24.35 C ATOM 561 CD LYS A 33 15.458 14.063 15.928 1.00 31.88 C ATOM 562 CE LYS A 33 14.637 13.749 14.670 1.00 43.51 C ATOM 563 NZ LYS A 33 14.754 14.813 13.659 1.00 44.62 N1+ ATOM 564 H LYS A 33 15.290 15.614 20.660 1.00 0.00 H ATOM 565 HA LYS A 33 13.199 15.459 18.703 1.00 0.00 H ATOM 566 HB3 LYS A 33 16.206 14.834 18.386 1.00 0.00 H ATOM 567 HB2 LYS A 33 15.534 16.425 18.404 1.00 0.00 H ATOM 568 HG3 LYS A 33 15.506 16.195 16.161 1.00 0.00 H ATOM 569 HG2 LYS A 33 13.939 15.524 16.480 1.00 0.00 H ATOM 570 HD3 LYS A 33 15.370 13.209 16.598 1.00 0.00 H ATOM 571 HD2 LYS A 33 16.519 14.127 15.686 1.00 0.00 H ATOM 572 HE3 LYS A 33 13.585 13.615 14.928 1.00 0.00 H ATOM 573 HE2 LYS A 33 14.976 12.810 14.231 1.00 0.00 H ATOM 574 HZ1 LYS A 33 14.203 14.570 12.848 1.00 0.00 H ATOM 575 HZ2 LYS A 33 14.416 15.683 14.046 1.00 0.00 H ATOM 576 HZ3 LYS A 33 15.721 14.916 13.390 1.00 0.00 H ATOM 577 N TRP A 34 14.744 12.613 19.527 1.00 12.70 N ATOM 578 CA TRP A 34 14.750 11.161 19.358 1.00 13.46 C ATOM 579 C TRP A 34 13.863 10.420 20.364 1.00 13.18 C ATOM 580 O TRP A 34 13.553 9.253 20.124 1.00 18.23 O ATOM 581 CB TRP A 34 16.202 10.663 19.452 1.00 14.44 C ATOM 582 CG TRP A 34 17.002 11.037 18.241 1.00 13.70 C ATOM 583 CD1 TRP A 34 18.058 11.880 18.212 1.00 14.63 C ATOM 584 CD2 TRP A 34 16.779 10.631 16.856 1.00 16.12 C ATOM 585 NE1 TRP A 34 18.482 12.047 16.912 1.00 17.71 N ATOM 586 CE2 TRP A 34 17.727 11.305 16.029 1.00 16.71 C ATOM 587 CE3 TRP A 34 15.859 9.772 16.209 1.00 17.51 C ATOM 588 CZ2 TRP A 34 17.751 11.151 14.633 1.00 23.07 C ATOM 589 CZ3 TRP A 34 15.874 9.607 14.809 1.00 23.60 C ATOM 590 CH2 TRP A 34 16.816 10.296 14.021 1.00 24.86 C ATOM 591 H TRP A 34 15.464 13.021 20.108 1.00 0.00 H ATOM 592 HA TRP A 34 14.361 10.903 18.372 1.00 0.00 H ATOM 593 HB3 TRP A 34 16.227 9.576 19.535 1.00 0.00 H ATOM 594 HB2 TRP A 34 16.686 11.052 20.350 1.00 0.00 H ATOM 595 HD1 TRP A 34 18.487 12.358 19.077 1.00 0.00 H ATOM 596 HE1 TRP A 34 19.232 12.678 16.660 1.00 0.00 H ATOM 597 HE3 TRP A 34 15.128 9.238 16.798 1.00 0.00 H ATOM 598 HZ2 TRP A 34 18.479 11.683 14.038 1.00 0.00 H ATOM 599 HZ3 TRP A 34 15.159 8.948 14.340 1.00 0.00 H ATOM 600 HH2 TRP A 34 16.822 10.167 12.948 1.00 0.00 H ATOM 601 N GLU A 35 13.408 11.085 21.438 1.00 12.38 N ATOM 602 CA GLU A 35 12.443 10.527 22.380 1.00 13.11 C ATOM 603 C GLU A 35 11.002 10.764 21.892 1.00 13.40 C ATOM 604 O GLU A 35 10.181 9.858 22.022 1.00 14.31 O ATOM 605 CB GLU A 35 12.619 11.218 23.755 1.00 13.51 C ATOM 606 CG GLU A 35 13.861 10.750 24.551 1.00 13.78 C ATOM 607 CD GLU A 35 13.844 9.296 25.039 1.00 15.30 C ATOM 608 OE1 GLU A 35 12.847 8.584 24.793 1.00 17.48 O ATOM 609 OE2 GLU A 35 14.861 8.908 25.653 1.00 19.70 O1- ATOM 610 H GLU A 35 13.733 12.028 21.600 1.00 0.00 H ATOM 611 HA GLU A 35 12.587 9.451 22.471 1.00 0.00 H ATOM 612 HB3 GLU A 35 11.741 11.053 24.377 1.00 0.00 H ATOM 613 HB2 GLU A 35 12.664 12.300 23.623 1.00 0.00 H ATOM 614 HG3 GLU A 35 13.983 11.391 25.424 1.00 0.00 H ATOM 615 HG2 GLU A 35 14.759 10.875 23.949 1.00 0.00 H ATOM 616 N SER A 36 10.687 11.942 21.323 1.00 13.52 N ATOM 617 CA SER A 36 9.307 12.360 21.044 1.00 13.25 C ATOM 618 C SER A 36 9.068 13.006 19.672 1.00 13.07 C ATOM 619 O SER A 36 7.910 13.136 19.275 1.00 15.89 O ATOM 620 CB SER A 36 8.808 13.245 22.199 1.00 13.02 C ATOM 621 OG SER A 36 9.353 14.547 22.097 1.00 13.33 O ATOM 622 H SER A 36 11.415 12.635 21.222 1.00 0.00 H ATOM 623 HA SER A 36 8.665 11.477 21.034 1.00 0.00 H ATOM 624 HB3 SER A 36 9.043 12.814 23.173 1.00 0.00 H ATOM 625 HB2 SER A 36 7.724 13.329 22.147 1.00 0.00 H ATOM 626 HG SER A 36 10.273 14.506 22.318 1.00 0.00 H ATOM 627 N GLY A 37 10.121 13.469 18.979 1.00 14.49 N ATOM 628 CA GLY A 37 9.993 14.314 17.790 1.00 14.62 C ATOM 629 C GLY A 37 9.546 15.750 18.108 1.00 12.70 C ATOM 630 O GLY A 37 8.975 16.408 17.240 1.00 16.12 O ATOM 631 H GLY A 37 11.052 13.307 19.335 1.00 0.00 H ATOM 632 HA3 GLY A 37 9.295 13.862 17.084 1.00 0.00 H ATOM 633 HA2 GLY A 37 10.956 14.365 17.283 1.00 0.00 H ATOM 634 N TYR A 38 9.760 16.204 19.358 1.00 12.50 N ATOM 635 CA TYR A 38 9.411 17.515 19.918 1.00 12.41 C ATOM 636 C TYR A 38 7.942 17.613 20.383 1.00 12.36 C ATOM 637 O TYR A 38 7.439 18.718 20.587 1.00 15.84 O ATOM 638 CB TYR A 38 9.859 18.702 19.030 1.00 13.48 C ATOM 639 CG TYR A 38 11.295 18.707 18.531 1.00 12.71 C ATOM 640 CD1 TYR A 38 12.367 18.417 19.401 1.00 13.92 C ATOM 641 CD2 TYR A 38 11.565 19.046 17.188 1.00 15.27 C ATOM 642 CE1 TYR A 38 13.693 18.489 18.938 1.00 14.18 C ATOM 643 CE2 TYR A 38 12.891 19.099 16.720 1.00 16.12 C ATOM 644 CZ TYR A 38 13.958 18.825 17.596 1.00 14.45 C ATOM 645 OH TYR A 38 15.245 18.887 17.146 1.00 16.66 O ATOM 646 H TYR A 38 10.215 15.566 19.996 1.00 0.00 H ATOM 647 HA TYR A 38 9.989 17.574 20.840 1.00 0.00 H ATOM 648 HB3 TYR A 38 9.750 19.618 19.602 1.00 0.00 H ATOM 649 HB2 TYR A 38 9.182 18.806 18.182 1.00 0.00 H ATOM 650 HD1 TYR A 38 12.182 18.157 20.432 1.00 0.00 H ATOM 651 HD2 TYR A 38 10.753 19.276 16.514 1.00 0.00 H ATOM 652 HE1 TYR A 38 14.504 18.287 19.619 1.00 0.00 H ATOM 653 HE2 TYR A 38 13.084 19.362 15.690 1.00 0.00 H ATOM 654 HH TYR A 38 15.304 19.116 16.232 1.00 0.00 H ATOM 655 N ASN A 39 7.253 16.468 20.529 1.00 13.71 N ATOM 656 CA ASN A 39 5.832 16.356 20.849 1.00 13.00 C ATOM 657 C ASN A 39 5.658 16.168 22.365 1.00 12.31 C ATOM 658 O ASN A 39 6.107 15.173 22.931 1.00 13.82 O ATOM 659 CB ASN A 39 5.298 15.109 20.101 1.00 14.34 C ATOM 660 CG ASN A 39 3.779 14.905 20.177 1.00 15.85 C ATOM 661 OD1 ASN A 39 3.024 15.817 20.513 1.00 15.88 O ATOM 662 ND2 ASN A 39 3.327 13.684 19.886 1.00 20.01 N ATOM 663 H ASN A 39 7.752 15.603 20.373 1.00 0.00 H ATOM 664 HA ASN A 39 5.298 17.240 20.506 1.00 0.00 H ATOM 665 HB3 ASN A 39 5.795 14.208 20.463 1.00 0.00 H ATOM 666 HB2 ASN A 39 5.557 15.187 19.044 1.00 0.00 H ATOM 667 HD22 ASN A 39 2.336 13.495 19.926 1.00 0.00 H ATOM 668 HD21 ASN A 39 3.973 12.956 19.620 1.00 0.00 H ATOM 669 N THR A 40 4.938 17.104 23.005 1.00 11.81 N ATOM 670 CA THR A 40 4.579 17.054 24.424 1.00 12.68 C ATOM 671 C THR A 40 3.457 16.042 24.721 1.00 12.56 C ATOM 672 O THR A 40 3.305 15.649 25.872 1.00 15.38 O ATOM 673 CB THR A 40 4.126 18.454 24.912 1.00 13.66 C ATOM 674 OG1 THR A 40 2.880 18.863 24.373 1.00 14.74 O ATOM 675 CG2 THR A 40 5.154 19.566 24.686 1.00 15.36 C ATOM 676 H THR A 40 4.590 17.891 22.472 1.00 0.00 H ATOM 677 HA THR A 40 5.458 16.756 24.997 1.00 0.00 H ATOM 678 HB THR A 40 3.978 18.372 25.988 1.00 0.00 H ATOM 679 HG1 THR A 40 2.518 19.519 24.952 1.00 0.00 H ATOM 680 HG21 THR A 40 4.820 20.492 25.154 1.00 0.00 H ATOM 681 HG22 THR A 40 6.116 19.303 25.122 1.00 0.00 H ATOM 682 HG23 THR A 40 5.311 19.765 23.626 1.00 0.00 H ATOM 683 N ARG A 41 2.679 15.618 23.711 1.00 13.38 N ATOM 684 CA ARG A 41 1.551 14.701 23.872 1.00 16.46 C ATOM 685 C ARG A 41 1.992 13.224 23.730 1.00 15.27 C ATOM 686 O ARG A 41 1.164 12.328 23.889 1.00 19.49 O ATOM 687 CB AARG A 41 0.523 15.029 22.765 0.50 17.28 C ATOM 688 CB BARG A 41 0.404 14.821 23.012 0.50 22.02 C ATOM 689 CG AARG A 41 -0.911 14.596 23.126 0.50 34.08 C ATOM 690 CG BARG A 41 0.422 13.915 21.782 0.50 26.26 C ATOM 691 CD AARG A 41 -1.871 14.554 21.926 0.50 39.13 C ATOM 692 CD BARG A 41 -0.248 12.591 22.038 0.50 43.32 C ATOM 693 NE AARG A 41 -2.550 13.252 21.868 0.50 41.14 N ATOM 694 NE BARG A 41 0.508 11.430 21.568 0.50 47.48 N ATOM 695 CZ AARG A 41 -3.643 12.898 22.564 0.50 39.71 C ATOM 696 CZ BARG A 41 0.547 10.269 22.215 0.50 46.49 C ATOM 697 NH1AARG A 41 -4.290 13.773 23.348 0.50 40.71 N ATOM 698 NH1BARG A 41 -0.229 10.057 23.275 0.50 39.83 N ATOM 699 NH2AARG A 41 -4.087 11.638 22.483 0.50 42.79 N1+ ATOM 700 NH2BARG A 41 1.362 9.292 21.816 0.50 40.93 N1+ ATOM 701 H ARG A 41 2.867 15.969 22.782 1.00 0.00 H ATOM 702 HA ARG A 41 1.091 14.848 24.851 1.00 0.00 H ATOM 703 HB3AARG A 41 0.834 14.566 21.827 0.50 0.00 H ATOM 704 HB3BARG A 41 0.402 15.864 22.694 0.50 0.00 H ATOM 705 HB2AARG A 41 0.507 16.102 22.571 0.50 0.00 H ATOM 706 HB2BARG A 41 -0.520 14.660 23.567 0.50 0.00 H ATOM 707 HG3AARG A 41 -1.304 15.281 23.878 0.50 0.00 H ATOM 708 HG3BARG A 41 1.453 13.745 21.472 0.50 0.00 H ATOM 709 HG2AARG A 41 -0.905 13.624 23.617 0.50 0.00 H ATOM 710 HG2BARG A 41 -0.076 14.419 20.953 0.50 0.00 H ATOM 711 HD3AARG A 41 -1.329 14.683 20.989 0.50 0.00 H ATOM 712 HD3BARG A 41 -1.235 12.590 21.576 0.50 0.00 H ATOM 713 HD2AARG A 41 -2.596 15.367 21.973 0.50 0.00 H ATOM 714 HD2BARG A 41 -0.445 12.486 23.105 0.50 0.00 H ATOM 715 HE AARG A 41 -2.091 12.548 21.308 0.50 0.00 H ATOM 716 HE BARG A 41 1.018 11.544 20.704 0.50 0.00 H ATOM 717 HH12AARG A 41 -5.108 13.492 23.870 0.50 0.00 H ATOM 718 HH12BARG A 41 -0.192 9.171 23.759 0.50 0.00 H ATOM 719 HH11AARG A 41 -3.961 14.725 23.419 0.50 0.00 H ATOM 720 HH11BARG A 41 -0.855 10.782 23.595 0.50 0.00 H ATOM 721 HH22AARG A 41 -4.904 11.348 23.001 0.50 0.00 H ATOM 722 HH22BARG A 41 1.382 8.415 22.316 0.50 0.00 H ATOM 723 HH21AARG A 41 -3.609 10.963 21.903 0.50 0.00 H ATOM 724 HH21BARG A 41 1.960 9.429 21.013 0.50 0.00 H ATOM 725 N ALA A 42 3.279 12.962 23.435 1.00 15.38 N ATOM 726 CA ALA A 42 3.849 11.635 23.212 1.00 15.24 C ATOM 727 C ALA A 42 3.748 10.743 24.459 1.00 14.57 C ATOM 728 O ALA A 42 4.084 11.171 25.564 1.00 14.15 O ATOM 729 CB ALA A 42 5.320 11.792 22.798 1.00 19.09 C ATOM 730 H ALA A 42 3.909 13.747 23.347 1.00 0.00 H ATOM 731 HA ALA A 42 3.303 11.168 22.390 1.00 0.00 H ATOM 732 HB1 ALA A 42 5.793 10.824 22.630 1.00 0.00 H ATOM 733 HB2 ALA A 42 5.405 12.359 21.872 1.00 0.00 H ATOM 734 HB3 ALA A 42 5.897 12.316 23.561 1.00 0.00 H ATOM 735 N THR A 43 3.296 9.499 24.252 1.00 16.63 N ATOM 736 CA THR A 43 3.202 8.437 25.250 1.00 16.63 C ATOM 737 C THR A 43 3.681 7.114 24.644 1.00 17.66 C ATOM 738 O THR A 43 3.430 6.833 23.471 1.00 23.52 O ATOM 739 CB THR A 43 1.802 8.356 25.912 1.00 21.44 C ATOM 740 OG1 THR A 43 0.799 8.029 24.968 1.00 28.38 O ATOM 741 CG2 THR A 43 1.388 9.607 26.697 1.00 24.72 C ATOM 742 H THR A 43 3.034 9.239 23.312 1.00 0.00 H ATOM 743 HA THR A 43 3.911 8.682 26.036 1.00 0.00 H ATOM 744 HB THR A 43 1.826 7.531 26.625 1.00 0.00 H ATOM 745 HG1 THR A 43 -0.019 7.913 25.426 1.00 0.00 H ATOM 746 HG21 THR A 43 0.447 9.449 27.225 1.00 0.00 H ATOM 747 HG22 THR A 43 2.144 9.851 27.443 1.00 0.00 H ATOM 748 HG23 THR A 43 1.261 10.472 26.046 1.00 0.00 H ATOM 749 N ASN A 44 4.352 6.301 25.468 1.00 17.38 N ATOM 750 CA ASN A 44 4.846 4.971 25.134 1.00 17.36 C ATOM 751 C ASN A 44 4.630 4.081 26.356 1.00 16.77 C ATOM 752 O ASN A 44 5.307 4.260 27.367 1.00 16.39 O ATOM 753 CB ASN A 44 6.318 5.067 24.668 1.00 21.27 C ATOM 754 CG ASN A 44 6.934 3.709 24.322 1.00 33.34 C ATOM 755 OD1 ASN A 44 6.485 3.038 23.395 1.00 40.32 O ATOM 756 ND2 ASN A 44 7.936 3.283 25.095 1.00 43.32 N ATOM 757 H ASN A 44 4.538 6.626 26.408 1.00 0.00 H ATOM 758 HA ASN A 44 4.254 4.560 24.313 1.00 0.00 H ATOM 759 HB3 ASN A 44 6.924 5.547 25.433 1.00 0.00 H ATOM 760 HB2 ASN A 44 6.387 5.703 23.785 1.00 0.00 H ATOM 761 HD22 ASN A 44 8.352 2.379 24.928 1.00 0.00 H ATOM 762 HD21 ASN A 44 8.261 3.849 25.872 1.00 0.00 H ATOM 763 N TYR A 45 3.714 3.107 26.244 1.00 20.06 N ATOM 764 CA TYR A 45 3.498 2.076 27.253 1.00 19.26 C ATOM 765 C TYR A 45 4.510 0.947 27.020 1.00 18.33 C ATOM 766 O TYR A 45 4.603 0.395 25.923 1.00 21.79 O ATOM 767 CB TYR A 45 2.071 1.505 27.111 1.00 21.83 C ATOM 768 CG TYR A 45 1.728 0.401 28.105 1.00 20.44 C ATOM 769 CD1 TYR A 45 1.833 0.641 29.490 1.00 22.19 C ATOM 770 CD2 TYR A 45 1.330 -0.874 27.652 1.00 22.96 C ATOM 771 CE1 TYR A 45 1.538 -0.373 30.418 1.00 21.20 C ATOM 772 CE2 TYR A 45 1.032 -1.891 28.579 1.00 22.77 C ATOM 773 CZ TYR A 45 1.137 -1.642 29.962 1.00 22.00 C ATOM 774 OH TYR A 45 0.853 -2.627 30.860 1.00 25.95 O ATOM 775 H TYR A 45 3.210 3.016 25.374 1.00 0.00 H ATOM 776 HA TYR A 45 3.621 2.501 28.251 1.00 0.00 H ATOM 777 HB3 TYR A 45 1.910 1.137 26.096 1.00 0.00 H ATOM 778 HB2 TYR A 45 1.347 2.308 27.253 1.00 0.00 H ATOM 779 HD1 TYR A 45 2.157 1.600 29.850 1.00 0.00 H ATOM 780 HD2 TYR A 45 1.256 -1.079 26.594 1.00 0.00 H ATOM 781 HE1 TYR A 45 1.624 -0.176 31.476 1.00 0.00 H ATOM 782 HE2 TYR A 45 0.730 -2.866 28.223 1.00 0.00 H ATOM 783 HH TYR A 45 0.592 -3.437 30.449 1.00 0.00 H ATOM 784 N ASN A 46 5.243 0.607 28.085 1.00 17.53 N ATOM 785 CA ASN A 46 6.195 -0.493 28.145 1.00 18.07 C ATOM 786 C ASN A 46 5.449 -1.662 28.799 1.00 16.83 C ATOM 787 O ASN A 46 5.259 -1.688 30.015 1.00 18.09 O ATOM 788 CB ASN A 46 7.393 -0.066 29.026 1.00 19.02 C ATOM 789 CG ASN A 46 8.132 1.149 28.456 1.00 21.80 C ATOM 790 OD1 ASN A 46 8.719 1.068 27.380 1.00 27.14 O ATOM 791 ND2 ASN A 46 8.067 2.285 29.152 1.00 24.42 N ATOM 792 H ASN A 46 5.085 1.109 28.950 1.00 0.00 H ATOM 793 HA ASN A 46 6.548 -0.776 27.151 1.00 0.00 H ATOM 794 HB3 ASN A 46 8.106 -0.887 29.116 1.00 0.00 H ATOM 795 HB2 ASN A 46 7.064 0.168 30.039 1.00 0.00 H ATOM 796 HD22 ASN A 46 8.507 3.121 28.778 1.00 0.00 H ATOM 797 HD21 ASN A 46 7.578 2.315 30.035 1.00 0.00 H ATOM 798 N ALA A 47 4.996 -2.617 27.972 1.00 19.59 N ATOM 799 CA ALA A 47 4.172 -3.756 28.381 1.00 23.80 C ATOM 800 C ALA A 47 4.929 -4.799 29.221 1.00 22.64 C ATOM 801 O ALA A 47 4.293 -5.552 29.959 1.00 24.61 O ATOM 802 CB ALA A 47 3.630 -4.435 27.113 1.00 27.76 C ATOM 803 H ALA A 47 5.175 -2.511 26.984 1.00 0.00 H ATOM 804 HA ALA A 47 3.337 -3.388 28.978 1.00 0.00 H ATOM 805 HB1 ALA A 47 2.981 -5.276 27.360 1.00 0.00 H ATOM 806 HB2 ALA A 47 3.040 -3.735 26.520 1.00 0.00 H ATOM 807 HB3 ALA A 47 4.435 -4.810 26.480 1.00 0.00 H ATOM 808 N GLY A 48 6.270 -4.826 29.134 1.00 19.99 N ATOM 809 CA GLY A 48 7.134 -5.764 29.842 1.00 22.07 C ATOM 810 C GLY A 48 7.286 -5.486 31.343 1.00 19.81 C ATOM 811 O GLY A 48 7.542 -6.426 32.094 1.00 24.08 O ATOM 812 H GLY A 48 6.716 -4.164 28.516 1.00 0.00 H ATOM 813 HA3 GLY A 48 8.124 -5.727 29.387 1.00 0.00 H ATOM 814 HA2 GLY A 48 6.765 -6.782 29.698 1.00 0.00 H ATOM 815 N ASP A 49 7.102 -4.228 31.783 1.00 18.77 N ATOM 816 CA ASP A 49 7.270 -3.800 33.176 1.00 20.35 C ATOM 817 C ASP A 49 6.069 -2.989 33.698 1.00 17.80 C ATOM 818 O ASP A 49 5.992 -2.749 34.900 1.00 21.18 O ATOM 819 CB ASP A 49 8.657 -3.128 33.370 1.00 20.26 C ATOM 820 CG ASP A 49 8.836 -1.707 32.810 1.00 24.33 C ATOM 821 OD1 ASP A 49 7.964 -1.250 32.040 1.00 19.65 O ATOM 822 OD2 ASP A 49 9.832 -1.072 33.217 1.00 32.10 O1- ATOM 823 H ASP A 49 6.904 -3.508 31.103 1.00 0.00 H ATOM 824 HA ASP A 49 7.275 -4.687 33.811 1.00 0.00 H ATOM 825 HB3 ASP A 49 9.433 -3.760 32.938 1.00 0.00 H ATOM 826 HB2 ASP A 49 8.877 -3.090 34.438 1.00 0.00 H ATOM 827 N ARG A 50 5.138 -2.573 32.822 1.00 19.86 N ATOM 828 CA ARG A 50 3.872 -1.892 33.122 1.00 19.68 C ATOM 829 C ARG A 50 4.017 -0.386 33.409 1.00 18.06 C ATOM 830 O ARG A 50 3.071 0.237 33.893 1.00 22.50 O ATOM 831 CB ARG A 50 2.987 -2.656 34.138 1.00 26.39 C ATOM 832 CG ARG A 50 2.634 -4.080 33.680 1.00 33.44 C ATOM 833 CD ARG A 50 1.814 -4.856 34.720 1.00 35.73 C ATOM 834 NE ARG A 50 2.627 -5.899 35.361 1.00 39.51 N ATOM 835 CZ ARG A 50 2.175 -7.045 35.897 1.00 35.58 C ATOM 836 NH1 ARG A 50 0.868 -7.347 35.910 1.00 54.84 N ATOM 837 NH2 ARG A 50 3.051 -7.904 36.432 1.00 33.65 N1+ ATOM 838 H ARG A 50 5.306 -2.768 31.844 1.00 0.00 H ATOM 839 HA ARG A 50 3.335 -1.920 32.174 1.00 0.00 H ATOM 840 HB3 ARG A 50 2.055 -2.111 34.291 1.00 0.00 H ATOM 841 HB2 ARG A 50 3.466 -2.690 35.116 1.00 0.00 H ATOM 842 HG3 ARG A 50 3.542 -4.633 33.436 1.00 0.00 H ATOM 843 HG2 ARG A 50 2.072 -4.028 32.749 1.00 0.00 H ATOM 844 HD3 ARG A 50 0.974 -5.330 34.212 1.00 0.00 H ATOM 845 HD2 ARG A 50 1.390 -4.198 35.480 1.00 0.00 H ATOM 846 HE ARG A 50 3.618 -5.706 35.412 1.00 0.00 H ATOM 847 HH12 ARG A 50 0.542 -8.212 36.317 1.00 0.00 H ATOM 848 HH11 ARG A 50 0.199 -6.704 35.512 1.00 0.00 H ATOM 849 HH22 ARG A 50 2.734 -8.772 36.840 1.00 0.00 H ATOM 850 HH21 ARG A 50 4.040 -7.698 36.424 1.00 0.00 H ATOM 851 N SER A 51 5.183 0.204 33.096 1.00 16.75 N ATOM 852 CA SER A 51 5.428 1.643 33.159 1.00 15.62 C ATOM 853 C SER A 51 5.037 2.310 31.828 1.00 15.04 C ATOM 854 O SER A 51 4.895 1.646 30.800 1.00 16.06 O ATOM 855 CB SER A 51 6.925 1.885 33.455 1.00 14.40 C ATOM 856 OG SER A 51 7.784 1.555 32.379 1.00 15.71 O ATOM 857 H SER A 51 5.908 -0.368 32.683 1.00 0.00 H ATOM 858 HA SER A 51 4.840 2.083 33.966 1.00 0.00 H ATOM 859 HB3 SER A 51 7.234 1.335 34.343 1.00 0.00 H ATOM 860 HB2 SER A 51 7.077 2.939 33.689 1.00 0.00 H ATOM 861 HG SER A 51 7.811 0.609 32.277 1.00 0.00 H ATOM 862 N THR A 52 4.884 3.640 31.865 1.00 13.80 N ATOM 863 CA THR A 52 4.601 4.491 30.716 1.00 11.94 C ATOM 864 C THR A 52 5.603 5.651 30.735 1.00 12.46 C ATOM 865 O THR A 52 5.834 6.260 31.778 1.00 13.36 O ATOM 866 CB THR A 52 3.129 4.974 30.740 1.00 13.80 C ATOM 867 OG1 THR A 52 2.240 3.881 30.688 1.00 15.81 O ATOM 868 CG2 THR A 52 2.752 5.885 29.556 1.00 13.89 C ATOM 869 H THR A 52 5.039 4.113 32.746 1.00 0.00 H ATOM 870 HA THR A 52 4.765 3.927 29.799 1.00 0.00 H ATOM 871 HB THR A 52 2.931 5.484 31.679 1.00 0.00 H ATOM 872 HG1 THR A 52 1.358 4.217 30.681 1.00 0.00 H ATOM 873 HG21 THR A 52 1.697 6.157 29.587 1.00 0.00 H ATOM 874 HG22 THR A 52 3.318 6.816 29.564 1.00 0.00 H ATOM 875 HG23 THR A 52 2.939 5.393 28.601 1.00 0.00 H ATOM 876 N ASP A 53 6.165 5.968 29.564 1.00 12.43 N ATOM 877 CA ASP A 53 7.006 7.135 29.315 1.00 12.59 C ATOM 878 C ASP A 53 6.109 8.273 28.816 1.00 12.09 C ATOM 879 O ASP A 53 5.260 8.052 27.953 1.00 13.31 O ATOM 880 CB ASP A 53 8.022 6.800 28.208 1.00 14.50 C ATOM 881 CG ASP A 53 8.905 5.592 28.522 1.00 17.20 C ATOM 882 OD1 ASP A 53 9.473 5.571 29.636 1.00 20.85 O ATOM 883 OD2 ASP A 53 8.977 4.696 27.654 1.00 22.38 O1- ATOM 884 H ASP A 53 5.929 5.403 28.757 1.00 0.00 H ATOM 885 HA ASP A 53 7.534 7.437 30.219 1.00 0.00 H ATOM 886 HB3 ASP A 53 8.667 7.655 28.042 1.00 0.00 H ATOM 887 HB2 ASP A 53 7.504 6.612 27.270 1.00 0.00 H ATOM 888 N TYR A 54 6.283 9.473 29.387 1.00 12.07 N ATOM 889 CA TYR A 54 5.410 10.629 29.198 1.00 11.10 C ATOM 890 C TYR A 54 6.184 11.856 28.716 1.00 11.14 C ATOM 891 O TYR A 54 7.228 12.202 29.270 1.00 11.73 O ATOM 892 CB TYR A 54 4.729 10.964 30.535 1.00 13.10 C ATOM 893 CG TYR A 54 3.634 10.006 30.944 1.00 11.22 C ATOM 894 CD1 TYR A 54 3.908 8.934 31.815 1.00 13.36 C ATOM 895 CD2 TYR A 54 2.321 10.216 30.480 1.00 13.72 C ATOM 896 CE1 TYR A 54 2.860 8.092 32.236 1.00 12.26 C ATOM 897 CE2 TYR A 54 1.281 9.360 30.880 1.00 13.52 C ATOM 898 CZ TYR A 54 1.553 8.297 31.758 1.00 12.36 C ATOM 899 OH TYR A 54 0.544 7.463 32.133 1.00 13.90 O ATOM 900 H TYR A 54 7.005 9.562 30.090 1.00 0.00 H ATOM 901 HA TYR A 54 4.635 10.413 28.459 1.00 0.00 H ATOM 902 HB3 TYR A 54 4.276 11.955 30.482 1.00 0.00 H ATOM 903 HB2 TYR A 54 5.471 11.020 31.333 1.00 0.00 H ATOM 904 HD1 TYR A 54 4.910 8.775 32.186 1.00 0.00 H ATOM 905 HD2 TYR A 54 2.113 11.042 29.821 1.00 0.00 H ATOM 906 HE1 TYR A 54 3.056 7.287 32.925 1.00 0.00 H ATOM 907 HE2 TYR A 54 0.279 9.524 30.513 1.00 0.00 H ATOM 908 HH TYR A 54 -0.290 7.722 31.773 1.00 0.00 H ATOM 909 N GLY A 55 5.597 12.566 27.745 1.00 12.01 N ATOM 910 CA GLY A 55 5.982 13.913 27.363 1.00 11.22 C ATOM 911 C GLY A 55 7.107 14.001 26.338 1.00 11.31 C ATOM 912 O GLY A 55 7.491 13.013 25.711 1.00 11.64 O ATOM 913 H GLY A 55 4.765 12.191 27.310 1.00 0.00 H ATOM 914 HA3 GLY A 55 6.265 14.482 28.251 1.00 0.00 H ATOM 915 HA2 GLY A 55 5.106 14.398 26.948 1.00 0.00 H ATOM 916 N ILE A 56 7.620 15.230 26.183 1.00 11.13 N ATOM 917 CA ILE A 56 8.656 15.626 25.230 1.00 11.06 C ATOM 918 C ILE A 56 10.033 14.978 25.503 1.00 10.21 C ATOM 919 O ILE A 56 10.829 14.830 24.577 1.00 12.58 O ATOM 920 CB ILE A 56 8.723 17.179 25.199 1.00 12.23 C ATOM 921 CG1 ILE A 56 9.492 17.705 23.967 1.00 12.28 C ATOM 922 CG2 ILE A 56 9.256 17.804 26.507 1.00 13.92 C ATOM 923 CD1 ILE A 56 9.155 19.158 23.609 1.00 18.90 C ATOM 924 H ILE A 56 7.229 15.969 26.749 1.00 0.00 H ATOM 925 HA ILE A 56 8.313 15.278 24.260 1.00 0.00 H ATOM 926 HB ILE A 56 7.695 17.520 25.081 1.00 0.00 H ATOM 927 HG13 ILE A 56 9.246 17.089 23.104 1.00 0.00 H ATOM 928 HG12 ILE A 56 10.566 17.601 24.117 1.00 0.00 H ATOM 929 HG21 ILE A 56 9.134 18.887 26.508 1.00 0.00 H ATOM 930 HG22 ILE A 56 8.727 17.426 27.382 1.00 0.00 H ATOM 931 HG23 ILE A 56 10.318 17.600 26.647 1.00 0.00 H ATOM 932 HD11 ILE A 56 9.669 19.459 22.697 1.00 0.00 H ATOM 933 HD12 ILE A 56 8.086 19.283 23.434 1.00 0.00 H ATOM 934 HD13 ILE A 56 9.449 19.849 24.398 1.00 0.00 H ATOM 935 N PHE A 57 10.298 14.569 26.754 1.00 10.80 N ATOM 936 CA PHE A 57 11.528 13.896 27.169 1.00 11.58 C ATOM 937 C PHE A 57 11.313 12.399 27.447 1.00 12.60 C ATOM 938 O PHE A 57 12.303 11.705 27.661 1.00 14.93 O ATOM 939 CB PHE A 57 12.055 14.578 28.449 1.00 13.21 C ATOM 940 CG PHE A 57 12.532 16.008 28.258 1.00 13.29 C ATOM 941 CD1 PHE A 57 13.536 16.302 27.310 1.00 15.83 C ATOM 942 CD2 PHE A 57 11.982 17.049 29.037 1.00 17.07 C ATOM 943 CE1 PHE A 57 13.988 17.625 27.142 1.00 21.11 C ATOM 944 CE2 PHE A 57 12.436 18.372 28.872 1.00 22.69 C ATOM 945 CZ PHE A 57 13.440 18.658 27.927 1.00 22.40 C ATOM 946 H PHE A 57 9.597 14.728 27.463 1.00 0.00 H ATOM 947 HA PHE A 57 12.291 13.955 26.391 1.00 0.00 H ATOM 948 HB3 PHE A 57 12.901 14.020 28.856 1.00 0.00 H ATOM 949 HB2 PHE A 57 11.284 14.559 29.220 1.00 0.00 H ATOM 950 HD1 PHE A 57 13.971 15.515 26.712 1.00 0.00 H ATOM 951 HD2 PHE A 57 11.216 16.838 29.769 1.00 0.00 H ATOM 952 HE1 PHE A 57 14.761 17.845 26.421 1.00 0.00 H ATOM 953 HE2 PHE A 57 12.017 19.163 29.475 1.00 0.00 H ATOM 954 HZ PHE A 57 13.800 19.667 27.810 1.00 0.00 H ATOM 955 N GLN A 58 10.061 11.895 27.451 1.00 11.15 N ATOM 956 CA GLN A 58 9.690 10.484 27.657 1.00 11.59 C ATOM 957 C GLN A 58 10.126 9.977 29.042 1.00 12.28 C ATOM 958 O GLN A 58 10.820 8.968 29.172 1.00 16.38 O ATOM 959 CB GLN A 58 10.182 9.598 26.488 1.00 12.66 C ATOM 960 CG GLN A 58 9.403 9.811 25.180 1.00 12.90 C ATOM 961 CD GLN A 58 7.977 9.260 25.228 1.00 13.93 C ATOM 962 OE1 GLN A 58 7.766 8.057 25.115 1.00 15.93 O ATOM 963 NE2 GLN A 58 6.990 10.141 25.378 1.00 13.81 N ATOM 964 H GLN A 58 9.302 12.530 27.248 1.00 0.00 H ATOM 965 HA GLN A 58 8.602 10.447 27.678 1.00 0.00 H ATOM 966 HB3 GLN A 58 10.139 8.539 26.737 1.00 0.00 H ATOM 967 HB2 GLN A 58 11.237 9.787 26.313 1.00 0.00 H ATOM 968 HG3 GLN A 58 9.928 9.264 24.401 1.00 0.00 H ATOM 969 HG2 GLN A 58 9.401 10.862 24.886 1.00 0.00 H ATOM 970 HE22 GLN A 58 6.033 9.820 25.422 1.00 0.00 H ATOM 971 HE21 GLN A 58 7.197 11.129 25.459 1.00 0.00 H ATOM 972 N ILE A 59 9.740 10.731 30.079 1.00 11.14 N ATOM 973 CA ILE A 59 10.067 10.499 31.480 1.00 12.69 C ATOM 974 C ILE A 59 9.160 9.374 32.012 1.00 11.92 C ATOM 975 O ILE A 59 7.933 9.455 31.921 1.00 12.81 O ATOM 976 CB ILE A 59 9.864 11.847 32.226 1.00 12.88 C ATOM 977 CG1 ILE A 59 10.982 12.848 31.840 1.00 16.58 C ATOM 978 CG2 ILE A 59 9.787 11.706 33.755 1.00 15.82 C ATOM 979 CD1 ILE A 59 10.689 14.311 32.203 1.00 20.06 C ATOM 980 H ILE A 59 9.154 11.530 29.877 1.00 0.00 H ATOM 981 HA ILE A 59 11.112 10.194 31.569 1.00 0.00 H ATOM 982 HB ILE A 59 8.916 12.264 31.891 1.00 0.00 H ATOM 983 HG13 ILE A 59 11.161 12.807 30.766 1.00 0.00 H ATOM 984 HG12 ILE A 59 11.922 12.542 32.302 1.00 0.00 H ATOM 985 HG21 ILE A 59 9.587 12.667 34.219 1.00 0.00 H ATOM 986 HG22 ILE A 59 8.977 11.053 34.079 1.00 0.00 H ATOM 987 HG23 ILE A 59 10.725 11.323 34.156 1.00 0.00 H ATOM 988 HD11 ILE A 59 11.481 14.964 31.836 1.00 0.00 H ATOM 989 HD12 ILE A 59 9.752 14.649 31.758 1.00 0.00 H ATOM 990 HD13 ILE A 59 10.625 14.460 33.279 1.00 0.00 H ATOM 991 N ASN A 60 9.800 8.322 32.546 1.00 13.13 N ATOM 992 CA ASN A 60 9.187 7.060 32.950 1.00 12.23 C ATOM 993 C ASN A 60 8.493 7.186 34.317 1.00 12.37 C ATOM 994 O ASN A 60 8.999 7.823 35.242 1.00 15.10 O ATOM 995 CB ASN A 60 10.313 6.006 33.037 1.00 14.92 C ATOM 996 CG ASN A 60 9.766 4.581 33.135 1.00 15.27 C ATOM 997 OD1 ASN A 60 9.665 4.029 34.227 1.00 18.11 O ATOM 998 ND2 ASN A 60 9.405 3.989 31.997 1.00 18.70 N ATOM 999 H ASN A 60 10.808 8.360 32.579 1.00 0.00 H ATOM 1000 HA ASN A 60 8.466 6.765 32.187 1.00 0.00 H ATOM 1001 HB3 ASN A 60 10.972 6.201 33.885 1.00 0.00 H ATOM 1002 HB2 ASN A 60 10.942 6.060 32.147 1.00 0.00 H ATOM 1003 HD22 ASN A 60 9.021 3.052 32.019 1.00 0.00 H ATOM 1004 HD21 ASN A 60 9.493 4.489 31.115 1.00 0.00 H ATOM 1005 N SER A 61 7.328 6.536 34.426 1.00 12.35 N ATOM 1006 CA SER A 61 6.420 6.601 35.563 1.00 12.09 C ATOM 1007 C SER A 61 6.700 5.586 36.691 1.00 13.49 C ATOM 1008 O SER A 61 5.954 5.576 37.671 1.00 15.29 O ATOM 1009 CB SER A 61 5.003 6.388 35.015 1.00 14.79 C ATOM 1010 OG SER A 61 4.815 5.090 34.491 1.00 13.83 O ATOM 1011 H SER A 61 6.986 6.042 33.612 1.00 0.00 H ATOM 1012 HA SER A 61 6.480 7.603 35.983 1.00 0.00 H ATOM 1013 HB3 SER A 61 4.799 7.121 34.237 1.00 0.00 H ATOM 1014 HB2 SER A 61 4.271 6.563 35.804 1.00 0.00 H ATOM 1015 HG SER A 61 3.900 5.012 34.260 1.00 0.00 H ATOM 1016 N ARG A 62 7.760 4.763 36.603 1.00 15.46 N ATOM 1017 CA ARG A 62 8.212 3.946 37.734 1.00 16.61 C ATOM 1018 C ARG A 62 9.124 4.754 38.671 1.00 16.86 C ATOM 1019 O ARG A 62 9.152 4.473 39.866 1.00 26.96 O ATOM 1020 CB ARG A 62 8.983 2.706 37.226 1.00 19.91 C ATOM 1021 CG ARG A 62 9.544 1.821 38.362 1.00 26.96 C ATOM 1022 CD ARG A 62 9.832 0.382 37.937 1.00 41.99 C ATOM 1023 NE ARG A 62 8.615 -0.429 38.070 1.00 38.78 N ATOM 1024 CZ ARG A 62 7.873 -0.922 37.067 1.00 40.02 C ATOM 1025 NH1 ARG A 62 8.200 -0.723 35.788 1.00 45.48 N ATOM 1026 NH2 ARG A 62 6.774 -1.626 37.350 1.00 51.32 N1+ ATOM 1027 H ARG A 62 8.329 4.777 35.766 1.00 0.00 H ATOM 1028 HA ARG A 62 7.358 3.598 38.317 1.00 0.00 H ATOM 1029 HB3 ARG A 62 9.805 3.001 36.575 1.00 0.00 H ATOM 1030 HB2 ARG A 62 8.307 2.114 36.609 1.00 0.00 H ATOM 1031 HG3 ARG A 62 8.836 1.804 39.193 1.00 0.00 H ATOM 1032 HG2 ARG A 62 10.457 2.264 38.762 1.00 0.00 H ATOM 1033 HD3 ARG A 62 10.573 -0.046 38.612 1.00 0.00 H ATOM 1034 HD2 ARG A 62 10.267 0.336 36.939 1.00 0.00 H ATOM 1035 HE ARG A 62 8.294 -0.588 39.016 1.00 0.00 H ATOM 1036 HH12 ARG A 62 7.629 -1.114 35.053 1.00 0.00 H ATOM 1037 HH11 ARG A 62 9.046 -0.229 35.536 1.00 0.00 H ATOM 1038 HH22 ARG A 62 6.237 -2.045 36.598 1.00 0.00 H ATOM 1039 HH21 ARG A 62 6.461 -1.712 38.307 1.00 0.00 H ATOM 1040 N TYR A 63 9.877 5.732 38.148 1.00 17.34 N ATOM 1041 CA TYR A 63 10.951 6.386 38.891 1.00 17.97 C ATOM 1042 C TYR A 63 10.676 7.869 39.152 1.00 16.02 C ATOM 1043 O TYR A 63 11.143 8.379 40.169 1.00 19.73 O ATOM 1044 CB TYR A 63 12.264 6.203 38.106 1.00 25.58 C ATOM 1045 CG TYR A 63 12.669 4.749 37.933 1.00 28.37 C ATOM 1046 CD1 TYR A 63 13.071 3.987 39.051 1.00 32.48 C ATOM 1047 CD2 TYR A 63 12.603 4.142 36.662 1.00 34.89 C ATOM 1048 CE1 TYR A 63 13.394 2.625 38.900 1.00 37.71 C ATOM 1049 CE2 TYR A 63 12.929 2.780 36.510 1.00 35.23 C ATOM 1050 CZ TYR A 63 13.321 2.020 37.630 1.00 35.13 C ATOM 1051 OH TYR A 63 13.622 0.697 37.488 1.00 45.56 O ATOM 1052 H TYR A 63 9.799 5.926 37.161 1.00 0.00 H ATOM 1053 HA TYR A 63 11.097 5.922 39.867 1.00 0.00 H ATOM 1054 HB3 TYR A 63 13.080 6.724 38.609 1.00 0.00 H ATOM 1055 HB2 TYR A 63 12.172 6.661 37.123 1.00 0.00 H ATOM 1056 HD1 TYR A 63 13.118 4.442 40.030 1.00 0.00 H ATOM 1057 HD2 TYR A 63 12.286 4.711 35.800 1.00 0.00 H ATOM 1058 HE1 TYR A 63 13.692 2.044 39.760 1.00 0.00 H ATOM 1059 HE2 TYR A 63 12.865 2.322 35.534 1.00 0.00 H ATOM 1060 HH TYR A 63 13.571 0.398 36.593 1.00 0.00 H ATOM 1061 N TRP A 64 9.951 8.563 38.258 1.00 13.82 N ATOM 1062 CA TRP A 64 9.984 10.024 38.164 1.00 13.15 C ATOM 1063 C TRP A 64 8.629 10.685 38.417 1.00 11.80 C ATOM 1064 O TRP A 64 8.549 11.553 39.282 1.00 15.36 O ATOM 1065 CB TRP A 64 10.593 10.419 36.809 1.00 13.45 C ATOM 1066 CG TRP A 64 11.967 9.869 36.578 1.00 14.00 C ATOM 1067 CD1 TRP A 64 12.322 8.980 35.622 1.00 16.69 C ATOM 1068 CD2 TRP A 64 13.170 10.115 37.365 1.00 15.23 C ATOM 1069 NE1 TRP A 64 13.649 8.637 35.784 1.00 17.44 N ATOM 1070 CE2 TRP A 64 14.218 9.288 36.860 1.00 15.85 C ATOM 1071 CE3 TRP A 64 13.481 10.955 38.460 1.00 16.08 C ATOM 1072 CZ2 TRP A 64 15.501 9.272 37.434 1.00 17.87 C ATOM 1073 CZ3 TRP A 64 14.761 10.945 39.047 1.00 17.34 C ATOM 1074 CH2 TRP A 64 15.766 10.103 38.538 1.00 18.86 C ATOM 1075 H TRP A 64 9.559 8.067 37.469 1.00 0.00 H ATOM 1076 HA TRP A 64 10.648 10.431 38.929 1.00 0.00 H ATOM 1077 HB3 TRP A 64 10.649 11.503 36.722 1.00 0.00 H ATOM 1078 HB2 TRP A 64 9.941 10.080 36.007 1.00 0.00 H ATOM 1079 HD1 TRP A 64 11.647 8.578 34.880 1.00 0.00 H ATOM 1080 HE1 TRP A 64 14.119 7.975 35.182 1.00 0.00 H ATOM 1081 HE3 TRP A 64 12.722 11.614 38.854 1.00 0.00 H ATOM 1082 HZ2 TRP A 64 16.276 8.639 37.028 1.00 0.00 H ATOM 1083 HZ3 TRP A 64 14.975 11.589 39.887 1.00 0.00 H ATOM 1084 HH2 TRP A 64 16.749 10.113 38.980 1.00 0.00 H ATOM 1085 N CYS A 65 7.570 10.267 37.712 1.00 14.31 N ATOM 1086 CA CYS A 65 6.210 10.784 37.877 1.00 12.60 C ATOM 1087 C CYS A 65 5.279 9.652 38.333 1.00 14.32 C ATOM 1088 O CYS A 65 5.575 8.479 38.113 1.00 14.95 O ATOM 1089 CB CYS A 65 5.760 11.473 36.571 1.00 13.50 C ATOM 1090 SG CYS A 65 5.533 10.417 35.107 1.00 14.34 S ATOM 1091 H CYS A 65 7.701 9.531 37.033 1.00 0.00 H ATOM 1092 HA CYS A 65 6.185 11.546 38.656 1.00 0.00 H ATOM 1093 HB3 CYS A 65 6.495 12.236 36.313 1.00 0.00 H ATOM 1094 HB2 CYS A 65 4.831 12.014 36.746 1.00 0.00 H ATOM 1095 N ASN A 66 4.148 9.998 38.962 1.00 13.49 N ATOM 1096 CA ASN A 66 3.105 9.051 39.355 1.00 12.07 C ATOM 1097 C ASN A 66 1.942 9.153 38.360 1.00 13.15 C ATOM 1098 O ASN A 66 1.498 10.250 38.027 1.00 12.75 O ATOM 1099 CB ASN A 66 2.602 9.436 40.765 1.00 15.96 C ATOM 1100 CG ASN A 66 1.582 8.450 41.347 1.00 19.44 C ATOM 1101 OD1 ASN A 66 1.785 7.239 41.303 1.00 21.93 O ATOM 1102 ND2 ASN A 66 0.458 8.963 41.849 1.00 22.57 N ATOM 1103 H ASN A 66 3.972 10.980 39.134 1.00 0.00 H ATOM 1104 HA ASN A 66 3.491 8.029 39.375 1.00 0.00 H ATOM 1105 HB3 ASN A 66 2.198 10.451 40.771 1.00 0.00 H ATOM 1106 HB2 ASN A 66 3.442 9.435 41.453 1.00 0.00 H ATOM 1107 HD22 ASN A 66 -0.243 8.347 42.234 1.00 0.00 H ATOM 1108 HD21 ASN A 66 0.314 9.963 41.850 1.00 0.00 H ATOM 1109 N HIS A 67 1.406 7.992 37.955 1.00 12.42 N ATOM 1110 CA HIS A 67 0.154 7.866 37.208 1.00 13.42 C ATOM 1111 C HIS A 67 -0.805 6.837 37.822 1.00 13.40 C ATOM 1112 O HIS A 67 -1.855 6.559 37.244 1.00 16.86 O ATOM 1113 CB HIS A 67 0.405 7.738 35.694 1.00 0.00 C ATOM 1114 CG HIS A 67 0.604 6.363 35.114 1.00 0.00 C ATOM 1115 ND1 HIS A 67 1.817 5.670 35.126 1.00 0.00 N ATOM 1116 CD2 HIS A 67 -0.322 5.618 34.423 1.00 0.00 C ATOM 1117 CE1 HIS A 67 1.591 4.586 34.393 1.00 0.00 C ATOM 1118 NE2 HIS A 67 0.344 4.501 33.956 1.00 0.00 N ATOM 1119 HB2 HIS A 67 -0.458 8.162 35.179 1.00 0.00 H ATOM 1120 HB3 HIS A 67 1.245 8.353 35.388 1.00 0.00 H ATOM 1121 HD2 HIS A 67 -1.355 5.835 34.201 1.00 0.00 H ATOM 1122 HE1 HIS A 67 2.337 3.850 34.137 1.00 0.00 H ATOM 1123 HE2 HIS A 67 -0.026 3.755 33.385 1.00 0.00 H ATOM 1124 H HIS A 67 1.856 7.135 38.245 1.00 0.00 H ATOM 1125 HA HIS A 67 -0.390 8.805 37.332 1.00 0.00 H ATOM 1126 N GLY A 68 -0.465 6.310 39.010 1.00 13.31 N ATOM 1127 CA GLY A 68 -1.322 5.496 39.863 1.00 14.71 C ATOM 1128 C GLY A 68 -1.493 4.026 39.459 1.00 17.90 C ATOM 1129 O GLY A 68 -2.112 3.288 40.225 1.00 27.90 O ATOM 1130 H GLY A 68 0.414 6.600 39.415 1.00 0.00 H ATOM 1131 HA3 GLY A 68 -2.310 5.957 39.926 1.00 0.00 H ATOM 1132 HA2 GLY A 68 -0.907 5.526 40.870 1.00 0.00 H ATOM 1133 N LYS A 69 -0.951 3.588 38.308 1.00 18.83 N ATOM 1134 CA LYS A 69 -1.089 2.223 37.787 1.00 17.60 C ATOM 1135 C LYS A 69 0.243 1.549 37.413 1.00 18.43 C ATOM 1136 O LYS A 69 0.211 0.471 36.821 1.00 23.74 O ATOM 1137 CB LYS A 69 -2.209 2.115 36.716 1.00 20.00 C ATOM 1138 CG LYS A 69 -1.871 2.759 35.359 1.00 19.72 C ATOM 1139 CD LYS A 69 -2.829 2.381 34.213 1.00 28.11 C ATOM 1140 CE LYS A 69 -2.307 2.708 32.797 1.00 40.33 C ATOM 1141 NZ LYS A 69 -2.488 4.124 32.432 1.00 48.89 N1+ ATOM 1142 H LYS A 69 -0.463 4.256 37.731 1.00 0.00 H ATOM 1143 HA LYS A 69 -1.432 1.590 38.607 1.00 0.00 H ATOM 1144 HB3 LYS A 69 -3.136 2.541 37.104 1.00 0.00 H ATOM 1145 HB2 LYS A 69 -2.422 1.057 36.556 1.00 0.00 H ATOM 1146 HG3 LYS A 69 -0.866 2.455 35.070 1.00 0.00 H ATOM 1147 HG2 LYS A 69 -1.867 3.838 35.492 1.00 0.00 H ATOM 1148 HD3 LYS A 69 -3.812 2.824 34.378 1.00 0.00 H ATOM 1149 HD2 LYS A 69 -2.983 1.301 34.254 1.00 0.00 H ATOM 1150 HE3 LYS A 69 -2.861 2.117 32.069 1.00 0.00 H ATOM 1151 HE2 LYS A 69 -1.260 2.425 32.690 1.00 0.00 H ATOM 1152 HZ1 LYS A 69 -2.166 4.274 31.486 1.00 0.00 H ATOM 1153 HZ2 LYS A 69 -3.468 4.363 32.491 1.00 0.00 H ATOM 1154 HZ3 LYS A 69 -1.961 4.708 33.065 1.00 0.00 H ATOM 1155 N THR A 70 1.400 2.134 37.782 1.00 17.05 N ATOM 1156 CA THR A 70 2.711 1.484 37.659 1.00 18.01 C ATOM 1157 C THR A 70 3.042 0.831 39.015 1.00 19.16 C ATOM 1158 O THR A 70 3.117 1.551 40.014 1.00 22.32 O ATOM 1159 CB THR A 70 3.818 2.528 37.372 1.00 17.38 C ATOM 1160 OG1 THR A 70 3.534 3.128 36.141 1.00 16.08 O ATOM 1161 CG2 THR A 70 5.215 1.907 37.191 1.00 18.56 C ATOM 1162 H THR A 70 1.364 3.019 38.268 1.00 0.00 H ATOM 1163 HA THR A 70 2.706 0.774 36.833 1.00 0.00 H ATOM 1164 HB THR A 70 3.846 3.312 38.129 1.00 0.00 H ATOM 1165 HG1 THR A 70 4.183 3.798 35.975 1.00 0.00 H ATOM 1166 HG21 THR A 70 5.906 2.623 36.750 1.00 0.00 H ATOM 1167 HG22 THR A 70 5.643 1.589 38.141 1.00 0.00 H ATOM 1168 HG23 THR A 70 5.187 1.041 36.528 1.00 0.00 H ATOM 1169 N PRO A 71 3.283 -0.500 39.072 1.00 20.91 N ATOM 1170 CA PRO A 71 3.810 -1.189 40.263 1.00 23.96 C ATOM 1171 C PRO A 71 5.188 -0.638 40.683 1.00 23.90 C ATOM 1172 O PRO A 71 6.049 -0.423 39.830 1.00 25.80 O ATOM 1173 CB PRO A 71 3.965 -2.665 39.850 1.00 25.33 C ATOM 1174 CG PRO A 71 3.144 -2.842 38.584 1.00 29.02 C ATOM 1175 CD PRO A 71 2.972 -1.445 37.998 1.00 23.02 C ATOM 1176 HA PRO A 71 3.087 -1.094 41.075 1.00 0.00 H ATOM 1177 HB3 PRO A 71 3.638 -3.342 40.640 1.00 0.00 H ATOM 1178 HB2 PRO A 71 5.002 -2.922 39.626 1.00 0.00 H ATOM 1179 HG3 PRO A 71 2.164 -3.241 38.849 1.00 0.00 H ATOM 1180 HG2 PRO A 71 3.598 -3.539 37.878 1.00 0.00 H ATOM 1181 HD2 PRO A 71 3.678 -1.295 37.179 1.00 0.00 H ATOM 1182 HD3 PRO A 71 1.963 -1.315 37.609 1.00 0.00 H ATOM 1183 N GLY A 72 5.408 -0.433 41.990 1.00 31.25 N ATOM 1184 CA GLY A 72 6.695 -0.008 42.544 1.00 31.98 C ATOM 1185 C GLY A 72 7.113 1.428 42.187 1.00 28.73 C ATOM 1186 O GLY A 72 8.309 1.694 42.077 1.00 39.18 O ATOM 1187 H GLY A 72 4.661 -0.622 42.643 1.00 0.00 H ATOM 1188 HA3 GLY A 72 7.475 -0.700 42.221 1.00 0.00 H ATOM 1189 HA2 GLY A 72 6.643 -0.087 43.630 1.00 0.00 H ATOM 1190 N ALA A 73 6.138 2.332 41.976 1.00 25.80 N ATOM 1191 CA ALA A 73 6.347 3.735 41.620 1.00 26.10 C ATOM 1192 C ALA A 73 6.974 4.530 42.779 1.00 24.83 C ATOM 1193 O ALA A 73 6.522 4.424 43.920 1.00 28.55 O ATOM 1194 CB ALA A 73 4.997 4.361 41.240 1.00 30.47 C ATOM 1195 H ALA A 73 5.181 2.024 42.071 1.00 0.00 H ATOM 1196 HA ALA A 73 6.991 3.766 40.745 1.00 0.00 H ATOM 1197 HB1 ALA A 73 5.111 5.409 40.960 1.00 0.00 H ATOM 1198 HB2 ALA A 73 4.558 3.848 40.386 1.00 0.00 H ATOM 1199 HB3 ALA A 73 4.281 4.312 42.062 1.00 0.00 H ATOM 1200 N VAL A 74 8.019 5.315 42.473 1.00 25.08 N ATOM 1201 CA VAL A 74 8.805 6.098 43.432 1.00 27.99 C ATOM 1202 C VAL A 74 8.324 7.561 43.453 1.00 23.91 C ATOM 1203 O VAL A 74 8.184 8.125 44.538 1.00 27.27 O ATOM 1204 CB VAL A 74 10.305 6.025 43.021 1.00 26.11 C ATOM 1205 CG1 VAL A 74 11.233 6.912 43.878 1.00 30.20 C ATOM 1206 CG2 VAL A 74 10.826 4.574 43.046 1.00 34.73 C ATOM 1207 H VAL A 74 8.347 5.303 41.516 1.00 0.00 H ATOM 1208 HA VAL A 74 8.697 5.685 44.437 1.00 0.00 H ATOM 1209 HB VAL A 74 10.392 6.381 41.995 1.00 0.00 H ATOM 1210 HG11 VAL A 74 12.276 6.783 43.585 1.00 0.00 H ATOM 1211 HG12 VAL A 74 11.010 7.973 43.767 1.00 0.00 H ATOM 1212 HG13 VAL A 74 11.153 6.661 44.936 1.00 0.00 H ATOM 1213 HG21 VAL A 74 11.873 4.528 42.744 1.00 0.00 H ATOM 1214 HG22 VAL A 74 10.749 4.144 44.045 1.00 0.00 H ATOM 1215 HG23 VAL A 74 10.273 3.928 42.364 1.00 0.00 H ATOM 1216 N ASN A 75 8.097 8.174 42.274 1.00 22.30 N ATOM 1217 CA ASN A 75 7.642 9.557 42.070 1.00 17.58 C ATOM 1218 C ASN A 75 8.683 10.570 42.599 1.00 16.17 C ATOM 1219 O ASN A 75 8.375 11.396 43.459 1.00 16.46 O ATOM 1220 CB ASN A 75 6.212 9.763 42.642 1.00 17.90 C ATOM 1221 CG ASN A 75 5.545 11.077 42.210 1.00 18.28 C ATOM 1222 OD1 ASN A 75 5.946 11.701 41.231 1.00 18.76 O ATOM 1223 ND2 ASN A 75 4.537 11.523 42.962 1.00 19.69 N ATOM 1224 H ASN A 75 8.243 7.626 41.438 1.00 0.00 H ATOM 1225 HA ASN A 75 7.596 9.678 40.988 1.00 0.00 H ATOM 1226 HB3 ASN A 75 6.222 9.714 43.732 1.00 0.00 H ATOM 1227 HB2 ASN A 75 5.573 8.946 42.306 1.00 0.00 H ATOM 1228 HD22 ASN A 75 4.075 12.386 42.714 1.00 0.00 H ATOM 1229 HD21 ASN A 75 4.242 11.001 43.774 1.00 0.00 H ATOM 1230 N ALA A 76 9.927 10.487 42.100 1.00 15.78 N ATOM 1231 CA ALA A 76 11.059 11.291 42.564 1.00 15.84 C ATOM 1232 C ALA A 76 10.992 12.779 42.161 1.00 16.60 C ATOM 1233 O ALA A 76 11.645 13.595 42.812 1.00 18.71 O ATOM 1234 CB ALA A 76 12.350 10.681 42.003 1.00 19.70 C ATOM 1235 H ALA A 76 10.121 9.777 41.406 1.00 0.00 H ATOM 1236 HA ALA A 76 11.095 11.239 43.654 1.00 0.00 H ATOM 1237 HB1 ALA A 76 13.230 11.246 42.312 1.00 0.00 H ATOM 1238 HB2 ALA A 76 12.482 9.657 42.352 1.00 0.00 H ATOM 1239 HB3 ALA A 76 12.334 10.658 40.916 1.00 0.00 H ATOM 1240 N CYS A 77 10.194 13.147 41.142 1.00 15.43 N ATOM 1241 CA CYS A 77 9.929 14.541 40.762 1.00 15.15 C ATOM 1242 C CYS A 77 8.735 15.128 41.534 1.00 15.94 C ATOM 1243 O CYS A 77 8.595 16.349 41.568 1.00 16.72 O ATOM 1244 CB CYS A 77 9.578 14.619 39.263 1.00 15.14 C ATOM 1245 SG CYS A 77 10.930 14.122 38.168 1.00 14.34 S ATOM 1246 H CYS A 77 9.689 12.428 40.640 1.00 0.00 H ATOM 1247 HA CYS A 77 10.802 15.165 40.954 1.00 0.00 H ATOM 1248 HB3 CYS A 77 9.330 15.648 38.998 1.00 0.00 H ATOM 1249 HB2 CYS A 77 8.689 14.034 39.028 1.00 0.00 H ATOM 1250 N HIS A 78 7.879 14.277 42.131 1.00 15.99 N ATOM 1251 CA HIS A 78 6.709 14.638 42.941 1.00 16.71 C ATOM 1252 C HIS A 78 5.605 15.306 42.101 1.00 17.72 C ATOM 1253 O HIS A 78 4.947 16.244 42.550 1.00 18.21 O ATOM 1254 CB HIS A 78 7.091 15.385 44.240 1.00 25.66 C ATOM 1255 CG HIS A 78 7.910 14.539 45.185 1.00 30.49 C ATOM 1256 ND1 HIS A 78 9.276 14.356 45.050 1.00 33.57 N ATOM 1257 CD2 HIS A 78 7.539 13.761 46.260 1.00 31.11 C ATOM 1258 CE1 HIS A 78 9.657 13.508 46.009 1.00 32.40 C ATOM 1259 NE2 HIS A 78 8.656 13.108 46.784 1.00 35.66 N ATOM 1260 H HIS A 78 8.074 13.289 42.054 1.00 0.00 H ATOM 1261 HA HIS A 78 6.276 13.691 43.257 1.00 0.00 H ATOM 1262 HB3 HIS A 78 6.185 15.668 44.779 1.00 0.00 H ATOM 1263 HB2 HIS A 78 7.619 16.315 44.032 1.00 0.00 H ATOM 1264 HD1 HIS A 78 9.870 14.758 44.339 1.00 0.00 H ATOM 1265 HD2 HIS A 78 6.557 13.606 46.681 1.00 0.00 H ATOM 1266 HE1 HIS A 78 10.676 13.172 46.134 1.00 0.00 H ATOM 1267 N LEU A 79 5.443 14.822 40.860 1.00 15.10 N ATOM 1268 CA LEU A 79 4.465 15.260 39.874 1.00 16.14 C ATOM 1269 C LEU A 79 3.501 14.120 39.544 1.00 14.36 C ATOM 1270 O LEU A 79 3.874 12.946 39.556 1.00 16.77 O ATOM 1271 CB LEU A 79 5.189 15.627 38.558 1.00 20.57 C ATOM 1272 CG LEU A 79 5.957 16.959 38.554 1.00 27.66 C ATOM 1273 CD1 LEU A 79 6.743 17.083 37.243 1.00 29.20 C ATOM 1274 CD2 LEU A 79 5.031 18.176 38.723 1.00 32.17 C ATOM 1275 H LEU A 79 6.024 14.038 40.594 1.00 0.00 H ATOM 1276 HA LEU A 79 3.880 16.103 40.243 1.00 0.00 H ATOM 1277 HB3 LEU A 79 4.472 15.674 37.737 1.00 0.00 H ATOM 1278 HB2 LEU A 79 5.871 14.815 38.295 1.00 0.00 H ATOM 1279 HG LEU A 79 6.674 16.950 39.376 1.00 0.00 H ATOM 1280 HD11 LEU A 79 7.399 17.953 37.262 1.00 0.00 H ATOM 1281 HD12 LEU A 79 7.358 16.199 37.079 1.00 0.00 H ATOM 1282 HD13 LEU A 79 6.079 17.181 36.383 1.00 0.00 H ATOM 1283 HD21 LEU A 79 5.594 19.107 38.646 1.00 0.00 H ATOM 1284 HD22 LEU A 79 4.256 18.199 37.956 1.00 0.00 H ATOM 1285 HD23 LEU A 79 4.542 18.181 39.696 1.00 0.00 H ATOM 1286 N SER A 80 2.290 14.498 39.113 1.00 12.78 N ATOM 1287 CA SER A 80 1.434 13.656 38.286 1.00 13.23 C ATOM 1288 C SER A 80 2.029 13.635 36.866 1.00 12.09 C ATOM 1289 O SER A 80 2.469 14.673 36.369 1.00 12.94 O ATOM 1290 CB SER A 80 0.021 14.272 38.247 1.00 14.70 C ATOM 1291 OG SER A 80 -0.856 13.481 37.469 1.00 14.92 O ATOM 1292 H SER A 80 2.071 15.483 39.132 1.00 0.00 H ATOM 1293 HA SER A 80 1.387 12.654 38.710 1.00 0.00 H ATOM 1294 HB3 SER A 80 0.047 15.279 37.827 1.00 0.00 H ATOM 1295 HB2 SER A 80 -0.389 14.355 39.254 1.00 0.00 H ATOM 1296 HG SER A 80 -1.652 13.971 37.319 1.00 0.00 H ATOM 1297 N CYS A 81 2.022 12.471 36.198 1.00 12.15 N ATOM 1298 CA CYS A 81 2.511 12.313 34.825 1.00 11.82 C ATOM 1299 C CYS A 81 1.668 13.075 33.779 1.00 11.57 C ATOM 1300 O CYS A 81 2.138 13.278 32.661 1.00 13.13 O ATOM 1301 CB CYS A 81 2.525 10.829 34.436 1.00 13.14 C ATOM 1302 SG CYS A 81 3.639 9.704 35.326 1.00 13.20 S ATOM 1303 H CYS A 81 1.665 11.648 36.669 1.00 0.00 H ATOM 1304 HA CYS A 81 3.529 12.702 34.771 1.00 0.00 H ATOM 1305 HB3 CYS A 81 2.796 10.756 33.388 1.00 0.00 H ATOM 1306 HB2 CYS A 81 1.514 10.427 34.508 1.00 0.00 H ATOM 1307 N SER A 82 0.456 13.532 34.145 1.00 12.73 N ATOM 1308 CA SER A 82 -0.404 14.404 33.344 1.00 13.54 C ATOM 1309 C SER A 82 0.164 15.832 33.181 1.00 11.95 C ATOM 1310 O SER A 82 -0.187 16.507 32.214 1.00 13.03 O ATOM 1311 CB ASER A 82 -1.810 14.438 33.987 0.60 17.55 C ATOM 1312 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 1313 OG ASER A 82 -1.866 15.196 35.183 0.60 18.83 O ATOM 1314 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 1315 H SER A 82 0.141 13.329 35.084 1.00 0.00 H ATOM 1316 HA SER A 82 -0.491 13.960 32.350 1.00 0.00 H ATOM 1317 HB3ASER A 82 -2.158 13.426 34.193 0.60 0.00 H ATOM 1318 HB3BSER A 82 -1.519 14.897 35.255 0.40 0.00 H ATOM 1319 HB2ASER A 82 -2.524 14.871 33.285 0.60 0.00 H ATOM 1320 HB2BSER A 82 -2.227 13.600 34.328 0.40 0.00 H ATOM 1321 HG ASER A 82 -1.675 16.099 34.978 0.60 0.00 H ATOM 1322 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 1323 N ALA A 83 1.064 16.272 34.082 1.00 12.11 N ATOM 1324 CA ALA A 83 1.782 17.549 34.004 1.00 12.56 C ATOM 1325 C ALA A 83 2.866 17.542 32.910 1.00 13.55 C ATOM 1326 O ALA A 83 3.274 18.602 32.442 1.00 15.23 O ATOM 1327 CB ALA A 83 2.466 17.811 35.356 1.00 15.16 C ATOM 1328 H ALA A 83 1.314 15.656 34.844 1.00 0.00 H ATOM 1329 HA ALA A 83 1.071 18.350 33.798 1.00 0.00 H ATOM 1330 HB1 ALA A 83 2.941 18.793 35.368 1.00 0.00 H ATOM 1331 HB2 ALA A 83 1.745 17.792 36.173 1.00 0.00 H ATOM 1332 HB3 ALA A 83 3.239 17.073 35.574 1.00 0.00 H ATOM 1333 N LEU A 84 3.303 16.349 32.476 1.00 12.54 N ATOM 1334 CA LEU A 84 4.262 16.143 31.393 1.00 12.71 C ATOM 1335 C LEU A 84 3.561 16.050 30.021 1.00 13.40 C ATOM 1336 O LEU A 84 4.250 15.969 29.006 1.00 16.08 O ATOM 1337 CB LEU A 84 5.009 14.815 31.648 1.00 14.18 C ATOM 1338 CG LEU A 84 5.674 14.685 33.038 1.00 17.81 C ATOM 1339 CD1 LEU A 84 6.268 13.285 33.198 1.00 20.67 C ATOM 1340 CD2 LEU A 84 6.754 15.747 33.275 1.00 21.32 C ATOM 1341 H LEU A 84 2.914 15.520 32.902 1.00 0.00 H ATOM 1342 HA LEU A 84 4.977 16.966 31.356 1.00 0.00 H ATOM 1343 HB3 LEU A 84 5.772 14.676 30.880 1.00 0.00 H ATOM 1344 HB2 LEU A 84 4.315 13.987 31.520 1.00 0.00 H ATOM 1345 HG LEU A 84 4.918 14.798 33.816 1.00 0.00 H ATOM 1346 HD11 LEU A 84 6.801 13.177 34.142 1.00 0.00 H ATOM 1347 HD12 LEU A 84 5.480 12.534 33.166 1.00 0.00 H ATOM 1348 HD13 LEU A 84 6.961 13.064 32.390 1.00 0.00 H ATOM 1349 HD21 LEU A 84 7.226 15.622 34.250 1.00 0.00 H ATOM 1350 HD22 LEU A 84 7.531 15.670 32.515 1.00 0.00 H ATOM 1351 HD23 LEU A 84 6.340 16.756 33.246 1.00 0.00 H ATOM 1352 N LEU A 85 2.215 16.091 29.978 1.00 12.93 N ATOM 1353 CA LEU A 85 1.397 16.079 28.762 1.00 13.54 C ATOM 1354 C LEU A 85 0.793 17.459 28.436 1.00 13.88 C ATOM 1355 O LEU A 85 -0.012 17.570 27.511 1.00 16.87 O ATOM 1356 CB LEU A 85 0.287 15.012 28.895 1.00 13.39 C ATOM 1357 CG LEU A 85 0.795 13.558 29.007 1.00 13.51 C ATOM 1358 CD1 LEU A 85 -0.395 12.600 29.168 1.00 18.29 C ATOM 1359 CD2 LEU A 85 1.668 13.143 27.807 1.00 16.82 C ATOM 1360 H LEU A 85 1.721 16.165 30.856 1.00 0.00 H ATOM 1361 HA LEU A 85 2.008 15.837 27.901 1.00 0.00 H ATOM 1362 HB3 LEU A 85 -0.378 15.067 28.032 1.00 0.00 H ATOM 1363 HB2 LEU A 85 -0.333 15.244 29.762 1.00 0.00 H ATOM 1364 HG LEU A 85 1.406 13.471 29.907 1.00 0.00 H ATOM 1365 HD11 LEU A 85 -0.068 11.565 29.252 1.00 0.00 H ATOM 1366 HD12 LEU A 85 -0.972 12.836 30.062 1.00 0.00 H ATOM 1367 HD13 LEU A 85 -1.068 12.660 28.312 1.00 0.00 H ATOM 1368 HD21 LEU A 85 1.956 12.097 27.869 1.00 0.00 H ATOM 1369 HD22 LEU A 85 1.142 13.284 26.863 1.00 0.00 H ATOM 1370 HD23 LEU A 85 2.598 13.709 27.765 1.00 0.00 H ATOM 1371 N GLN A 86 1.214 18.515 29.150 1.00 14.21 N ATOM 1372 CA GLN A 86 0.862 19.912 28.898 1.00 14.01 C ATOM 1373 C GLN A 86 1.678 20.476 27.722 1.00 14.22 C ATOM 1374 O GLN A 86 2.816 20.062 27.496 1.00 16.42 O ATOM 1375 CB GLN A 86 1.237 20.729 30.153 1.00 15.40 C ATOM 1376 CG GLN A 86 0.277 20.526 31.336 1.00 18.36 C ATOM 1377 CD GLN A 86 0.719 21.345 32.549 1.00 22.98 C ATOM 1378 OE1 GLN A 86 1.767 21.085 33.132 1.00 25.88 O ATOM 1379 NE2 GLN A 86 -0.080 22.337 32.943 1.00 27.04 N ATOM 1380 H GLN A 86 1.890 18.345 29.881 1.00 0.00 H ATOM 1381 HA GLN A 86 -0.205 20.006 28.685 1.00 0.00 H ATOM 1382 HB3 GLN A 86 1.245 21.794 29.912 1.00 0.00 H ATOM 1383 HB2 GLN A 86 2.256 20.484 30.458 1.00 0.00 H ATOM 1384 HG3 GLN A 86 0.250 19.474 31.624 1.00 0.00 H ATOM 1385 HG2 GLN A 86 -0.739 20.798 31.047 1.00 0.00 H ATOM 1386 HE22 GLN A 86 0.184 22.891 33.745 1.00 0.00 H ATOM 1387 HE21 GLN A 86 -0.940 22.527 32.450 1.00 0.00 H ATOM 1388 N ASP A 87 1.116 21.470 27.010 1.00 13.89 N ATOM 1389 CA ASP A 87 1.807 22.245 25.967 1.00 14.61 C ATOM 1390 C ASP A 87 2.912 23.149 26.547 1.00 16.13 C ATOM 1391 O ASP A 87 3.914 23.391 25.873 1.00 20.65 O ATOM 1392 CB ASP A 87 0.804 23.135 25.191 1.00 15.52 C ATOM 1393 CG ASP A 87 -0.273 22.386 24.398 1.00 15.85 C ATOM 1394 OD1 ASP A 87 -0.112 21.164 24.179 1.00 18.46 O ATOM 1395 OD2 ASP A 87 -1.224 23.072 23.968 1.00 18.72 O1- ATOM 1396 H ASP A 87 0.169 21.741 27.232 1.00 0.00 H ATOM 1397 HA ASP A 87 2.283 21.551 25.273 1.00 0.00 H ATOM 1398 HB3 ASP A 87 1.342 23.763 24.479 1.00 0.00 H ATOM 1399 HB2 ASP A 87 0.304 23.817 25.880 1.00 0.00 H ATOM 1400 N ASN A 88 2.747 23.600 27.803 1.00 15.81 N ATOM 1401 CA ASN A 88 3.759 24.286 28.600 1.00 17.79 C ATOM 1402 C ASN A 88 4.640 23.196 29.238 1.00 16.08 C ATOM 1403 O ASN A 88 4.134 22.306 29.921 1.00 19.07 O ATOM 1404 CB ASN A 88 3.032 25.086 29.708 1.00 20.11 C ATOM 1405 CG ASN A 88 3.947 26.094 30.411 1.00 22.92 C ATOM 1406 OD1 ASN A 88 4.851 25.709 31.147 1.00 26.75 O ATOM 1407 ND2 ASN A 88 3.731 27.390 30.175 1.00 44.22 N ATOM 1408 H ASN A 88 1.897 23.339 28.281 1.00 0.00 H ATOM 1409 HA ASN A 88 4.347 24.953 27.966 1.00 0.00 H ATOM 1410 HB3 ASN A 88 2.593 24.424 30.457 1.00 0.00 H ATOM 1411 HB2 ASN A 88 2.193 25.630 29.271 1.00 0.00 H ATOM 1412 HD22 ASN A 88 4.318 28.079 30.621 1.00 0.00 H ATOM 1413 HD21 ASN A 88 2.979 27.677 29.566 1.00 0.00 H ATOM 1414 N ILE A 89 5.957 23.276 28.999 1.00 12.57 N ATOM 1415 CA ILE A 89 6.934 22.253 29.376 1.00 12.70 C ATOM 1416 C ILE A 89 7.727 22.623 30.645 1.00 11.43 C ATOM 1417 O ILE A 89 8.756 22.003 30.897 1.00 12.56 O ATOM 1418 CB ILE A 89 7.877 21.970 28.167 1.00 12.99 C ATOM 1419 CG1 ILE A 89 8.762 23.169 27.740 1.00 14.29 C ATOM 1420 CG2 ILE A 89 7.076 21.401 26.980 1.00 16.72 C ATOM 1421 CD1 ILE A 89 9.883 22.778 26.768 1.00 17.23 C ATOM 1422 H ILE A 89 6.295 24.046 28.440 1.00 0.00 H ATOM 1423 HA ILE A 89 6.421 21.319 29.612 1.00 0.00 H ATOM 1424 HB ILE A 89 8.555 21.171 28.473 1.00 0.00 H ATOM 1425 HG13 ILE A 89 9.234 23.619 28.613 1.00 0.00 H ATOM 1426 HG12 ILE A 89 8.148 23.953 27.294 1.00 0.00 H ATOM 1427 HG21 ILE A 89 7.729 21.031 26.190 1.00 0.00 H ATOM 1428 HG22 ILE A 89 6.453 20.564 27.297 1.00 0.00 H ATOM 1429 HG23 ILE A 89 6.419 22.153 26.542 1.00 0.00 H ATOM 1430 HD11 ILE A 89 10.554 23.614 26.580 1.00 0.00 H ATOM 1431 HD12 ILE A 89 10.485 21.962 27.169 1.00 0.00 H ATOM 1432 HD13 ILE A 89 9.483 22.460 25.806 1.00 0.00 H ATOM 1433 N ALA A 90 7.272 23.596 31.457 1.00 12.52 N ATOM 1434 CA ALA A 90 7.948 24.042 32.682 1.00 11.88 C ATOM 1435 C ALA A 90 8.099 22.937 33.745 1.00 12.16 C ATOM 1436 O ALA A 90 9.172 22.817 34.334 1.00 12.58 O ATOM 1437 CB ALA A 90 7.200 25.244 33.275 1.00 16.43 C ATOM 1438 H ALA A 90 6.411 24.066 31.207 1.00 0.00 H ATOM 1439 HA ALA A 90 8.950 24.373 32.402 1.00 0.00 H ATOM 1440 HB1 ALA A 90 7.686 25.604 34.183 1.00 0.00 H ATOM 1441 HB2 ALA A 90 7.177 26.076 32.571 1.00 0.00 H ATOM 1442 HB3 ALA A 90 6.170 24.991 33.529 1.00 0.00 H ATOM 1443 N ASP A 91 7.062 22.102 33.944 1.00 12.34 N ATOM 1444 CA ASP A 91 7.086 20.949 34.855 1.00 13.06 C ATOM 1445 C ASP A 91 7.868 19.759 34.273 1.00 13.27 C ATOM 1446 O ASP A 91 8.474 19.009 35.039 1.00 14.41 O ATOM 1447 CB ASP A 91 5.643 20.477 35.170 1.00 16.70 C ATOM 1448 CG ASP A 91 4.799 21.485 35.960 1.00 21.64 C ATOM 1449 OD1 ASP A 91 5.397 22.310 36.687 1.00 25.67 O ATOM 1450 OD2 ASP A 91 3.558 21.392 35.850 1.00 30.98 O1- ATOM 1451 H ASP A 91 6.208 22.266 33.430 1.00 0.00 H ATOM 1452 HA ASP A 91 7.578 21.240 35.785 1.00 0.00 H ATOM 1453 HB3 ASP A 91 5.668 19.560 35.759 1.00 0.00 H ATOM 1454 HB2 ASP A 91 5.118 20.232 34.246 1.00 0.00 H ATOM 1455 N ALA A 92 7.906 19.606 32.937 1.00 12.68 N ATOM 1456 CA ALA A 92 8.697 18.584 32.248 1.00 12.92 C ATOM 1457 C ALA A 92 10.200 18.893 32.295 1.00 11.99 C ATOM 1458 O ALA A 92 10.998 17.970 32.445 1.00 13.19 O ATOM 1459 CB ALA A 92 8.237 18.484 30.785 1.00 14.28 C ATOM 1460 H ALA A 92 7.396 20.265 32.367 1.00 0.00 H ATOM 1461 HA ALA A 92 8.548 17.628 32.743 1.00 0.00 H ATOM 1462 HB1 ALA A 92 8.781 17.702 30.253 1.00 0.00 H ATOM 1463 HB2 ALA A 92 7.177 18.236 30.726 1.00 0.00 H ATOM 1464 HB3 ALA A 92 8.389 19.417 30.243 1.00 0.00 H ATOM 1465 N VAL A 93 10.575 20.181 32.230 1.00 11.60 N ATOM 1466 CA VAL A 93 11.937 20.677 32.399 1.00 11.58 C ATOM 1467 C VAL A 93 12.384 20.585 33.870 1.00 10.95 C ATOM 1468 O VAL A 93 13.528 20.213 34.112 1.00 12.78 O ATOM 1469 CB VAL A 93 12.020 22.128 31.846 1.00 12.54 C ATOM 1470 CG1 VAL A 93 13.263 22.906 32.316 1.00 15.10 C ATOM 1471 CG2 VAL A 93 11.982 22.114 30.306 1.00 14.14 C ATOM 1472 H VAL A 93 9.853 20.873 32.078 1.00 0.00 H ATOM 1473 HA VAL A 93 12.612 20.048 31.816 1.00 0.00 H ATOM 1474 HB VAL A 93 11.149 22.688 32.191 1.00 0.00 H ATOM 1475 HG11 VAL A 93 13.465 23.763 31.679 1.00 0.00 H ATOM 1476 HG12 VAL A 93 13.150 23.270 33.338 1.00 0.00 H ATOM 1477 HG13 VAL A 93 14.146 22.276 32.285 1.00 0.00 H ATOM 1478 HG21 VAL A 93 11.963 23.123 29.898 1.00 0.00 H ATOM 1479 HG22 VAL A 93 12.859 21.616 29.895 1.00 0.00 H ATOM 1480 HG23 VAL A 93 11.107 21.592 29.920 1.00 0.00 H ATOM 1481 N ALA A 94 11.498 20.863 34.844 1.00 11.32 N ATOM 1482 CA ALA A 94 11.788 20.761 36.279 1.00 14.03 C ATOM 1483 C ALA A 94 12.050 19.312 36.729 1.00 11.77 C ATOM 1484 O ALA A 94 12.895 19.084 37.595 1.00 13.70 O ATOM 1485 CB ALA A 94 10.603 21.333 37.071 1.00 15.14 C ATOM 1486 H ALA A 94 10.573 21.175 34.579 1.00 0.00 H ATOM 1487 HA ALA A 94 12.676 21.356 36.496 1.00 0.00 H ATOM 1488 HB1 ALA A 94 10.794 21.305 38.144 1.00 0.00 H ATOM 1489 HB2 ALA A 94 10.419 22.374 36.802 1.00 0.00 H ATOM 1490 HB3 ALA A 94 9.685 20.776 36.884 1.00 0.00 H ATOM 1491 N CYS A 95 11.365 18.338 36.105 1.00 11.92 N ATOM 1492 CA CYS A 95 11.549 16.912 36.352 1.00 11.46 C ATOM 1493 C CYS A 95 12.728 16.341 35.547 1.00 10.97 C ATOM 1494 O CYS A 95 13.412 15.458 36.055 1.00 12.53 O ATOM 1495 CB CYS A 95 10.249 16.185 35.977 1.00 12.67 C ATOM 1496 SG CYS A 95 10.184 14.395 36.290 1.00 13.56 S ATOM 1497 H CYS A 95 10.676 18.607 35.415 1.00 0.00 H ATOM 1498 HA CYS A 95 11.741 16.764 37.415 1.00 0.00 H ATOM 1499 HB3 CYS A 95 10.005 16.353 34.927 1.00 0.00 H ATOM 1500 HB2 CYS A 95 9.441 16.637 36.547 1.00 0.00 H ATOM 1501 N ALA A 96 13.027 16.868 34.345 1.00 10.42 N ATOM 1502 CA ALA A 96 14.213 16.502 33.562 1.00 11.09 C ATOM 1503 C ALA A 96 15.511 16.993 34.227 1.00 11.76 C ATOM 1504 O ALA A 96 16.528 16.308 34.143 1.00 13.14 O ATOM 1505 CB ALA A 96 14.108 17.107 32.156 1.00 13.08 C ATOM 1506 H ALA A 96 12.421 17.582 33.962 1.00 0.00 H ATOM 1507 HA ALA A 96 14.254 15.415 33.474 1.00 0.00 H ATOM 1508 HB1 ALA A 96 14.978 16.855 31.549 1.00 0.00 H ATOM 1509 HB2 ALA A 96 13.233 16.723 31.632 1.00 0.00 H ATOM 1510 HB3 ALA A 96 14.029 18.193 32.188 1.00 0.00 H ATOM 1511 N LYS A 97 15.454 18.130 34.943 1.00 11.55 N ATOM 1512 CA LYS A 97 16.514 18.645 35.806 1.00 11.67 C ATOM 1513 C LYS A 97 16.748 17.729 37.019 1.00 11.49 C ATOM 1514 O LYS A 97 17.901 17.460 37.345 1.00 14.28 O ATOM 1515 CB LYS A 97 16.149 20.061 36.291 1.00 12.72 C ATOM 1516 CG LYS A 97 16.418 21.152 35.245 1.00 12.67 C ATOM 1517 CD LYS A 97 16.004 22.536 35.756 1.00 13.88 C ATOM 1518 CE LYS A 97 16.281 23.651 34.744 1.00 14.34 C ATOM 1519 NZ LYS A 97 15.906 24.958 35.302 1.00 16.93 N1+ ATOM 1520 H LYS A 97 14.587 18.651 34.928 1.00 0.00 H ATOM 1521 HA LYS A 97 17.440 18.701 35.233 1.00 0.00 H ATOM 1522 HB3 LYS A 97 16.728 20.307 37.182 1.00 0.00 H ATOM 1523 HB2 LYS A 97 15.105 20.094 36.600 1.00 0.00 H ATOM 1524 HG3 LYS A 97 15.896 20.928 34.318 1.00 0.00 H ATOM 1525 HG2 LYS A 97 17.475 21.163 34.986 1.00 0.00 H ATOM 1526 HD3 LYS A 97 16.534 22.748 36.685 1.00 0.00 H ATOM 1527 HD2 LYS A 97 14.941 22.524 36.000 1.00 0.00 H ATOM 1528 HE3 LYS A 97 15.716 23.483 33.828 1.00 0.00 H ATOM 1529 HE2 LYS A 97 17.336 23.673 34.468 1.00 0.00 H ATOM 1530 HZ1 LYS A 97 15.993 25.661 34.578 1.00 0.00 H ATOM 1531 HZ2 LYS A 97 14.945 24.930 35.612 1.00 0.00 H ATOM 1532 HZ3 LYS A 97 16.509 25.190 36.078 1.00 0.00 H ATOM 1533 N ARG A 98 15.673 17.213 37.648 1.00 12.01 N ATOM 1534 CA ARG A 98 15.731 16.233 38.738 1.00 12.87 C ATOM 1535 C ARG A 98 16.375 14.902 38.308 1.00 12.26 C ATOM 1536 O ARG A 98 17.181 14.370 39.069 1.00 14.55 O ATOM 1537 CB ARG A 98 14.318 16.027 39.343 1.00 13.46 C ATOM 1538 CG ARG A 98 14.160 14.870 40.358 1.00 14.92 C ATOM 1539 CD ARG A 98 15.006 15.023 41.631 1.00 17.52 C ATOM 1540 NE ARG A 98 15.047 13.774 42.407 1.00 17.98 N ATOM 1541 CZ ARG A 98 16.023 12.848 42.370 1.00 18.76 C ATOM 1542 NH1 ARG A 98 17.058 12.948 41.528 1.00 21.63 N ATOM 1543 NH2 ARG A 98 15.965 11.789 43.186 1.00 21.98 N1+ ATOM 1544 H ARG A 98 14.756 17.476 37.313 1.00 0.00 H ATOM 1545 HA ARG A 98 16.371 16.661 39.510 1.00 0.00 H ATOM 1546 HB3 ARG A 98 13.607 15.847 38.541 1.00 0.00 H ATOM 1547 HB2 ARG A 98 13.992 16.956 39.811 1.00 0.00 H ATOM 1548 HG3 ARG A 98 14.369 13.914 39.878 1.00 0.00 H ATOM 1549 HG2 ARG A 98 13.112 14.812 40.647 1.00 0.00 H ATOM 1550 HD3 ARG A 98 14.576 15.803 42.260 1.00 0.00 H ATOM 1551 HD2 ARG A 98 16.023 15.340 41.406 1.00 0.00 H ATOM 1552 HE ARG A 98 14.255 13.615 43.016 1.00 0.00 H ATOM 1553 HH12 ARG A 98 17.804 12.251 41.527 1.00 0.00 H ATOM 1554 HH11 ARG A 98 17.092 13.686 40.835 1.00 0.00 H ATOM 1555 HH22 ARG A 98 16.693 11.088 43.149 1.00 0.00 H ATOM 1556 HH21 ARG A 98 15.203 11.678 43.839 1.00 0.00 H ATOM 1557 N VAL A 99 16.062 14.394 37.100 1.00 11.86 N ATOM 1558 CA VAL A 99 16.635 13.174 36.511 1.00 12.33 C ATOM 1559 C VAL A 99 18.171 13.240 36.435 1.00 12.78 C ATOM 1560 O VAL A 99 18.843 12.297 36.851 1.00 14.35 O ATOM 1561 CB VAL A 99 16.001 12.882 35.118 1.00 12.64 C ATOM 1562 CG1 VAL A 99 16.699 11.742 34.343 1.00 14.52 C ATOM 1563 CG2 VAL A 99 14.497 12.568 35.200 1.00 14.42 C ATOM 1564 H VAL A 99 15.374 14.887 36.545 1.00 0.00 H ATOM 1565 HA VAL A 99 16.386 12.348 37.175 1.00 0.00 H ATOM 1566 HB VAL A 99 16.103 13.785 34.517 1.00 0.00 H ATOM 1567 HG11 VAL A 99 16.150 11.487 33.437 1.00 0.00 H ATOM 1568 HG12 VAL A 99 17.708 12.013 34.030 1.00 0.00 H ATOM 1569 HG13 VAL A 99 16.766 10.837 34.947 1.00 0.00 H ATOM 1570 HG21 VAL A 99 13.984 12.869 34.286 1.00 0.00 H ATOM 1571 HG22 VAL A 99 14.330 11.500 35.315 1.00 0.00 H ATOM 1572 HG23 VAL A 99 14.004 13.054 36.038 1.00 0.00 H ATOM 1573 N VAL A 100 18.714 14.358 35.924 1.00 13.05 N ATOM 1574 CA VAL A 100 20.145 14.521 35.685 1.00 12.65 C ATOM 1575 C VAL A 100 20.927 14.984 36.930 1.00 14.23 C ATOM 1576 O VAL A 100 22.154 15.025 36.853 1.00 17.68 O ATOM 1577 CB VAL A 100 20.380 15.482 34.490 1.00 12.79 C ATOM 1578 CG1 VAL A 100 19.714 14.942 33.214 1.00 14.07 C ATOM 1579 CG2 VAL A 100 19.962 16.941 34.739 1.00 14.57 C ATOM 1580 H VAL A 100 18.099 15.099 35.617 1.00 0.00 H ATOM 1581 HA VAL A 100 20.557 13.549 35.408 1.00 0.00 H ATOM 1582 HB VAL A 100 21.454 15.493 34.296 1.00 0.00 H ATOM 1583 HG11 VAL A 100 20.029 15.495 32.332 1.00 0.00 H ATOM 1584 HG12 VAL A 100 19.964 13.898 33.047 1.00 0.00 H ATOM 1585 HG13 VAL A 100 18.628 15.000 33.271 1.00 0.00 H ATOM 1586 HG21 VAL A 100 20.196 17.566 33.879 1.00 0.00 H ATOM 1587 HG22 VAL A 100 18.893 17.012 34.912 1.00 0.00 H ATOM 1588 HG23 VAL A 100 20.469 17.375 35.598 1.00 0.00 H ATOM 1589 N ARG A 101 20.268 15.274 38.072 1.00 15.12 N ATOM 1590 CA ARG A 101 20.930 15.488 39.368 1.00 17.78 C ATOM 1591 C ARG A 101 21.407 14.175 40.018 1.00 20.08 C ATOM 1592 O ARG A 101 22.267 14.234 40.897 1.00 23.74 O ATOM 1593 CB ARG A 101 20.013 16.246 40.355 1.00 18.42 C ATOM 1594 CG ARG A 101 19.954 17.759 40.075 1.00 18.87 C ATOM 1595 CD ARG A 101 19.425 18.598 41.248 1.00 18.67 C ATOM 1596 NE ARG A 101 18.055 18.238 41.643 1.00 20.24 N ATOM 1597 CZ ARG A 101 16.918 18.758 41.150 1.00 16.31 C ATOM 1598 NH1 ARG A 101 16.921 19.609 40.114 1.00 19.85 N ATOM 1599 NH2 ARG A 101 15.750 18.421 41.708 1.00 21.13 N1+ ATOM 1600 H ARG A 101 19.258 15.229 38.066 1.00 0.00 H ATOM 1601 HA ARG A 101 21.824 16.090 39.215 1.00 0.00 H ATOM 1602 HB3 ARG A 101 20.390 16.118 41.371 1.00 0.00 H ATOM 1603 HB2 ARG A 101 19.009 15.820 40.357 1.00 0.00 H ATOM 1604 HG3 ARG A 101 19.372 17.965 39.183 1.00 0.00 H ATOM 1605 HG2 ARG A 101 20.958 18.119 39.850 1.00 0.00 H ATOM 1606 HD3 ARG A 101 19.470 19.660 41.010 1.00 0.00 H ATOM 1607 HD2 ARG A 101 20.071 18.457 42.115 1.00 0.00 H ATOM 1608 HE ARG A 101 17.987 17.561 42.389 1.00 0.00 H ATOM 1609 HH12 ARG A 101 16.057 19.990 39.759 1.00 0.00 H ATOM 1610 HH11 ARG A 101 17.794 19.863 39.667 1.00 0.00 H ATOM 1611 HH22 ARG A 101 14.885 18.808 41.358 1.00 0.00 H ATOM 1612 HH21 ARG A 101 15.725 17.810 42.512 1.00 0.00 H ATOM 1613 N ASP A 102 20.935 13.002 39.552 1.00 17.13 N ATOM 1614 CA ASP A 102 21.528 11.699 39.875 1.00 18.60 C ATOM 1615 C ASP A 102 22.850 11.507 39.094 1.00 18.33 C ATOM 1616 O ASP A 102 22.997 12.100 38.022 1.00 17.88 O ATOM 1617 CB ASP A 102 20.554 10.550 39.512 1.00 25.63 C ATOM 1618 CG ASP A 102 19.377 10.372 40.481 1.00 29.45 C ATOM 1619 OD1 ASP A 102 19.199 11.224 41.379 1.00 31.08 O ATOM 1620 OD2 ASP A 102 18.676 9.352 40.321 1.00 39.39 O1- ATOM 1621 H ASP A 102 20.228 13.020 38.831 1.00 0.00 H ATOM 1622 HA ASP A 102 21.720 11.686 40.947 1.00 0.00 H ATOM 1623 HB3 ASP A 102 21.081 9.596 39.489 1.00 0.00 H ATOM 1624 HB2 ASP A 102 20.158 10.691 38.506 1.00 0.00 H ATOM 1625 N PRO A 103 23.815 10.705 39.616 1.00 21.13 N ATOM 1626 CA PRO A 103 25.160 10.482 39.041 1.00 24.39 C ATOM 1627 C PRO A 103 25.247 10.155 37.540 1.00 20.09 C ATOM 1628 O PRO A 103 26.219 10.541 36.892 1.00 18.73 O ATOM 1629 CB PRO A 103 25.750 9.313 39.842 1.00 27.01 C ATOM 1630 CG PRO A 103 25.064 9.384 41.189 1.00 27.24 C ATOM 1631 CD PRO A 103 23.697 9.998 40.898 1.00 23.20 C ATOM 1632 HA PRO A 103 25.744 11.383 39.235 1.00 0.00 H ATOM 1633 HB3 PRO A 103 26.836 9.370 39.927 1.00 0.00 H ATOM 1634 HB2 PRO A 103 25.509 8.354 39.379 1.00 0.00 H ATOM 1635 HG3 PRO A 103 25.628 10.051 41.843 1.00 0.00 H ATOM 1636 HG2 PRO A 103 24.997 8.416 41.685 1.00 0.00 H ATOM 1637 HD2 PRO A 103 22.945 9.213 40.816 1.00 0.00 H ATOM 1638 HD3 PRO A 103 23.418 10.656 41.721 1.00 0.00 H ATOM 1639 N GLN A 104 24.237 9.453 37.000 1.00 18.34 N ATOM 1640 CA GLN A 104 24.165 8.983 35.618 1.00 21.23 C ATOM 1641 C GLN A 104 24.034 10.141 34.606 1.00 17.94 C ATOM 1642 O GLN A 104 24.529 10.033 33.483 1.00 18.00 O ATOM 1643 CB GLN A 104 22.952 8.027 35.521 1.00 24.12 C ATOM 1644 CG GLN A 104 23.137 6.907 34.478 1.00 47.13 C ATOM 1645 CD GLN A 104 21.968 5.923 34.356 1.00 47.32 C ATOM 1646 OE1 GLN A 104 22.058 4.971 33.585 1.00 60.39 O ATOM 1647 NE2 GLN A 104 20.870 6.126 35.088 1.00 62.61 N ATOM 1648 H GLN A 104 23.476 9.189 37.609 1.00 0.00 H ATOM 1649 HA GLN A 104 25.085 8.433 35.410 1.00 0.00 H ATOM 1650 HB3 GLN A 104 22.041 8.594 35.319 1.00 0.00 H ATOM 1651 HB2 GLN A 104 22.794 7.549 36.489 1.00 0.00 H ATOM 1652 HG3 GLN A 104 24.035 6.334 34.711 1.00 0.00 H ATOM 1653 HG2 GLN A 104 23.295 7.346 33.497 1.00 0.00 H ATOM 1654 HE22 GLN A 104 20.097 5.480 35.016 1.00 0.00 H ATOM 1655 HE21 GLN A 104 20.816 6.915 35.715 1.00 0.00 H ATOM 1656 N GLY A 105 23.403 11.257 35.011 1.00 16.59 N ATOM 1657 CA GLY A 105 23.162 12.426 34.176 1.00 17.91 C ATOM 1658 C GLY A 105 22.123 12.131 33.090 1.00 15.90 C ATOM 1659 O GLY A 105 21.125 11.455 33.347 1.00 17.09 O ATOM 1660 H GLY A 105 23.053 11.289 35.959 1.00 0.00 H ATOM 1661 HA3 GLY A 105 24.100 12.762 33.731 1.00 0.00 H ATOM 1662 HA2 GLY A 105 22.804 13.241 34.804 1.00 0.00 H ATOM 1663 N ILE A 106 22.372 12.638 31.873 1.00 15.81 N ATOM 1664 CA ILE A 106 21.536 12.442 30.686 1.00 17.11 C ATOM 1665 C ILE A 106 21.653 11.019 30.076 1.00 15.80 C ATOM 1666 O ILE A 106 20.872 10.677 29.189 1.00 16.82 O ATOM 1667 CB ILE A 106 21.876 13.558 29.657 1.00 17.55 C ATOM 1668 CG1 ILE A 106 20.839 13.640 28.513 1.00 19.14 C ATOM 1669 CG2 ILE A 106 23.322 13.478 29.121 1.00 21.03 C ATOM 1670 CD1 ILE A 106 20.762 15.008 27.825 1.00 17.90 C ATOM 1671 H ILE A 106 23.209 13.189 31.751 1.00 0.00 H ATOM 1672 HA ILE A 106 20.498 12.571 30.996 1.00 0.00 H ATOM 1673 HB ILE A 106 21.794 14.499 30.201 1.00 0.00 H ATOM 1674 HG13 ILE A 106 19.847 13.420 28.905 1.00 0.00 H ATOM 1675 HG12 ILE A 106 21.041 12.872 27.770 1.00 0.00 H ATOM 1676 HG21 ILE A 106 23.545 14.308 28.450 1.00 0.00 H ATOM 1677 HG22 ILE A 106 24.053 13.519 29.928 1.00 0.00 H ATOM 1678 HG23 ILE A 106 23.496 12.557 28.567 1.00 0.00 H ATOM 1679 HD11 ILE A 106 20.049 14.986 27.001 1.00 0.00 H ATOM 1680 HD12 ILE A 106 20.426 15.774 28.524 1.00 0.00 H ATOM 1681 HD13 ILE A 106 21.724 15.312 27.417 1.00 0.00 H ATOM 1682 N ARG A 107 22.556 10.159 30.587 1.00 16.58 N ATOM 1683 CA ARG A 107 22.640 8.735 30.232 1.00 17.13 C ATOM 1684 C ARG A 107 21.519 7.899 30.875 1.00 20.36 C ATOM 1685 O ARG A 107 21.402 6.722 30.546 1.00 21.86 O ATOM 1686 CB ARG A 107 23.997 8.152 30.678 1.00 18.94 C ATOM 1687 CG ARG A 107 25.171 8.725 29.885 1.00 23.89 C ATOM 1688 CD ARG A 107 26.540 8.383 30.484 1.00 39.98 C ATOM 1689 NE ARG A 107 27.549 9.282 29.915 1.00 47.72 N ATOM 1690 CZ ARG A 107 27.731 10.563 30.282 1.00 67.00 C ATOM 1691 NH1 ARG A 107 27.058 11.105 31.309 1.00 74.07 N ATOM 1692 NH2 ARG A 107 28.595 11.319 29.594 1.00 64.71 N1+ ATOM 1693 H ARG A 107 23.157 10.487 31.330 1.00 0.00 H ATOM 1694 HA ARG A 107 22.550 8.628 29.149 1.00 0.00 H ATOM 1695 HB3 ARG A 107 24.012 7.067 30.566 1.00 0.00 H ATOM 1696 HB2 ARG A 107 24.146 8.343 31.736 1.00 0.00 H ATOM 1697 HG3 ARG A 107 25.070 9.808 29.812 1.00 0.00 H ATOM 1698 HG2 ARG A 107 25.119 8.346 28.864 1.00 0.00 H ATOM 1699 HD3 ARG A 107 26.804 7.348 30.266 1.00 0.00 H ATOM 1700 HD2 ARG A 107 26.537 8.488 31.570 1.00 0.00 H ATOM 1701 HE ARG A 107 28.075 8.921 29.132 1.00 0.00 H ATOM 1702 HH12 ARG A 107 27.209 12.068 31.574 1.00 0.00 H ATOM 1703 HH11 ARG A 107 26.407 10.545 31.841 1.00 0.00 H ATOM 1704 HH22 ARG A 107 28.747 12.284 29.852 1.00 0.00 H ATOM 1705 HH21 ARG A 107 29.116 10.930 28.823 1.00 0.00 H ATOM 1706 N ALA A 108 20.663 8.490 31.729 1.00 18.54 N ATOM 1707 CA ALA A 108 19.430 7.889 32.245 1.00 21.58 C ATOM 1708 C ALA A 108 18.440 7.492 31.133 1.00 18.41 C ATOM 1709 O ALA A 108 17.740 6.490 31.270 1.00 24.26 O ATOM 1710 CB ALA A 108 18.774 8.874 33.224 1.00 25.52 C ATOM 1711 H ALA A 108 20.826 9.460 31.962 1.00 0.00 H ATOM 1712 HA ALA A 108 19.694 6.981 32.785 1.00 0.00 H ATOM 1713 HB1 ALA A 108 17.859 8.463 33.650 1.00 0.00 H ATOM 1714 HB2 ALA A 108 19.444 9.107 34.053 1.00 0.00 H ATOM 1715 HB3 ALA A 108 18.519 9.815 32.732 1.00 0.00 H ATOM 1716 N TRP A 109 18.440 8.241 30.019 1.00 16.15 N ATOM 1717 CA TRP A 109 17.738 7.918 28.784 1.00 16.79 C ATOM 1718 C TRP A 109 18.709 7.185 27.845 1.00 15.57 C ATOM 1719 O TRP A 109 19.772 7.712 27.508 1.00 17.44 O ATOM 1720 CB TRP A 109 17.319 9.239 28.122 1.00 14.21 C ATOM 1721 CG TRP A 109 16.286 10.026 28.874 1.00 14.22 C ATOM 1722 CD1 TRP A 109 14.954 9.798 28.843 1.00 17.01 C ATOM 1723 CD2 TRP A 109 16.468 11.193 29.734 1.00 13.07 C ATOM 1724 NE1 TRP A 109 14.304 10.736 29.616 1.00 16.16 N ATOM 1725 CE2 TRP A 109 15.184 11.642 30.169 1.00 14.95 C ATOM 1726 CE3 TRP A 109 17.587 11.936 30.173 1.00 14.74 C ATOM 1727 CZ2 TRP A 109 15.017 12.784 30.974 1.00 16.94 C ATOM 1728 CZ3 TRP A 109 17.434 13.083 30.977 1.00 14.74 C ATOM 1729 CH2 TRP A 109 16.153 13.512 31.375 1.00 16.52 C ATOM 1730 H TRP A 109 19.058 9.039 29.990 1.00 0.00 H ATOM 1731 HA TRP A 109 16.855 7.305 28.974 1.00 0.00 H ATOM 1732 HB3 TRP A 109 16.917 9.033 27.131 1.00 0.00 H ATOM 1733 HB2 TRP A 109 18.184 9.884 27.958 1.00 0.00 H ATOM 1734 HD1 TRP A 109 14.480 9.007 28.279 1.00 0.00 H ATOM 1735 HE1 TRP A 109 13.296 10.769 29.679 1.00 0.00 H ATOM 1736 HE3 TRP A 109 18.573 11.628 29.865 1.00 0.00 H ATOM 1737 HZ2 TRP A 109 14.031 13.103 31.276 1.00 0.00 H ATOM 1738 HZ3 TRP A 109 18.305 13.643 31.276 1.00 0.00 H ATOM 1739 HH2 TRP A 109 16.044 14.394 31.988 1.00 0.00 H ATOM 1740 N VAL A 110 18.331 5.967 27.420 1.00 18.17 N ATOM 1741 CA VAL A 110 19.124 5.111 26.530 1.00 20.77 C ATOM 1742 C VAL A 110 19.149 5.636 25.083 1.00 18.43 C ATOM 1743 O VAL A 110 20.108 5.359 24.367 1.00 20.67 O ATOM 1744 CB VAL A 110 18.588 3.652 26.556 1.00 28.20 C ATOM 1745 CG1 VAL A 110 18.656 3.050 27.970 1.00 32.48 C ATOM 1746 CG2 VAL A 110 17.179 3.466 25.955 1.00 32.96 C ATOM 1747 H VAL A 110 17.447 5.600 27.743 1.00 0.00 H ATOM 1748 HA VAL A 110 20.152 5.103 26.896 1.00 0.00 H ATOM 1749 HB VAL A 110 19.266 3.056 25.942 1.00 0.00 H ATOM 1750 HG11 VAL A 110 18.399 1.990 27.957 1.00 0.00 H ATOM 1751 HG12 VAL A 110 19.659 3.138 28.387 1.00 0.00 H ATOM 1752 HG13 VAL A 110 17.967 3.545 28.655 1.00 0.00 H ATOM 1753 HG21 VAL A 110 16.860 2.426 26.028 1.00 0.00 H ATOM 1754 HG22 VAL A 110 16.439 4.072 26.478 1.00 0.00 H ATOM 1755 HG23 VAL A 110 17.142 3.732 24.899 1.00 0.00 H ATOM 1756 N ALA A 111 18.135 6.419 24.665 1.00 18.39 N ATOM 1757 CA ALA A 111 18.047 7.026 23.336 1.00 20.08 C ATOM 1758 C ALA A 111 19.124 8.097 23.123 1.00 17.47 C ATOM 1759 O ALA A 111 19.591 8.250 21.997 1.00 19.35 O ATOM 1760 CB ALA A 111 16.666 7.670 23.154 1.00 21.74 C ATOM 1761 H ALA A 111 17.384 6.615 25.311 1.00 0.00 H ATOM 1762 HA ALA A 111 18.173 6.240 22.589 1.00 0.00 H ATOM 1763 HB1 ALA A 111 16.520 8.006 22.126 1.00 0.00 H ATOM 1764 HB2 ALA A 111 15.863 6.970 23.386 1.00 0.00 H ATOM 1765 HB3 ALA A 111 16.549 8.541 23.798 1.00 0.00 H ATOM 1766 N TRP A 112 19.567 8.781 24.195 1.00 16.39 N ATOM 1767 CA TRP A 112 20.697 9.706 24.157 1.00 14.27 C ATOM 1768 C TRP A 112 22.031 8.960 23.966 1.00 14.94 C ATOM 1769 O TRP A 112 22.896 9.465 23.257 1.00 14.58 O ATOM 1770 CB TRP A 112 20.742 10.545 25.451 1.00 14.56 C ATOM 1771 CG TRP A 112 21.820 11.590 25.467 1.00 15.83 C ATOM 1772 CD1 TRP A 112 21.703 12.849 24.989 1.00 15.71 C ATOM 1773 CD2 TRP A 112 23.201 11.462 25.928 1.00 15.54 C ATOM 1774 NE1 TRP A 112 22.923 13.488 25.074 1.00 15.81 N ATOM 1775 CE2 TRP A 112 23.889 12.677 25.631 1.00 16.34 C ATOM 1776 CE3 TRP A 112 23.952 10.434 26.548 1.00 16.24 C ATOM 1777 CZ2 TRP A 112 25.255 12.856 25.909 1.00 19.60 C ATOM 1778 CZ3 TRP A 112 25.319 10.609 26.844 1.00 19.22 C ATOM 1779 CH2 TRP A 112 25.973 11.813 26.521 1.00 21.44 C ATOM 1780 H TRP A 112 19.144 8.596 25.093 1.00 0.00 H ATOM 1781 HA TRP A 112 20.557 10.383 23.313 1.00 0.00 H ATOM 1782 HB3 TRP A 112 20.858 9.910 26.330 1.00 0.00 H ATOM 1783 HB2 TRP A 112 19.788 11.056 25.571 1.00 0.00 H ATOM 1784 HD1 TRP A 112 20.803 13.259 24.554 1.00 0.00 H ATOM 1785 HE1 TRP A 112 23.078 14.425 24.728 1.00 0.00 H ATOM 1786 HE3 TRP A 112 23.471 9.497 26.788 1.00 0.00 H ATOM 1787 HZ2 TRP A 112 25.746 13.785 25.664 1.00 0.00 H ATOM 1788 HZ3 TRP A 112 25.879 9.809 27.304 1.00 0.00 H ATOM 1789 HH2 TRP A 112 27.023 11.935 26.742 1.00 0.00 H ATOM 1790 N ARG A 113 22.197 7.753 24.538 1.00 15.14 N ATOM 1791 CA ARG A 113 23.403 6.937 24.352 1.00 16.43 C ATOM 1792 C ARG A 113 23.519 6.425 22.906 1.00 17.09 C ATOM 1793 O ARG A 113 24.622 6.353 22.367 1.00 18.84 O ATOM 1794 CB ARG A 113 23.384 5.707 25.279 1.00 19.05 C ATOM 1795 CG ARG A 113 23.207 5.998 26.776 1.00 21.06 C ATOM 1796 CD ARG A 113 23.358 4.703 27.589 1.00 31.33 C ATOM 1797 NE ARG A 113 22.609 4.743 28.849 1.00 32.96 N ATOM 1798 CZ ARG A 113 22.256 3.676 29.587 1.00 39.44 C ATOM 1799 NH1 ARG A 113 22.575 2.429 29.216 1.00 48.10 N ATOM 1800 NH2 ARG A 113 21.571 3.863 30.720 1.00 49.31 N1+ ATOM 1801 H ARG A 113 21.445 7.368 25.091 1.00 0.00 H ATOM 1802 HA ARG A 113 24.275 7.545 24.591 1.00 0.00 H ATOM 1803 HB3 ARG A 113 24.324 5.167 25.146 1.00 0.00 H ATOM 1804 HB2 ARG A 113 22.603 5.015 24.964 1.00 0.00 H ATOM 1805 HG3 ARG A 113 22.231 6.451 26.957 1.00 0.00 H ATOM 1806 HG2 ARG A 113 23.953 6.724 27.101 1.00 0.00 H ATOM 1807 HD3 ARG A 113 24.409 4.487 27.785 1.00 0.00 H ATOM 1808 HD2 ARG A 113 22.965 3.867 27.009 1.00 0.00 H ATOM 1809 HE ARG A 113 22.344 5.658 29.194 1.00 0.00 H ATOM 1810 HH12 ARG A 113 22.304 1.638 29.783 1.00 0.00 H ATOM 1811 HH11 ARG A 113 23.095 2.272 28.364 1.00 0.00 H ATOM 1812 HH22 ARG A 113 21.306 3.086 31.307 1.00 0.00 H ATOM 1813 HH21 ARG A 113 21.340 4.805 31.015 1.00 0.00 H ATOM 1814 N ASN A 114 22.374 6.091 22.285 1.00 15.91 N ATOM 1815 CA ASN A 114 22.284 5.524 20.943 1.00 17.99 C ATOM 1816 C ASN A 114 22.420 6.603 19.855 1.00 15.89 C ATOM 1817 O ASN A 114 23.052 6.337 18.834 1.00 20.21 O ATOM 1818 CB ASN A 114 20.901 4.845 20.753 1.00 22.77 C ATOM 1819 CG ASN A 114 20.617 3.656 21.681 1.00 26.98 C ATOM 1820 OD1 ASN A 114 21.513 3.112 22.323 1.00 28.93 O ATOM 1821 ND2 ASN A 114 19.345 3.261 21.773 1.00 33.78 N ATOM 1822 H ASN A 114 21.514 6.174 22.810 1.00 0.00 H ATOM 1823 HA ASN A 114 23.076 4.784 20.804 1.00 0.00 H ATOM 1824 HB3 ASN A 114 20.803 4.484 19.727 1.00 0.00 H ATOM 1825 HB2 ASN A 114 20.107 5.580 20.898 1.00 0.00 H ATOM 1826 HD22 ASN A 114 19.110 2.491 22.382 1.00 0.00 H ATOM 1827 HD21 ASN A 114 18.625 3.730 21.244 1.00 0.00 H ATOM 1828 N ARG A 115 21.815 7.789 20.050 1.00 16.64 N ATOM 1829 CA ARG A 115 21.603 8.795 19.003 1.00 17.38 C ATOM 1830 C ARG A 115 22.409 10.091 19.182 1.00 17.46 C ATOM 1831 O ARG A 115 22.423 10.889 18.245 1.00 20.36 O ATOM 1832 CB ARG A 115 20.110 9.193 18.985 1.00 18.38 C ATOM 1833 CG ARG A 115 19.122 8.051 18.697 1.00 24.94 C ATOM 1834 CD ARG A 115 19.135 7.624 17.226 1.00 30.28 C ATOM 1835 NE ARG A 115 18.093 6.627 16.952 1.00 32.22 N ATOM 1836 CZ ARG A 115 17.660 6.271 15.731 1.00 32.89 C ATOM 1837 NH1 ARG A 115 18.152 6.843 14.623 1.00 35.05 N ATOM 1838 NH2 ARG A 115 16.722 5.323 15.620 1.00 36.35 N1+ ATOM 1839 H ARG A 115 21.324 7.933 20.923 1.00 0.00 H ATOM 1840 HA ARG A 115 21.868 8.393 18.024 1.00 0.00 H ATOM 1841 HB3 ARG A 115 19.954 9.965 18.232 1.00 0.00 H ATOM 1842 HB2 ARG A 115 19.844 9.666 19.930 1.00 0.00 H ATOM 1843 HG3 ARG A 115 18.119 8.388 18.952 1.00 0.00 H ATOM 1844 HG2 ARG A 115 19.315 7.196 19.343 1.00 0.00 H ATOM 1845 HD3 ARG A 115 20.104 7.204 16.953 1.00 0.00 H ATOM 1846 HD2 ARG A 115 18.967 8.494 16.592 1.00 0.00 H ATOM 1847 HE ARG A 115 17.706 6.158 17.759 1.00 0.00 H ATOM 1848 HH12 ARG A 115 17.822 6.568 13.709 1.00 0.00 H ATOM 1849 HH11 ARG A 115 18.851 7.568 14.699 1.00 0.00 H ATOM 1850 HH22 ARG A 115 16.384 5.040 14.711 1.00 0.00 H ATOM 1851 HH21 ARG A 115 16.337 4.883 16.444 1.00 0.00 H ATOM 1852 N CYS A 116 23.024 10.344 20.352 1.00 15.08 N ATOM 1853 CA CYS A 116 23.572 11.660 20.718 1.00 14.67 C ATOM 1854 C CYS A 116 24.996 11.595 21.274 1.00 16.40 C ATOM 1855 O CYS A 116 25.792 12.492 20.996 1.00 18.54 O ATOM 1856 CB CYS A 116 22.627 12.380 21.702 1.00 14.17 C ATOM 1857 SG CYS A 116 20.891 12.484 21.198 1.00 14.27 S ATOM 1858 H CYS A 116 22.967 9.649 21.083 1.00 0.00 H ATOM 1859 HA CYS A 116 23.641 12.288 19.829 1.00 0.00 H ATOM 1860 HB3 CYS A 116 22.985 13.391 21.899 1.00 0.00 H ATOM 1861 HB2 CYS A 116 22.649 11.868 22.659 1.00 0.00 H ATOM 1862 N GLN A 117 25.320 10.552 22.058 1.00 16.23 N ATOM 1863 CA GLN A 117 26.604 10.385 22.733 1.00 18.20 C ATOM 1864 C GLN A 117 27.702 10.054 21.714 1.00 20.42 C ATOM 1865 O GLN A 117 27.549 9.134 20.910 1.00 20.59 O ATOM 1866 CB GLN A 117 26.488 9.242 23.761 1.00 19.87 C ATOM 1867 CG GLN A 117 27.743 9.094 24.649 1.00 23.21 C ATOM 1868 CD GLN A 117 27.650 7.982 25.694 1.00 24.24 C ATOM 1869 OE1 GLN A 117 26.710 7.190 25.713 1.00 33.47 O ATOM 1870 NE2 GLN A 117 28.645 7.921 26.581 1.00 37.16 N ATOM 1871 H GLN A 117 24.605 9.865 22.258 1.00 0.00 H ATOM 1872 HA GLN A 117 26.842 11.314 23.257 1.00 0.00 H ATOM 1873 HB3 GLN A 117 26.287 8.301 23.247 1.00 0.00 H ATOM 1874 HB2 GLN A 117 25.621 9.429 24.393 1.00 0.00 H ATOM 1875 HG3 GLN A 117 27.941 10.036 25.160 1.00 0.00 H ATOM 1876 HG2 GLN A 117 28.617 8.887 24.037 1.00 0.00 H ATOM 1877 HE22 GLN A 117 28.650 7.182 27.268 1.00 0.00 H ATOM 1878 HE21 GLN A 117 29.417 8.568 26.519 1.00 0.00 H ATOM 1879 N ASN A 118 28.794 10.834 21.757 1.00 23.71 N ATOM 1880 CA ASN A 118 29.993 10.716 20.917 1.00 28.55 C ATOM 1881 C ASN A 118 29.753 11.145 19.455 1.00 27.64 C ATOM 1882 O ASN A 118 30.562 10.830 18.583 1.00 33.21 O ATOM 1883 CB ASN A 118 30.704 9.340 21.046 1.00 34.02 C ATOM 1884 CG ASN A 118 31.112 8.980 22.479 1.00 36.99 C ATOM 1885 OD1 ASN A 118 31.683 9.800 23.196 1.00 41.09 O ATOM 1886 ND2 ASN A 118 30.789 7.761 22.917 1.00 45.69 N ATOM 1887 H ASN A 118 28.807 11.573 22.445 1.00 0.00 H ATOM 1888 HA ASN A 118 30.681 11.468 21.305 1.00 0.00 H ATOM 1889 HB3 ASN A 118 31.618 9.338 20.451 1.00 0.00 H ATOM 1890 HB2 ASN A 118 30.079 8.548 20.629 1.00 0.00 H ATOM 1891 HD22 ASN A 118 31.040 7.485 23.854 1.00 0.00 H ATOM 1892 HD21 ASN A 118 30.307 7.117 22.307 1.00 0.00 H ATOM 1893 N ARG A 119 28.642 11.854 19.191 1.00 26.95 N ATOM 1894 CA ARG A 119 28.268 12.405 17.894 1.00 29.41 C ATOM 1895 C ARG A 119 28.337 13.935 17.932 1.00 27.46 C ATOM 1896 O ARG A 119 28.265 14.551 18.997 1.00 28.03 O ATOM 1897 CB ARG A 119 26.816 12.010 17.560 1.00 27.29 C ATOM 1898 CG ARG A 119 26.575 10.496 17.473 1.00 29.07 C ATOM 1899 CD ARG A 119 25.328 10.192 16.636 1.00 33.27 C ATOM 1900 NE ARG A 119 24.862 8.809 16.821 1.00 34.40 N ATOM 1901 CZ ARG A 119 24.467 7.967 15.850 1.00 33.71 C ATOM 1902 NH1 ARG A 119 24.506 8.313 14.555 1.00 39.46 N ATOM 1903 NH2 ARG A 119 24.018 6.751 16.179 1.00 32.31 N1+ ATOM 1904 H ARG A 119 28.029 12.071 19.965 1.00 0.00 H ATOM 1905 HA ARG A 119 28.931 12.043 17.105 1.00 0.00 H ATOM 1906 HB3 ARG A 119 26.555 12.454 16.598 1.00 0.00 H ATOM 1907 HB2 ARG A 119 26.120 12.443 18.280 1.00 0.00 H ATOM 1908 HG3 ARG A 119 26.483 10.076 18.475 1.00 0.00 H ATOM 1909 HG2 ARG A 119 27.435 10.012 17.009 1.00 0.00 H ATOM 1910 HD3 ARG A 119 25.546 10.399 15.589 1.00 0.00 H ATOM 1911 HD2 ARG A 119 24.520 10.864 16.913 1.00 0.00 H ATOM 1912 HE ARG A 119 24.795 8.495 17.780 1.00 0.00 H ATOM 1913 HH12 ARG A 119 24.211 7.667 13.838 1.00 0.00 H ATOM 1914 HH11 ARG A 119 24.841 9.228 14.289 1.00 0.00 H ATOM 1915 HH22 ARG A 119 23.737 6.095 15.466 1.00 0.00 H ATOM 1916 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1917 N ASP A 120 28.402 14.537 16.735 1.00 30.41 N ATOM 1918 CA ASP A 120 28.220 15.965 16.512 1.00 27.35 C ATOM 1919 C ASP A 120 26.710 16.273 16.596 1.00 25.50 C ATOM 1920 O ASP A 120 25.927 15.775 15.787 1.00 30.21 O ATOM 1921 CB ASP A 120 28.799 16.304 15.113 1.00 31.42 C ATOM 1922 CG ASP A 120 28.833 17.796 14.755 1.00 38.14 C ATOM 1923 OD1 ASP A 120 28.426 18.621 15.601 1.00 41.12 O ATOM 1924 OD2 ASP A 120 29.308 18.095 13.637 1.00 34.42 O1- ATOM 1925 H ASP A 120 28.456 13.955 15.913 1.00 0.00 H ATOM 1926 HA ASP A 120 28.766 16.523 17.276 1.00 0.00 H ATOM 1927 HB3 ASP A 120 28.246 15.779 14.333 1.00 0.00 H ATOM 1928 HB2 ASP A 120 29.825 15.939 15.052 1.00 0.00 H ATOM 1929 N VAL A 121 26.324 17.078 17.599 1.00 22.52 N ATOM 1930 CA VAL A 121 24.941 17.434 17.934 1.00 21.13 C ATOM 1931 C VAL A 121 24.665 18.941 17.755 1.00 22.32 C ATOM 1932 O VAL A 121 23.571 19.397 18.082 1.00 18.74 O ATOM 1933 CB VAL A 121 24.574 16.915 19.355 1.00 22.58 C ATOM 1934 CG1 VAL A 121 24.534 15.377 19.423 1.00 30.69 C ATOM 1935 CG2 VAL A 121 25.472 17.477 20.473 1.00 25.84 C ATOM 1936 H VAL A 121 27.043 17.432 18.212 1.00 0.00 H ATOM 1937 HA VAL A 121 24.261 16.950 17.231 1.00 0.00 H ATOM 1938 HB VAL A 121 23.559 17.246 19.578 1.00 0.00 H ATOM 1939 HG11 VAL A 121 24.173 15.038 20.394 1.00 0.00 H ATOM 1940 HG12 VAL A 121 23.871 14.961 18.665 1.00 0.00 H ATOM 1941 HG13 VAL A 121 25.522 14.942 19.271 1.00 0.00 H ATOM 1942 HG21 VAL A 121 25.104 17.172 21.453 1.00 0.00 H ATOM 1943 HG22 VAL A 121 26.497 17.117 20.381 1.00 0.00 H ATOM 1944 HG23 VAL A 121 25.501 18.566 20.465 1.00 0.00 H ATOM 1945 N ARG A 122 25.615 19.720 17.201 1.00 27.46 N ATOM 1946 CA ARG A 122 25.458 21.139 16.842 1.00 27.65 C ATOM 1947 C ARG A 122 24.281 21.429 15.891 1.00 24.97 C ATOM 1948 O ARG A 122 23.700 22.513 15.966 1.00 25.46 O ATOM 1949 CB AARG A 122 26.810 21.679 16.311 0.50 29.85 C ATOM 1950 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1951 CG AARG A 122 26.775 22.767 15.209 0.50 34.26 C ATOM 1952 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1953 CD AARG A 122 28.153 23.356 14.881 0.50 33.83 C ATOM 1954 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1955 NE AARG A 122 29.116 22.299 14.544 0.50 37.37 N ATOM 1956 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1957 CZ AARG A 122 29.995 21.738 15.393 0.50 37.41 C ATOM 1958 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1959 NH1AARG A 122 30.126 22.163 16.658 0.50 44.26 N ATOM 1960 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1961 NH2AARG A 122 30.750 20.717 14.970 0.50 43.88 N1+ ATOM 1962 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1963 H ARG A 122 26.486 19.278 16.935 1.00 0.00 H ATOM 1964 HA ARG A 122 25.231 21.675 17.766 1.00 0.00 H ATOM 1965 HB3AARG A 122 27.394 20.848 15.926 0.50 0.00 H ATOM 1966 HB3BARG A 122 26.793 22.602 16.073 0.50 0.00 H ATOM 1967 HB2AARG A 122 27.372 22.058 17.164 0.50 0.00 H ATOM 1968 HB2BARG A 122 26.957 21.027 15.280 0.50 0.00 H ATOM 1969 HG3AARG A 122 26.126 23.587 15.517 0.50 0.00 H ATOM 1970 HG3BARG A 122 28.972 21.518 16.609 0.50 0.00 H ATOM 1971 HG2AARG A 122 26.346 22.357 14.293 0.50 0.00 H ATOM 1972 HG2BARG A 122 28.071 20.146 17.357 0.50 0.00 H ATOM 1973 HD3AARG A 122 28.519 23.965 15.707 0.50 0.00 H ATOM 1974 HD3BARG A 122 28.869 22.454 18.701 0.50 0.00 H ATOM 1975 HD2AARG A 122 28.067 24.026 14.024 0.50 0.00 H ATOM 1976 HD2BARG A 122 27.552 21.367 19.222 0.50 0.00 H ATOM 1977 HE AARG A 122 29.046 21.917 13.611 0.50 0.00 H ATOM 1978 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1979 HH12AARG A 122 30.784 21.719 17.283 0.50 0.00 H ATOM 1980 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1981 HH11AARG A 122 29.562 22.930 16.991 0.50 0.00 H ATOM 1982 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1983 HH22AARG A 122 31.401 20.267 15.596 0.50 0.00 H ATOM 1984 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1985 HH21AARG A 122 30.584 20.302 14.063 0.50 0.00 H ATOM 1986 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1987 N GLN A 123 23.930 20.465 15.021 1.00 26.01 N ATOM 1988 CA GLN A 123 22.850 20.542 14.036 1.00 28.19 C ATOM 1989 C GLN A 123 21.465 20.898 14.611 1.00 24.96 C ATOM 1990 O GLN A 123 20.659 21.513 13.914 1.00 26.43 O ATOM 1991 CB GLN A 123 22.789 19.240 13.210 1.00 33.36 C ATOM 1992 CG GLN A 123 22.481 17.958 14.021 1.00 45.52 C ATOM 1993 CD GLN A 123 22.229 16.702 13.178 1.00 48.33 C ATOM 1994 OE1 GLN A 123 22.330 15.595 13.698 1.00 50.12 O ATOM 1995 NE2 GLN A 123 21.920 16.839 11.886 1.00 61.45 N ATOM 1996 H GLN A 123 24.468 19.611 15.038 1.00 0.00 H ATOM 1997 HA GLN A 123 23.142 21.329 13.346 1.00 0.00 H ATOM 1998 HB3 GLN A 123 23.735 19.109 12.682 1.00 0.00 H ATOM 1999 HB2 GLN A 123 22.036 19.383 12.434 1.00 0.00 H ATOM 2000 HG3 GLN A 123 21.590 18.096 14.632 1.00 0.00 H ATOM 2001 HG2 GLN A 123 23.297 17.750 14.714 1.00 0.00 H ATOM 2002 HE22 GLN A 123 21.766 16.016 11.323 1.00 0.00 H ATOM 2003 HE21 GLN A 123 21.854 17.758 11.474 1.00 0.00 H ATOM 2004 N TYR A 124 21.194 20.523 15.873 1.00 21.23 N ATOM 2005 CA TYR A 124 19.892 20.679 16.516 1.00 20.57 C ATOM 2006 C TYR A 124 19.658 22.097 17.079 1.00 17.27 C ATOM 2007 O TYR A 124 18.514 22.419 17.398 1.00 19.70 O ATOM 2008 CB TYR A 124 19.782 19.656 17.665 1.00 20.32 C ATOM 2009 CG TYR A 124 19.870 18.204 17.226 1.00 17.15 C ATOM 2010 CD1 TYR A 124 18.833 17.625 16.465 1.00 23.75 C ATOM 2011 CD2 TYR A 124 20.996 17.428 17.561 1.00 19.77 C ATOM 2012 CE1 TYR A 124 18.941 16.293 16.018 1.00 24.75 C ATOM 2013 CE2 TYR A 124 21.121 16.109 17.091 1.00 21.05 C ATOM 2014 CZ TYR A 124 20.092 15.539 16.320 1.00 20.92 C ATOM 2015 OH TYR A 124 20.218 14.259 15.865 1.00 25.52 O ATOM 2016 H TYR A 124 21.913 20.038 16.393 1.00 0.00 H ATOM 2017 HA TYR A 124 19.107 20.469 15.789 1.00 0.00 H ATOM 2018 HB3 TYR A 124 18.808 19.766 18.131 1.00 0.00 H ATOM 2019 HB2 TYR A 124 20.526 19.856 18.440 1.00 0.00 H ATOM 2020 HD1 TYR A 124 17.957 18.204 16.212 1.00 0.00 H ATOM 2021 HD2 TYR A 124 21.772 17.839 18.181 1.00 0.00 H ATOM 2022 HE1 TYR A 124 18.149 15.858 15.427 1.00 0.00 H ATOM 2023 HE2 TYR A 124 22.002 15.535 17.333 1.00 0.00 H ATOM 2024 HH TYR A 124 21.088 13.914 15.999 1.00 0.00 H ATOM 2025 N VAL A 125 20.695 22.954 17.147 1.00 19.87 N ATOM 2026 CA VAL A 125 20.643 24.326 17.673 1.00 19.04 C ATOM 2027 C VAL A 125 21.132 25.393 16.677 1.00 21.10 C ATOM 2028 O VAL A 125 21.021 26.580 16.988 1.00 21.37 O ATOM 2029 CB VAL A 125 21.380 24.429 19.037 1.00 21.60 C ATOM 2030 CG1 VAL A 125 20.612 23.725 20.164 1.00 23.75 C ATOM 2031 CG2 VAL A 125 22.844 23.955 18.977 1.00 24.99 C ATOM 2032 H VAL A 125 21.601 22.617 16.850 1.00 0.00 H ATOM 2033 HA VAL A 125 19.602 24.600 17.854 1.00 0.00 H ATOM 2034 HB VAL A 125 21.411 25.481 19.323 1.00 0.00 H ATOM 2035 HG11 VAL A 125 21.144 23.808 21.112 1.00 0.00 H ATOM 2036 HG12 VAL A 125 19.628 24.173 20.302 1.00 0.00 H ATOM 2037 HG13 VAL A 125 20.469 22.666 19.953 1.00 0.00 H ATOM 2038 HG21 VAL A 125 23.350 24.142 19.925 1.00 0.00 H ATOM 2039 HG22 VAL A 125 22.912 22.885 18.775 1.00 0.00 H ATOM 2040 HG23 VAL A 125 23.406 24.476 18.202 1.00 0.00 H ATOM 2041 N GLN A 126 21.659 25.011 15.498 1.00 23.38 N ATOM 2042 CA GLN A 126 22.196 25.951 14.509 1.00 29.06 C ATOM 2043 C GLN A 126 21.100 26.851 13.905 1.00 27.13 C ATOM 2044 O GLN A 126 20.027 26.380 13.525 1.00 27.14 O ATOM 2045 CB AGLN A 126 22.988 25.197 13.418 0.50 31.28 C ATOM 2046 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 2047 CG AGLN A 126 22.198 24.233 12.496 0.50 33.72 C ATOM 2048 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 2049 CD AGLN A 126 22.525 24.354 11.003 0.50 47.22 C ATOM 2050 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 2051 OE1AGLN A 126 22.738 23.343 10.338 0.50 45.69 O ATOM 2052 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 2053 NE2AGLN A 126 22.580 25.574 10.465 0.50 49.55 N ATOM 2054 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 2055 H GLN A 126 21.737 24.024 15.296 1.00 0.00 H ATOM 2056 HA GLN A 126 22.908 26.590 15.036 1.00 0.00 H ATOM 2057 HB3AGLN A 126 23.779 24.623 13.903 0.50 0.00 H ATOM 2058 HB3BGLN A 126 23.741 25.920 13.076 0.50 0.00 H ATOM 2059 HB2AGLN A 126 23.528 25.942 12.834 0.50 0.00 H ATOM 2060 HB2BGLN A 126 22.419 24.920 12.610 0.50 0.00 H ATOM 2061 HG3AGLN A 126 21.122 24.350 12.600 0.50 0.00 H ATOM 2062 HG3BGLN A 126 24.036 23.345 13.084 0.50 0.00 H ATOM 2063 HG2AGLN A 126 22.392 23.215 12.809 0.50 0.00 H ATOM 2064 HG2BGLN A 126 23.127 23.347 14.541 0.50 0.00 H ATOM 2065 HE22AGLN A 126 22.801 25.673 9.485 0.50 0.00 H ATOM 2066 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 2067 HE21AGLN A 126 22.399 26.389 11.031 0.50 0.00 H ATOM 2068 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 2069 N GLY A 127 21.381 28.162 13.849 1.00 25.06 N ATOM 2070 CA GLY A 127 20.496 29.195 13.314 1.00 25.33 C ATOM 2071 C GLY A 127 19.321 29.600 14.219 1.00 23.89 C ATOM 2072 O GLY A 127 18.468 30.361 13.766 1.00 25.63 O ATOM 2073 H GLY A 127 22.278 28.469 14.198 1.00 0.00 H ATOM 2074 HA3 GLY A 127 20.103 28.873 12.349 1.00 0.00 H ATOM 2075 HA2 GLY A 127 21.097 30.084 13.121 1.00 0.00 H ATOM 2076 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 2077 CA CYS A 128 18.122 29.323 16.375 1.00 20.37 C ATOM 2078 C CYS A 128 18.289 30.541 17.301 1.00 21.95 C ATOM 2079 O CYS A 128 17.337 30.890 18.002 1.00 24.45 O ATOM 2080 CB CYS A 128 17.939 28.070 17.252 1.00 18.95 C ATOM 2081 SG CYS A 128 17.562 26.536 16.359 1.00 17.57 S ATOM 2082 H CYS A 128 19.979 28.472 15.774 1.00 0.00 H ATOM 2083 HA CYS A 128 17.210 29.496 15.803 1.00 0.00 H ATOM 2084 HB3 CYS A 128 17.124 28.225 17.960 1.00 0.00 H ATOM 2085 HB2 CYS A 128 18.828 27.890 17.853 1.00 0.00 H ATOM 2086 N GLY A 129 19.459 31.204 17.293 1.00 27.29 N ATOM 2087 CA GLY A 129 19.738 32.408 18.079 1.00 29.29 C ATOM 2088 C GLY A 129 20.013 32.140 19.566 1.00 28.62 C ATOM 2089 O GLY A 129 19.755 33.011 20.396 1.00 38.50 O ATOM 2090 H GLY A 129 20.190 30.871 16.681 1.00 0.00 H ATOM 2091 HA3 GLY A 129 18.912 33.114 17.984 1.00 0.00 H ATOM 2092 HA2 GLY A 129 20.615 32.898 17.654 1.00 0.00 H ATOM 2093 N VAL A 130 20.501 30.934 19.892 1.00 24.90 N ATOM 2094 CA VAL A 130 20.801 30.450 21.240 1.00 25.27 C ATOM 2095 C VAL A 130 22.317 30.270 21.434 1.00 33.46 C ATOM 2096 O VAL A 130 22.703 30.025 22.597 1.00 31.44 O ATOM 2097 CB VAL A 130 20.037 29.122 21.486 1.00 25.35 C ATOM 2098 CG1 VAL A 130 18.514 29.337 21.474 1.00 27.59 C ATOM 2099 CG2 VAL A 130 20.439 27.984 20.524 1.00 26.59 C ATOM 2100 OXT VAL A 130 23.068 30.370 20.437 1.00 47.97 O1- ATOM 2101 H VAL A 130 20.712 30.297 19.139 1.00 0.00 H ATOM 2102 HA VAL A 130 20.476 31.179 21.985 1.00 0.00 H ATOM 2103 HB VAL A 130 20.285 28.788 22.494 1.00 0.00 H ATOM 2104 HG11 VAL A 130 17.998 28.420 21.744 1.00 0.00 H ATOM 2105 HG12 VAL A 130 18.217 30.104 22.188 1.00 0.00 H ATOM 2106 HG13 VAL A 130 18.153 29.636 20.490 1.00 0.00 H ATOM 2107 HG21 VAL A 130 19.828 27.096 20.681 1.00 0.00 H ATOM 2108 HG22 VAL A 130 20.325 28.277 19.482 1.00 0.00 H ATOM 2109 HG23 VAL A 130 21.478 27.687 20.667 1.00 0.00 H CONECT 105 2081 CONECT 521 1857 CONECT 1090 1302 CONECT 1245 1496 CONECT 1302 1090 CONECT 1496 1245 CONECT 1857 521 CONECT 2081 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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