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*** HYDROLASE 05-JAN-98 1JSF ***elNémo ID: 2408050734302763644Job options:ID = 2408050734302763644 JOBID = HYDROLASE 05-JAN-98 1JSF 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 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 19.713 22.061 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.945 20.614 21.172 1.00 18.25 C ATOM 3 C LYS A 1 3.147 19.881 20.574 1.00 16.14 C ATOM 4 O LYS A 1 3.919 19.274 21.313 1.00 16.16 O ATOM 5 CB LYS A 1 2.396 21.867 21.956 1.00 24.42 C ATOM 6 CG LYS A 1 3.283 22.858 21.183 1.00 26.69 C ATOM 7 CD LYS A 1 3.600 24.113 22.004 1.00 23.93 C ATOM 8 CE LYS A 1 4.495 25.086 21.231 1.00 26.10 C ATOM 9 NZ LYS A 1 4.811 26.280 22.029 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.472 20.233 22.551 1.00 0.00 H ATOM 11 H2 LYS A 1 0.778 18.964 21.526 1.00 0.00 H ATOM 12 H3 LYS A 1 1.828 19.325 22.747 1.00 0.00 H ATOM 13 HA LYS A 1 1.274 20.922 20.368 1.00 0.00 H ATOM 14 HB3 LYS A 1 2.915 21.565 22.867 1.00 0.00 H ATOM 15 HB2 LYS A 1 1.505 22.404 22.276 1.00 0.00 H ATOM 16 HG3 LYS A 1 2.790 23.143 20.252 1.00 0.00 H ATOM 17 HG2 LYS A 1 4.225 22.385 20.904 1.00 0.00 H ATOM 18 HD3 LYS A 1 4.089 23.824 22.936 1.00 0.00 H ATOM 19 HD2 LYS A 1 2.670 24.611 22.284 1.00 0.00 H ATOM 20 HE3 LYS A 1 4.004 25.403 20.310 1.00 0.00 H ATOM 21 HE2 LYS A 1 5.428 24.602 20.941 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.372 26.897 21.447 1.00 0.00 H ATOM 23 HZ2 LYS A 1 3.960 26.752 22.296 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.336 26.016 22.849 1.00 0.00 H ATOM 25 N VAL A 2 3.340 20.014 19.253 1.00 15.22 N ATOM 26 CA VAL A 2 4.591 19.694 18.570 1.00 14.66 C ATOM 27 C VAL A 2 5.300 21.038 18.366 1.00 14.54 C ATOM 28 O VAL A 2 4.792 21.910 17.657 1.00 17.31 O ATOM 29 CB VAL A 2 4.304 19.011 17.204 1.00 18.09 C ATOM 30 CG1 VAL A 2 5.602 18.674 16.441 1.00 20.30 C ATOM 31 CG2 VAL A 2 3.471 17.728 17.375 1.00 21.91 C ATOM 32 H VAL A 2 2.658 20.530 18.717 1.00 0.00 H ATOM 33 HA VAL A 2 5.217 19.034 19.168 1.00 0.00 H ATOM 34 HB VAL A 2 3.720 19.691 16.580 1.00 0.00 H ATOM 35 HG11 VAL A 2 5.386 18.154 15.507 1.00 0.00 H ATOM 36 HG12 VAL A 2 6.170 19.568 16.181 1.00 0.00 H ATOM 37 HG13 VAL A 2 6.253 18.030 17.034 1.00 0.00 H ATOM 38 HG21 VAL A 2 3.280 17.250 16.413 1.00 0.00 H ATOM 39 HG22 VAL A 2 3.991 17.006 18.004 1.00 0.00 H ATOM 40 HG23 VAL A 2 2.501 17.927 17.831 1.00 0.00 H ATOM 41 N PHE A 3 6.472 21.197 18.995 1.00 13.22 N ATOM 42 CA PHE A 3 7.315 22.380 18.854 1.00 12.29 C ATOM 43 C PHE A 3 8.095 22.308 17.536 1.00 13.94 C ATOM 44 O PHE A 3 8.519 21.235 17.102 1.00 16.04 O ATOM 45 CB PHE A 3 8.367 22.416 19.982 1.00 13.14 C ATOM 46 CG PHE A 3 7.910 22.937 21.327 1.00 12.43 C ATOM 47 CD1 PHE A 3 7.158 22.120 22.195 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 22.603 23.464 1.00 16.85 C ATOM 50 CE2 PHE A 3 7.915 24.713 23.006 1.00 16.48 C ATOM 51 CZ PHE A 3 7.166 23.896 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 23.055 19.673 1.00 0.00 H ATOM 55 HB2 PHE A 3 8.801 21.433 20.139 1.00 0.00 H ATOM 56 HD1 PHE A 3 6.872 21.122 21.896 1.00 0.00 H ATOM 57 HD2 PHE A 3 8.866 24.863 21.078 1.00 0.00 H ATOM 58 HE1 PHE A 3 6.210 21.985 24.131 1.00 0.00 H ATOM 59 HE2 PHE A 3 8.210 25.705 23.315 1.00 0.00 H ATOM 60 HZ PHE A 3 6.882 24.257 24.850 1.00 0.00 H ATOM 61 N GLU A 4 8.361 23.490 16.965 1.00 14.86 N ATOM 62 CA GLU A 4 9.380 23.696 15.942 1.00 16.55 C ATOM 63 C GLU A 4 10.756 23.702 16.637 1.00 14.12 C ATOM 64 O GLU A 4 10.858 24.061 17.811 1.00 14.27 O ATOM 65 CB GLU A 4 9.120 25.055 15.262 1.00 21.19 C ATOM 66 CG GLU A 4 7.793 25.069 14.474 1.00 34.01 C ATOM 67 CD GLU A 4 7.491 26.435 13.861 1.00 39.62 C ATOM 68 OE1 GLU A 4 8.289 26.862 12.998 1.00 49.70 O ATOM 69 OE2 GLU A 4 6.465 27.026 14.260 1.00 48.74 O1- ATOM 70 H GLU A 4 7.960 24.320 17.385 1.00 0.00 H ATOM 71 HA GLU A 4 9.343 22.895 15.200 1.00 0.00 H ATOM 72 HB3 GLU A 4 9.940 25.285 14.581 1.00 0.00 H ATOM 73 HB2 GLU A 4 9.111 25.851 16.008 1.00 0.00 H ATOM 74 HG3 GLU A 4 6.960 24.791 15.120 1.00 0.00 H ATOM 75 HG2 GLU A 4 7.825 24.329 13.674 1.00 0.00 H ATOM 76 N ARG A 5 11.806 23.262 15.924 1.00 13.42 N ATOM 77 CA ARG A 5 13.169 23.056 16.429 1.00 13.70 C ATOM 78 C ARG A 5 13.741 24.248 17.219 1.00 11.54 C ATOM 79 O ARG A 5 14.134 24.094 18.374 1.00 12.11 O ATOM 80 CB ARG A 5 14.076 22.624 15.258 1.00 14.12 C ATOM 81 CG ARG A 5 15.552 22.376 15.627 1.00 16.72 C ATOM 82 CD ARG A 5 16.395 21.918 14.430 1.00 19.34 C ATOM 83 NE ARG A 5 16.574 23.004 13.453 1.00 20.28 N ATOM 84 CZ ARG A 5 17.556 23.921 13.456 1.00 21.61 C ATOM 85 NH1 ARG A 5 18.502 23.935 14.403 1.00 24.48 N ATOM 86 NH2 ARG A 5 17.591 24.854 12.498 1.00 23.88 N1+ ATOM 87 H ARG A 5 11.631 22.981 14.970 1.00 0.00 H ATOM 88 HA ARG A 5 13.112 22.217 17.126 1.00 0.00 H ATOM 89 HB3 ARG A 5 14.027 23.382 14.474 1.00 0.00 H ATOM 90 HB2 ARG A 5 13.668 21.713 14.817 1.00 0.00 H ATOM 91 HG3 ARG A 5 15.606 21.618 16.409 1.00 0.00 H ATOM 92 HG2 ARG A 5 16.005 23.275 16.047 1.00 0.00 H ATOM 93 HD3 ARG A 5 15.918 21.071 13.936 1.00 0.00 H ATOM 94 HD2 ARG A 5 17.370 21.566 14.762 1.00 0.00 H ATOM 95 HE ARG A 5 15.873 23.058 12.728 1.00 0.00 H ATOM 96 HH12 ARG A 5 19.217 24.651 14.389 1.00 0.00 H ATOM 97 HH11 ARG A 5 18.486 23.256 15.150 1.00 0.00 H ATOM 98 HH22 ARG A 5 18.318 25.558 12.514 1.00 0.00 H ATOM 99 HH21 ARG A 5 16.893 24.878 11.769 1.00 0.00 H ATOM 100 N CYS A 6 13.753 25.440 16.607 1.00 12.58 N ATOM 101 CA CYS A 6 14.327 26.640 17.207 1.00 12.42 C ATOM 102 C CYS A 6 13.387 27.350 18.192 1.00 11.86 C ATOM 103 O CYS A 6 13.870 28.123 19.020 1.00 13.27 O ATOM 104 CB CYS A 6 14.715 27.612 16.086 1.00 13.64 C ATOM 105 SG CYS A 6 16.083 27.039 15.041 1.00 16.20 S ATOM 106 H CYS A 6 13.398 25.506 15.664 1.00 0.00 H ATOM 107 HA CYS A 6 15.216 26.368 17.775 1.00 0.00 H ATOM 108 HB3 CYS A 6 15.031 28.563 16.513 1.00 0.00 H ATOM 109 HB2 CYS A 6 13.857 27.831 15.448 1.00 0.00 H ATOM 110 N GLU A 7 12.077 27.047 18.163 1.00 12.12 N ATOM 111 CA GLU A 7 11.114 27.459 19.183 1.00 12.07 C ATOM 112 C GLU A 7 11.405 26.732 20.508 1.00 11.12 C ATOM 113 O GLU A 7 11.437 27.382 21.553 1.00 12.80 O ATOM 114 CB GLU A 7 9.682 27.156 18.691 1.00 16.60 C ATOM 115 CG GLU A 7 8.555 27.544 19.678 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 18.615 1.00 21.23 O ATOM 118 OE2 GLU A 7 6.203 27.482 19.882 1.00 26.51 O1- ATOM 119 H GLU A 7 11.755 26.384 17.471 1.00 0.00 H ATOM 120 HA GLU A 7 11.210 28.534 19.346 1.00 0.00 H ATOM 121 HB3 GLU A 7 9.614 26.094 18.470 1.00 0.00 H ATOM 122 HB2 GLU A 7 9.509 27.667 17.743 1.00 0.00 H ATOM 123 HG3 GLU A 7 8.463 28.630 19.715 1.00 0.00 H ATOM 124 HG2 GLU A 7 8.783 27.224 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 12.025 24.587 21.607 1.00 10.90 C ATOM 127 C LEU A 8 13.402 24.966 22.169 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 12.014 23.091 21.216 1.00 11.53 C ATOM 130 CG LEU A 8 12.275 22.100 22.376 1.00 11.62 C ATOM 131 CD1 LEU A 8 11.240 22.218 23.506 1.00 14.29 C ATOM 132 CD2 LEU A 8 12.330 20.661 21.856 1.00 16.83 C ATOM 133 H LEU A 8 11.616 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 12.748 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 13.253 22.307 22.807 1.00 0.00 H ATOM 138 HD11 LEU A 8 11.425 21.476 24.283 1.00 0.00 H ATOM 139 HD12 LEU A 8 11.276 23.194 23.989 1.00 0.00 H ATOM 140 HD13 LEU A 8 10.226 22.066 23.134 1.00 0.00 H ATOM 141 HD21 LEU A 8 12.520 19.956 22.665 1.00 0.00 H ATOM 142 HD22 LEU A 8 11.392 20.380 21.378 1.00 0.00 H ATOM 143 HD23 LEU A 8 13.127 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 15.755 26.946 22.545 1.00 12.02 C ATOM 147 O ALA A 9 16.428 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 14.201 25.179 20.317 1.00 0.00 H ATOM 150 HA ALA A 9 16.164 24.852 22.304 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 14.794 29.204 22.903 1.00 12.26 C ATOM 156 C ARG A 10 13.939 29.024 24.170 1.00 11.30 C ATOM 157 O ARG A 10 14.198 29.715 25.153 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 30.785 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 31.525 19.381 1.00 20.21 N ATOM 162 CZ ARG A 10 13.126 31.142 18.095 1.00 19.83 C ATOM 163 NH1 ARG A 10 14.223 31.089 17.327 1.00 20.32 N ATOM 164 NH2 ARG A 10 11.941 30.802 17.571 1.00 23.03 N1+ ATOM 165 H ARG A 10 14.424 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 13.818 31.114 22.623 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.194 29.853 21.590 1.00 0.00 H ATOM 169 HG3 ARG A 10 15.288 29.980 20.198 1.00 0.00 H ATOM 170 HG2 ARG A 10 15.963 31.129 21.313 1.00 0.00 H ATOM 171 HD3 ARG A 10 15.118 32.381 19.417 1.00 0.00 H ATOM 172 HD2 ARG A 10 14.119 32.749 20.796 1.00 0.00 H ATOM 173 HE ARG A 10 12.332 31.518 19.920 1.00 0.00 H ATOM 174 HH12 ARG A 10 14.160 30.829 16.354 1.00 0.00 H ATOM 175 HH11 ARG A 10 15.129 31.312 17.721 1.00 0.00 H ATOM 176 HH22 ARG A 10 11.870 30.517 16.604 1.00 0.00 H ATOM 177 HH21 ARG A 10 11.102 30.841 18.131 1.00 0.00 H ATOM 178 N THR A 11 12.958 28.102 24.176 1.00 11.61 N ATOM 179 CA THR A 11 12.101 27.820 25.335 1.00 11.60 C ATOM 180 C THR A 11 12.907 27.118 26.442 1.00 11.46 C ATOM 181 O THR A 11 12.797 27.509 27.603 1.00 12.79 O ATOM 182 CB THR A 11 10.888 26.949 24.910 1.00 13.51 C ATOM 183 OG1 THR A 11 10.081 27.691 24.016 1.00 15.51 O ATOM 184 CG2 THR A 11 9.955 26.549 26.069 1.00 15.20 C ATOM 185 H THR A 11 12.806 27.556 23.339 1.00 0.00 H ATOM 186 HA THR A 11 11.735 28.766 25.739 1.00 0.00 H ATOM 187 HB THR A 11 11.225 26.046 24.402 1.00 0.00 H ATOM 188 HG1 THR A 11 10.546 27.771 23.193 1.00 0.00 H ATOM 189 HG21 THR A 11 9.097 25.984 25.705 1.00 0.00 H ATOM 190 HG22 THR A 11 10.459 25.920 26.801 1.00 0.00 H ATOM 191 HG23 THR A 11 9.576 27.426 26.595 1.00 0.00 H ATOM 192 N LEU A 12 13.749 26.133 26.084 1.00 10.78 N ATOM 193 CA LEU A 12 14.638 25.421 27.002 1.00 11.18 C ATOM 194 C LEU A 12 15.751 26.333 27.551 1.00 11.18 C ATOM 195 O LEU A 12 16.110 26.190 28.719 1.00 12.56 O ATOM 196 CB LEU A 12 15.276 24.215 26.277 1.00 12.02 C ATOM 197 CG LEU A 12 14.322 23.058 25.904 1.00 12.75 C ATOM 198 CD1 LEU A 12 15.069 22.010 25.062 1.00 17.07 C ATOM 199 CD2 LEU A 12 13.667 22.396 27.122 1.00 16.49 C ATOM 200 H LEU A 12 13.784 25.863 25.109 1.00 0.00 H ATOM 201 HA LEU A 12 14.057 25.076 27.857 1.00 0.00 H ATOM 202 HB3 LEU A 12 16.087 23.805 26.879 1.00 0.00 H ATOM 203 HB2 LEU A 12 15.737 24.582 25.362 1.00 0.00 H ATOM 204 HG LEU A 12 13.511 23.452 25.295 1.00 0.00 H ATOM 205 HD11 LEU A 12 14.403 21.204 24.750 1.00 0.00 H ATOM 206 HD12 LEU A 12 15.487 22.459 24.161 1.00 0.00 H ATOM 207 HD13 LEU A 12 15.891 21.564 25.621 1.00 0.00 H ATOM 208 HD21 LEU A 12 13.000 21.594 26.808 1.00 0.00 H ATOM 209 HD22 LEU A 12 14.414 21.969 27.789 1.00 0.00 H ATOM 210 HD23 LEU A 12 13.063 23.101 27.690 1.00 0.00 H ATOM 211 N LYS A 13 16.257 27.292 26.751 1.00 11.39 N ATOM 212 CA LYS A 13 17.253 28.275 27.185 1.00 11.97 C ATOM 213 C LYS A 13 16.678 29.287 28.197 1.00 12.47 C ATOM 214 O LYS A 13 17.370 29.611 29.162 1.00 13.70 O ATOM 215 CB LYS A 13 17.851 29.003 25.960 1.00 16.60 C ATOM 216 CG LYS A 13 18.973 29.997 26.337 1.00 22.62 C ATOM 217 CD LYS A 13 20.166 30.002 25.374 1.00 30.87 C ATOM 218 CE LYS A 13 21.275 30.957 25.845 1.00 37.86 C ATOM 219 NZ LYS A 13 22.588 30.575 25.302 1.00 58.06 N1+ ATOM 220 H LYS A 13 15.927 27.351 25.797 1.00 0.00 H ATOM 221 HA LYS A 13 18.061 27.728 27.678 1.00 0.00 H ATOM 222 HB3 LYS A 13 17.075 29.519 25.394 1.00 0.00 H ATOM 223 HB2 LYS A 13 18.253 28.248 25.285 1.00 0.00 H ATOM 224 HG3 LYS A 13 19.366 29.737 27.321 1.00 0.00 H ATOM 225 HG2 LYS A 13 18.558 31.001 26.434 1.00 0.00 H ATOM 226 HD3 LYS A 13 19.846 30.266 24.366 1.00 0.00 H ATOM 227 HD2 LYS A 13 20.565 28.988 25.318 1.00 0.00 H ATOM 228 HE3 LYS A 13 21.361 30.942 26.932 1.00 0.00 H ATOM 229 HE2 LYS A 13 21.041 31.982 25.556 1.00 0.00 H ATOM 230 HZ1 LYS A 13 22.551 30.506 24.287 1.00 0.00 H ATOM 231 HZ2 LYS A 13 23.287 31.253 25.566 1.00 0.00 H ATOM 232 HZ3 LYS A 13 22.852 29.668 25.672 1.00 0.00 H ATOM 233 N ARG A 14 15.416 29.732 28.031 1.00 12.34 N ATOM 234 CA ARG A 14 14.722 30.598 28.994 1.00 12.96 C ATOM 235 C ARG A 14 14.399 29.871 30.310 1.00 11.94 C ATOM 236 O ARG A 14 14.406 30.505 31.364 1.00 14.46 O ATOM 237 CB AARG A 14 13.391 31.111 28.410 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 13.547 32.233 27.372 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 12.220 32.944 27.061 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 11.170 31.996 26.657 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 25.402 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 11.525 32.126 24.347 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 25.203 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 29.430 27.215 1.00 0.00 H ATOM 252 HA ARG A 14 15.363 31.449 29.233 1.00 0.00 H ATOM 253 HB3AARG A 14 12.772 31.505 29.219 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 12.827 30.280 27.983 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 13.996 31.856 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 14.244 32.978 27.757 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 12.360 33.712 26.301 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 33.464 27.954 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 10.654 31.573 27.417 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 11.275 31.853 23.409 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 12.279 32.782 24.492 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 9.635 30.445 24.271 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 9.359 30.375 25.986 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 14.150 28.553 30.254 1.00 11.41 N ATOM 276 CA LEU A 15 13.910 27.702 31.419 1.00 11.71 C ATOM 277 C LEU A 15 15.227 27.164 32.027 1.00 12.33 C ATOM 278 O LEU A 15 15.173 26.344 32.942 1.00 15.00 O ATOM 279 CB LEU A 15 12.990 26.530 31.007 1.00 13.70 C ATOM 280 CG LEU A 15 11.555 26.941 30.599 1.00 15.21 C ATOM 281 CD1 LEU A 15 10.825 25.778 29.911 1.00 16.24 C ATOM 282 CD2 LEU A 15 10.729 27.444 31.795 1.00 20.49 C ATOM 283 H LEU A 15 14.145 28.106 29.348 1.00 0.00 H ATOM 284 HA LEU A 15 13.423 28.279 32.205 1.00 0.00 H ATOM 285 HB3 LEU A 15 12.895 25.837 31.842 1.00 0.00 H ATOM 286 HB2 LEU A 15 13.461 25.973 30.196 1.00 0.00 H ATOM 287 HG LEU A 15 11.612 27.754 29.877 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 29.055 1.00 0.00 H ATOM 290 HD13 LEU A 15 10.671 24.946 30.599 1.00 0.00 H ATOM 291 HD21 LEU A 15 9.712 27.694 31.489 1.00 0.00 H ATOM 292 HD22 LEU A 15 10.659 26.686 32.577 1.00 0.00 H ATOM 293 HD23 LEU A 15 11.159 28.342 32.235 1.00 0.00 H ATOM 294 N GLY A 16 16.398 27.659 31.583 1.00 12.66 N ATOM 295 CA GLY A 16 17.693 27.491 32.241 1.00 13.48 C ATOM 296 C GLY A 16 18.378 26.136 32.032 1.00 12.84 C ATOM 297 O GLY A 16 19.131 25.711 32.908 1.00 15.76 O ATOM 298 H GLY A 16 16.364 28.320 30.819 1.00 0.00 H ATOM 299 HA3 GLY A 16 17.584 27.679 33.310 1.00 0.00 H ATOM 300 HA2 GLY A 16 18.360 28.265 31.862 1.00 0.00 H ATOM 301 N MET A 17 18.108 25.449 30.911 1.00 11.57 N ATOM 302 CA MET A 17 18.641 24.115 30.620 1.00 11.60 C ATOM 303 C MET A 17 20.040 24.138 29.984 1.00 11.86 C ATOM 304 O MET A 17 20.746 23.136 30.094 1.00 14.20 O ATOM 305 CB MET A 17 17.688 23.399 29.642 1.00 13.14 C ATOM 306 CG MET A 17 16.395 22.944 30.328 1.00 14.11 C ATOM 307 SD MET A 17 16.645 21.526 31.435 1.00 18.03 S ATOM 308 CE MET A 17 15.828 20.227 30.477 1.00 24.42 C ATOM 309 H MET A 17 17.464 25.851 30.242 1.00 0.00 H ATOM 310 HA MET A 17 18.712 23.537 31.543 1.00 0.00 H ATOM 311 HB3 MET A 17 18.162 22.518 29.208 1.00 0.00 H ATOM 312 HB2 MET A 17 17.464 24.048 28.798 1.00 0.00 H ATOM 313 HG3 MET A 17 15.652 22.679 29.577 1.00 0.00 H ATOM 314 HG2 MET A 17 15.958 23.763 30.901 1.00 0.00 H ATOM 315 HE1 MET A 17 15.950 19.266 30.975 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 16.255 20.161 29.477 1.00 0.00 H ATOM 318 N ASP A 18 20.461 25.247 29.347 1.00 12.93 N ATOM 319 CA ASP A 18 21.769 25.362 28.694 1.00 14.41 C ATOM 320 C ASP A 18 22.891 25.400 29.750 1.00 14.70 C ATOM 321 O ASP A 18 22.996 26.354 30.522 1.00 17.65 O ATOM 322 CB ASP A 18 21.792 26.625 27.796 1.00 16.44 C ATOM 323 CG ASP A 18 23.038 26.752 26.905 1.00 19.56 C ATOM 324 OD1 ASP A 18 23.642 25.702 26.586 1.00 20.72 O ATOM 325 OD2 ASP A 18 23.340 27.906 26.526 1.00 29.13 O1- ATOM 326 H ASP A 18 19.850 26.049 29.314 1.00 0.00 H ATOM 327 HA ASP A 18 21.895 24.480 28.061 1.00 0.00 H ATOM 328 HB3 ASP A 18 21.702 27.525 28.407 1.00 0.00 H ATOM 329 HB2 ASP A 18 20.922 26.623 27.139 1.00 0.00 H ATOM 330 N GLY A 19 23.697 24.331 29.787 1.00 12.95 N ATOM 331 CA GLY A 19 24.774 24.116 30.746 1.00 15.05 C ATOM 332 C GLY A 19 24.325 23.552 32.102 1.00 12.69 C ATOM 333 O GLY A 19 25.160 23.475 33.003 1.00 15.26 O ATOM 334 H GLY A 19 23.517 23.578 29.136 1.00 0.00 H ATOM 335 HA3 GLY A 19 25.323 25.045 30.907 1.00 0.00 H ATOM 336 HA2 GLY A 19 25.480 23.412 30.305 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 22.514 22.597 33.516 1.00 11.95 C ATOM 339 C TYR A 20 23.117 21.206 33.753 1.00 11.72 C ATOM 340 O TYR A 20 22.906 20.300 32.947 1.00 12.45 O ATOM 341 CB TYR A 20 20.973 22.488 33.461 1.00 12.49 C ATOM 342 CG TYR A 20 20.371 22.107 34.807 1.00 12.45 C ATOM 343 CD1 TYR A 20 20.057 23.118 35.738 1.00 15.37 C ATOM 344 CD2 TYR A 20 20.201 20.751 35.167 1.00 12.41 C ATOM 345 CE1 TYR A 20 19.610 22.779 37.028 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 19.074 21.103 38.658 1.00 20.08 O ATOM 349 H TYR A 20 22.413 23.231 31.482 1.00 0.00 H ATOM 350 HA TYR A 20 22.789 23.267 34.334 1.00 0.00 H ATOM 351 HB3 TYR A 20 20.651 21.774 32.701 1.00 0.00 H ATOM 352 HB2 TYR A 20 20.556 23.448 33.160 1.00 0.00 H ATOM 353 HD1 TYR A 20 20.187 24.158 35.473 1.00 0.00 H ATOM 354 HD2 TYR A 20 20.442 19.968 34.462 1.00 0.00 H ATOM 355 HE1 TYR A 20 19.388 23.562 37.739 1.00 0.00 H ATOM 356 HE2 TYR A 20 19.659 19.374 36.740 1.00 0.00 H ATOM 357 HH TYR A 20 19.000 21.864 39.215 1.00 0.00 H ATOM 358 N ARG A 21 23.899 21.069 34.840 1.00 13.06 N ATOM 359 CA ARG A 21 24.642 19.861 35.223 1.00 14.28 C ATOM 360 C ARG A 21 25.746 19.505 34.201 1.00 13.33 C ATOM 361 O ARG A 21 26.129 18.343 34.072 1.00 14.35 O ATOM 362 CB ARG A 21 23.682 18.693 35.575 1.00 16.78 C ATOM 363 CG ARG A 21 23.016 18.849 36.958 1.00 25.30 C ATOM 364 CD ARG A 21 23.882 18.300 38.102 1.00 33.61 C ATOM 365 NE ARG A 21 23.987 16.839 37.994 1.00 56.79 N ATOM 366 CZ ARG A 21 24.916 16.031 38.526 1.00 61.31 C ATOM 367 NH1 ARG A 21 25.901 16.509 39.297 1.00 60.56 N ATOM 368 NH2 ARG A 21 24.845 14.718 38.276 1.00 45.90 N1+ ATOM 369 H ARG A 21 24.022 21.880 35.429 1.00 0.00 H ATOM 370 HA ARG A 21 25.191 20.124 36.127 1.00 0.00 H ATOM 371 HB3 ARG A 21 24.200 17.735 35.540 1.00 0.00 H ATOM 372 HB2 ARG A 21 22.901 18.598 34.821 1.00 0.00 H ATOM 373 HG3 ARG A 21 22.068 18.311 36.961 1.00 0.00 H ATOM 374 HG2 ARG A 21 22.758 19.892 37.144 1.00 0.00 H ATOM 375 HD3 ARG A 21 23.435 18.544 39.066 1.00 0.00 H ATOM 376 HD2 ARG A 21 24.874 18.751 38.082 1.00 0.00 H ATOM 377 HE ARG A 21 23.252 16.389 37.459 1.00 0.00 H ATOM 378 HH12 ARG A 21 26.593 15.889 39.691 1.00 0.00 H ATOM 379 HH11 ARG A 21 25.956 17.499 39.488 1.00 0.00 H ATOM 380 HH22 ARG A 21 25.528 14.082 38.659 1.00 0.00 H ATOM 381 HH21 ARG A 21 24.082 14.346 37.723 1.00 0.00 H ATOM 382 N GLY A 22 26.243 20.515 33.465 1.00 12.43 N ATOM 383 CA GLY A 22 27.242 20.401 32.406 1.00 12.76 C ATOM 384 C GLY A 22 26.683 19.990 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 25.868 21.441 33.627 1.00 0.00 H ATOM 387 HA3 GLY A 22 28.019 19.694 32.700 1.00 0.00 H ATOM 388 HA2 GLY A 22 27.730 21.370 32.298 1.00 0.00 H ATOM 389 N ILE A 23 25.355 19.829 30.897 1.00 11.07 N ATOM 390 CA ILE A 23 24.694 19.370 29.675 1.00 11.77 C ATOM 391 C ILE A 23 24.320 20.615 28.857 1.00 10.74 C ATOM 392 O ILE A 23 23.501 21.425 29.292 1.00 12.48 O ATOM 393 CB ILE A 23 23.405 18.575 30.040 1.00 10.86 C ATOM 394 CG1 ILE A 23 23.696 17.379 30.980 1.00 12.80 C ATOM 395 CG2 ILE A 23 22.668 18.067 28.780 1.00 13.41 C ATOM 396 CD1 ILE A 23 22.461 16.900 31.749 1.00 14.46 C ATOM 397 H ILE A 23 24.765 20.003 31.699 1.00 0.00 H ATOM 398 HA ILE A 23 25.359 18.723 29.098 1.00 0.00 H ATOM 399 HB ILE A 23 22.728 19.248 30.567 1.00 0.00 H ATOM 400 HG13 ILE A 23 24.447 17.634 31.727 1.00 0.00 H ATOM 401 HG12 ILE A 23 24.121 16.553 30.408 1.00 0.00 H ATOM 402 HG21 ILE A 23 21.745 17.556 29.041 1.00 0.00 H ATOM 403 HG22 ILE A 23 22.381 18.875 28.109 1.00 0.00 H ATOM 404 HG23 ILE A 23 23.284 17.370 28.212 1.00 0.00 H ATOM 405 HD11 ILE A 23 22.702 16.024 32.351 1.00 0.00 H ATOM 406 HD12 ILE A 23 22.097 17.676 32.422 1.00 0.00 H ATOM 407 HD13 ILE A 23 21.645 16.630 31.082 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 24.614 21.784 26.679 1.00 11.97 C ATOM 410 C SER A 24 23.193 21.647 26.104 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 25.672 21.722 25.553 1.00 12.92 C ATOM 413 OG SER A 24 25.511 20.611 24.689 1.00 13.62 O ATOM 414 H SER A 24 25.562 20.023 27.373 1.00 0.00 H ATOM 415 HA SER A 24 24.698 22.748 27.187 1.00 0.00 H ATOM 416 HB3 SER A 24 26.678 21.704 25.974 1.00 0.00 H ATOM 417 HB2 SER A 24 25.610 22.625 24.945 1.00 0.00 H ATOM 418 HG SER A 24 26.164 20.667 24.007 1.00 0.00 H ATOM 419 N LEU A 25 22.646 22.768 25.613 1.00 12.17 N ATOM 420 CA LEU A 25 21.343 22.864 24.953 1.00 12.23 C ATOM 421 C LEU A 25 21.202 21.941 23.726 1.00 12.01 C ATOM 422 O LEU A 25 20.113 21.436 23.471 1.00 12.74 O ATOM 423 CB ALEU A 25 21.118 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 19.773 24.695 23.929 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 18.571 24.388 24.831 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 19.780 26.170 23.521 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 23.168 23.630 25.707 1.00 0.00 H ATOM 432 HA LEU A 25 20.592 22.563 25.683 1.00 0.00 H ATOM 433 HB3ALEU A 25 21.931 24.671 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 21.210 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 19.659 24.116 23.013 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 17.651 24.657 24.316 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 18.501 23.328 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 18.612 24.950 25.765 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 18.884 26.430 22.961 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 19.840 26.821 24.392 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 20.638 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 22.391 20.793 21.851 1.00 12.16 C ATOM 453 C ALA A 26 22.151 19.311 22.195 1.00 12.03 C ATOM 454 O ALA A 26 21.562 18.595 21.386 1.00 12.52 O ATOM 455 CB ALA A 26 23.790 20.958 21.243 1.00 14.36 C ATOM 456 H ALA A 26 23.166 22.121 23.306 1.00 0.00 H ATOM 457 HA ALA A 26 21.646 21.099 21.117 1.00 0.00 H ATOM 458 HB1 ALA A 26 23.907 20.349 20.352 1.00 0.00 H ATOM 459 HB2 ALA A 26 23.976 21.992 20.956 1.00 0.00 H ATOM 460 HB3 ALA A 26 24.571 20.665 21.946 1.00 0.00 H ATOM 461 N ASN A 27 22.557 18.866 23.399 1.00 11.30 N ATOM 462 CA ASN A 27 22.316 17.516 23.917 1.00 11.72 C ATOM 463 C ASN A 27 20.892 17.338 24.470 1.00 11.31 C ATOM 464 O ASN A 27 20.350 16.238 24.359 1.00 12.02 O ATOM 465 CB ASN A 27 23.326 17.198 25.045 1.00 11.67 C ATOM 466 CG ASN A 27 24.685 16.762 24.496 1.00 12.91 C ATOM 467 OD1 ASN A 27 24.795 15.686 23.911 1.00 15.81 O ATOM 468 ND2 ASN A 27 25.718 17.586 24.665 1.00 15.94 N ATOM 469 H ASN A 27 23.016 19.523 24.017 1.00 0.00 H ATOM 470 HA ASN A 27 22.435 16.793 23.107 1.00 0.00 H ATOM 471 HB3 ASN A 27 22.966 16.376 25.665 1.00 0.00 H ATOM 472 HB2 ASN A 27 23.443 18.048 25.718 1.00 0.00 H ATOM 473 HD22 ASN A 27 26.627 17.323 24.311 1.00 0.00 H ATOM 474 HD21 ASN A 27 25.585 18.485 25.109 1.00 0.00 H ATOM 475 N TRP A 28 20.267 18.404 25.003 1.00 10.26 N ATOM 476 CA TRP A 28 18.860 18.413 25.420 1.00 10.77 C ATOM 477 C TRP A 28 17.907 18.410 24.215 1.00 11.26 C ATOM 478 O TRP A 28 16.847 17.788 24.273 1.00 11.17 O ATOM 479 CB TRP A 28 18.565 19.681 26.244 1.00 10.49 C ATOM 480 CG TRP A 28 19.087 19.689 27.645 1.00 10.02 C ATOM 481 CD1 TRP A 28 19.979 20.569 28.149 1.00 12.17 C ATOM 482 CD2 TRP A 28 18.721 18.811 28.751 1.00 10.69 C ATOM 483 NE1 TRP A 28 20.180 20.307 29.486 1.00 12.53 N ATOM 484 CE2 TRP A 28 19.411 19.250 29.921 1.00 11.35 C ATOM 485 CE3 TRP A 28 17.857 17.700 28.894 1.00 12.47 C ATOM 486 CZ2 TRP A 28 19.232 18.640 31.173 1.00 13.34 C ATOM 487 CZ3 TRP A 28 17.677 17.069 30.141 1.00 14.07 C ATOM 488 CH2 TRP A 28 18.351 17.549 31.282 1.00 14.86 C ATOM 489 H TRP A 28 20.779 19.273 25.075 1.00 0.00 H ATOM 490 HA TRP A 28 18.653 17.525 26.020 1.00 0.00 H ATOM 491 HB3 TRP A 28 17.486 19.817 26.339 1.00 0.00 H ATOM 492 HB2 TRP A 28 18.930 20.567 25.724 1.00 0.00 H ATOM 493 HD1 TRP A 28 20.440 21.370 27.592 1.00 0.00 H ATOM 494 HE1 TRP A 28 20.795 20.873 30.056 1.00 0.00 H ATOM 495 HE3 TRP A 28 17.312 17.341 28.034 1.00 0.00 H ATOM 496 HZ2 TRP A 28 19.759 19.011 32.039 1.00 0.00 H ATOM 497 HZ3 TRP A 28 17.006 16.227 30.226 1.00 0.00 H ATOM 498 HH2 TRP A 28 18.189 17.082 32.240 1.00 0.00 H ATOM 499 N MET A 29 18.302 19.083 23.122 1.00 10.67 N ATOM 500 CA MET A 29 17.566 19.143 21.866 1.00 10.61 C ATOM 501 C MET A 29 17.691 17.833 21.074 1.00 11.13 C ATOM 502 O MET A 29 16.724 17.438 20.426 1.00 11.94 O ATOM 503 CB MET A 29 18.132 20.297 21.015 1.00 11.54 C ATOM 504 CG MET A 29 17.594 21.683 21.400 1.00 12.10 C ATOM 505 SD MET A 29 15.807 21.916 21.205 1.00 14.40 S ATOM 506 CE MET A 29 15.600 21.604 19.436 1.00 17.16 C ATOM 507 H MET A 29 19.172 19.596 23.171 1.00 0.00 H ATOM 508 HA MET A 29 16.507 19.306 22.072 1.00 0.00 H ATOM 509 HB3 MET A 29 17.886 20.134 19.972 1.00 0.00 H ATOM 510 HB2 MET A 29 19.222 20.299 21.056 1.00 0.00 H ATOM 511 HG3 MET A 29 18.089 22.443 20.798 1.00 0.00 H ATOM 512 HG2 MET A 29 17.834 21.906 22.439 1.00 0.00 H ATOM 513 HE1 MET A 29 14.548 21.687 19.168 1.00 0.00 H ATOM 514 HE2 MET A 29 16.175 22.320 18.849 1.00 0.00 H ATOM 515 HE3 MET A 29 15.918 20.597 19.176 1.00 0.00 H ATOM 516 N CYS A 30 18.839 17.135 21.161 1.00 11.31 N ATOM 517 CA CYS A 30 19.035 15.806 20.582 1.00 11.47 C ATOM 518 C CYS A 30 18.188 14.757 21.325 1.00 12.45 C ATOM 519 O CYS A 30 17.545 13.936 20.672 1.00 12.88 O ATOM 520 CB CYS A 30 20.530 15.434 20.628 1.00 12.22 C ATOM 521 SG CYS A 30 20.941 13.900 19.749 1.00 13.65 S ATOM 522 H CYS A 30 19.602 17.530 21.694 1.00 0.00 H ATOM 523 HA CYS A 30 18.719 15.837 19.537 1.00 0.00 H ATOM 524 HB3 CYS A 30 20.892 15.367 21.655 1.00 0.00 H ATOM 525 HB2 CYS A 30 21.110 16.227 20.157 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 13.988 23.522 1.00 12.27 C ATOM 528 C LEU A 31 15.795 14.127 23.152 1.00 11.08 C ATOM 529 O LEU A 31 15.148 13.122 22.871 1.00 12.30 O ATOM 530 CB LEU A 31 17.539 14.326 25.012 1.00 13.03 C ATOM 531 CG LEU A 31 16.633 13.595 26.035 1.00 12.69 C ATOM 532 CD1 LEU A 31 16.905 12.087 26.076 1.00 15.53 C ATOM 533 CD2 LEU A 31 16.765 14.209 27.434 1.00 16.22 C ATOM 534 H LEU A 31 18.694 15.524 23.134 1.00 0.00 H ATOM 535 HA LEU A 31 17.576 12.952 23.344 1.00 0.00 H ATOM 536 HB3 LEU A 31 17.419 15.399 25.153 1.00 0.00 H ATOM 537 HB2 LEU A 31 18.583 14.117 25.250 1.00 0.00 H ATOM 538 HG LEU A 31 15.589 13.731 25.756 1.00 0.00 H ATOM 539 HD11 LEU A 31 16.149 11.587 26.679 1.00 0.00 H ATOM 540 HD12 LEU A 31 16.869 11.631 25.088 1.00 0.00 H ATOM 541 HD13 LEU A 31 17.879 11.874 26.514 1.00 0.00 H ATOM 542 HD21 LEU A 31 16.083 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 15.269 27.419 1.00 0.00 H ATOM 545 N ALA A 32 15.274 15.365 23.113 1.00 11.51 N ATOM 546 CA ALA A 32 13.874 15.677 22.821 1.00 11.12 C ATOM 547 C ALA A 32 13.430 15.284 21.401 1.00 11.09 C ATOM 548 O ALA A 32 12.264 14.935 21.208 1.00 13.12 O ATOM 549 CB ALA A 32 13.656 17.184 23.023 1.00 12.81 C ATOM 550 H ALA A 32 15.878 16.141 23.349 1.00 0.00 H ATOM 551 HA ALA A 32 13.254 15.133 23.535 1.00 0.00 H ATOM 552 HB1 ALA A 32 12.619 17.461 22.832 1.00 0.00 H ATOM 553 HB2 ALA A 32 13.887 17.479 24.047 1.00 0.00 H ATOM 554 HB3 ALA A 32 14.287 17.776 22.358 1.00 0.00 H ATOM 555 N LYS A 33 14.357 15.303 20.424 1.00 10.96 N ATOM 556 CA LYS A 33 14.105 14.937 19.032 1.00 12.88 C ATOM 557 C LYS A 33 13.901 13.425 18.877 1.00 12.92 C ATOM 558 O LYS A 33 12.998 13.010 18.154 1.00 14.54 O ATOM 559 CB LYS A 33 15.300 15.385 18.154 1.00 14.78 C ATOM 560 CG LYS A 33 15.003 15.352 16.642 1.00 24.35 C ATOM 561 CD LYS A 33 15.452 14.065 15.924 1.00 31.88 C ATOM 562 CE LYS A 33 14.633 13.765 14.661 1.00 43.51 C ATOM 563 NZ LYS A 33 14.754 14.839 13.661 1.00 44.62 N1+ ATOM 564 H LYS A 33 15.296 15.593 20.665 1.00 0.00 H ATOM 565 HA LYS A 33 13.200 15.454 18.704 1.00 0.00 H ATOM 566 HB3 LYS A 33 16.205 14.820 18.384 1.00 0.00 H ATOM 567 HB2 LYS A 33 15.540 16.414 18.409 1.00 0.00 H ATOM 568 HG3 LYS A 33 15.504 16.195 16.166 1.00 0.00 H ATOM 569 HG2 LYS A 33 13.937 15.525 16.485 1.00 0.00 H ATOM 570 HD3 LYS A 33 15.358 13.207 16.587 1.00 0.00 H ATOM 571 HD2 LYS A 33 16.514 14.127 15.685 1.00 0.00 H ATOM 572 HE3 LYS A 33 13.581 13.631 14.915 1.00 0.00 H ATOM 573 HE2 LYS A 33 14.972 12.830 14.213 1.00 0.00 H ATOM 574 HZ1 LYS A 33 14.419 15.706 14.057 1.00 0.00 H ATOM 575 HZ2 LYS A 33 15.722 14.943 13.394 1.00 0.00 H ATOM 576 HZ3 LYS A 33 14.204 14.607 12.847 1.00 0.00 H ATOM 577 N TRP A 34 14.743 12.608 19.529 1.00 12.70 N ATOM 578 CA TRP A 34 14.748 11.156 19.360 1.00 13.46 C ATOM 579 C TRP A 34 13.863 10.415 20.367 1.00 13.18 C ATOM 580 O TRP A 34 13.552 9.249 20.129 1.00 18.23 O ATOM 581 CB TRP A 34 16.201 10.659 19.453 1.00 14.44 C ATOM 582 CG TRP A 34 17.001 11.036 18.243 1.00 13.70 C ATOM 583 CD1 TRP A 34 18.056 11.879 18.215 1.00 14.63 C ATOM 584 CD2 TRP A 34 16.778 10.631 16.857 1.00 16.12 C ATOM 585 NE1 TRP A 34 18.479 12.049 16.915 1.00 17.71 N ATOM 586 CE2 TRP A 34 17.725 11.308 16.031 1.00 16.71 C ATOM 587 CE3 TRP A 34 15.858 9.772 16.209 1.00 17.51 C ATOM 588 CZ2 TRP A 34 17.749 11.155 14.635 1.00 23.07 C ATOM 589 CZ3 TRP A 34 15.874 9.608 14.809 1.00 23.60 C ATOM 590 CH2 TRP A 34 16.815 10.300 14.022 1.00 24.86 C ATOM 591 H TRP A 34 15.463 13.016 20.110 1.00 0.00 H ATOM 592 HA TRP A 34 14.359 10.897 18.374 1.00 0.00 H ATOM 593 HB3 TRP A 34 16.226 9.572 19.534 1.00 0.00 H ATOM 594 HB2 TRP A 34 16.685 11.046 20.352 1.00 0.00 H ATOM 595 HD1 TRP A 34 18.484 12.356 19.080 1.00 0.00 H ATOM 596 HE1 TRP A 34 19.229 12.681 16.664 1.00 0.00 H ATOM 597 HE3 TRP A 34 15.127 9.237 16.797 1.00 0.00 H ATOM 598 HZ2 TRP A 34 18.477 11.688 14.040 1.00 0.00 H ATOM 599 HZ3 TRP A 34 15.159 8.949 14.339 1.00 0.00 H ATOM 600 HH2 TRP A 34 16.822 10.171 12.949 1.00 0.00 H ATOM 601 N GLU A 35 13.407 11.082 21.440 1.00 12.38 N ATOM 602 CA GLU A 35 12.441 10.526 22.383 1.00 13.11 C ATOM 603 C GLU A 35 11.001 10.763 21.895 1.00 13.40 C ATOM 604 O GLU A 35 10.179 9.858 22.025 1.00 14.31 O ATOM 605 CB GLU A 35 12.618 11.217 23.757 1.00 13.51 C ATOM 606 CG GLU A 35 13.859 10.751 24.553 1.00 13.78 C ATOM 607 CD GLU A 35 13.844 9.297 25.041 1.00 15.30 C ATOM 608 OE1 GLU A 35 12.846 8.585 24.797 1.00 17.48 O ATOM 609 OE2 GLU A 35 14.862 8.909 25.653 1.00 19.70 O1- ATOM 610 H GLU A 35 13.732 12.025 21.602 1.00 0.00 H ATOM 611 HA GLU A 35 12.585 9.449 22.475 1.00 0.00 H ATOM 612 HB3 GLU A 35 11.740 11.053 24.380 1.00 0.00 H ATOM 613 HB2 GLU A 35 12.663 12.299 23.624 1.00 0.00 H ATOM 614 HG3 GLU A 35 13.980 11.392 25.427 1.00 0.00 H ATOM 615 HG2 GLU A 35 14.758 10.877 23.952 1.00 0.00 H ATOM 616 N SER A 36 10.686 11.941 21.325 1.00 13.52 N ATOM 617 CA SER A 36 9.307 12.359 21.045 1.00 13.25 C ATOM 618 C SER A 36 9.068 13.005 19.674 1.00 13.07 C ATOM 619 O SER A 36 7.910 13.135 19.276 1.00 15.89 O ATOM 620 CB SER A 36 8.807 13.245 22.200 1.00 13.02 C ATOM 621 OG SER A 36 9.352 14.546 22.098 1.00 13.33 O ATOM 622 H SER A 36 11.414 12.633 21.224 1.00 0.00 H ATOM 623 HA SER A 36 8.665 11.477 21.035 1.00 0.00 H ATOM 624 HB3 SER A 36 9.042 12.814 23.174 1.00 0.00 H ATOM 625 HB2 SER A 36 7.723 13.329 22.148 1.00 0.00 H ATOM 626 HG SER A 36 10.272 14.505 22.320 1.00 0.00 H ATOM 627 N GLY A 37 10.121 13.468 18.981 1.00 14.49 N ATOM 628 CA GLY A 37 9.994 14.312 17.791 1.00 14.62 C ATOM 629 C GLY A 37 9.544 15.748 18.106 1.00 12.70 C ATOM 630 O GLY A 37 8.974 16.404 17.236 1.00 16.12 O ATOM 631 H GLY A 37 11.052 13.306 19.337 1.00 0.00 H ATOM 632 HA3 GLY A 37 9.296 13.858 17.085 1.00 0.00 H ATOM 633 HA2 GLY A 37 10.956 14.362 17.284 1.00 0.00 H ATOM 634 N TYR A 38 9.757 16.204 19.355 1.00 12.50 N ATOM 635 CA TYR A 38 9.408 17.516 19.912 1.00 12.41 C ATOM 636 C TYR A 38 7.939 17.616 20.377 1.00 12.36 C ATOM 637 O TYR A 38 7.436 18.721 20.580 1.00 15.84 O ATOM 638 CB TYR A 38 9.859 18.701 19.021 1.00 13.48 C ATOM 639 CG TYR A 38 11.299 18.706 18.534 1.00 12.71 C ATOM 640 CD1 TYR A 38 12.361 18.410 19.412 1.00 13.92 C ATOM 641 CD2 TYR A 38 11.582 19.047 17.194 1.00 15.27 C ATOM 642 CE1 TYR A 38 13.692 18.478 18.962 1.00 14.18 C ATOM 643 CE2 TYR A 38 12.914 19.096 16.738 1.00 16.12 C ATOM 644 CZ TYR A 38 13.971 18.814 17.624 1.00 14.45 C ATOM 645 OH TYR A 38 15.263 18.868 17.186 1.00 16.66 O ATOM 646 H TYR A 38 10.212 15.567 19.995 1.00 0.00 H ATOM 647 HA TYR A 38 9.984 17.578 20.835 1.00 0.00 H ATOM 648 HB3 TYR A 38 9.744 19.619 19.587 1.00 0.00 H ATOM 649 HB2 TYR A 38 9.188 18.800 18.167 1.00 0.00 H ATOM 650 HD1 TYR A 38 12.166 18.150 20.441 1.00 0.00 H ATOM 651 HD2 TYR A 38 10.778 19.282 16.512 1.00 0.00 H ATOM 652 HE1 TYR A 38 14.492 18.269 19.654 1.00 0.00 H ATOM 653 HE2 TYR A 38 13.122 19.359 15.712 1.00 0.00 H ATOM 654 HH TYR A 38 15.885 18.636 17.860 1.00 0.00 H ATOM 655 N ASN A 39 7.251 16.470 20.527 1.00 13.71 N ATOM 656 CA ASN A 39 5.831 16.357 20.849 1.00 13.00 C ATOM 657 C ASN A 39 5.657 16.170 22.365 1.00 12.31 C ATOM 658 O ASN A 39 6.108 15.174 22.931 1.00 13.82 O ATOM 659 CB ASN A 39 5.298 15.110 20.101 1.00 14.34 C ATOM 660 CG ASN A 39 3.779 14.905 20.178 1.00 15.85 C ATOM 661 OD1 ASN A 39 3.024 15.816 20.514 1.00 15.88 O ATOM 662 ND2 ASN A 39 3.327 13.684 19.887 1.00 20.01 N ATOM 663 H ASN A 39 7.751 15.605 20.373 1.00 0.00 H ATOM 664 HA ASN A 39 5.296 17.241 20.507 1.00 0.00 H ATOM 665 HB3 ASN A 39 5.795 14.210 20.463 1.00 0.00 H ATOM 666 HB2 ASN A 39 5.556 15.189 19.044 1.00 0.00 H ATOM 667 HD22 ASN A 39 2.336 13.495 19.928 1.00 0.00 H ATOM 668 HD21 ASN A 39 3.973 12.956 19.619 1.00 0.00 H ATOM 669 N THR A 40 4.937 17.104 23.006 1.00 11.81 N ATOM 670 CA THR A 40 4.578 17.053 24.426 1.00 12.68 C ATOM 671 C THR A 40 3.458 16.039 24.722 1.00 12.56 C ATOM 672 O THR A 40 3.306 15.646 25.873 1.00 15.38 O ATOM 673 CB THR A 40 4.124 18.453 24.913 1.00 13.66 C ATOM 674 OG1 THR A 40 2.877 18.861 24.376 1.00 14.74 O ATOM 675 CG2 THR A 40 5.151 19.566 24.687 1.00 15.36 C ATOM 676 H THR A 40 4.588 17.891 22.473 1.00 0.00 H ATOM 677 HA THR A 40 5.458 16.756 24.998 1.00 0.00 H ATOM 678 HB THR A 40 3.977 18.370 25.990 1.00 0.00 H ATOM 679 HG1 THR A 40 2.513 19.513 24.958 1.00 0.00 H ATOM 680 HG21 THR A 40 4.817 20.492 25.157 1.00 0.00 H ATOM 681 HG22 THR A 40 6.114 19.303 25.122 1.00 0.00 H ATOM 682 HG23 THR A 40 5.307 19.766 23.628 1.00 0.00 H ATOM 683 N ARG A 41 2.680 15.615 23.712 1.00 13.38 N ATOM 684 CA ARG A 41 1.553 14.698 23.872 1.00 16.46 C ATOM 685 C ARG A 41 1.994 13.221 23.727 1.00 15.27 C ATOM 686 O ARG A 41 1.165 12.324 23.881 1.00 19.49 O ATOM 687 CB AARG A 41 0.523 15.027 22.767 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 -0.910 14.595 23.128 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 14.553 21.929 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 -2.549 13.250 21.871 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 -3.641 12.896 22.569 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 13.772 23.351 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 -4.084 11.635 22.491 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 15.967 22.783 1.00 0.00 H ATOM 702 HA ARG A 41 1.093 14.843 24.853 1.00 0.00 H ATOM 703 HB3AARG A 41 0.833 14.566 21.828 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 16.101 22.574 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 -1.303 15.280 23.880 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 13.623 23.620 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 14.682 20.991 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 -2.597 15.365 21.976 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 -2.089 12.545 21.313 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 -5.106 13.491 23.874 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 14.724 23.421 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 -4.899 11.345 23.011 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 -3.603 10.959 21.914 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 3.282 12.959 23.437 1.00 15.38 N ATOM 726 CA ALA A 42 3.851 11.632 23.214 1.00 15.24 C ATOM 727 C ALA A 42 3.748 10.740 24.460 1.00 14.57 C ATOM 728 O ALA A 42 4.081 11.167 25.567 1.00 14.15 O ATOM 729 CB ALA A 42 5.323 11.790 22.803 1.00 19.09 C ATOM 730 H ALA A 42 3.912 13.744 23.354 1.00 0.00 H ATOM 731 HA ALA A 42 3.308 11.165 22.390 1.00 0.00 H ATOM 732 HB1 ALA A 42 5.797 10.822 22.635 1.00 0.00 H ATOM 733 HB2 ALA A 42 5.410 12.357 21.878 1.00 0.00 H ATOM 734 HB3 ALA A 42 5.899 12.313 23.567 1.00 0.00 H ATOM 735 N THR A 43 3.296 9.495 24.253 1.00 16.63 N ATOM 736 CA THR A 43 3.192 8.436 25.251 1.00 16.63 C ATOM 737 C THR A 43 3.664 7.109 24.650 1.00 17.66 C ATOM 738 O THR A 43 3.372 6.812 23.490 1.00 23.52 O ATOM 739 CB THR A 43 1.785 8.357 25.899 1.00 21.44 C ATOM 740 OG1 THR A 43 0.791 8.044 24.941 1.00 28.38 O ATOM 741 CG2 THR A 43 1.369 9.607 26.685 1.00 24.72 C ATOM 742 H THR A 43 3.039 9.236 23.311 1.00 0.00 H ATOM 743 HA THR A 43 3.894 8.679 26.044 1.00 0.00 H ATOM 744 HB THR A 43 1.796 7.529 26.610 1.00 0.00 H ATOM 745 HG1 THR A 43 1.028 7.233 24.515 1.00 0.00 H ATOM 746 HG21 THR A 43 0.418 9.452 27.196 1.00 0.00 H ATOM 747 HG22 THR A 43 2.115 9.841 27.445 1.00 0.00 H ATOM 748 HG23 THR A 43 1.258 10.477 26.038 1.00 0.00 H ATOM 749 N ASN A 44 4.362 6.307 25.463 1.00 17.38 N ATOM 750 CA ASN A 44 4.850 4.975 25.129 1.00 17.36 C ATOM 751 C ASN A 44 4.630 4.083 26.350 1.00 16.77 C ATOM 752 O ASN A 44 5.303 4.262 27.363 1.00 16.39 O ATOM 753 CB ASN A 44 6.323 5.067 24.669 1.00 21.27 C ATOM 754 CG ASN A 44 6.937 3.708 24.322 1.00 33.34 C ATOM 755 OD1 ASN A 44 6.488 3.039 23.394 1.00 40.32 O ATOM 756 ND2 ASN A 44 7.937 3.279 25.097 1.00 43.32 N ATOM 757 H ASN A 44 4.574 6.643 26.394 1.00 0.00 H ATOM 758 HA ASN A 44 4.260 4.565 24.305 1.00 0.00 H ATOM 759 HB3 ASN A 44 6.928 5.543 25.438 1.00 0.00 H ATOM 760 HB2 ASN A 44 6.397 5.705 23.788 1.00 0.00 H ATOM 761 HD22 ASN A 44 8.352 2.375 24.930 1.00 0.00 H ATOM 762 HD21 ASN A 44 8.261 3.844 25.875 1.00 0.00 H ATOM 763 N TYR A 45 3.717 3.106 26.233 1.00 20.06 N ATOM 764 CA TYR A 45 3.501 2.073 27.240 1.00 19.26 C ATOM 765 C TYR A 45 4.515 0.945 27.009 1.00 18.33 C ATOM 766 O TYR A 45 4.612 0.394 25.912 1.00 21.79 O ATOM 767 CB TYR A 45 2.075 1.498 27.092 1.00 21.83 C ATOM 768 CG TYR A 45 1.730 0.402 28.093 1.00 20.44 C ATOM 769 CD1 TYR A 45 1.815 0.659 29.476 1.00 22.19 C ATOM 770 CD2 TYR A 45 1.348 -0.882 27.651 1.00 22.96 C ATOM 771 CE1 TYR A 45 1.517 -0.344 30.414 1.00 21.20 C ATOM 772 CE2 TYR A 45 1.046 -1.890 28.588 1.00 22.77 C ATOM 773 CZ TYR A 45 1.130 -1.621 29.969 1.00 22.00 C ATOM 774 OH TYR A 45 0.836 -2.597 30.874 1.00 25.95 O ATOM 775 H TYR A 45 3.217 3.014 25.361 1.00 0.00 H ATOM 776 HA TYR A 45 3.619 2.497 28.238 1.00 0.00 H ATOM 777 HB3 TYR A 45 1.922 1.122 26.079 1.00 0.00 H ATOM 778 HB2 TYR A 45 1.349 2.301 27.224 1.00 0.00 H ATOM 779 HD1 TYR A 45 2.125 1.627 29.825 1.00 0.00 H ATOM 780 HD2 TYR A 45 1.289 -1.101 26.595 1.00 0.00 H ATOM 781 HE1 TYR A 45 1.589 -0.129 31.469 1.00 0.00 H ATOM 782 HE2 TYR A 45 0.755 -2.872 28.245 1.00 0.00 H ATOM 783 HH TYR A 45 0.876 -2.292 31.768 1.00 0.00 H ATOM 784 N ASN A 46 5.245 0.605 28.076 1.00 17.53 N ATOM 785 CA ASN A 46 6.196 -0.496 28.140 1.00 18.07 C ATOM 786 C ASN A 46 5.448 -1.662 28.797 1.00 16.83 C ATOM 787 O ASN A 46 5.257 -1.684 30.012 1.00 18.09 O ATOM 788 CB ASN A 46 7.395 -0.069 29.020 1.00 19.02 C ATOM 789 CG ASN A 46 8.132 1.147 28.452 1.00 21.80 C ATOM 790 OD1 ASN A 46 8.722 1.068 27.377 1.00 27.14 O ATOM 791 ND2 ASN A 46 8.065 2.283 29.148 1.00 24.42 N ATOM 792 H ASN A 46 5.085 1.106 28.942 1.00 0.00 H ATOM 793 HA ASN A 46 6.548 -0.782 27.146 1.00 0.00 H ATOM 794 HB3 ASN A 46 8.108 -0.890 29.108 1.00 0.00 H ATOM 795 HB2 ASN A 46 7.067 0.163 30.034 1.00 0.00 H ATOM 796 HD22 ASN A 46 8.503 3.120 28.776 1.00 0.00 H ATOM 797 HD21 ASN A 46 7.574 2.311 30.031 1.00 0.00 H ATOM 798 N ALA A 47 4.996 -2.621 27.973 1.00 19.59 N ATOM 799 CA ALA A 47 4.173 -3.759 28.386 1.00 23.80 C ATOM 800 C ALA A 47 4.933 -4.801 29.224 1.00 22.64 C ATOM 801 O ALA A 47 4.301 -5.554 29.964 1.00 24.61 O ATOM 802 CB ALA A 47 3.628 -4.440 27.120 1.00 27.76 C ATOM 803 H ALA A 47 5.175 -2.518 26.984 1.00 0.00 H ATOM 804 HA ALA A 47 3.339 -3.392 28.984 1.00 0.00 H ATOM 805 HB1 ALA A 47 2.980 -5.281 27.369 1.00 0.00 H ATOM 806 HB2 ALA A 47 3.037 -3.741 26.527 1.00 0.00 H ATOM 807 HB3 ALA A 47 4.432 -4.816 26.485 1.00 0.00 H ATOM 808 N GLY A 48 6.274 -4.826 29.133 1.00 19.99 N ATOM 809 CA GLY A 48 7.141 -5.764 29.840 1.00 22.07 C ATOM 810 C GLY A 48 7.292 -5.488 31.341 1.00 19.81 C ATOM 811 O GLY A 48 7.541 -6.430 32.092 1.00 24.08 O ATOM 812 H GLY A 48 6.717 -4.164 28.514 1.00 0.00 H ATOM 813 HA3 GLY A 48 8.130 -5.723 29.385 1.00 0.00 H ATOM 814 HA2 GLY A 48 6.775 -6.782 29.693 1.00 0.00 H ATOM 815 N ASP A 49 7.115 -4.230 31.782 1.00 18.77 N ATOM 816 CA ASP A 49 7.279 -3.803 33.175 1.00 20.35 C ATOM 817 C ASP A 49 6.075 -2.993 33.693 1.00 17.80 C ATOM 818 O ASP A 49 5.993 -2.754 34.895 1.00 21.18 O ATOM 819 CB ASP A 49 8.664 -3.128 33.371 1.00 20.26 C ATOM 820 CG ASP A 49 8.841 -1.708 32.810 1.00 24.33 C ATOM 821 OD1 ASP A 49 7.970 -1.252 32.038 1.00 19.65 O ATOM 822 OD2 ASP A 49 9.836 -1.070 33.216 1.00 32.10 O1- ATOM 823 H ASP A 49 6.922 -3.508 31.101 1.00 0.00 H ATOM 824 HA ASP A 49 7.285 -4.690 33.810 1.00 0.00 H ATOM 825 HB3 ASP A 49 9.443 -3.758 32.941 1.00 0.00 H ATOM 826 HB2 ASP A 49 8.882 -3.088 34.439 1.00 0.00 H ATOM 827 N ARG A 50 5.147 -2.580 32.813 1.00 19.86 N ATOM 828 CA ARG A 50 3.879 -1.901 33.106 1.00 19.68 C ATOM 829 C ARG A 50 4.019 -0.394 33.388 1.00 18.06 C ATOM 830 O ARG A 50 3.068 0.226 33.863 1.00 22.50 O ATOM 831 CB ARG A 50 2.991 -2.664 34.121 1.00 26.39 C ATOM 832 CG ARG A 50 2.643 -4.091 33.667 1.00 33.44 C ATOM 833 CD ARG A 50 1.817 -4.863 34.706 1.00 35.73 C ATOM 834 NE ARG A 50 2.628 -5.902 35.356 1.00 39.51 N ATOM 835 CZ ARG A 50 2.174 -7.046 35.895 1.00 35.58 C ATOM 836 NH1 ARG A 50 0.868 -7.348 35.903 1.00 54.84 N ATOM 837 NH2 ARG A 50 3.048 -7.902 36.438 1.00 33.65 N1+ ATOM 838 H ARG A 50 5.321 -2.775 31.836 1.00 0.00 H ATOM 839 HA ARG A 50 3.347 -1.933 32.155 1.00 0.00 H ATOM 840 HB3 ARG A 50 2.057 -2.120 34.270 1.00 0.00 H ATOM 841 HB2 ARG A 50 3.467 -2.694 35.100 1.00 0.00 H ATOM 842 HG3 ARG A 50 3.554 -4.643 33.432 1.00 0.00 H ATOM 843 HG2 ARG A 50 2.088 -4.046 32.731 1.00 0.00 H ATOM 844 HD3 ARG A 50 0.981 -5.341 34.195 1.00 0.00 H ATOM 845 HD2 ARG A 50 1.388 -4.202 35.460 1.00 0.00 H ATOM 846 HE ARG A 50 3.618 -5.707 35.412 1.00 0.00 H ATOM 847 HH12 ARG A 50 0.540 -8.212 36.312 1.00 0.00 H ATOM 848 HH11 ARG A 50 0.200 -6.708 35.499 1.00 0.00 H ATOM 849 HH22 ARG A 50 2.729 -8.768 36.849 1.00 0.00 H ATOM 850 HH21 ARG A 50 4.037 -7.695 36.435 1.00 0.00 H ATOM 851 N SER A 51 5.184 0.199 33.078 1.00 16.75 N ATOM 852 CA SER A 51 5.426 1.639 33.142 1.00 15.62 C ATOM 853 C SER A 51 5.040 2.307 31.811 1.00 15.04 C ATOM 854 O SER A 51 4.920 1.648 30.778 1.00 16.06 O ATOM 855 CB SER A 51 6.921 1.884 33.446 1.00 14.40 C ATOM 856 OG SER A 51 7.786 1.554 32.375 1.00 15.71 O ATOM 857 H SER A 51 5.914 -0.372 32.671 1.00 0.00 H ATOM 858 HA SER A 51 4.832 2.078 33.944 1.00 0.00 H ATOM 859 HB3 SER A 51 7.226 1.337 34.336 1.00 0.00 H ATOM 860 HB2 SER A 51 7.069 2.940 33.679 1.00 0.00 H ATOM 861 HG SER A 51 7.814 0.608 32.273 1.00 0.00 H ATOM 862 N THR A 52 4.859 3.633 31.854 1.00 13.80 N ATOM 863 CA THR A 52 4.582 4.489 30.706 1.00 11.94 C ATOM 864 C THR A 52 5.587 5.647 30.729 1.00 12.46 C ATOM 865 O THR A 52 5.825 6.251 31.774 1.00 13.36 O ATOM 866 CB THR A 52 3.112 4.974 30.745 1.00 13.80 C ATOM 867 OG1 THR A 52 2.228 3.876 30.725 1.00 15.81 O ATOM 868 CG2 THR A 52 2.720 5.872 29.555 1.00 13.89 C ATOM 869 H THR A 52 4.965 4.104 32.745 1.00 0.00 H ATOM 870 HA THR A 52 4.739 3.927 29.787 1.00 0.00 H ATOM 871 HB THR A 52 2.927 5.491 31.682 1.00 0.00 H ATOM 872 HG1 THR A 52 2.425 3.334 31.475 1.00 0.00 H ATOM 873 HG21 THR A 52 1.666 6.145 29.601 1.00 0.00 H ATOM 874 HG22 THR A 52 3.289 6.801 29.543 1.00 0.00 H ATOM 875 HG23 THR A 52 2.889 5.367 28.604 1.00 0.00 H ATOM 876 N ASP A 53 6.149 5.969 29.559 1.00 12.43 N ATOM 877 CA ASP A 53 6.992 7.137 29.317 1.00 12.59 C ATOM 878 C ASP A 53 6.096 8.273 28.813 1.00 12.09 C ATOM 879 O ASP A 53 5.269 8.054 27.929 1.00 13.31 O ATOM 880 CB ASP A 53 8.014 6.804 28.215 1.00 14.50 C ATOM 881 CG ASP A 53 8.898 5.598 28.530 1.00 17.20 C ATOM 882 OD1 ASP A 53 9.466 5.578 29.643 1.00 20.85 O ATOM 883 OD2 ASP A 53 8.972 4.701 27.661 1.00 22.38 O1- ATOM 884 H ASP A 53 5.910 5.409 28.749 1.00 0.00 H ATOM 885 HA ASP A 53 7.515 7.439 30.224 1.00 0.00 H ATOM 886 HB3 ASP A 53 8.658 7.661 28.054 1.00 0.00 H ATOM 887 HB2 ASP A 53 7.501 6.618 27.273 1.00 0.00 H ATOM 888 N TYR A 54 6.246 9.470 29.400 1.00 12.07 N ATOM 889 CA TYR A 54 5.373 10.624 29.189 1.00 11.10 C ATOM 890 C TYR A 54 6.159 11.849 28.719 1.00 11.14 C ATOM 891 O TYR A 54 7.203 12.184 29.281 1.00 11.73 O ATOM 892 CB TYR A 54 4.667 10.968 30.513 1.00 13.10 C ATOM 893 CG TYR A 54 3.597 9.988 30.942 1.00 11.22 C ATOM 894 CD1 TYR A 54 3.911 8.927 31.813 1.00 13.36 C ATOM 895 CD2 TYR A 54 2.269 10.162 30.503 1.00 13.72 C ATOM 896 CE1 TYR A 54 2.890 8.069 32.262 1.00 12.26 C ATOM 897 CE2 TYR A 54 1.254 9.289 30.937 1.00 13.52 C ATOM 898 CZ TYR A 54 1.566 8.242 31.823 1.00 12.36 C ATOM 899 OH TYR A 54 0.593 7.391 32.257 1.00 13.90 O ATOM 900 H TYR A 54 6.949 9.558 30.122 1.00 0.00 H ATOM 901 HA TYR A 54 4.612 10.404 28.438 1.00 0.00 H ATOM 902 HB3 TYR A 54 4.188 11.945 30.433 1.00 0.00 H ATOM 903 HB2 TYR A 54 5.400 11.062 31.315 1.00 0.00 H ATOM 904 HD1 TYR A 54 4.924 8.789 32.164 1.00 0.00 H ATOM 905 HD2 TYR A 54 2.029 10.977 29.841 1.00 0.00 H ATOM 906 HE1 TYR A 54 3.114 7.271 32.949 1.00 0.00 H ATOM 907 HE2 TYR A 54 0.239 9.429 30.596 1.00 0.00 H ATOM 908 HH TYR A 54 0.921 6.761 32.889 1.00 0.00 H ATOM 909 N GLY A 55 5.584 12.568 27.748 1.00 12.01 N ATOM 910 CA GLY A 55 5.982 13.915 27.375 1.00 11.22 C ATOM 911 C GLY A 55 7.105 14.000 26.347 1.00 11.31 C ATOM 912 O GLY A 55 7.488 13.010 25.722 1.00 11.64 O ATOM 913 H GLY A 55 4.752 12.201 27.306 1.00 0.00 H ATOM 914 HA3 GLY A 55 6.271 14.475 28.266 1.00 0.00 H ATOM 915 HA2 GLY A 55 5.109 14.411 26.966 1.00 0.00 H ATOM 916 N ILE A 56 7.617 15.229 26.187 1.00 11.13 N ATOM 917 CA ILE A 56 8.653 15.623 25.232 1.00 11.06 C ATOM 918 C ILE A 56 10.030 14.975 25.505 1.00 10.21 C ATOM 919 O ILE A 56 10.826 14.829 24.579 1.00 12.58 O ATOM 920 CB ILE A 56 8.721 17.176 25.199 1.00 12.23 C ATOM 921 CG1 ILE A 56 9.488 17.700 23.966 1.00 12.28 C ATOM 922 CG2 ILE A 56 9.256 17.803 26.506 1.00 13.92 C ATOM 923 CD1 ILE A 56 9.155 19.155 23.607 1.00 18.90 C ATOM 924 H ILE A 56 7.227 15.970 26.751 1.00 0.00 H ATOM 925 HA ILE A 56 8.310 15.274 24.263 1.00 0.00 H ATOM 926 HB ILE A 56 7.693 17.518 25.081 1.00 0.00 H ATOM 927 HG13 ILE A 56 9.240 17.084 23.103 1.00 0.00 H ATOM 928 HG12 ILE A 56 10.563 17.594 24.114 1.00 0.00 H ATOM 929 HG21 ILE A 56 9.134 18.886 26.506 1.00 0.00 H ATOM 930 HG22 ILE A 56 8.728 17.426 27.381 1.00 0.00 H ATOM 931 HG23 ILE A 56 10.318 17.599 26.644 1.00 0.00 H ATOM 932 HD11 ILE A 56 9.667 19.453 22.694 1.00 0.00 H ATOM 933 HD12 ILE A 56 8.086 19.282 23.435 1.00 0.00 H ATOM 934 HD13 ILE A 56 9.453 19.845 24.396 1.00 0.00 H ATOM 935 N PHE A 57 10.296 14.567 26.756 1.00 10.80 N ATOM 936 CA PHE A 57 11.526 13.894 27.170 1.00 11.58 C ATOM 937 C PHE A 57 11.310 12.398 27.450 1.00 12.60 C ATOM 938 O PHE A 57 12.301 11.704 27.664 1.00 14.93 O ATOM 939 CB PHE A 57 12.055 14.578 28.450 1.00 13.21 C ATOM 940 CG PHE A 57 12.531 16.008 28.257 1.00 13.29 C ATOM 941 CD1 PHE A 57 13.535 16.301 27.309 1.00 15.83 C ATOM 942 CD2 PHE A 57 11.981 17.049 29.037 1.00 17.07 C ATOM 943 CE1 PHE A 57 13.986 17.624 27.141 1.00 21.11 C ATOM 944 CE2 PHE A 57 12.436 18.371 28.872 1.00 22.69 C ATOM 945 CZ PHE A 57 13.439 18.657 27.926 1.00 22.40 C ATOM 946 H PHE A 57 9.595 14.725 27.465 1.00 0.00 H ATOM 947 HA PHE A 57 12.289 13.952 26.392 1.00 0.00 H ATOM 948 HB3 PHE A 57 12.900 14.020 28.856 1.00 0.00 H ATOM 949 HB2 PHE A 57 11.284 14.558 29.221 1.00 0.00 H ATOM 950 HD1 PHE A 57 13.969 15.514 26.710 1.00 0.00 H ATOM 951 HD2 PHE A 57 11.216 16.837 29.770 1.00 0.00 H ATOM 952 HE1 PHE A 57 14.759 17.844 26.420 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 13.799 19.666 27.808 1.00 0.00 H ATOM 955 N GLN A 58 10.058 11.893 27.456 1.00 11.15 N ATOM 956 CA GLN A 58 9.687 10.483 27.662 1.00 11.59 C ATOM 957 C GLN A 58 10.123 9.976 29.048 1.00 12.28 C ATOM 958 O GLN A 58 10.822 8.971 29.178 1.00 16.38 O ATOM 959 CB GLN A 58 10.180 9.596 26.494 1.00 12.66 C ATOM 960 CG GLN A 58 9.402 9.810 25.186 1.00 12.90 C ATOM 961 CD GLN A 58 7.977 9.260 25.231 1.00 13.93 C ATOM 962 OE1 GLN A 58 7.765 8.057 25.114 1.00 15.93 O ATOM 963 NE2 GLN A 58 6.989 10.140 25.384 1.00 13.81 N ATOM 964 H GLN A 58 9.300 12.528 27.252 1.00 0.00 H ATOM 965 HA GLN A 58 8.600 10.446 27.684 1.00 0.00 H ATOM 966 HB3 GLN A 58 10.135 8.537 26.744 1.00 0.00 H ATOM 967 HB2 GLN A 58 11.235 9.784 26.320 1.00 0.00 H ATOM 968 HG3 GLN A 58 9.928 9.265 24.406 1.00 0.00 H ATOM 969 HG2 GLN A 58 9.400 10.861 24.893 1.00 0.00 H ATOM 970 HE22 GLN A 58 6.033 9.818 25.428 1.00 0.00 H ATOM 971 HE21 GLN A 58 7.196 11.128 25.469 1.00 0.00 H ATOM 972 N ILE A 59 9.730 10.728 30.084 1.00 11.14 N ATOM 973 CA ILE A 59 10.055 10.497 31.487 1.00 12.69 C ATOM 974 C ILE A 59 9.140 9.378 32.021 1.00 11.92 C ATOM 975 O ILE A 59 7.915 9.460 31.917 1.00 12.81 O ATOM 976 CB ILE A 59 9.858 11.848 32.228 1.00 12.88 C ATOM 977 CG1 ILE A 59 10.981 12.843 31.840 1.00 16.58 C ATOM 978 CG2 ILE A 59 9.779 11.712 33.758 1.00 15.82 C ATOM 979 CD1 ILE A 59 10.694 14.308 32.201 1.00 20.06 C ATOM 980 H ILE A 59 9.140 11.523 29.882 1.00 0.00 H ATOM 981 HA ILE A 59 11.098 10.186 31.578 1.00 0.00 H ATOM 982 HB ILE A 59 8.911 12.268 31.892 1.00 0.00 H ATOM 983 HG13 ILE A 59 11.157 12.800 30.766 1.00 0.00 H ATOM 984 HG12 ILE A 59 11.919 12.533 32.301 1.00 0.00 H ATOM 985 HG21 ILE A 59 9.580 12.675 34.218 1.00 0.00 H ATOM 986 HG22 ILE A 59 8.968 11.061 34.084 1.00 0.00 H ATOM 987 HG23 ILE A 59 10.717 11.330 34.161 1.00 0.00 H ATOM 988 HD11 ILE A 59 11.488 14.957 31.831 1.00 0.00 H ATOM 989 HD12 ILE A 59 9.758 14.649 31.759 1.00 0.00 H ATOM 990 HD13 ILE A 59 10.634 14.459 33.278 1.00 0.00 H ATOM 991 N ASN A 60 9.772 8.331 32.572 1.00 13.13 N ATOM 992 CA ASN A 60 9.156 7.068 32.971 1.00 12.23 C ATOM 993 C ASN A 60 8.450 7.187 34.335 1.00 12.37 C ATOM 994 O ASN A 60 8.944 7.826 35.264 1.00 15.10 O ATOM 995 CB ASN A 60 10.284 6.017 33.060 1.00 14.92 C ATOM 996 CG ASN A 60 9.744 4.588 33.147 1.00 15.27 C ATOM 997 OD1 ASN A 60 9.646 4.028 34.235 1.00 18.11 O ATOM 998 ND2 ASN A 60 9.389 4.002 32.005 1.00 18.70 N ATOM 999 H ASN A 60 10.780 8.368 32.615 1.00 0.00 H ATOM 1000 HA ASN A 60 8.441 6.774 32.202 1.00 0.00 H ATOM 1001 HB3 ASN A 60 10.937 6.210 33.914 1.00 0.00 H ATOM 1002 HB2 ASN A 60 10.920 6.078 32.175 1.00 0.00 H ATOM 1003 HD22 ASN A 60 9.009 3.063 32.020 1.00 0.00 H ATOM 1004 HD21 ASN A 60 9.475 4.507 31.125 1.00 0.00 H ATOM 1005 N SER A 61 7.289 6.527 34.433 1.00 12.35 N ATOM 1006 CA SER A 61 6.363 6.570 35.560 1.00 12.09 C ATOM 1007 C SER A 61 6.662 5.572 36.696 1.00 13.49 C ATOM 1008 O SER A 61 5.924 5.567 37.682 1.00 15.29 O ATOM 1009 CB SER A 61 4.960 6.312 34.988 1.00 14.79 C ATOM 1010 OG SER A 61 4.819 5.011 34.453 1.00 13.83 O ATOM 1011 H SER A 61 6.959 6.034 33.613 1.00 0.00 H ATOM 1012 HA SER A 61 6.387 7.575 35.976 1.00 0.00 H ATOM 1013 HB3 SER A 61 4.776 7.040 34.204 1.00 0.00 H ATOM 1014 HB2 SER A 61 4.190 6.469 35.745 1.00 0.00 H ATOM 1015 HG SER A 61 4.621 4.412 35.161 1.00 0.00 H ATOM 1016 N ARG A 62 7.728 4.755 36.607 1.00 15.46 N ATOM 1017 CA ARG A 62 8.186 3.939 37.736 1.00 16.61 C ATOM 1018 C ARG A 62 9.106 4.747 38.667 1.00 16.86 C ATOM 1019 O ARG A 62 9.147 4.462 39.861 1.00 26.96 O ATOM 1020 CB ARG A 62 8.953 2.698 37.223 1.00 19.91 C ATOM 1021 CG ARG A 62 9.532 1.818 38.353 1.00 26.96 C ATOM 1022 CD ARG A 62 9.829 0.382 37.926 1.00 41.99 C ATOM 1023 NE ARG A 62 8.619 -0.439 38.062 1.00 38.78 N ATOM 1024 CZ ARG A 62 7.872 -0.928 37.062 1.00 40.02 C ATOM 1025 NH1 ARG A 62 8.191 -0.719 35.782 1.00 45.48 N ATOM 1026 NH2 ARG A 62 6.777 -1.637 37.346 1.00 51.32 N1+ ATOM 1027 H ARG A 62 8.290 4.766 35.766 1.00 0.00 H ATOM 1028 HA ARG A 62 7.333 3.588 38.319 1.00 0.00 H ATOM 1029 HB3 ARG A 62 9.766 2.992 36.560 1.00 0.00 H ATOM 1030 HB2 ARG A 62 8.267 2.104 36.618 1.00 0.00 H ATOM 1031 HG3 ARG A 62 8.832 1.795 39.190 1.00 0.00 H ATOM 1032 HG2 ARG A 62 10.445 2.268 38.745 1.00 0.00 H ATOM 1033 HD3 ARG A 62 10.576 -0.041 38.597 1.00 0.00 H ATOM 1034 HD2 ARG A 62 10.260 0.340 36.926 1.00 0.00 H ATOM 1035 HE ARG A 62 8.304 -0.602 39.009 1.00 0.00 H ATOM 1036 HH12 ARG A 62 7.615 -1.108 35.047 1.00 0.00 H ATOM 1037 HH11 ARG A 62 9.033 -0.222 35.527 1.00 0.00 H ATOM 1038 HH22 ARG A 62 6.237 -2.052 36.595 1.00 0.00 H ATOM 1039 HH21 ARG A 62 6.469 -1.731 38.305 1.00 0.00 H ATOM 1040 N TYR A 63 9.855 5.727 38.143 1.00 17.34 N ATOM 1041 CA TYR A 63 10.933 6.381 38.882 1.00 17.97 C ATOM 1042 C TYR A 63 10.663 7.865 39.144 1.00 16.02 C ATOM 1043 O TYR A 63 11.139 8.375 40.156 1.00 19.73 O ATOM 1044 CB TYR A 63 12.245 6.198 38.096 1.00 25.58 C ATOM 1045 CG TYR A 63 12.655 4.745 37.928 1.00 28.37 C ATOM 1046 CD1 TYR A 63 13.063 3.989 39.048 1.00 32.48 C ATOM 1047 CD2 TYR A 63 12.589 4.133 36.659 1.00 34.89 C ATOM 1048 CE1 TYR A 63 13.392 2.628 38.900 1.00 37.71 C ATOM 1049 CE2 TYR A 63 12.920 2.772 36.511 1.00 35.23 C ATOM 1050 CZ TYR A 63 13.318 2.018 37.632 1.00 35.13 C ATOM 1051 OH TYR A 63 13.625 0.696 37.494 1.00 45.56 O ATOM 1052 H TYR A 63 9.768 5.928 37.157 1.00 0.00 H ATOM 1053 HA TYR A 63 11.081 5.919 39.858 1.00 0.00 H ATOM 1054 HB3 TYR A 63 13.061 6.724 38.594 1.00 0.00 H ATOM 1055 HB2 TYR A 63 12.150 6.651 37.110 1.00 0.00 H ATOM 1056 HD1 TYR A 63 13.111 4.448 40.024 1.00 0.00 H ATOM 1057 HD2 TYR A 63 12.267 4.698 35.796 1.00 0.00 H ATOM 1058 HE1 TYR A 63 13.695 2.052 39.762 1.00 0.00 H ATOM 1059 HE2 TYR A 63 12.856 2.310 35.537 1.00 0.00 H ATOM 1060 HH TYR A 63 13.572 0.394 36.600 1.00 0.00 H ATOM 1061 N TRP A 64 9.932 8.560 38.254 1.00 13.82 N ATOM 1062 CA TRP A 64 9.965 10.021 38.160 1.00 13.15 C ATOM 1063 C TRP A 64 8.607 10.680 38.406 1.00 11.80 C ATOM 1064 O TRP A 64 8.523 11.549 39.271 1.00 15.36 O ATOM 1065 CB TRP A 64 10.583 10.417 36.810 1.00 13.45 C ATOM 1066 CG TRP A 64 11.958 9.866 36.582 1.00 14.00 C ATOM 1067 CD1 TRP A 64 12.312 8.976 35.627 1.00 16.69 C ATOM 1068 CD2 TRP A 64 13.161 10.114 37.369 1.00 15.23 C ATOM 1069 NE1 TRP A 64 13.640 8.633 35.789 1.00 17.44 N ATOM 1070 CE2 TRP A 64 14.209 9.286 36.864 1.00 15.85 C ATOM 1071 CE3 TRP A 64 13.472 10.955 38.462 1.00 16.08 C ATOM 1072 CZ2 TRP A 64 15.493 9.273 37.436 1.00 17.87 C ATOM 1073 CZ3 TRP A 64 14.753 10.947 39.048 1.00 17.34 C ATOM 1074 CH2 TRP A 64 15.759 10.105 38.539 1.00 18.86 C ATOM 1075 H TRP A 64 9.533 8.063 37.470 1.00 0.00 H ATOM 1076 HA TRP A 64 10.623 10.429 38.929 1.00 0.00 H ATOM 1077 HB3 TRP A 64 10.639 11.501 36.724 1.00 0.00 H ATOM 1078 HB2 TRP A 64 9.935 10.079 36.004 1.00 0.00 H ATOM 1079 HD1 TRP A 64 11.638 8.573 34.887 1.00 0.00 H ATOM 1080 HE1 TRP A 64 14.110 7.971 35.188 1.00 0.00 H ATOM 1081 HE3 TRP A 64 12.713 11.614 38.856 1.00 0.00 H ATOM 1082 HZ2 TRP A 64 16.268 8.639 37.031 1.00 0.00 H ATOM 1083 HZ3 TRP A 64 14.967 11.592 39.887 1.00 0.00 H ATOM 1084 HH2 TRP A 64 16.741 10.115 38.980 1.00 0.00 H ATOM 1085 N CYS A 65 7.551 10.261 37.695 1.00 14.31 N ATOM 1086 CA CYS A 65 6.187 10.771 37.858 1.00 12.60 C ATOM 1087 C CYS A 65 5.259 9.641 38.326 1.00 14.32 C ATOM 1088 O CYS A 65 5.586 8.467 38.170 1.00 14.95 O ATOM 1089 CB CYS A 65 5.727 11.440 36.544 1.00 13.50 C ATOM 1090 SG CYS A 65 5.481 10.368 35.094 1.00 14.34 S ATOM 1091 H CYS A 65 7.687 9.526 37.015 1.00 0.00 H ATOM 1092 HA CYS A 65 6.159 11.542 38.628 1.00 0.00 H ATOM 1093 HB3 CYS A 65 6.460 12.199 36.269 1.00 0.00 H ATOM 1094 HB2 CYS A 65 4.801 11.986 36.722 1.00 0.00 H ATOM 1095 N ASN A 66 4.096 9.995 38.893 1.00 13.49 N ATOM 1096 CA ASN A 66 3.055 9.050 39.300 1.00 12.07 C ATOM 1097 C ASN A 66 1.872 9.158 38.326 1.00 13.15 C ATOM 1098 O ASN A 66 1.325 10.241 38.127 1.00 12.75 O ATOM 1099 CB ASN A 66 2.595 9.425 40.727 1.00 15.96 C ATOM 1100 CG ASN A 66 1.588 8.437 41.326 1.00 19.44 C ATOM 1101 OD1 ASN A 66 1.805 7.228 41.298 1.00 21.93 O ATOM 1102 ND2 ASN A 66 0.461 8.945 41.828 1.00 22.57 N ATOM 1103 H ASN A 66 3.902 10.980 39.018 1.00 0.00 H ATOM 1104 HA ASN A 66 3.435 8.026 39.304 1.00 0.00 H ATOM 1105 HB3 ASN A 66 2.199 10.442 40.757 1.00 0.00 H ATOM 1106 HB2 ASN A 66 3.456 9.412 41.390 1.00 0.00 H ATOM 1107 HD22 ASN A 66 -0.232 8.325 42.220 1.00 0.00 H ATOM 1108 HD21 ASN A 66 0.305 9.942 41.819 1.00 0.00 H ATOM 1109 N ASP A 67 1.453 8.010 37.773 1.00 12.42 N ATOM 1110 CA ASP A 67 0.209 7.843 37.013 1.00 13.42 C ATOM 1111 C ASP A 67 -0.785 6.943 37.779 1.00 13.40 C ATOM 1112 O ASP A 67 -1.899 6.730 37.301 1.00 16.86 O ATOM 1113 CB ASP A 67 0.516 7.306 35.589 1.00 12.34 C ATOM 1114 CG ASP A 67 1.124 5.902 35.446 1.00 13.28 C ATOM 1115 OD1 ASP A 67 1.402 5.243 36.473 1.00 14.28 O ATOM 1116 OD2 ASP A 67 1.285 5.500 34.272 1.00 14.87 O1- ATOM 1117 H ASP A 67 1.988 7.171 37.946 1.00 0.00 H ATOM 1118 HA ASP A 67 -0.289 8.806 36.893 1.00 0.00 H ATOM 1119 HB3 ASP A 67 1.183 8.002 35.083 1.00 0.00 H ATOM 1120 HB2 ASP A 67 -0.406 7.318 35.007 1.00 0.00 H ATOM 1121 N GLY A 68 -0.392 6.425 38.957 1.00 13.31 N ATOM 1122 CA GLY A 68 -1.201 5.612 39.860 1.00 14.71 C ATOM 1123 C GLY A 68 -1.399 4.147 39.446 1.00 17.90 C ATOM 1124 O GLY A 68 -1.989 3.398 40.223 1.00 27.90 O ATOM 1125 H GLY A 68 0.540 6.650 39.274 1.00 0.00 H ATOM 1126 HA3 GLY A 68 -2.180 6.077 39.987 1.00 0.00 H ATOM 1127 HA2 GLY A 68 -0.724 5.629 40.840 1.00 0.00 H ATOM 1128 N LYS A 69 -0.919 3.734 38.258 1.00 18.83 N ATOM 1129 CA LYS A 69 -1.137 2.404 37.681 1.00 17.60 C ATOM 1130 C LYS A 69 0.159 1.615 37.437 1.00 18.43 C ATOM 1131 O LYS A 69 0.079 0.474 36.983 1.00 23.74 O ATOM 1132 CB LYS A 69 -2.010 2.507 36.407 1.00 20.00 C ATOM 1133 CG LYS A 69 -1.362 3.233 35.207 1.00 19.72 C ATOM 1134 CD LYS A 69 -2.068 2.911 33.879 1.00 28.11 C ATOM 1135 CE LYS A 69 -1.339 3.456 32.640 1.00 40.33 C ATOM 1136 NZ LYS A 69 -1.500 4.912 32.503 1.00 48.89 N1+ ATOM 1137 H LYS A 69 -0.425 4.406 37.687 1.00 0.00 H ATOM 1138 HA LYS A 69 -1.700 1.791 38.386 1.00 0.00 H ATOM 1139 HB3 LYS A 69 -2.957 2.990 36.650 1.00 0.00 H ATOM 1140 HB2 LYS A 69 -2.276 1.494 36.103 1.00 0.00 H ATOM 1141 HG3 LYS A 69 -0.314 2.947 35.112 1.00 0.00 H ATOM 1142 HG2 LYS A 69 -1.367 4.308 35.387 1.00 0.00 H ATOM 1143 HD3 LYS A 69 -3.100 3.262 33.901 1.00 0.00 H ATOM 1144 HD2 LYS A 69 -2.122 1.826 33.776 1.00 0.00 H ATOM 1145 HE3 LYS A 69 -1.741 2.989 31.741 1.00 0.00 H ATOM 1146 HE2 LYS A 69 -0.276 3.210 32.675 1.00 0.00 H ATOM 1147 HZ1 LYS A 69 -1.026 5.229 31.669 1.00 0.00 H ATOM 1148 HZ2 LYS A 69 -2.480 5.147 32.448 1.00 0.00 H ATOM 1149 HZ3 LYS A 69 -1.085 5.365 33.306 1.00 0.00 H ATOM 1150 N THR A 70 1.336 2.194 37.730 1.00 17.05 N ATOM 1151 CA THR A 70 2.635 1.543 37.554 1.00 18.01 C ATOM 1152 C THR A 70 3.052 0.925 38.908 1.00 19.16 C ATOM 1153 O THR A 70 3.188 1.672 39.879 1.00 22.32 O ATOM 1154 CB THR A 70 3.679 2.606 37.138 1.00 17.38 C ATOM 1155 OG1 THR A 70 3.277 3.138 35.895 1.00 16.08 O ATOM 1156 CG2 THR A 70 5.087 2.022 36.919 1.00 18.56 C ATOM 1157 H THR A 70 1.333 3.136 38.094 1.00 0.00 H ATOM 1158 HA THR A 70 2.582 0.807 36.752 1.00 0.00 H ATOM 1159 HB THR A 70 3.729 3.424 37.858 1.00 0.00 H ATOM 1160 HG1 THR A 70 2.501 3.672 36.028 1.00 0.00 H ATOM 1161 HG21 THR A 70 5.747 2.752 36.454 1.00 0.00 H ATOM 1162 HG22 THR A 70 5.552 1.720 37.858 1.00 0.00 H ATOM 1163 HG23 THR A 70 5.060 1.148 36.267 1.00 0.00 H ATOM 1164 N PRO A 71 3.275 -0.411 38.995 1.00 20.91 N ATOM 1165 CA PRO A 71 3.800 -1.088 40.196 1.00 23.96 C ATOM 1166 C PRO A 71 5.180 -0.550 40.621 1.00 23.90 C ATOM 1167 O PRO A 71 6.028 -0.290 39.769 1.00 25.80 O ATOM 1168 CB PRO A 71 3.946 -2.571 39.805 1.00 25.33 C ATOM 1169 CG PRO A 71 3.099 -2.764 38.560 1.00 29.02 C ATOM 1170 CD PRO A 71 2.940 -1.377 37.947 1.00 23.02 C ATOM 1171 HA PRO A 71 3.075 -0.977 41.003 1.00 0.00 H ATOM 1172 HB3 PRO A 71 3.636 -3.236 40.612 1.00 0.00 H ATOM 1173 HB2 PRO A 71 4.977 -2.831 39.561 1.00 0.00 H ATOM 1174 HG3 PRO A 71 2.118 -3.140 38.852 1.00 0.00 H ATOM 1175 HG2 PRO A 71 3.528 -3.484 37.862 1.00 0.00 H ATOM 1176 HD2 PRO A 71 3.636 -1.252 37.116 1.00 0.00 H ATOM 1177 HD3 PRO A 71 1.927 -1.246 37.568 1.00 0.00 H ATOM 1178 N GLY A 72 5.414 -0.412 41.935 1.00 31.25 N ATOM 1179 CA GLY A 72 6.701 -0.000 42.500 1.00 31.98 C ATOM 1180 C GLY A 72 7.119 1.443 42.178 1.00 28.73 C ATOM 1181 O GLY A 72 8.316 1.716 42.095 1.00 39.18 O ATOM 1182 H GLY A 72 4.676 -0.641 42.585 1.00 0.00 H ATOM 1183 HA3 GLY A 72 7.480 -0.685 42.159 1.00 0.00 H ATOM 1184 HA2 GLY A 72 6.649 -0.106 43.584 1.00 0.00 H ATOM 1185 N ALA A 73 6.143 2.345 41.962 1.00 25.80 N ATOM 1186 CA ALA A 73 6.348 3.752 41.616 1.00 26.10 C ATOM 1187 C ALA A 73 6.975 4.540 42.780 1.00 24.83 C ATOM 1188 O ALA A 73 6.521 4.432 43.919 1.00 28.55 O ATOM 1189 CB ALA A 73 4.999 4.379 41.235 1.00 30.47 C ATOM 1190 H ALA A 73 5.186 2.030 42.032 1.00 0.00 H ATOM 1191 HA ALA A 73 6.992 3.788 40.743 1.00 0.00 H ATOM 1192 HB1 ALA A 73 5.111 5.436 40.987 1.00 0.00 H ATOM 1193 HB2 ALA A 73 4.578 3.891 40.357 1.00 0.00 H ATOM 1194 HB3 ALA A 73 4.271 4.302 42.044 1.00 0.00 H ATOM 1195 N VAL A 74 8.023 5.321 42.475 1.00 25.08 N ATOM 1196 CA VAL A 74 8.808 6.102 43.435 1.00 27.99 C ATOM 1197 C VAL A 74 8.326 7.565 43.456 1.00 23.91 C ATOM 1198 O VAL A 74 8.188 8.131 44.539 1.00 27.27 O ATOM 1199 CB VAL A 74 10.308 6.030 43.024 1.00 26.11 C ATOM 1200 CG1 VAL A 74 11.236 6.915 43.882 1.00 30.20 C ATOM 1201 CG2 VAL A 74 10.829 4.579 43.046 1.00 34.73 C ATOM 1202 H VAL A 74 8.351 5.310 41.519 1.00 0.00 H ATOM 1203 HA VAL A 74 8.700 5.689 44.441 1.00 0.00 H ATOM 1204 HB VAL A 74 10.395 6.388 41.998 1.00 0.00 H ATOM 1205 HG11 VAL A 74 12.279 6.788 43.589 1.00 0.00 H ATOM 1206 HG12 VAL A 74 11.012 7.977 43.773 1.00 0.00 H ATOM 1207 HG13 VAL A 74 11.156 6.663 44.940 1.00 0.00 H ATOM 1208 HG21 VAL A 74 11.876 4.533 42.746 1.00 0.00 H ATOM 1209 HG22 VAL A 74 10.749 4.146 44.044 1.00 0.00 H ATOM 1210 HG23 VAL A 74 10.277 3.935 42.362 1.00 0.00 H ATOM 1211 N ASN A 75 8.095 8.174 42.275 1.00 22.30 N ATOM 1212 CA ASN A 75 7.639 9.556 42.069 1.00 17.58 C ATOM 1213 C ASN A 75 8.679 10.570 42.596 1.00 16.17 C ATOM 1214 O ASN A 75 8.371 11.398 43.454 1.00 16.46 O ATOM 1215 CB ASN A 75 6.209 9.762 42.642 1.00 17.90 C ATOM 1216 CG ASN A 75 5.538 11.072 42.202 1.00 18.28 C ATOM 1217 OD1 ASN A 75 5.942 11.695 41.223 1.00 18.76 O ATOM 1218 ND2 ASN A 75 4.523 11.514 42.947 1.00 19.69 N ATOM 1219 H ASN A 75 8.239 7.625 41.441 1.00 0.00 H ATOM 1220 HA ASN A 75 7.592 9.676 40.986 1.00 0.00 H ATOM 1221 HB3 ASN A 75 6.221 9.720 43.732 1.00 0.00 H ATOM 1222 HB2 ASN A 75 5.571 8.942 42.312 1.00 0.00 H ATOM 1223 HD22 ASN A 75 4.058 12.374 42.695 1.00 0.00 H ATOM 1224 HD21 ASN A 75 4.226 10.992 43.758 1.00 0.00 H ATOM 1225 N ALA A 76 9.923 10.485 42.098 1.00 15.78 N ATOM 1226 CA ALA A 76 11.056 11.288 42.562 1.00 15.84 C ATOM 1227 C ALA A 76 10.990 12.775 42.159 1.00 16.60 C ATOM 1228 O ALA A 76 11.644 13.591 42.809 1.00 18.71 O ATOM 1229 CB ALA A 76 12.346 10.677 42.001 1.00 19.70 C ATOM 1230 H ALA A 76 10.117 9.773 41.406 1.00 0.00 H ATOM 1231 HA ALA A 76 11.092 11.236 43.652 1.00 0.00 H ATOM 1232 HB1 ALA A 76 13.227 11.241 42.308 1.00 0.00 H ATOM 1233 HB2 ALA A 76 12.478 9.653 42.350 1.00 0.00 H ATOM 1234 HB3 ALA A 76 12.330 10.653 40.914 1.00 0.00 H ATOM 1235 N CYS A 77 10.191 13.144 41.139 1.00 15.43 N ATOM 1236 CA CYS A 77 9.927 14.537 40.760 1.00 15.15 C ATOM 1237 C CYS A 77 8.734 15.125 41.533 1.00 15.94 C ATOM 1238 O CYS A 77 8.595 16.347 41.569 1.00 16.72 O ATOM 1239 CB CYS A 77 9.576 14.616 39.261 1.00 15.14 C ATOM 1240 SG CYS A 77 10.929 14.122 38.168 1.00 14.34 S ATOM 1241 H CYS A 77 9.685 12.424 40.638 1.00 0.00 H ATOM 1242 HA CYS A 77 10.801 15.161 40.952 1.00 0.00 H ATOM 1243 HB3 CYS A 77 9.327 15.646 38.997 1.00 0.00 H ATOM 1244 HB2 CYS A 77 8.688 14.030 39.026 1.00 0.00 H ATOM 1245 N HIS A 78 7.877 14.275 42.130 1.00 15.99 N ATOM 1246 CA HIS A 78 6.708 14.636 42.940 1.00 16.71 C ATOM 1247 C HIS A 78 5.605 15.305 42.099 1.00 17.72 C ATOM 1248 O HIS A 78 4.947 16.244 42.548 1.00 18.21 O ATOM 1249 CB HIS A 78 7.090 15.383 44.239 1.00 25.66 C ATOM 1250 CG HIS A 78 7.910 14.538 45.184 1.00 30.49 C ATOM 1251 ND1 HIS A 78 9.276 14.355 45.050 1.00 33.57 N ATOM 1252 CD2 HIS A 78 7.538 13.759 46.259 1.00 31.11 C ATOM 1253 CE1 HIS A 78 9.657 13.507 46.009 1.00 32.40 C ATOM 1254 NE2 HIS A 78 8.656 13.107 46.783 1.00 35.66 N ATOM 1255 H HIS A 78 8.073 13.286 42.053 1.00 0.00 H ATOM 1256 HA HIS A 78 6.274 13.689 43.256 1.00 0.00 H ATOM 1257 HB3 HIS A 78 6.185 15.666 44.778 1.00 0.00 H ATOM 1258 HB2 HIS A 78 7.619 16.313 44.031 1.00 0.00 H ATOM 1259 HD1 HIS A 78 9.869 14.757 44.338 1.00 0.00 H ATOM 1260 HD2 HIS A 78 6.556 13.604 46.681 1.00 0.00 H ATOM 1261 HE1 HIS A 78 10.676 13.171 46.133 1.00 0.00 H ATOM 1262 N LEU A 79 5.444 14.821 40.858 1.00 15.10 N ATOM 1263 CA LEU A 79 4.465 15.260 39.872 1.00 16.14 C ATOM 1264 C LEU A 79 3.501 14.120 39.541 1.00 14.36 C ATOM 1265 O LEU A 79 3.871 12.946 39.555 1.00 16.77 O ATOM 1266 CB LEU A 79 5.189 15.628 38.556 1.00 20.57 C ATOM 1267 CG LEU A 79 5.960 16.959 38.552 1.00 27.66 C ATOM 1268 CD1 LEU A 79 6.742 17.083 37.239 1.00 29.20 C ATOM 1269 CD2 LEU A 79 5.037 18.177 38.727 1.00 32.17 C ATOM 1270 H LEU A 79 6.024 14.038 40.592 1.00 0.00 H ATOM 1271 HA LEU A 79 3.880 16.103 40.242 1.00 0.00 H ATOM 1272 HB3 LEU A 79 4.471 15.679 37.737 1.00 0.00 H ATOM 1273 HB2 LEU A 79 5.869 14.815 38.291 1.00 0.00 H ATOM 1274 HG LEU A 79 6.680 16.947 39.372 1.00 0.00 H ATOM 1275 HD11 LEU A 79 7.401 17.951 37.257 1.00 0.00 H ATOM 1276 HD12 LEU A 79 7.355 16.197 37.072 1.00 0.00 H ATOM 1277 HD13 LEU A 79 6.076 17.183 36.382 1.00 0.00 H ATOM 1278 HD21 LEU A 79 5.601 19.108 38.648 1.00 0.00 H ATOM 1279 HD22 LEU A 79 4.258 18.201 37.965 1.00 0.00 H ATOM 1280 HD23 LEU A 79 4.553 18.182 39.703 1.00 0.00 H ATOM 1281 N SER A 80 2.292 14.500 39.107 1.00 12.78 N ATOM 1282 CA SER A 80 1.430 13.656 38.289 1.00 13.23 C ATOM 1283 C SER A 80 2.027 13.607 36.870 1.00 12.09 C ATOM 1284 O SER A 80 2.485 14.631 36.361 1.00 12.94 O ATOM 1285 CB SER A 80 0.024 14.286 38.241 1.00 14.70 C ATOM 1286 OG SER A 80 -0.864 13.512 37.456 1.00 14.92 O ATOM 1287 H SER A 80 2.075 15.486 39.121 1.00 0.00 H ATOM 1288 HA SER A 80 1.375 12.660 38.727 1.00 0.00 H ATOM 1289 HB3 SER A 80 0.063 15.295 37.827 1.00 0.00 H ATOM 1290 HB2 SER A 80 -0.389 14.372 39.247 1.00 0.00 H ATOM 1291 HG SER A 80 -0.994 12.678 37.883 1.00 0.00 H ATOM 1292 N CYS A 81 2.001 12.433 36.217 1.00 12.15 N ATOM 1293 CA CYS A 81 2.480 12.252 34.842 1.00 11.82 C ATOM 1294 C CYS A 81 1.658 13.031 33.793 1.00 11.57 C ATOM 1295 O CYS A 81 2.148 13.254 32.687 1.00 13.13 O ATOM 1296 CB CYS A 81 2.458 10.763 34.470 1.00 13.14 C ATOM 1297 SG CYS A 81 3.592 9.641 35.337 1.00 13.20 S ATOM 1298 H CYS A 81 1.634 11.621 36.698 1.00 0.00 H ATOM 1299 HA CYS A 81 3.505 12.618 34.781 1.00 0.00 H ATOM 1300 HB3 CYS A 81 2.688 10.672 33.413 1.00 0.00 H ATOM 1301 HB2 CYS A 81 1.448 10.368 34.588 1.00 0.00 H ATOM 1302 N SER A 82 0.440 13.482 34.149 1.00 12.73 N ATOM 1303 CA SER A 82 -0.408 14.369 33.351 1.00 13.54 C ATOM 1304 C SER A 82 0.167 15.795 33.202 1.00 11.95 C ATOM 1305 O SER A 82 -0.170 16.477 32.235 1.00 13.03 O ATOM 1306 CB ASER A 82 -1.820 14.406 33.979 0.60 17.55 C ATOM 1307 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 1308 OG ASER A 82 -1.884 15.135 35.192 0.60 18.83 O ATOM 1309 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 1310 H SER A 82 0.115 13.257 35.078 1.00 0.00 H ATOM 1311 HA SER A 82 -0.490 13.936 32.353 1.00 0.00 H ATOM 1312 HB3ASER A 82 -2.194 13.396 34.150 0.60 0.00 H ATOM 1313 HB3BSER A 82 -1.519 14.897 35.255 0.40 0.00 H ATOM 1314 HB2ASER A 82 -2.513 14.875 33.280 0.60 0.00 H ATOM 1315 HB2BSER A 82 -2.227 13.600 34.328 0.40 0.00 H ATOM 1316 HG ASER A 82 -1.440 14.646 35.872 0.60 0.00 H ATOM 1317 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 1318 N ALA A 83 1.065 16.225 34.111 1.00 12.11 N ATOM 1319 CA ALA A 83 1.777 17.504 34.050 1.00 12.56 C ATOM 1320 C ALA A 83 2.854 17.523 32.949 1.00 13.55 C ATOM 1321 O ALA A 83 3.252 18.598 32.503 1.00 15.23 O ATOM 1322 CB ALA A 83 2.467 17.755 35.402 1.00 15.16 C ATOM 1323 H ALA A 83 1.306 15.604 34.872 1.00 0.00 H ATOM 1324 HA ALA A 83 1.054 18.298 33.864 1.00 0.00 H ATOM 1325 HB1 ALA A 83 2.923 18.745 35.432 1.00 0.00 H ATOM 1326 HB2 ALA A 83 1.753 17.703 36.224 1.00 0.00 H ATOM 1327 HB3 ALA A 83 3.256 17.029 35.599 1.00 0.00 H ATOM 1328 N LEU A 84 3.294 16.341 32.491 1.00 12.54 N ATOM 1329 CA LEU A 84 4.255 16.149 31.408 1.00 12.71 C ATOM 1330 C LEU A 84 3.558 16.063 30.033 1.00 13.40 C ATOM 1331 O LEU A 84 4.251 15.988 29.020 1.00 16.08 O ATOM 1332 CB LEU A 84 5.007 14.821 31.654 1.00 14.18 C ATOM 1333 CG LEU A 84 5.674 14.684 33.043 1.00 17.81 C ATOM 1334 CD1 LEU A 84 6.263 13.281 33.198 1.00 20.67 C ATOM 1335 CD2 LEU A 84 6.756 15.743 33.279 1.00 21.32 C ATOM 1336 H LEU A 84 2.906 15.504 32.904 1.00 0.00 H ATOM 1337 HA LEU A 84 4.967 16.976 31.379 1.00 0.00 H ATOM 1338 HB3 LEU A 84 5.769 14.689 30.884 1.00 0.00 H ATOM 1339 HB2 LEU A 84 4.315 13.991 31.520 1.00 0.00 H ATOM 1340 HG LEU A 84 4.919 14.797 33.822 1.00 0.00 H ATOM 1341 HD11 LEU A 84 6.808 13.173 34.136 1.00 0.00 H ATOM 1342 HD12 LEU A 84 5.472 12.533 33.179 1.00 0.00 H ATOM 1343 HD13 LEU A 84 6.945 13.055 32.382 1.00 0.00 H ATOM 1344 HD21 LEU A 84 7.232 15.613 34.252 1.00 0.00 H ATOM 1345 HD22 LEU A 84 7.532 15.666 32.517 1.00 0.00 H ATOM 1346 HD23 LEU A 84 6.345 16.752 33.255 1.00 0.00 H ATOM 1347 N LEU A 85 2.213 16.100 29.987 1.00 12.93 N ATOM 1348 CA LEU A 85 1.399 16.084 28.767 1.00 13.54 C ATOM 1349 C LEU A 85 0.791 17.461 28.436 1.00 13.88 C ATOM 1350 O LEU A 85 -0.014 17.565 27.510 1.00 16.87 O ATOM 1351 CB LEU A 85 0.289 15.016 28.899 1.00 13.39 C ATOM 1352 CG LEU A 85 0.793 13.560 29.021 1.00 13.51 C ATOM 1353 CD1 LEU A 85 -0.403 12.608 29.174 1.00 18.29 C ATOM 1354 CD2 LEU A 85 1.676 13.137 27.832 1.00 16.82 C ATOM 1355 H LEU A 85 1.714 16.166 30.863 1.00 0.00 H ATOM 1356 HA LEU A 85 2.014 15.840 27.909 1.00 0.00 H ATOM 1357 HB3 LEU A 85 -0.371 15.066 28.031 1.00 0.00 H ATOM 1358 HB2 LEU A 85 -0.337 15.253 29.760 1.00 0.00 H ATOM 1359 HG LEU A 85 1.394 13.476 29.927 1.00 0.00 H ATOM 1360 HD11 LEU A 85 -0.085 11.571 29.270 1.00 0.00 H ATOM 1361 HD12 LEU A 85 -0.991 12.854 30.059 1.00 0.00 H ATOM 1362 HD13 LEU A 85 -1.065 12.665 28.309 1.00 0.00 H ATOM 1363 HD21 LEU A 85 1.964 12.092 27.904 1.00 0.00 H ATOM 1364 HD22 LEU A 85 1.158 13.270 26.882 1.00 0.00 H ATOM 1365 HD23 LEU A 85 2.605 13.705 27.792 1.00 0.00 H ATOM 1366 N GLN A 86 1.208 18.524 29.144 1.00 14.21 N ATOM 1367 CA GLN A 86 0.833 19.915 28.886 1.00 14.01 C ATOM 1368 C GLN A 86 1.651 20.479 27.710 1.00 14.22 C ATOM 1369 O GLN A 86 2.786 20.059 27.480 1.00 16.42 O ATOM 1370 CB GLN A 86 1.199 20.757 30.125 1.00 15.40 C ATOM 1371 CG GLN A 86 0.405 20.412 31.394 1.00 18.36 C ATOM 1372 CD GLN A 86 0.755 21.379 32.526 1.00 22.98 C ATOM 1373 OE1 GLN A 86 0.190 22.467 32.614 1.00 25.88 O ATOM 1374 NE2 GLN A 86 1.688 20.985 33.393 1.00 27.04 N ATOM 1375 H GLN A 86 1.888 18.364 29.874 1.00 0.00 H ATOM 1376 HA GLN A 86 -0.235 19.992 28.673 1.00 0.00 H ATOM 1377 HB3 GLN A 86 1.054 21.816 29.901 1.00 0.00 H ATOM 1378 HB2 GLN A 86 2.261 20.635 30.342 1.00 0.00 H ATOM 1379 HG3 GLN A 86 0.596 19.385 31.706 1.00 0.00 H ATOM 1380 HG2 GLN A 86 -0.665 20.482 31.195 1.00 0.00 H ATOM 1381 HE22 GLN A 86 1.966 21.581 34.164 1.00 0.00 H ATOM 1382 HE21 GLN A 86 2.163 20.103 33.253 1.00 0.00 H ATOM 1383 N ASP A 87 1.098 21.482 27.005 1.00 13.89 N ATOM 1384 CA ASP A 87 1.798 22.253 25.965 1.00 14.61 C ATOM 1385 C ASP A 87 2.906 23.152 26.549 1.00 16.13 C ATOM 1386 O ASP A 87 3.906 23.395 25.874 1.00 20.65 O ATOM 1387 CB ASP A 87 0.802 23.146 25.185 1.00 15.52 C ATOM 1388 CG ASP A 87 -0.276 22.398 24.390 1.00 15.85 C ATOM 1389 OD1 ASP A 87 -0.116 21.176 24.171 1.00 18.46 O ATOM 1390 OD2 ASP A 87 -1.226 23.085 23.959 1.00 18.72 O1- ATOM 1391 H ASP A 87 0.155 21.763 27.230 1.00 0.00 H ATOM 1392 HA ASP A 87 2.273 21.557 25.272 1.00 0.00 H ATOM 1393 HB3 ASP A 87 1.344 23.770 24.473 1.00 0.00 H ATOM 1394 HB2 ASP A 87 0.301 23.830 25.871 1.00 0.00 H ATOM 1395 N ASN A 88 2.745 23.596 27.808 1.00 15.81 N ATOM 1396 CA ASN A 88 3.758 24.286 28.602 1.00 17.79 C ATOM 1397 C ASN A 88 4.645 23.203 29.242 1.00 16.08 C ATOM 1398 O ASN A 88 4.145 22.321 29.941 1.00 19.07 O ATOM 1399 CB ASN A 88 3.030 25.086 29.710 1.00 20.11 C ATOM 1400 CG ASN A 88 3.944 26.096 30.413 1.00 22.92 C ATOM 1401 OD1 ASN A 88 4.851 25.711 31.148 1.00 26.75 O ATOM 1402 ND2 ASN A 88 3.725 27.391 30.179 1.00 44.22 N ATOM 1403 H ASN A 88 1.897 23.334 28.288 1.00 0.00 H ATOM 1404 HA ASN A 88 4.343 24.955 27.967 1.00 0.00 H ATOM 1405 HB3 ASN A 88 2.590 24.425 30.459 1.00 0.00 H ATOM 1406 HB2 ASN A 88 2.191 25.630 29.272 1.00 0.00 H ATOM 1407 HD22 ASN A 88 4.311 28.082 30.625 1.00 0.00 H ATOM 1408 HD21 ASN A 88 2.970 27.678 29.573 1.00 0.00 H ATOM 1409 N ILE A 89 5.959 23.277 28.991 1.00 12.57 N ATOM 1410 CA ILE A 89 6.936 22.254 29.371 1.00 12.70 C ATOM 1411 C ILE A 89 7.727 22.623 30.642 1.00 11.43 C ATOM 1412 O ILE A 89 8.753 22.000 30.897 1.00 12.56 O ATOM 1413 CB ILE A 89 7.881 21.972 28.164 1.00 12.99 C ATOM 1414 CG1 ILE A 89 8.766 23.172 27.739 1.00 14.29 C ATOM 1415 CG2 ILE A 89 7.082 21.403 26.976 1.00 16.72 C ATOM 1416 CD1 ILE A 89 9.889 22.781 26.769 1.00 17.23 C ATOM 1417 H ILE A 89 6.295 24.040 28.420 1.00 0.00 H ATOM 1418 HA ILE A 89 6.422 21.320 29.605 1.00 0.00 H ATOM 1419 HB ILE A 89 8.559 21.174 28.471 1.00 0.00 H ATOM 1420 HG13 ILE A 89 9.237 23.622 28.613 1.00 0.00 H ATOM 1421 HG12 ILE A 89 8.153 23.956 27.292 1.00 0.00 H ATOM 1422 HG21 ILE A 89 7.736 21.035 26.186 1.00 0.00 H ATOM 1423 HG22 ILE A 89 6.460 20.565 27.291 1.00 0.00 H ATOM 1424 HG23 ILE A 89 6.425 22.154 26.538 1.00 0.00 H ATOM 1425 HD11 ILE A 89 10.561 23.617 26.583 1.00 0.00 H ATOM 1426 HD12 ILE A 89 10.489 21.964 27.171 1.00 0.00 H ATOM 1427 HD13 ILE A 89 9.490 22.464 25.806 1.00 0.00 H ATOM 1428 N ALA A 90 7.272 23.597 31.453 1.00 12.52 N ATOM 1429 CA ALA A 90 7.948 24.042 32.679 1.00 11.88 C ATOM 1430 C ALA A 90 8.095 22.936 33.743 1.00 12.16 C ATOM 1431 O ALA A 90 9.166 22.818 34.337 1.00 12.58 O ATOM 1432 CB ALA A 90 7.202 25.245 33.272 1.00 16.43 C ATOM 1433 H ALA A 90 6.415 24.070 31.201 1.00 0.00 H ATOM 1434 HA ALA A 90 8.951 24.371 32.401 1.00 0.00 H ATOM 1435 HB1 ALA A 90 7.688 25.604 34.180 1.00 0.00 H ATOM 1436 HB2 ALA A 90 7.181 26.077 32.567 1.00 0.00 H ATOM 1437 HB3 ALA A 90 6.171 24.994 33.526 1.00 0.00 H ATOM 1438 N ASP A 91 7.058 22.099 33.937 1.00 12.34 N ATOM 1439 CA ASP A 91 7.078 20.947 34.849 1.00 13.06 C ATOM 1440 C ASP A 91 7.867 19.759 34.271 1.00 13.27 C ATOM 1441 O ASP A 91 8.475 19.013 35.040 1.00 14.41 O ATOM 1442 CB ASP A 91 5.635 20.469 35.150 1.00 16.70 C ATOM 1443 CG ASP A 91 4.772 21.484 35.908 1.00 21.64 C ATOM 1444 OD1 ASP A 91 5.347 22.270 36.692 1.00 25.67 O ATOM 1445 OD2 ASP A 91 3.539 21.438 35.708 1.00 30.98 O1- ATOM 1446 H ASP A 91 6.208 22.263 33.416 1.00 0.00 H ATOM 1447 HA ASP A 91 7.561 21.240 35.783 1.00 0.00 H ATOM 1448 HB3 ASP A 91 5.658 19.562 35.756 1.00 0.00 H ATOM 1449 HB2 ASP A 91 5.127 20.202 34.222 1.00 0.00 H ATOM 1450 N ALA A 92 7.907 19.604 32.935 1.00 12.68 N ATOM 1451 CA ALA A 92 8.699 18.582 32.249 1.00 12.92 C ATOM 1452 C ALA A 92 10.202 18.892 32.296 1.00 11.99 C ATOM 1453 O ALA A 92 11.000 17.970 32.445 1.00 13.19 O ATOM 1454 CB ALA A 92 8.240 18.479 30.785 1.00 14.28 C ATOM 1455 H ALA A 92 7.397 20.261 32.363 1.00 0.00 H ATOM 1456 HA ALA A 92 8.551 17.626 32.745 1.00 0.00 H ATOM 1457 HB1 ALA A 92 8.785 17.697 30.254 1.00 0.00 H ATOM 1458 HB2 ALA A 92 7.180 18.230 30.727 1.00 0.00 H ATOM 1459 HB3 ALA A 92 8.391 19.412 30.243 1.00 0.00 H ATOM 1460 N VAL A 93 10.575 20.180 32.230 1.00 11.60 N ATOM 1461 CA VAL A 93 11.938 20.678 32.399 1.00 11.58 C ATOM 1462 C VAL A 93 12.384 20.586 33.870 1.00 10.95 C ATOM 1463 O VAL A 93 13.528 20.214 34.112 1.00 12.78 O ATOM 1464 CB VAL A 93 12.020 22.129 31.846 1.00 12.54 C ATOM 1465 CG1 VAL A 93 13.262 22.907 32.316 1.00 15.10 C ATOM 1466 CG2 VAL A 93 11.981 22.114 30.306 1.00 14.14 C ATOM 1467 H VAL A 93 9.853 20.872 32.077 1.00 0.00 H ATOM 1468 HA VAL A 93 12.613 20.049 31.816 1.00 0.00 H ATOM 1469 HB VAL A 93 11.149 22.688 32.191 1.00 0.00 H ATOM 1470 HG11 VAL A 93 13.464 23.763 31.679 1.00 0.00 H ATOM 1471 HG12 VAL A 93 13.149 23.271 33.338 1.00 0.00 H ATOM 1472 HG13 VAL A 93 14.145 22.276 32.284 1.00 0.00 H ATOM 1473 HG21 VAL A 93 11.963 23.122 29.898 1.00 0.00 H ATOM 1474 HG22 VAL A 93 12.858 21.616 29.895 1.00 0.00 H ATOM 1475 HG23 VAL A 93 11.107 21.592 29.920 1.00 0.00 H ATOM 1476 N ALA A 94 11.498 20.864 34.844 1.00 11.32 N ATOM 1477 CA ALA A 94 11.787 20.761 36.279 1.00 14.03 C ATOM 1478 C ALA A 94 12.049 19.312 36.728 1.00 11.77 C ATOM 1479 O ALA A 94 12.895 19.085 37.594 1.00 13.70 O ATOM 1480 CB ALA A 94 10.602 21.334 37.071 1.00 15.14 C ATOM 1481 H ALA A 94 10.573 21.176 34.579 1.00 0.00 H ATOM 1482 HA ALA A 94 12.676 21.357 36.496 1.00 0.00 H ATOM 1483 HB1 ALA A 94 10.791 21.304 38.144 1.00 0.00 H ATOM 1484 HB2 ALA A 94 10.420 22.376 36.803 1.00 0.00 H ATOM 1485 HB3 ALA A 94 9.683 20.778 36.882 1.00 0.00 H ATOM 1486 N CYS A 95 11.364 18.339 36.105 1.00 11.92 N ATOM 1487 CA CYS A 95 11.549 16.913 36.353 1.00 11.46 C ATOM 1488 C CYS A 95 12.728 16.342 35.547 1.00 10.97 C ATOM 1489 O CYS A 95 13.412 15.460 36.057 1.00 12.53 O ATOM 1490 CB CYS A 95 10.249 16.185 35.977 1.00 12.67 C ATOM 1491 SG CYS A 95 10.185 14.395 36.289 1.00 13.56 S ATOM 1492 H CYS A 95 10.675 18.608 35.415 1.00 0.00 H ATOM 1493 HA CYS A 95 11.740 16.765 37.416 1.00 0.00 H ATOM 1494 HB3 CYS A 95 10.004 16.353 34.927 1.00 0.00 H ATOM 1495 HB2 CYS A 95 9.441 16.636 36.548 1.00 0.00 H ATOM 1496 N ALA A 96 13.027 16.868 34.345 1.00 10.42 N ATOM 1497 CA ALA A 96 14.213 16.502 33.563 1.00 11.09 C ATOM 1498 C ALA A 96 15.511 16.993 34.228 1.00 11.76 C ATOM 1499 O ALA A 96 16.528 16.307 34.145 1.00 13.14 O ATOM 1500 CB ALA A 96 14.109 17.107 32.156 1.00 13.08 C ATOM 1501 H ALA A 96 12.420 17.580 33.962 1.00 0.00 H ATOM 1502 HA ALA A 96 14.254 15.415 33.474 1.00 0.00 H ATOM 1503 HB1 ALA A 96 14.979 16.855 31.550 1.00 0.00 H ATOM 1504 HB2 ALA A 96 13.234 16.723 31.632 1.00 0.00 H ATOM 1505 HB3 ALA A 96 14.029 18.193 32.188 1.00 0.00 H ATOM 1506 N LYS A 97 15.454 18.131 34.944 1.00 11.55 N ATOM 1507 CA LYS A 97 16.514 18.646 35.807 1.00 11.67 C ATOM 1508 C LYS A 97 16.748 17.729 37.019 1.00 11.49 C ATOM 1509 O LYS A 97 17.901 17.460 37.345 1.00 14.28 O ATOM 1510 CB LYS A 97 16.149 20.061 36.291 1.00 12.72 C ATOM 1511 CG LYS A 97 16.418 21.153 35.246 1.00 12.67 C ATOM 1512 CD LYS A 97 16.004 22.536 35.756 1.00 13.88 C ATOM 1513 CE LYS A 97 16.281 23.651 34.743 1.00 14.34 C ATOM 1514 NZ LYS A 97 15.906 24.959 35.301 1.00 16.93 N1+ ATOM 1515 H LYS A 97 14.587 18.651 34.927 1.00 0.00 H ATOM 1516 HA LYS A 97 17.440 18.701 35.233 1.00 0.00 H ATOM 1517 HB3 LYS A 97 16.728 20.308 37.182 1.00 0.00 H ATOM 1518 HB2 LYS A 97 15.105 20.094 36.600 1.00 0.00 H ATOM 1519 HG3 LYS A 97 15.896 20.928 34.318 1.00 0.00 H ATOM 1520 HG2 LYS A 97 17.475 21.163 34.986 1.00 0.00 H ATOM 1521 HD3 LYS A 97 16.534 22.748 36.685 1.00 0.00 H ATOM 1522 HD2 LYS A 97 14.941 22.524 36.001 1.00 0.00 H ATOM 1523 HE3 LYS A 97 15.714 23.483 33.828 1.00 0.00 H ATOM 1524 HE2 LYS A 97 17.336 23.673 34.467 1.00 0.00 H ATOM 1525 HZ1 LYS A 97 15.992 25.661 34.576 1.00 0.00 H ATOM 1526 HZ2 LYS A 97 14.946 24.931 35.612 1.00 0.00 H ATOM 1527 HZ3 LYS A 97 16.510 25.190 36.076 1.00 0.00 H ATOM 1528 N ARG A 98 15.673 17.214 37.649 1.00 12.01 N ATOM 1529 CA ARG A 98 15.731 16.235 38.738 1.00 12.87 C ATOM 1530 C ARG A 98 16.375 14.903 38.308 1.00 12.26 C ATOM 1531 O ARG A 98 17.182 14.371 39.069 1.00 14.55 O ATOM 1532 CB ARG A 98 14.318 16.029 39.345 1.00 13.46 C ATOM 1533 CG ARG A 98 14.161 14.872 40.359 1.00 14.92 C ATOM 1534 CD ARG A 98 15.007 15.024 41.632 1.00 17.52 C ATOM 1535 NE ARG A 98 15.047 13.775 42.407 1.00 17.98 N ATOM 1536 CZ ARG A 98 16.023 12.848 42.369 1.00 18.76 C ATOM 1537 NH1 ARG A 98 17.057 12.948 41.526 1.00 21.63 N ATOM 1538 NH2 ARG A 98 15.965 11.789 43.185 1.00 21.98 N1+ ATOM 1539 H ARG A 98 14.757 17.478 37.314 1.00 0.00 H ATOM 1540 HA ARG A 98 16.372 16.662 39.511 1.00 0.00 H ATOM 1541 HB3 ARG A 98 13.606 15.850 38.543 1.00 0.00 H ATOM 1542 HB2 ARG A 98 13.994 16.958 39.813 1.00 0.00 H ATOM 1543 HG3 ARG A 98 14.369 13.915 39.879 1.00 0.00 H ATOM 1544 HG2 ARG A 98 13.112 14.814 40.649 1.00 0.00 H ATOM 1545 HD3 ARG A 98 14.578 15.804 42.261 1.00 0.00 H ATOM 1546 HD2 ARG A 98 16.024 15.340 41.406 1.00 0.00 H ATOM 1547 HE ARG A 98 14.257 13.615 43.016 1.00 0.00 H ATOM 1548 HH12 ARG A 98 17.804 12.250 41.525 1.00 0.00 H ATOM 1549 HH11 ARG A 98 17.092 13.686 40.834 1.00 0.00 H ATOM 1550 HH22 ARG A 98 16.693 11.088 43.147 1.00 0.00 H ATOM 1551 HH21 ARG A 98 15.204 11.678 43.838 1.00 0.00 H ATOM 1552 N VAL A 99 16.061 14.395 37.101 1.00 11.86 N ATOM 1553 CA VAL A 99 16.634 13.175 36.512 1.00 12.33 C ATOM 1554 C VAL A 99 18.169 13.240 36.435 1.00 12.78 C ATOM 1555 O VAL A 99 18.842 12.297 36.851 1.00 14.35 O ATOM 1556 CB VAL A 99 15.999 12.882 35.120 1.00 12.64 C ATOM 1557 CG1 VAL A 99 16.697 11.742 34.345 1.00 14.52 C ATOM 1558 CG2 VAL A 99 14.495 12.567 35.203 1.00 14.42 C ATOM 1559 H VAL A 99 15.374 14.888 36.546 1.00 0.00 H ATOM 1560 HA VAL A 99 16.386 12.349 37.176 1.00 0.00 H ATOM 1561 HB VAL A 99 16.100 13.785 34.518 1.00 0.00 H ATOM 1562 HG11 VAL A 99 16.147 11.486 33.439 1.00 0.00 H ATOM 1563 HG12 VAL A 99 17.706 12.013 34.031 1.00 0.00 H ATOM 1564 HG13 VAL A 99 16.764 10.837 34.949 1.00 0.00 H ATOM 1565 HG21 VAL A 99 13.982 12.865 34.288 1.00 0.00 H ATOM 1566 HG22 VAL A 99 14.329 11.500 35.323 1.00 0.00 H ATOM 1567 HG23 VAL A 99 14.002 13.056 36.039 1.00 0.00 H ATOM 1568 N VAL A 100 18.713 14.358 35.925 1.00 13.05 N ATOM 1569 CA VAL A 100 20.144 14.521 35.685 1.00 12.65 C ATOM 1570 C VAL A 100 20.926 14.984 36.930 1.00 14.23 C ATOM 1571 O VAL A 100 22.153 15.026 36.854 1.00 17.68 O ATOM 1572 CB VAL A 100 20.380 15.482 34.490 1.00 12.79 C ATOM 1573 CG1 VAL A 100 19.714 14.942 33.214 1.00 14.07 C ATOM 1574 CG2 VAL A 100 19.963 16.941 34.739 1.00 14.57 C ATOM 1575 H VAL A 100 18.098 15.099 35.617 1.00 0.00 H ATOM 1576 HA VAL A 100 20.556 13.549 35.409 1.00 0.00 H ATOM 1577 HB VAL A 100 21.453 15.492 34.296 1.00 0.00 H ATOM 1578 HG11 VAL A 100 20.029 15.495 32.332 1.00 0.00 H ATOM 1579 HG12 VAL A 100 19.963 13.897 33.048 1.00 0.00 H ATOM 1580 HG13 VAL A 100 18.628 15.000 33.271 1.00 0.00 H ATOM 1581 HG21 VAL A 100 20.196 17.566 33.878 1.00 0.00 H ATOM 1582 HG22 VAL A 100 18.894 17.013 34.913 1.00 0.00 H ATOM 1583 HG23 VAL A 100 20.471 17.375 35.597 1.00 0.00 H ATOM 1584 N ARG A 101 20.267 15.274 38.072 1.00 15.12 N ATOM 1585 CA ARG A 101 20.930 15.489 39.368 1.00 17.78 C ATOM 1586 C ARG A 101 21.406 14.175 40.019 1.00 20.08 C ATOM 1587 O ARG A 101 22.267 14.234 40.897 1.00 23.74 O ATOM 1588 CB ARG A 101 20.012 16.246 40.355 1.00 18.42 C ATOM 1589 CG ARG A 101 19.953 17.760 40.075 1.00 18.87 C ATOM 1590 CD ARG A 101 19.425 18.598 41.248 1.00 18.67 C ATOM 1591 NE ARG A 101 18.055 18.238 41.644 1.00 20.24 N ATOM 1592 CZ ARG A 101 16.918 18.759 41.151 1.00 16.31 C ATOM 1593 NH1 ARG A 101 16.921 19.610 40.115 1.00 19.85 N ATOM 1594 NH2 ARG A 101 15.750 18.422 41.710 1.00 21.13 N1+ ATOM 1595 H ARG A 101 19.257 15.229 38.066 1.00 0.00 H ATOM 1596 HA ARG A 101 21.823 16.090 39.215 1.00 0.00 H ATOM 1597 HB3 ARG A 101 20.390 16.119 41.371 1.00 0.00 H ATOM 1598 HB2 ARG A 101 19.009 15.821 40.357 1.00 0.00 H ATOM 1599 HG3 ARG A 101 19.371 17.966 39.183 1.00 0.00 H ATOM 1600 HG2 ARG A 101 20.957 18.120 39.849 1.00 0.00 H ATOM 1601 HD3 ARG A 101 19.470 19.661 41.010 1.00 0.00 H ATOM 1602 HD2 ARG A 101 20.072 18.458 42.115 1.00 0.00 H ATOM 1603 HE ARG A 101 17.988 17.562 42.390 1.00 0.00 H ATOM 1604 HH12 ARG A 101 16.056 19.991 39.760 1.00 0.00 H ATOM 1605 HH11 ARG A 101 17.793 19.863 39.667 1.00 0.00 H ATOM 1606 HH22 ARG A 101 14.885 18.809 41.361 1.00 0.00 H ATOM 1607 HH21 ARG A 101 15.726 17.811 42.514 1.00 0.00 H ATOM 1608 N ASP A 102 20.934 13.003 39.552 1.00 17.13 N ATOM 1609 CA ASP A 102 21.527 11.699 39.876 1.00 18.60 C ATOM 1610 C ASP A 102 22.850 11.508 39.095 1.00 18.33 C ATOM 1611 O ASP A 102 22.997 12.101 38.022 1.00 17.88 O ATOM 1612 CB ASP A 102 20.553 10.550 39.512 1.00 25.63 C ATOM 1613 CG ASP A 102 19.376 10.373 40.479 1.00 29.45 C ATOM 1614 OD1 ASP A 102 19.199 11.224 41.379 1.00 31.08 O ATOM 1615 OD2 ASP A 102 18.673 9.353 40.318 1.00 39.39 O1- ATOM 1616 H ASP A 102 20.227 13.021 38.831 1.00 0.00 H ATOM 1617 HA ASP A 102 21.718 11.687 40.947 1.00 0.00 H ATOM 1618 HB3 ASP A 102 21.081 9.596 39.488 1.00 0.00 H ATOM 1619 HB2 ASP A 102 20.158 10.691 38.506 1.00 0.00 H ATOM 1620 N PRO A 103 23.815 10.707 39.618 1.00 21.13 N ATOM 1621 CA PRO A 103 25.160 10.484 39.042 1.00 24.39 C ATOM 1622 C PRO A 103 25.247 10.156 37.542 1.00 20.09 C ATOM 1623 O PRO A 103 26.219 10.541 36.894 1.00 18.73 O ATOM 1624 CB PRO A 103 25.751 9.315 39.845 1.00 27.01 C ATOM 1625 CG PRO A 103 25.064 9.387 41.192 1.00 27.24 C ATOM 1626 CD PRO A 103 23.697 9.999 40.899 1.00 23.20 C ATOM 1627 HA PRO A 103 25.743 11.386 39.235 1.00 0.00 H ATOM 1628 HB3 PRO A 103 26.837 9.374 39.930 1.00 0.00 H ATOM 1629 HB2 PRO A 103 25.511 8.356 39.382 1.00 0.00 H ATOM 1630 HG3 PRO A 103 25.627 10.053 41.846 1.00 0.00 H ATOM 1631 HG2 PRO A 103 24.997 8.418 41.687 1.00 0.00 H ATOM 1632 HD2 PRO A 103 22.945 9.214 40.816 1.00 0.00 H ATOM 1633 HD3 PRO A 103 23.417 10.657 41.722 1.00 0.00 H ATOM 1634 N GLN A 104 24.237 9.453 37.003 1.00 18.34 N ATOM 1635 CA GLN A 104 24.165 8.982 35.621 1.00 21.23 C ATOM 1636 C GLN A 104 24.032 10.139 34.608 1.00 17.94 C ATOM 1637 O GLN A 104 24.524 10.030 33.485 1.00 18.00 O ATOM 1638 CB GLN A 104 22.953 8.025 35.526 1.00 24.12 C ATOM 1639 CG GLN A 104 23.131 6.914 34.473 1.00 47.13 C ATOM 1640 CD GLN A 104 21.965 5.925 34.356 1.00 47.32 C ATOM 1641 OE1 GLN A 104 22.055 4.973 33.586 1.00 60.39 O ATOM 1642 NE2 GLN A 104 20.870 6.124 35.095 1.00 62.61 N ATOM 1643 H GLN A 104 23.476 9.189 37.612 1.00 0.00 H ATOM 1644 HA GLN A 104 25.086 8.433 35.413 1.00 0.00 H ATOM 1645 HB3 GLN A 104 22.039 8.592 35.337 1.00 0.00 H ATOM 1646 HB2 GLN A 104 22.805 7.538 36.492 1.00 0.00 H ATOM 1647 HG3 GLN A 104 24.035 6.343 34.690 1.00 0.00 H ATOM 1648 HG2 GLN A 104 23.274 7.362 33.492 1.00 0.00 H ATOM 1649 HE22 GLN A 104 20.100 5.475 35.028 1.00 0.00 H ATOM 1650 HE21 GLN A 104 20.817 6.913 35.722 1.00 0.00 H ATOM 1651 N GLY A 105 23.401 11.255 35.013 1.00 16.59 N ATOM 1652 CA GLY A 105 23.160 12.425 34.178 1.00 17.91 C ATOM 1653 C GLY A 105 22.122 12.130 33.092 1.00 15.90 C ATOM 1654 O GLY A 105 21.124 11.454 33.348 1.00 17.09 O ATOM 1655 H GLY A 105 23.053 11.288 35.962 1.00 0.00 H ATOM 1656 HA3 GLY A 105 24.099 12.760 33.734 1.00 0.00 H ATOM 1657 HA2 GLY A 105 22.802 13.239 34.806 1.00 0.00 H ATOM 1658 N ILE A 106 22.373 12.637 31.875 1.00 15.81 N ATOM 1659 CA ILE A 106 21.537 12.441 30.687 1.00 17.11 C ATOM 1660 C ILE A 106 21.655 11.018 30.077 1.00 15.80 C ATOM 1661 O ILE A 106 20.874 10.675 29.190 1.00 16.82 O ATOM 1662 CB ILE A 106 21.877 13.558 29.659 1.00 17.55 C ATOM 1663 CG1 ILE A 106 20.840 13.639 28.514 1.00 19.14 C ATOM 1664 CG2 ILE A 106 23.323 13.479 29.123 1.00 21.03 C ATOM 1665 CD1 ILE A 106 20.763 15.008 27.828 1.00 17.90 C ATOM 1666 H ILE A 106 23.210 13.187 31.753 1.00 0.00 H ATOM 1667 HA ILE A 106 20.499 12.569 30.997 1.00 0.00 H ATOM 1668 HB ILE A 106 21.794 14.498 30.203 1.00 0.00 H ATOM 1669 HG13 ILE A 106 19.848 13.418 28.906 1.00 0.00 H ATOM 1670 HG12 ILE A 106 21.043 12.872 27.771 1.00 0.00 H ATOM 1671 HG21 ILE A 106 23.546 14.309 28.454 1.00 0.00 H ATOM 1672 HG22 ILE A 106 24.054 13.519 29.930 1.00 0.00 H ATOM 1673 HG23 ILE A 106 23.497 12.558 28.569 1.00 0.00 H ATOM 1674 HD11 ILE A 106 20.051 14.986 27.003 1.00 0.00 H ATOM 1675 HD12 ILE A 106 20.426 15.773 28.526 1.00 0.00 H ATOM 1676 HD13 ILE A 106 21.725 15.313 27.420 1.00 0.00 H ATOM 1677 N ARG A 107 22.558 10.158 30.588 1.00 16.58 N ATOM 1678 CA ARG A 107 22.642 8.734 30.233 1.00 17.13 C ATOM 1679 C ARG A 107 21.521 7.898 30.877 1.00 20.36 C ATOM 1680 O ARG A 107 21.404 6.721 30.550 1.00 21.86 O ATOM 1681 CB ARG A 107 23.999 8.150 30.677 1.00 18.94 C ATOM 1682 CG ARG A 107 25.170 8.719 29.876 1.00 23.89 C ATOM 1683 CD ARG A 107 26.543 8.362 30.455 1.00 39.98 C ATOM 1684 NE ARG A 107 27.556 9.239 29.859 1.00 47.72 N ATOM 1685 CZ ARG A 107 27.765 10.519 30.213 1.00 67.00 C ATOM 1686 NH1 ARG A 107 27.120 11.080 31.250 1.00 74.07 N ATOM 1687 NH2 ARG A 107 28.626 11.255 29.502 1.00 64.71 N1+ ATOM 1688 H ARG A 107 23.160 10.486 31.331 1.00 0.00 H ATOM 1689 HA ARG A 107 22.549 8.627 29.151 1.00 0.00 H ATOM 1690 HB3 ARG A 107 24.012 7.064 30.566 1.00 0.00 H ATOM 1691 HB2 ARG A 107 24.154 8.342 31.733 1.00 0.00 H ATOM 1692 HG3 ARG A 107 25.077 9.804 29.813 1.00 0.00 H ATOM 1693 HG2 ARG A 107 25.103 8.349 28.853 1.00 0.00 H ATOM 1694 HD3 ARG A 107 26.788 7.321 30.240 1.00 0.00 H ATOM 1695 HD2 ARG A 107 26.561 8.475 31.539 1.00 0.00 H ATOM 1696 HE ARG A 107 28.058 8.864 29.065 1.00 0.00 H ATOM 1697 HH12 ARG A 107 27.293 12.042 31.504 1.00 0.00 H ATOM 1698 HH11 ARG A 107 26.471 10.533 31.799 1.00 0.00 H ATOM 1699 HH22 ARG A 107 28.803 12.219 29.747 1.00 0.00 H ATOM 1700 HH21 ARG A 107 29.121 10.847 28.722 1.00 0.00 H ATOM 1701 N ALA A 108 20.664 8.490 31.730 1.00 18.54 N ATOM 1702 CA ALA A 108 19.431 7.889 32.247 1.00 21.58 C ATOM 1703 C ALA A 108 18.442 7.492 31.134 1.00 18.41 C ATOM 1704 O ALA A 108 17.742 6.489 31.269 1.00 24.26 O ATOM 1705 CB ALA A 108 18.775 8.875 33.225 1.00 25.52 C ATOM 1706 H ALA A 108 20.827 9.460 31.963 1.00 0.00 H ATOM 1707 HA ALA A 108 19.694 6.981 32.787 1.00 0.00 H ATOM 1708 HB1 ALA A 108 17.858 8.464 33.650 1.00 0.00 H ATOM 1709 HB2 ALA A 108 19.444 9.106 34.054 1.00 0.00 H ATOM 1710 HB3 ALA A 108 18.520 9.815 32.733 1.00 0.00 H ATOM 1711 N TRP A 109 18.441 8.241 30.020 1.00 16.15 N ATOM 1712 CA TRP A 109 17.740 7.918 28.784 1.00 16.79 C ATOM 1713 C TRP A 109 18.709 7.185 27.845 1.00 15.57 C ATOM 1714 O TRP A 109 19.772 7.711 27.507 1.00 17.44 O ATOM 1715 CB TRP A 109 17.321 9.240 28.122 1.00 14.21 C ATOM 1716 CG TRP A 109 16.287 10.026 28.874 1.00 14.22 C ATOM 1717 CD1 TRP A 109 14.955 9.798 28.843 1.00 17.01 C ATOM 1718 CD2 TRP A 109 16.469 11.193 29.734 1.00 13.07 C ATOM 1719 NE1 TRP A 109 14.306 10.736 29.615 1.00 16.16 N ATOM 1720 CE2 TRP A 109 15.184 11.642 30.169 1.00 14.95 C ATOM 1721 CE3 TRP A 109 17.588 11.935 30.175 1.00 14.74 C ATOM 1722 CZ2 TRP A 109 15.018 12.783 30.974 1.00 16.94 C ATOM 1723 CZ3 TRP A 109 17.434 13.082 30.979 1.00 14.74 C ATOM 1724 CH2 TRP A 109 16.153 13.510 31.376 1.00 16.52 C ATOM 1725 H TRP A 109 19.059 9.040 29.991 1.00 0.00 H ATOM 1726 HA TRP A 109 16.857 7.305 28.975 1.00 0.00 H ATOM 1727 HB3 TRP A 109 16.919 9.033 27.131 1.00 0.00 H ATOM 1728 HB2 TRP A 109 18.186 9.885 27.958 1.00 0.00 H ATOM 1729 HD1 TRP A 109 14.482 9.007 28.278 1.00 0.00 H ATOM 1730 HE1 TRP A 109 13.297 10.769 29.678 1.00 0.00 H ATOM 1731 HE3 TRP A 109 18.574 11.627 29.867 1.00 0.00 H ATOM 1732 HZ2 TRP A 109 14.031 13.102 31.276 1.00 0.00 H ATOM 1733 HZ3 TRP A 109 18.306 13.642 31.279 1.00 0.00 H ATOM 1734 HH2 TRP A 109 16.044 14.392 31.990 1.00 0.00 H ATOM 1735 N VAL A 110 18.330 5.967 27.419 1.00 18.17 N ATOM 1736 CA VAL A 110 19.121 5.112 26.527 1.00 20.77 C ATOM 1737 C VAL A 110 19.143 5.637 25.080 1.00 18.43 C ATOM 1738 O VAL A 110 20.101 5.358 24.362 1.00 20.67 O ATOM 1739 CB VAL A 110 18.585 3.652 26.554 1.00 28.20 C ATOM 1740 CG1 VAL A 110 18.656 3.049 27.967 1.00 32.48 C ATOM 1741 CG2 VAL A 110 17.175 3.467 25.956 1.00 32.96 C ATOM 1742 H VAL A 110 17.446 5.601 27.743 1.00 0.00 H ATOM 1743 HA VAL A 110 20.150 5.103 26.891 1.00 0.00 H ATOM 1744 HB VAL A 110 19.261 3.056 25.938 1.00 0.00 H ATOM 1745 HG11 VAL A 110 18.399 1.990 27.955 1.00 0.00 H ATOM 1746 HG12 VAL A 110 19.660 3.137 28.382 1.00 0.00 H ATOM 1747 HG13 VAL A 110 17.969 3.545 28.654 1.00 0.00 H ATOM 1748 HG21 VAL A 110 16.856 2.427 26.028 1.00 0.00 H ATOM 1749 HG22 VAL A 110 16.435 4.072 26.482 1.00 0.00 H ATOM 1750 HG23 VAL A 110 17.135 3.734 24.900 1.00 0.00 H ATOM 1751 N ALA A 111 18.130 6.421 24.664 1.00 18.39 N ATOM 1752 CA ALA A 111 18.041 7.027 23.335 1.00 20.08 C ATOM 1753 C ALA A 111 19.120 8.096 23.120 1.00 17.47 C ATOM 1754 O ALA A 111 19.592 8.244 21.997 1.00 19.35 O ATOM 1755 CB ALA A 111 16.661 7.673 23.153 1.00 21.74 C ATOM 1756 H ALA A 111 17.379 6.617 25.311 1.00 0.00 H ATOM 1757 HA ALA A 111 18.165 6.241 22.587 1.00 0.00 H ATOM 1758 HB1 ALA A 111 16.514 8.007 22.125 1.00 0.00 H ATOM 1759 HB2 ALA A 111 15.857 6.975 23.387 1.00 0.00 H ATOM 1760 HB3 ALA A 111 16.546 8.546 23.795 1.00 0.00 H ATOM 1761 N TRP A 112 19.559 8.786 24.192 1.00 16.39 N ATOM 1762 CA TRP A 112 20.690 9.708 24.155 1.00 14.27 C ATOM 1763 C TRP A 112 22.023 8.959 23.971 1.00 14.94 C ATOM 1764 O TRP A 112 22.895 9.463 23.269 1.00 14.58 O ATOM 1765 CB TRP A 112 20.733 10.550 25.446 1.00 14.56 C ATOM 1766 CG TRP A 112 21.811 11.595 25.463 1.00 15.83 C ATOM 1767 CD1 TRP A 112 21.694 12.854 24.983 1.00 15.71 C ATOM 1768 CD2 TRP A 112 23.191 11.468 25.925 1.00 15.54 C ATOM 1769 NE1 TRP A 112 22.913 13.494 25.070 1.00 15.81 N ATOM 1770 CE2 TRP A 112 23.877 12.685 25.632 1.00 16.34 C ATOM 1771 CE3 TRP A 112 23.942 10.441 26.546 1.00 16.24 C ATOM 1772 CZ2 TRP A 112 25.241 12.868 25.919 1.00 19.60 C ATOM 1773 CZ3 TRP A 112 25.307 10.619 26.850 1.00 19.22 C ATOM 1774 CH2 TRP A 112 25.958 11.827 26.534 1.00 21.44 C ATOM 1775 H TRP A 112 19.131 8.605 25.089 1.00 0.00 H ATOM 1776 HA TRP A 112 20.553 10.383 23.308 1.00 0.00 H ATOM 1777 HB3 TRP A 112 20.846 9.918 26.328 1.00 0.00 H ATOM 1778 HB2 TRP A 112 19.779 11.063 25.562 1.00 0.00 H ATOM 1779 HD1 TRP A 112 20.794 13.263 24.546 1.00 0.00 H ATOM 1780 HE1 TRP A 112 23.067 14.432 24.725 1.00 0.00 H ATOM 1781 HE3 TRP A 112 23.462 9.503 26.784 1.00 0.00 H ATOM 1782 HZ2 TRP A 112 25.731 13.799 25.678 1.00 0.00 H ATOM 1783 HZ3 TRP A 112 25.867 9.822 27.312 1.00 0.00 H ATOM 1784 HH2 TRP A 112 27.005 11.954 26.764 1.00 0.00 H ATOM 1785 N ARG A 113 22.182 7.752 24.542 1.00 15.14 N ATOM 1786 CA ARG A 113 23.387 6.935 24.363 1.00 16.43 C ATOM 1787 C ARG A 113 23.515 6.426 22.917 1.00 17.09 C ATOM 1788 O ARG A 113 24.624 6.357 22.390 1.00 18.84 O ATOM 1789 CB ARG A 113 23.364 5.703 25.286 1.00 19.05 C ATOM 1790 CG ARG A 113 23.190 5.990 26.783 1.00 21.06 C ATOM 1791 CD ARG A 113 23.337 4.692 27.592 1.00 31.33 C ATOM 1792 NE ARG A 113 22.597 4.736 28.857 1.00 32.96 N ATOM 1793 CZ ARG A 113 22.247 3.670 29.597 1.00 39.44 C ATOM 1794 NH1 ARG A 113 22.564 2.422 29.227 1.00 48.10 N ATOM 1795 NH2 ARG A 113 21.568 3.859 30.733 1.00 49.31 N1+ ATOM 1796 H ARG A 113 21.424 7.367 25.088 1.00 0.00 H ATOM 1797 HA ARG A 113 24.256 7.544 24.608 1.00 0.00 H ATOM 1798 HB3 ARG A 113 24.299 5.156 25.150 1.00 0.00 H ATOM 1799 HB2 ARG A 113 22.578 5.016 24.970 1.00 0.00 H ATOM 1800 HG3 ARG A 113 22.216 6.447 26.967 1.00 0.00 H ATOM 1801 HG2 ARG A 113 23.938 6.713 27.111 1.00 0.00 H ATOM 1802 HD3 ARG A 113 24.387 4.468 27.780 1.00 0.00 H ATOM 1803 HD2 ARG A 113 22.933 3.861 27.013 1.00 0.00 H ATOM 1804 HE ARG A 113 22.334 5.651 29.202 1.00 0.00 H ATOM 1805 HH12 ARG A 113 22.295 1.633 29.796 1.00 0.00 H ATOM 1806 HH11 ARG A 113 23.079 2.263 28.373 1.00 0.00 H ATOM 1807 HH22 ARG A 113 21.305 3.083 31.322 1.00 0.00 H ATOM 1808 HH21 ARG A 113 21.339 4.802 31.028 1.00 0.00 H ATOM 1809 N ASN A 114 22.375 6.092 22.287 1.00 15.91 N ATOM 1810 CA ASN A 114 22.293 5.523 20.945 1.00 17.99 C ATOM 1811 C ASN A 114 22.429 6.604 19.858 1.00 15.89 C ATOM 1812 O ASN A 114 23.071 6.343 18.842 1.00 20.21 O ATOM 1813 CB ASN A 114 20.912 4.841 20.749 1.00 22.77 C ATOM 1814 CG ASN A 114 20.625 3.656 21.680 1.00 26.98 C ATOM 1815 OD1 ASN A 114 21.518 3.112 22.326 1.00 28.93 O ATOM 1816 ND2 ASN A 114 19.352 3.262 21.771 1.00 33.78 N ATOM 1817 H ASN A 114 21.511 6.175 22.806 1.00 0.00 H ATOM 1818 HA ASN A 114 23.088 4.786 20.809 1.00 0.00 H ATOM 1819 HB3 ASN A 114 20.821 4.476 19.725 1.00 0.00 H ATOM 1820 HB2 ASN A 114 20.116 5.574 20.887 1.00 0.00 H ATOM 1821 HD22 ASN A 114 19.115 2.494 22.382 1.00 0.00 H ATOM 1822 HD21 ASN A 114 18.634 3.730 21.238 1.00 0.00 H ATOM 1823 N ARG A 115 21.813 7.785 20.049 1.00 16.64 N ATOM 1824 CA ARG A 115 21.603 8.791 19.003 1.00 17.38 C ATOM 1825 C ARG A 115 22.409 10.087 19.184 1.00 17.46 C ATOM 1826 O ARG A 115 22.424 10.886 18.248 1.00 20.36 O ATOM 1827 CB ARG A 115 20.110 9.192 18.986 1.00 18.38 C ATOM 1828 CG ARG A 115 19.120 8.051 18.697 1.00 24.94 C ATOM 1829 CD ARG A 115 19.132 7.625 17.226 1.00 30.28 C ATOM 1830 NE ARG A 115 18.091 6.628 16.952 1.00 32.22 N ATOM 1831 CZ ARG A 115 17.659 6.271 15.731 1.00 32.89 C ATOM 1832 NH1 ARG A 115 18.152 6.844 14.623 1.00 35.05 N ATOM 1833 NH2 ARG A 115 16.721 5.323 15.618 1.00 36.35 N1+ ATOM 1834 H ARG A 115 21.313 7.924 20.918 1.00 0.00 H ATOM 1835 HA ARG A 115 21.867 8.389 18.023 1.00 0.00 H ATOM 1836 HB3 ARG A 115 19.954 9.964 18.233 1.00 0.00 H ATOM 1837 HB2 ARG A 115 19.845 9.664 19.932 1.00 0.00 H ATOM 1838 HG3 ARG A 115 18.118 8.389 18.954 1.00 0.00 H ATOM 1839 HG2 ARG A 115 19.313 7.195 19.343 1.00 0.00 H ATOM 1840 HD3 ARG A 115 20.101 7.205 16.952 1.00 0.00 H ATOM 1841 HD2 ARG A 115 18.964 8.496 16.593 1.00 0.00 H ATOM 1842 HE ARG A 115 17.701 6.160 17.758 1.00 0.00 H ATOM 1843 HH12 ARG A 115 17.823 6.568 13.709 1.00 0.00 H ATOM 1844 HH11 ARG A 115 18.850 7.569 14.700 1.00 0.00 H ATOM 1845 HH22 ARG A 115 16.385 5.040 14.709 1.00 0.00 H ATOM 1846 HH21 ARG A 115 16.336 4.883 16.441 1.00 0.00 H ATOM 1847 N CYS A 116 23.024 10.337 20.354 1.00 15.08 N ATOM 1848 CA CYS A 116 23.573 11.652 20.722 1.00 14.67 C ATOM 1849 C CYS A 116 24.998 11.587 21.279 1.00 16.40 C ATOM 1850 O CYS A 116 25.790 12.490 21.006 1.00 18.54 O ATOM 1851 CB CYS A 116 22.628 12.374 21.703 1.00 14.17 C ATOM 1852 SG CYS A 116 20.892 12.480 21.199 1.00 14.27 S ATOM 1853 H CYS A 116 22.967 9.641 21.085 1.00 0.00 H ATOM 1854 HA CYS A 116 23.644 12.280 19.833 1.00 0.00 H ATOM 1855 HB3 CYS A 116 22.987 13.385 21.901 1.00 0.00 H ATOM 1856 HB2 CYS A 116 22.649 11.864 22.661 1.00 0.00 H ATOM 1857 N GLN A 117 25.326 10.542 22.057 1.00 16.23 N ATOM 1858 CA GLN A 117 26.612 10.385 22.734 1.00 18.20 C ATOM 1859 C GLN A 117 27.710 10.055 21.716 1.00 20.42 C ATOM 1860 O GLN A 117 27.559 9.131 20.916 1.00 20.59 O ATOM 1861 CB GLN A 117 26.510 9.242 23.764 1.00 19.87 C ATOM 1862 CG GLN A 117 27.732 9.178 24.710 1.00 23.21 C ATOM 1863 CD GLN A 117 27.716 8.047 25.744 1.00 24.24 C ATOM 1864 OE1 GLN A 117 28.504 8.075 26.685 1.00 33.47 O ATOM 1865 NE2 GLN A 117 26.826 7.062 25.606 1.00 37.16 N ATOM 1866 H GLN A 117 24.616 9.850 22.253 1.00 0.00 H ATOM 1867 HA GLN A 117 26.842 11.318 23.254 1.00 0.00 H ATOM 1868 HB3 GLN A 117 26.376 8.291 23.246 1.00 0.00 H ATOM 1869 HB2 GLN A 117 25.612 9.393 24.361 1.00 0.00 H ATOM 1870 HG3 GLN A 117 27.836 10.124 25.241 1.00 0.00 H ATOM 1871 HG2 GLN A 117 28.647 9.059 24.136 1.00 0.00 H ATOM 1872 HE22 GLN A 117 26.810 6.307 26.275 1.00 0.00 H ATOM 1873 HE21 GLN A 117 26.204 7.054 24.810 1.00 0.00 H ATOM 1874 N ASN A 118 28.799 10.838 21.754 1.00 23.71 N ATOM 1875 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1876 C ASN A 118 29.756 11.143 19.452 1.00 27.64 C ATOM 1877 O ASN A 118 30.561 10.822 18.579 1.00 33.21 O ATOM 1878 CB ASN A 118 30.707 9.341 21.049 1.00 34.02 C ATOM 1879 CG ASN A 118 31.107 8.988 22.486 1.00 36.99 C ATOM 1880 OD1 ASN A 118 31.716 9.796 23.184 1.00 41.09 O ATOM 1881 ND2 ASN A 118 30.734 7.793 22.948 1.00 45.69 N ATOM 1882 H ASN A 118 28.812 11.580 22.439 1.00 0.00 H ATOM 1883 HA ASN A 118 30.687 11.470 21.301 1.00 0.00 H ATOM 1884 HB3 ASN A 118 31.624 9.337 20.458 1.00 0.00 H ATOM 1885 HB2 ASN A 118 30.085 8.548 20.632 1.00 0.00 H ATOM 1886 HD22 ASN A 118 30.972 7.528 23.893 1.00 0.00 H ATOM 1887 HD21 ASN A 118 30.223 7.157 22.353 1.00 0.00 H ATOM 1888 N ARG A 119 28.647 11.854 19.190 1.00 26.95 N ATOM 1889 CA ARG A 119 28.271 12.405 17.892 1.00 29.41 C ATOM 1890 C ARG A 119 28.339 13.934 17.931 1.00 27.46 C ATOM 1891 O ARG A 119 28.268 14.551 18.996 1.00 28.03 O ATOM 1892 CB ARG A 119 26.818 12.009 17.561 1.00 27.29 C ATOM 1893 CG ARG A 119 26.577 10.495 17.472 1.00 29.07 C ATOM 1894 CD ARG A 119 25.329 10.191 16.636 1.00 33.27 C ATOM 1895 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1896 CZ ARG A 119 24.467 7.968 15.849 1.00 33.71 C ATOM 1897 NH1 ARG A 119 24.506 8.314 14.555 1.00 39.46 N ATOM 1898 NH2 ARG A 119 24.017 6.752 16.178 1.00 32.31 N1+ ATOM 1899 H ARG A 119 28.038 12.076 19.965 1.00 0.00 H ATOM 1900 HA ARG A 119 28.932 12.042 17.103 1.00 0.00 H ATOM 1901 HB3 ARG A 119 26.554 12.454 16.600 1.00 0.00 H ATOM 1902 HB2 ARG A 119 26.123 12.440 18.284 1.00 0.00 H ATOM 1903 HG3 ARG A 119 26.488 10.074 18.474 1.00 0.00 H ATOM 1904 HG2 ARG A 119 27.437 10.012 17.006 1.00 0.00 H ATOM 1905 HD3 ARG A 119 25.546 10.400 15.589 1.00 0.00 H ATOM 1906 HD2 ARG A 119 24.522 10.864 16.915 1.00 0.00 H ATOM 1907 HE ARG A 119 24.797 8.495 17.780 1.00 0.00 H ATOM 1908 HH12 ARG A 119 24.210 7.669 13.837 1.00 0.00 H ATOM 1909 HH11 ARG A 119 24.842 9.228 14.290 1.00 0.00 H ATOM 1910 HH22 ARG A 119 23.735 6.096 15.465 1.00 0.00 H ATOM 1911 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1912 N ASP A 120 28.402 14.536 16.734 1.00 30.41 N ATOM 1913 CA ASP A 120 28.219 15.965 16.510 1.00 27.35 C ATOM 1914 C ASP A 120 26.710 16.272 16.595 1.00 25.50 C ATOM 1915 O ASP A 120 25.926 15.774 15.786 1.00 30.21 O ATOM 1916 CB ASP A 120 28.797 16.303 15.111 1.00 31.42 C ATOM 1917 CG ASP A 120 28.834 17.795 14.754 1.00 38.14 C ATOM 1918 OD1 ASP A 120 28.430 18.619 15.603 1.00 41.12 O ATOM 1919 OD2 ASP A 120 29.307 18.095 13.636 1.00 34.42 O1- ATOM 1920 H ASP A 120 28.453 13.954 15.911 1.00 0.00 H ATOM 1921 HA ASP A 120 28.766 16.522 17.274 1.00 0.00 H ATOM 1922 HB3 ASP A 120 28.243 15.780 14.331 1.00 0.00 H ATOM 1923 HB2 ASP A 120 29.822 15.936 15.049 1.00 0.00 H ATOM 1924 N VAL A 121 26.323 17.076 17.598 1.00 22.52 N ATOM 1925 CA VAL A 121 24.941 17.432 17.934 1.00 21.13 C ATOM 1926 C VAL A 121 24.664 18.939 17.755 1.00 22.32 C ATOM 1927 O VAL A 121 23.569 19.394 18.080 1.00 18.74 O ATOM 1928 CB VAL A 121 24.573 16.913 19.356 1.00 22.58 C ATOM 1929 CG1 VAL A 121 24.535 15.376 19.425 1.00 30.69 C ATOM 1930 CG2 VAL A 121 25.471 17.477 20.473 1.00 25.84 C ATOM 1931 H VAL A 121 27.043 17.430 18.212 1.00 0.00 H ATOM 1932 HA VAL A 121 24.261 16.947 17.231 1.00 0.00 H ATOM 1933 HB VAL A 121 23.558 17.244 19.578 1.00 0.00 H ATOM 1934 HG11 VAL A 121 24.173 15.038 20.396 1.00 0.00 H ATOM 1935 HG12 VAL A 121 23.873 14.958 18.667 1.00 0.00 H ATOM 1936 HG13 VAL A 121 25.523 14.941 19.274 1.00 0.00 H ATOM 1937 HG21 VAL A 121 25.104 17.172 21.453 1.00 0.00 H ATOM 1938 HG22 VAL A 121 26.497 17.118 20.382 1.00 0.00 H ATOM 1939 HG23 VAL A 121 25.498 18.566 20.464 1.00 0.00 H ATOM 1940 N ARG A 122 25.614 19.717 17.201 1.00 27.46 N ATOM 1941 CA ARG A 122 25.458 21.136 16.841 1.00 27.65 C ATOM 1942 C ARG A 122 24.280 21.427 15.891 1.00 24.97 C ATOM 1943 O ARG A 122 23.700 22.511 15.967 1.00 25.46 O ATOM 1944 CB AARG A 122 26.810 21.673 16.305 0.50 29.85 C ATOM 1945 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1946 CG AARG A 122 26.773 22.776 15.218 0.50 34.26 C ATOM 1947 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1948 CD AARG A 122 28.152 23.363 14.888 0.50 33.83 C ATOM 1949 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1950 NE AARG A 122 29.113 22.305 14.547 0.50 37.37 N ATOM 1951 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1952 CZ AARG A 122 29.992 21.741 15.393 0.50 37.41 C ATOM 1953 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1954 NH1AARG A 122 30.125 22.162 16.660 0.50 44.26 N ATOM 1955 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1956 NH2AARG A 122 30.746 20.721 14.968 0.50 43.88 N1+ ATOM 1957 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1958 H ARG A 122 26.486 19.276 16.937 1.00 0.00 H ATOM 1959 HA ARG A 122 25.235 21.675 17.764 1.00 0.00 H ATOM 1960 HB3AARG A 122 27.382 20.842 15.901 0.50 0.00 H ATOM 1961 HB3BARG A 122 26.793 22.602 16.073 0.50 0.00 H ATOM 1962 HB2AARG A 122 27.382 22.035 17.159 0.50 0.00 H ATOM 1963 HB2BARG A 122 26.957 21.027 15.280 0.50 0.00 H ATOM 1964 HG3AARG A 122 26.130 23.595 15.543 0.50 0.00 H ATOM 1965 HG3BARG A 122 28.972 21.518 16.609 0.50 0.00 H ATOM 1966 HG2AARG A 122 26.335 22.382 14.300 0.50 0.00 H ATOM 1967 HG2BARG A 122 28.071 20.146 17.357 0.50 0.00 H ATOM 1968 HD3AARG A 122 28.521 23.969 15.714 0.50 0.00 H ATOM 1969 HD3BARG A 122 28.869 22.454 18.701 0.50 0.00 H ATOM 1970 HD2AARG A 122 28.065 24.035 14.033 0.50 0.00 H ATOM 1971 HD2BARG A 122 27.552 21.367 19.222 0.50 0.00 H ATOM 1972 HE AARG A 122 29.041 21.927 13.612 0.50 0.00 H ATOM 1973 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1974 HH12AARG A 122 30.783 21.718 17.283 0.50 0.00 H ATOM 1975 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1976 HH11AARG A 122 29.561 22.929 16.995 0.50 0.00 H ATOM 1977 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1978 HH22AARG A 122 31.397 20.270 15.592 0.50 0.00 H ATOM 1979 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1980 HH21AARG A 122 30.580 20.308 14.060 0.50 0.00 H ATOM 1981 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1982 N GLN A 123 23.930 20.464 15.020 1.00 26.01 N ATOM 1983 CA GLN A 123 22.850 20.541 14.035 1.00 28.19 C ATOM 1984 C GLN A 123 21.465 20.898 14.610 1.00 24.96 C ATOM 1985 O GLN A 123 20.659 21.514 13.914 1.00 26.43 O ATOM 1986 CB GLN A 123 22.787 19.239 13.210 1.00 33.36 C ATOM 1987 CG GLN A 123 22.477 17.957 14.021 1.00 45.52 C ATOM 1988 CD GLN A 123 22.225 16.701 13.178 1.00 48.33 C ATOM 1989 OE1 GLN A 123 22.329 15.594 13.698 1.00 50.12 O ATOM 1990 NE2 GLN A 123 21.914 16.838 11.886 1.00 61.45 N ATOM 1991 H GLN A 123 24.468 19.610 15.037 1.00 0.00 H ATOM 1992 HA GLN A 123 23.142 21.328 13.345 1.00 0.00 H ATOM 1993 HB3 GLN A 123 23.734 19.106 12.682 1.00 0.00 H ATOM 1994 HB2 GLN A 123 22.035 19.382 12.433 1.00 0.00 H ATOM 1995 HG3 GLN A 123 21.585 18.096 14.630 1.00 0.00 H ATOM 1996 HG2 GLN A 123 23.292 17.749 14.715 1.00 0.00 H ATOM 1997 HE22 GLN A 123 21.761 16.015 11.323 1.00 0.00 H ATOM 1998 HE21 GLN A 123 21.846 17.757 11.474 1.00 0.00 H ATOM 1999 N TYR A 124 21.194 20.524 15.872 1.00 21.23 N ATOM 2000 CA TYR A 124 19.892 20.681 16.515 1.00 20.57 C ATOM 2001 C TYR A 124 19.659 22.098 17.081 1.00 17.27 C ATOM 2002 O TYR A 124 18.516 22.418 17.406 1.00 19.70 O ATOM 2003 CB TYR A 124 19.781 19.656 17.663 1.00 20.32 C ATOM 2004 CG TYR A 124 19.869 18.204 17.224 1.00 17.15 C ATOM 2005 CD1 TYR A 124 18.837 17.628 16.454 1.00 23.75 C ATOM 2006 CD2 TYR A 124 20.993 17.427 17.565 1.00 19.77 C ATOM 2007 CE1 TYR A 124 18.945 16.295 16.009 1.00 24.75 C ATOM 2008 CE2 TYR A 124 21.118 16.108 17.096 1.00 21.05 C ATOM 2009 CZ TYR A 124 20.093 15.539 16.320 1.00 20.92 C ATOM 2010 OH TYR A 124 20.219 14.258 15.867 1.00 25.52 O ATOM 2011 H TYR A 124 21.912 20.039 16.392 1.00 0.00 H ATOM 2012 HA TYR A 124 19.107 20.472 15.787 1.00 0.00 H ATOM 2013 HB3 TYR A 124 18.806 19.766 18.128 1.00 0.00 H ATOM 2014 HB2 TYR A 124 20.524 19.856 18.438 1.00 0.00 H ATOM 2015 HD1 TYR A 124 17.964 18.208 16.193 1.00 0.00 H ATOM 2016 HD2 TYR A 124 21.766 17.838 18.189 1.00 0.00 H ATOM 2017 HE1 TYR A 124 18.156 15.861 15.413 1.00 0.00 H ATOM 2018 HE2 TYR A 124 21.997 15.533 17.344 1.00 0.00 H ATOM 2019 HH TYR A 124 21.088 13.912 16.007 1.00 0.00 H ATOM 2020 N VAL A 125 20.696 22.955 17.146 1.00 19.87 N ATOM 2021 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 2022 C VAL A 125 21.133 25.394 16.677 1.00 21.10 C ATOM 2023 O VAL A 125 21.022 26.581 16.988 1.00 21.37 O ATOM 2024 CB VAL A 125 21.380 24.430 19.037 1.00 21.60 C ATOM 2025 CG1 VAL A 125 20.613 23.726 20.164 1.00 23.75 C ATOM 2026 CG2 VAL A 125 22.845 23.956 18.978 1.00 24.99 C ATOM 2027 H VAL A 125 21.601 22.620 16.845 1.00 0.00 H ATOM 2028 HA VAL A 125 19.603 24.601 17.854 1.00 0.00 H ATOM 2029 HB VAL A 125 21.412 25.482 19.323 1.00 0.00 H ATOM 2030 HG11 VAL A 125 21.145 23.810 21.112 1.00 0.00 H ATOM 2031 HG12 VAL A 125 19.629 24.175 20.302 1.00 0.00 H ATOM 2032 HG13 VAL A 125 20.469 22.667 19.953 1.00 0.00 H ATOM 2033 HG21 VAL A 125 23.351 24.143 19.925 1.00 0.00 H ATOM 2034 HG22 VAL A 125 22.913 22.886 18.775 1.00 0.00 H ATOM 2035 HG23 VAL A 125 23.407 24.477 18.202 1.00 0.00 H ATOM 2036 N GLN A 126 21.660 25.012 15.498 1.00 23.38 N ATOM 2037 CA GLN A 126 22.195 25.952 14.508 1.00 29.06 C ATOM 2038 C GLN A 126 21.098 26.850 13.904 1.00 27.13 C ATOM 2039 O GLN A 126 20.026 26.378 13.525 1.00 27.14 O ATOM 2040 CB AGLN A 126 22.989 25.197 13.418 0.50 31.28 C ATOM 2041 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 2042 CG AGLN A 126 22.199 24.232 12.496 0.50 33.72 C ATOM 2043 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 2044 CD AGLN A 126 22.525 24.355 11.003 0.50 47.22 C ATOM 2045 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 2046 OE1AGLN A 126 22.738 23.344 10.337 0.50 45.69 O ATOM 2047 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 2048 NE2AGLN A 126 22.581 25.576 10.465 0.50 49.55 N ATOM 2049 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 2050 H GLN A 126 21.737 24.025 15.296 1.00 0.00 H ATOM 2051 HA GLN A 126 22.907 26.591 15.035 1.00 0.00 H ATOM 2052 HB3AGLN A 126 23.779 24.623 13.904 0.50 0.00 H ATOM 2053 HB3BGLN A 126 23.741 25.920 13.076 0.50 0.00 H ATOM 2054 HB2AGLN A 126 23.530 25.942 12.834 0.50 0.00 H ATOM 2055 HB2BGLN A 126 22.419 24.920 12.610 0.50 0.00 H ATOM 2056 HG3AGLN A 126 21.123 24.348 12.600 0.50 0.00 H ATOM 2057 HG3BGLN A 126 24.036 23.345 13.084 0.50 0.00 H ATOM 2058 HG2AGLN A 126 22.396 23.215 12.808 0.50 0.00 H ATOM 2059 HG2BGLN A 126 23.127 23.347 14.541 0.50 0.00 H ATOM 2060 HE22AGLN A 126 22.801 25.675 9.485 0.50 0.00 H ATOM 2061 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 2062 HE21AGLN A 126 22.400 26.390 11.033 0.50 0.00 H ATOM 2063 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 2064 N GLY A 127 21.379 28.161 13.847 1.00 25.06 N ATOM 2065 CA GLY A 127 20.493 29.193 13.313 1.00 25.33 C ATOM 2066 C GLY A 127 19.320 29.600 14.219 1.00 23.89 C ATOM 2067 O GLY A 127 18.467 30.362 13.767 1.00 25.63 O ATOM 2068 H GLY A 127 22.276 28.469 14.194 1.00 0.00 H ATOM 2069 HA3 GLY A 127 20.097 28.870 12.348 1.00 0.00 H ATOM 2070 HA2 GLY A 127 21.093 30.082 13.116 1.00 0.00 H ATOM 2071 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 2072 CA CYS A 128 18.122 29.323 16.376 1.00 20.37 C ATOM 2073 C CYS A 128 18.290 30.542 17.302 1.00 21.95 C ATOM 2074 O CYS A 128 17.338 30.892 18.002 1.00 24.45 O ATOM 2075 CB CYS A 128 17.940 28.070 17.253 1.00 18.95 C ATOM 2076 SG CYS A 128 17.562 26.536 16.360 1.00 17.57 S ATOM 2077 H CYS A 128 19.979 28.471 15.774 1.00 0.00 H ATOM 2078 HA CYS A 128 17.210 29.496 15.805 1.00 0.00 H ATOM 2079 HB3 CYS A 128 17.124 28.226 17.961 1.00 0.00 H ATOM 2080 HB2 CYS A 128 18.828 27.890 17.854 1.00 0.00 H ATOM 2081 N GLY A 129 19.461 31.203 17.294 1.00 27.29 N ATOM 2082 CA GLY A 129 19.742 32.406 18.080 1.00 29.29 C ATOM 2083 C GLY A 129 20.015 32.139 19.567 1.00 28.62 C ATOM 2084 O GLY A 129 19.757 33.010 20.397 1.00 38.50 O ATOM 2085 H GLY A 129 20.192 30.868 16.683 1.00 0.00 H ATOM 2086 HA3 GLY A 129 18.918 33.115 17.983 1.00 0.00 H ATOM 2087 HA2 GLY A 129 20.620 32.894 17.656 1.00 0.00 H ATOM 2088 N VAL A 130 20.501 30.932 19.894 1.00 24.90 N ATOM 2089 CA VAL A 130 20.800 30.448 21.242 1.00 25.27 C ATOM 2090 C VAL A 130 22.317 30.271 21.438 1.00 33.46 C ATOM 2091 O VAL A 130 22.702 30.029 22.602 1.00 31.44 O ATOM 2092 CB VAL A 130 20.039 29.117 21.484 1.00 25.35 C ATOM 2093 CG1 VAL A 130 18.516 29.329 21.470 1.00 27.59 C ATOM 2094 CG2 VAL A 130 20.444 27.982 20.520 1.00 26.59 C ATOM 2095 OXT VAL A 130 23.068 30.369 20.442 1.00 47.97 O1- ATOM 2096 H VAL A 130 20.713 30.295 19.140 1.00 0.00 H ATOM 2097 HA VAL A 130 20.471 31.174 21.987 1.00 0.00 H ATOM 2098 HB VAL A 130 20.287 28.781 22.491 1.00 0.00 H ATOM 2099 HG11 VAL A 130 18.001 28.409 21.735 1.00 0.00 H ATOM 2100 HG12 VAL A 130 18.216 30.091 22.189 1.00 0.00 H ATOM 2101 HG13 VAL A 130 18.155 29.633 20.487 1.00 0.00 H ATOM 2102 HG21 VAL A 130 19.836 27.092 20.675 1.00 0.00 H ATOM 2103 HG22 VAL A 130 20.331 28.276 19.478 1.00 0.00 H ATOM 2104 HG23 VAL A 130 21.484 27.687 20.663 1.00 0.00 H CONECT 105 2076 CONECT 521 1852 CONECT 1090 1297 CONECT 1240 1491 CONECT 1297 1090 CONECT 1491 1240 CONECT 1852 521 CONECT 2076 105 ENDMDL END If you find results from this site helpful for your 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