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*** 1JSF_Native ***elNémo ID: 2503181039303214576Job options:ID = 2503181039303214576 JOBID = 1JSF_Native 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 1JSF_Native 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 19.710 22.060 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.945 20.613 21.172 1.00 18.25 C ATOM 3 C LYS A 1 3.148 19.881 20.574 1.00 16.14 C ATOM 4 O LYS A 1 3.920 19.274 21.313 1.00 16.16 O ATOM 5 CB LYS A 1 2.395 21.865 21.957 1.00 24.42 C ATOM 6 CG LYS A 1 3.281 22.858 21.183 1.00 26.69 C ATOM 7 CD LYS A 1 3.599 24.112 22.006 1.00 23.93 C ATOM 8 CE LYS A 1 4.494 25.085 21.231 1.00 26.10 C ATOM 9 NZ LYS A 1 4.812 26.278 22.029 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.471 20.230 22.550 1.00 0.00 H ATOM 11 H2 LYS A 1 0.779 18.962 21.524 1.00 0.00 H ATOM 12 H3 LYS A 1 1.828 19.322 22.746 1.00 0.00 H ATOM 13 HA LYS A 1 1.274 20.921 20.368 1.00 0.00 H ATOM 14 HB3 LYS A 1 2.916 21.562 22.867 1.00 0.00 H ATOM 15 HB2 LYS A 1 1.504 22.401 22.279 1.00 0.00 H ATOM 16 HG3 LYS A 1 2.787 23.143 20.254 1.00 0.00 H ATOM 17 HG2 LYS A 1 4.223 22.385 20.903 1.00 0.00 H ATOM 18 HD3 LYS A 1 4.090 23.822 22.936 1.00 0.00 H ATOM 19 HD2 LYS A 1 2.670 24.610 22.286 1.00 0.00 H ATOM 20 HE3 LYS A 1 4.002 25.403 20.311 1.00 0.00 H ATOM 21 HE2 LYS A 1 5.426 24.601 20.940 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.372 26.895 21.447 1.00 0.00 H ATOM 23 HZ2 LYS A 1 3.961 26.751 22.298 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.337 26.013 22.849 1.00 0.00 H ATOM 25 N VAL A 2 3.341 20.013 19.253 1.00 15.22 N ATOM 26 CA VAL A 2 4.591 19.693 18.569 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 4.793 21.909 17.657 1.00 17.31 O ATOM 29 CB VAL A 2 4.304 19.011 17.203 1.00 18.09 C ATOM 30 CG1 VAL A 2 5.603 18.673 16.440 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 18.716 1.00 0.00 H ATOM 33 HA VAL A 2 5.218 19.034 19.168 1.00 0.00 H ATOM 34 HB VAL A 2 3.721 19.691 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 19.567 16.181 1.00 0.00 H ATOM 37 HG13 VAL A 2 6.254 18.029 17.033 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 18.003 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 6.473 21.197 18.995 1.00 13.22 N ATOM 42 CA PHE A 3 7.315 22.379 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 8.368 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 7.159 22.120 22.196 1.00 14.74 C ATOM 48 CD2 PHE A 3 8.284 24.235 21.735 1.00 14.77 C ATOM 49 CE1 PHE A 3 6.788 22.603 23.465 1.00 16.85 C ATOM 50 CE2 PHE A 3 7.915 24.714 23.006 1.00 16.48 C ATOM 51 CZ PHE A 3 7.167 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 6.873 21.122 21.897 1.00 0.00 H ATOM 57 HD2 PHE A 3 8.865 24.863 21.077 1.00 0.00 H ATOM 58 HE1 PHE A 3 6.212 21.985 24.132 1.00 0.00 H ATOM 59 HE2 PHE A 3 8.210 25.706 23.314 1.00 0.00 H ATOM 60 HZ PHE A 3 6.883 24.257 24.851 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 9.381 23.696 15.942 1.00 16.55 C ATOM 63 C GLU A 4 10.757 23.702 16.637 1.00 14.12 C ATOM 64 O GLU A 4 10.859 24.060 17.812 1.00 14.27 O ATOM 65 CB GLU A 4 9.120 25.055 15.263 1.00 21.19 C ATOM 66 CG GLU A 4 7.794 25.069 14.475 1.00 34.01 C ATOM 67 CD GLU A 4 7.492 26.435 13.861 1.00 39.62 C ATOM 68 OE1 GLU A 4 8.290 26.861 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 7.961 24.320 17.386 1.00 0.00 H ATOM 71 HA GLU A 4 9.344 22.895 15.201 1.00 0.00 H ATOM 72 HB3 GLU A 4 9.941 25.285 14.581 1.00 0.00 H ATOM 73 HB2 GLU A 4 9.112 25.851 16.009 1.00 0.00 H ATOM 74 HG3 GLU A 4 6.961 24.791 15.121 1.00 0.00 H ATOM 75 HG2 GLU A 4 7.825 24.329 13.675 1.00 0.00 H ATOM 76 N ARG A 5 11.807 23.262 15.924 1.00 13.42 N ATOM 77 CA ARG A 5 13.170 23.057 16.428 1.00 13.70 C ATOM 78 C ARG A 5 13.742 24.248 17.219 1.00 11.54 C ATOM 79 O ARG A 5 14.138 24.092 18.373 1.00 12.11 O ATOM 80 CB ARG A 5 14.077 22.626 15.256 1.00 14.12 C ATOM 81 CG ARG A 5 15.556 22.386 15.623 1.00 16.72 C ATOM 82 CD ARG A 5 16.398 21.927 14.426 1.00 19.34 C ATOM 83 NE ARG A 5 16.577 23.011 13.449 1.00 20.28 N ATOM 84 CZ ARG A 5 17.560 23.928 13.452 1.00 21.61 C ATOM 85 NH1 ARG A 5 18.507 23.940 14.399 1.00 24.48 N ATOM 86 NH2 ARG A 5 17.596 24.861 12.494 1.00 23.88 N1+ ATOM 87 H ARG A 5 11.632 22.982 14.969 1.00 0.00 H ATOM 88 HA ARG A 5 13.114 22.218 17.124 1.00 0.00 H ATOM 89 HB3 ARG A 5 14.025 23.383 14.472 1.00 0.00 H ATOM 90 HB2 ARG A 5 13.672 21.713 14.818 1.00 0.00 H ATOM 91 HG3 ARG A 5 15.615 21.634 16.410 1.00 0.00 H ATOM 92 HG2 ARG A 5 16.006 23.290 16.037 1.00 0.00 H ATOM 93 HD3 ARG A 5 15.921 21.080 13.932 1.00 0.00 H ATOM 94 HD2 ARG A 5 17.373 21.575 14.759 1.00 0.00 H ATOM 95 HE ARG A 5 15.876 23.068 12.724 1.00 0.00 H ATOM 96 HH12 ARG A 5 19.222 24.656 14.385 1.00 0.00 H ATOM 97 HH11 ARG A 5 18.491 23.262 15.147 1.00 0.00 H ATOM 98 HH22 ARG A 5 18.324 25.564 12.510 1.00 0.00 H ATOM 99 HH21 ARG A 5 16.898 24.885 11.765 1.00 0.00 H ATOM 100 N CYS A 6 13.752 25.440 16.609 1.00 12.58 N ATOM 101 CA CYS A 6 14.327 26.641 17.209 1.00 12.42 C ATOM 102 C CYS A 6 13.387 27.350 18.194 1.00 11.86 C ATOM 103 O CYS A 6 13.869 28.123 19.021 1.00 13.27 O ATOM 104 CB CYS A 6 14.715 27.612 16.087 1.00 13.64 C ATOM 105 SG CYS A 6 16.082 27.039 15.042 1.00 16.20 S ATOM 106 H CYS A 6 13.395 25.508 15.667 1.00 0.00 H ATOM 107 HA CYS A 6 15.215 26.368 17.777 1.00 0.00 H ATOM 108 HB3 CYS A 6 15.031 28.564 16.514 1.00 0.00 H ATOM 109 HB2 CYS A 6 13.857 27.831 15.450 1.00 0.00 H ATOM 110 N GLU A 7 12.077 27.047 18.164 1.00 12.12 N ATOM 111 CA GLU A 7 11.114 27.459 19.184 1.00 12.07 C ATOM 112 C GLU A 7 11.404 26.732 20.509 1.00 11.12 C ATOM 113 O GLU A 7 11.436 27.381 21.554 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 27.543 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 18.614 1.00 21.23 O ATOM 118 OE2 GLU A 7 6.203 27.480 19.883 1.00 26.51 O1- ATOM 119 H GLU A 7 11.756 26.384 17.472 1.00 0.00 H ATOM 120 HA GLU A 7 11.209 28.534 19.347 1.00 0.00 H ATOM 121 HB3 GLU A 7 9.614 26.093 18.470 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 28.629 19.715 1.00 0.00 H ATOM 124 HG2 GLU A 7 8.782 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 24.586 21.607 1.00 10.90 C ATOM 127 C LEU A 8 13.402 24.966 22.170 1.00 10.67 C ATOM 128 O LEU A 8 13.545 25.021 23.387 1.00 11.45 O ATOM 129 CB LEU A 8 12.015 23.091 21.216 1.00 11.53 C ATOM 130 CG LEU A 8 12.276 22.100 22.376 1.00 11.62 C ATOM 131 CD1 LEU A 8 11.241 22.217 23.506 1.00 14.29 C ATOM 132 CD2 LEU A 8 12.332 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 24.763 22.373 1.00 0.00 H ATOM 135 HB3 LEU A 8 12.749 22.920 20.427 1.00 0.00 H ATOM 136 HB2 LEU A 8 11.054 22.847 20.772 1.00 0.00 H ATOM 137 HG LEU A 8 13.254 22.307 22.807 1.00 0.00 H ATOM 138 HD11 LEU A 8 11.426 21.475 24.283 1.00 0.00 H ATOM 139 HD12 LEU A 8 11.277 23.193 23.989 1.00 0.00 H ATOM 140 HD13 LEU A 8 10.227 22.064 23.134 1.00 0.00 H ATOM 141 HD21 LEU A 8 12.523 19.956 22.665 1.00 0.00 H ATOM 142 HD22 LEU A 8 11.394 20.379 21.378 1.00 0.00 H ATOM 143 HD23 LEU A 8 13.129 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 21.702 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 20.447 1.00 13.31 C ATOM 149 H ALA A 9 14.201 25.178 20.318 1.00 0.00 H ATOM 150 HA ALA A 9 16.164 24.852 22.305 1.00 0.00 H ATOM 151 HB1 ALA A 9 17.654 26.019 20.714 1.00 0.00 H ATOM 152 HB2 ALA A 9 16.601 24.924 19.834 1.00 0.00 H ATOM 153 HB3 ALA A 9 16.275 26.657 19.829 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 13.940 29.024 24.170 1.00 11.30 C ATOM 157 O ARG A 10 14.199 29.714 25.154 1.00 13.37 O ATOM 158 CB ARG A 10 14.115 30.261 22.011 1.00 15.41 C ATOM 159 CG ARG A 10 15.022 30.785 20.884 1.00 17.40 C ATOM 160 CD ARG A 10 14.393 31.950 20.108 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 13.125 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 30.803 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 13.817 31.114 22.623 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.194 29.853 21.591 1.00 0.00 H ATOM 169 HG3 ARG A 10 15.288 29.980 20.199 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 19.418 1.00 0.00 H ATOM 172 HD2 ARG A 10 14.119 32.750 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 30.830 16.354 1.00 0.00 H ATOM 175 HH11 ARG A 10 15.128 31.312 17.721 1.00 0.00 H ATOM 176 HH22 ARG A 10 11.870 30.518 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 12.957 28.103 24.175 1.00 11.61 N ATOM 179 CA THR A 11 12.100 27.821 25.334 1.00 11.60 C ATOM 180 C THR A 11 12.906 27.118 26.442 1.00 11.46 C ATOM 181 O THR A 11 12.796 27.509 27.602 1.00 12.79 O ATOM 182 CB THR A 11 10.887 26.950 24.909 1.00 13.51 C ATOM 183 OG1 THR A 11 10.081 27.692 24.017 1.00 15.51 O ATOM 184 CG2 THR A 11 9.955 26.548 26.068 1.00 15.20 C ATOM 185 H THR A 11 12.805 27.557 23.338 1.00 0.00 H ATOM 186 HA THR A 11 11.734 28.766 25.738 1.00 0.00 H ATOM 187 HB THR A 11 11.224 26.047 24.400 1.00 0.00 H ATOM 188 HG1 THR A 11 10.545 27.772 23.193 1.00 0.00 H ATOM 189 HG21 THR A 11 9.096 25.983 25.704 1.00 0.00 H ATOM 190 HG22 THR A 11 10.459 25.919 26.800 1.00 0.00 H ATOM 191 HG23 THR A 11 9.576 27.425 26.595 1.00 0.00 H ATOM 192 N LEU A 12 13.747 26.132 26.084 1.00 10.78 N ATOM 193 CA LEU A 12 14.637 25.420 27.001 1.00 11.18 C ATOM 194 C LEU A 12 15.749 26.331 27.551 1.00 11.18 C ATOM 195 O LEU A 12 16.106 26.188 28.720 1.00 12.56 O ATOM 196 CB LEU A 12 15.274 24.214 26.276 1.00 12.02 C ATOM 197 CG LEU A 12 14.321 23.057 25.903 1.00 12.75 C ATOM 198 CD1 LEU A 12 15.068 22.009 25.061 1.00 17.07 C ATOM 199 CD2 LEU A 12 13.666 22.395 27.121 1.00 16.49 C ATOM 200 H LEU A 12 13.783 25.863 25.108 1.00 0.00 H ATOM 201 HA LEU A 12 14.055 25.075 27.856 1.00 0.00 H ATOM 202 HB3 LEU A 12 16.086 23.804 26.879 1.00 0.00 H ATOM 203 HB2 LEU A 12 15.736 24.581 25.361 1.00 0.00 H ATOM 204 HG LEU A 12 13.511 23.451 25.294 1.00 0.00 H ATOM 205 HD11 LEU A 12 14.403 21.203 24.749 1.00 0.00 H ATOM 206 HD12 LEU A 12 15.486 22.458 24.160 1.00 0.00 H ATOM 207 HD13 LEU A 12 15.891 21.563 25.620 1.00 0.00 H ATOM 208 HD21 LEU A 12 12.999 21.593 26.807 1.00 0.00 H ATOM 209 HD22 LEU A 12 14.412 21.968 27.789 1.00 0.00 H ATOM 210 HD23 LEU A 12 13.061 23.100 27.689 1.00 0.00 H ATOM 211 N LYS A 13 16.257 27.291 26.753 1.00 11.39 N ATOM 212 CA LYS A 13 17.254 28.271 27.189 1.00 11.97 C ATOM 213 C LYS A 13 16.678 29.286 28.199 1.00 12.47 C ATOM 214 O LYS A 13 17.371 29.613 29.163 1.00 13.70 O ATOM 215 CB LYS A 13 17.859 28.997 25.966 1.00 16.60 C ATOM 216 CG LYS A 13 18.981 29.986 26.348 1.00 22.62 C ATOM 217 CD LYS A 13 20.163 30.015 25.372 1.00 30.87 C ATOM 218 CE LYS A 13 21.269 30.973 25.845 1.00 37.86 C ATOM 219 NZ LYS A 13 22.582 30.603 25.293 1.00 58.06 N1+ ATOM 220 H LYS A 13 15.928 27.350 25.799 1.00 0.00 H ATOM 221 HA LYS A 13 18.058 27.723 27.685 1.00 0.00 H ATOM 222 HB3 LYS A 13 17.086 29.515 25.396 1.00 0.00 H ATOM 223 HB2 LYS A 13 18.261 28.240 25.294 1.00 0.00 H ATOM 224 HG3 LYS A 13 19.387 29.708 27.322 1.00 0.00 H ATOM 225 HG2 LYS A 13 18.565 30.987 26.471 1.00 0.00 H ATOM 226 HD3 LYS A 13 19.830 30.291 24.371 1.00 0.00 H ATOM 227 HD2 LYS A 13 20.569 29.005 25.297 1.00 0.00 H ATOM 228 HE3 LYS A 13 21.360 30.952 26.932 1.00 0.00 H ATOM 229 HE2 LYS A 13 21.028 31.999 25.564 1.00 0.00 H ATOM 230 HZ1 LYS A 13 23.277 31.286 25.556 1.00 0.00 H ATOM 231 HZ2 LYS A 13 22.854 29.696 25.661 1.00 0.00 H ATOM 232 HZ3 LYS A 13 22.540 30.533 24.279 1.00 0.00 H ATOM 233 N ARG A 14 15.417 29.730 28.031 1.00 12.34 N ATOM 234 CA ARG A 14 14.722 30.597 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 ARG A 14 13.391 31.110 28.409 1.00 15.74 C ATOM 238 CG ARG A 14 13.547 32.232 27.372 1.00 21.21 C ATOM 239 CD ARG A 14 12.220 32.943 27.061 1.00 28.16 C ATOM 240 NE ARG A 14 11.170 31.995 26.657 1.00 30.61 N ATOM 241 CZ ARG A 14 10.859 31.635 25.401 1.00 30.91 C ATOM 242 NH1 ARG A 14 11.523 32.129 24.346 1.00 32.12 N ATOM 243 NH2 ARG A 14 9.869 30.757 25.201 1.00 31.46 N1+ ATOM 244 H ARG A 14 14.901 29.427 27.216 1.00 0.00 H ATOM 245 HA ARG A 14 15.363 31.448 29.233 1.00 0.00 H ATOM 246 HB3 ARG A 14 12.772 31.503 29.218 1.00 0.00 H ATOM 247 HB2 ARG A 14 12.828 30.279 27.982 1.00 0.00 H ATOM 248 HG3 ARG A 14 13.997 31.855 26.456 1.00 0.00 H ATOM 249 HG2 ARG A 14 14.245 32.977 27.757 1.00 0.00 H ATOM 250 HD3 ARG A 14 12.361 33.711 26.301 1.00 0.00 H ATOM 251 HD2 ARG A 14 11.871 33.463 27.954 1.00 0.00 H ATOM 252 HE ARG A 14 10.656 31.571 27.416 1.00 0.00 H ATOM 253 HH12 ARG A 14 11.272 31.857 23.408 1.00 0.00 H ATOM 254 HH11 ARG A 14 12.277 32.785 24.491 1.00 0.00 H ATOM 255 HH22 ARG A 14 9.634 30.447 24.269 1.00 0.00 H ATOM 256 HH21 ARG A 14 9.360 30.374 25.985 1.00 0.00 H ATOM 257 N LEU A 15 14.149 28.552 30.255 1.00 11.41 N ATOM 258 CA LEU A 15 13.910 27.702 31.420 1.00 11.71 C ATOM 259 C LEU A 15 15.227 27.164 32.027 1.00 12.33 C ATOM 260 O LEU A 15 15.174 26.344 32.942 1.00 15.00 O ATOM 261 CB LEU A 15 12.990 26.529 31.008 1.00 13.70 C ATOM 262 CG LEU A 15 11.555 26.940 30.599 1.00 15.21 C ATOM 263 CD1 LEU A 15 10.825 25.777 29.911 1.00 16.24 C ATOM 264 CD2 LEU A 15 10.728 27.443 31.795 1.00 20.49 C ATOM 265 H LEU A 15 14.145 28.105 29.348 1.00 0.00 H ATOM 266 HA LEU A 15 13.422 28.279 32.206 1.00 0.00 H ATOM 267 HB3 LEU A 15 12.895 25.837 31.842 1.00 0.00 H ATOM 268 HB2 LEU A 15 13.462 25.973 30.196 1.00 0.00 H ATOM 269 HG LEU A 15 11.612 27.754 29.877 1.00 0.00 H ATOM 270 HD11 LEU A 15 9.846 26.087 29.547 1.00 0.00 H ATOM 271 HD12 LEU A 15 11.389 25.406 29.055 1.00 0.00 H ATOM 272 HD13 LEU A 15 10.672 24.945 30.599 1.00 0.00 H ATOM 273 HD21 LEU A 15 9.712 27.693 31.488 1.00 0.00 H ATOM 274 HD22 LEU A 15 10.659 26.686 32.576 1.00 0.00 H ATOM 275 HD23 LEU A 15 11.159 28.342 32.235 1.00 0.00 H ATOM 276 N GLY A 16 16.397 27.659 31.583 1.00 12.66 N ATOM 277 CA GLY A 16 17.693 27.491 32.241 1.00 13.48 C ATOM 278 C GLY A 16 18.379 26.136 32.032 1.00 12.84 C ATOM 279 O GLY A 16 19.131 25.711 32.908 1.00 15.76 O ATOM 280 H GLY A 16 16.363 28.320 30.820 1.00 0.00 H ATOM 281 HA3 GLY A 16 17.584 27.679 33.310 1.00 0.00 H ATOM 282 HA2 GLY A 16 18.360 28.265 31.862 1.00 0.00 H ATOM 283 N MET A 17 18.108 25.449 30.910 1.00 11.57 N ATOM 284 CA MET A 17 18.641 24.115 30.619 1.00 11.60 C ATOM 285 C MET A 17 20.040 24.139 29.983 1.00 11.86 C ATOM 286 O MET A 17 20.747 23.137 30.093 1.00 14.20 O ATOM 287 CB MET A 17 17.688 23.399 29.641 1.00 13.14 C ATOM 288 CG MET A 17 16.395 22.944 30.327 1.00 14.11 C ATOM 289 SD MET A 17 16.645 21.527 31.435 1.00 18.03 S ATOM 290 CE MET A 17 15.828 20.227 30.477 1.00 24.42 C ATOM 291 H MET A 17 17.464 25.851 30.241 1.00 0.00 H ATOM 292 HA MET A 17 18.712 23.537 31.542 1.00 0.00 H ATOM 293 HB3 MET A 17 18.163 22.518 29.207 1.00 0.00 H ATOM 294 HB2 MET A 17 17.464 24.048 28.797 1.00 0.00 H ATOM 295 HG3 MET A 17 15.653 22.679 29.577 1.00 0.00 H ATOM 296 HG2 MET A 17 15.959 23.763 30.900 1.00 0.00 H ATOM 297 HE1 MET A 17 15.950 19.266 30.974 1.00 0.00 H ATOM 298 HE2 MET A 17 14.762 20.429 30.387 1.00 0.00 H ATOM 299 HE3 MET A 17 16.255 20.162 29.476 1.00 0.00 H ATOM 300 N ASP A 18 20.461 25.248 29.346 1.00 12.93 N ATOM 301 CA ASP A 18 21.768 25.363 28.694 1.00 14.41 C ATOM 302 C ASP A 18 22.891 25.402 29.749 1.00 14.70 C ATOM 303 O ASP A 18 22.996 26.355 30.521 1.00 17.65 O ATOM 304 CB ASP A 18 21.790 26.627 27.797 1.00 16.44 C ATOM 305 CG ASP A 18 23.037 26.756 26.905 1.00 19.56 C ATOM 306 OD1 ASP A 18 23.642 25.707 26.586 1.00 20.72 O ATOM 307 OD2 ASP A 18 23.337 27.911 26.526 1.00 29.13 O1- ATOM 308 H ASP A 18 19.849 26.049 29.313 1.00 0.00 H ATOM 309 HA ASP A 18 21.895 24.482 28.060 1.00 0.00 H ATOM 310 HB3 ASP A 18 21.700 27.526 28.408 1.00 0.00 H ATOM 311 HB2 ASP A 18 20.921 26.625 27.139 1.00 0.00 H ATOM 312 N GLY A 19 23.697 24.331 29.786 1.00 12.95 N ATOM 313 CA GLY A 19 24.773 24.117 30.745 1.00 15.05 C ATOM 314 C GLY A 19 24.325 23.552 32.101 1.00 12.69 C ATOM 315 O GLY A 19 25.160 23.475 33.002 1.00 15.26 O ATOM 316 H GLY A 19 23.516 23.579 29.135 1.00 0.00 H ATOM 317 HA3 GLY A 19 25.322 25.046 30.907 1.00 0.00 H ATOM 318 HA2 GLY A 19 25.480 23.413 30.304 1.00 0.00 H ATOM 319 N TYR A 20 23.045 23.156 32.268 1.00 13.11 N ATOM 320 CA TYR A 20 22.515 22.597 33.516 1.00 11.95 C ATOM 321 C TYR A 20 23.117 21.206 33.752 1.00 11.72 C ATOM 322 O TYR A 20 22.906 20.300 32.947 1.00 12.45 O ATOM 323 CB TYR A 20 20.974 22.488 33.461 1.00 12.49 C ATOM 324 CG TYR A 20 20.371 22.107 34.807 1.00 12.45 C ATOM 325 CD1 TYR A 20 20.058 23.118 35.738 1.00 15.37 C ATOM 326 CD2 TYR A 20 20.201 20.752 35.166 1.00 12.41 C ATOM 327 CE1 TYR A 20 19.610 22.779 37.028 1.00 16.89 C ATOM 328 CE2 TYR A 20 19.763 20.412 36.462 1.00 13.65 C ATOM 329 CZ TYR A 20 19.476 21.426 37.395 1.00 15.67 C ATOM 330 OH TYR A 20 19.074 21.103 38.658 1.00 20.08 O ATOM 331 H TYR A 20 22.413 23.231 31.481 1.00 0.00 H ATOM 332 HA TYR A 20 22.789 23.267 34.333 1.00 0.00 H ATOM 333 HB3 TYR A 20 20.651 21.774 32.701 1.00 0.00 H ATOM 334 HB2 TYR A 20 20.556 23.448 33.160 1.00 0.00 H ATOM 335 HD1 TYR A 20 20.188 24.158 35.473 1.00 0.00 H ATOM 336 HD2 TYR A 20 20.441 19.969 34.462 1.00 0.00 H ATOM 337 HE1 TYR A 20 19.389 23.562 37.739 1.00 0.00 H ATOM 338 HE2 TYR A 20 19.659 19.374 36.740 1.00 0.00 H ATOM 339 HH TYR A 20 19.001 21.864 39.215 1.00 0.00 H ATOM 340 N ARG A 21 23.899 21.069 34.839 1.00 13.06 N ATOM 341 CA ARG A 21 24.642 19.861 35.223 1.00 14.28 C ATOM 342 C ARG A 21 25.746 19.505 34.201 1.00 13.33 C ATOM 343 O ARG A 21 26.129 18.342 34.072 1.00 14.35 O ATOM 344 CB ARG A 21 23.681 18.692 35.574 1.00 16.78 C ATOM 345 CG ARG A 21 23.015 18.849 36.957 1.00 25.30 C ATOM 346 CD ARG A 21 23.882 18.300 38.102 1.00 33.61 C ATOM 347 NE ARG A 21 23.987 16.839 37.994 1.00 56.79 N ATOM 348 CZ ARG A 21 24.916 16.031 38.526 1.00 61.31 C ATOM 349 NH1 ARG A 21 25.901 16.509 39.296 1.00 60.56 N ATOM 350 NH2 ARG A 21 24.845 14.717 38.277 1.00 45.90 N1+ ATOM 351 H ARG A 21 24.022 21.880 35.429 1.00 0.00 H ATOM 352 HA ARG A 21 25.191 20.123 36.127 1.00 0.00 H ATOM 353 HB3 ARG A 21 24.200 17.735 35.539 1.00 0.00 H ATOM 354 HB2 ARG A 21 22.901 18.598 34.821 1.00 0.00 H ATOM 355 HG3 ARG A 21 22.068 18.310 36.961 1.00 0.00 H ATOM 356 HG2 ARG A 21 22.757 19.892 37.143 1.00 0.00 H ATOM 357 HD3 ARG A 21 23.435 18.544 39.066 1.00 0.00 H ATOM 358 HD2 ARG A 21 24.874 18.751 38.081 1.00 0.00 H ATOM 359 HE ARG A 21 23.252 16.389 37.459 1.00 0.00 H ATOM 360 HH12 ARG A 21 26.593 15.889 39.692 1.00 0.00 H ATOM 361 HH11 ARG A 21 25.956 17.498 39.488 1.00 0.00 H ATOM 362 HH22 ARG A 21 25.528 14.081 38.659 1.00 0.00 H ATOM 363 HH21 ARG A 21 24.082 14.346 37.724 1.00 0.00 H ATOM 364 N GLY A 22 26.243 20.515 33.464 1.00 12.43 N ATOM 365 CA GLY A 22 27.242 20.401 32.406 1.00 12.76 C ATOM 366 C GLY A 22 26.684 19.990 31.035 1.00 11.21 C ATOM 367 O GLY A 22 27.470 19.807 30.107 1.00 12.81 O ATOM 368 H GLY A 22 25.868 21.441 33.627 1.00 0.00 H ATOM 369 HA3 GLY A 22 28.019 19.694 32.700 1.00 0.00 H ATOM 370 HA2 GLY A 22 27.730 21.369 32.298 1.00 0.00 H ATOM 371 N ILE A 23 25.355 19.829 30.897 1.00 11.07 N ATOM 372 CA ILE A 23 24.695 19.370 29.675 1.00 11.77 C ATOM 373 C ILE A 23 24.320 20.615 28.857 1.00 10.74 C ATOM 374 O ILE A 23 23.502 21.426 29.292 1.00 12.48 O ATOM 375 CB ILE A 23 23.405 18.575 30.040 1.00 10.86 C ATOM 376 CG1 ILE A 23 23.696 17.380 30.980 1.00 12.80 C ATOM 377 CG2 ILE A 23 22.668 18.067 28.780 1.00 13.41 C ATOM 378 CD1 ILE A 23 22.461 16.900 31.750 1.00 14.46 C ATOM 379 H ILE A 23 24.765 20.003 31.699 1.00 0.00 H ATOM 380 HA ILE A 23 25.360 18.723 29.098 1.00 0.00 H ATOM 381 HB ILE A 23 22.728 19.248 30.567 1.00 0.00 H ATOM 382 HG13 ILE A 23 24.447 17.634 31.727 1.00 0.00 H ATOM 383 HG12 ILE A 23 24.121 16.554 30.409 1.00 0.00 H ATOM 384 HG21 ILE A 23 21.744 17.556 29.042 1.00 0.00 H ATOM 385 HG22 ILE A 23 22.381 18.874 28.109 1.00 0.00 H ATOM 386 HG23 ILE A 23 23.284 17.370 28.213 1.00 0.00 H ATOM 387 HD11 ILE A 23 22.702 16.025 32.352 1.00 0.00 H ATOM 388 HD12 ILE A 23 22.096 17.677 32.421 1.00 0.00 H ATOM 389 HD13 ILE A 23 21.645 16.630 31.082 1.00 0.00 H ATOM 390 N SER A 24 24.903 20.734 27.654 1.00 11.50 N ATOM 391 CA SER A 24 24.613 21.784 26.679 1.00 11.97 C ATOM 392 C SER A 24 23.193 21.646 26.104 1.00 11.84 C ATOM 393 O SER A 24 22.622 20.554 26.077 1.00 11.40 O ATOM 394 CB SER A 24 25.672 21.722 25.553 1.00 12.92 C ATOM 395 OG SER A 24 25.511 20.611 24.689 1.00 13.62 O ATOM 396 H SER A 24 25.562 20.022 27.372 1.00 0.00 H ATOM 397 HA SER A 24 24.698 22.748 27.187 1.00 0.00 H ATOM 398 HB3 SER A 24 26.678 21.705 25.974 1.00 0.00 H ATOM 399 HB2 SER A 24 25.609 22.626 24.945 1.00 0.00 H ATOM 400 HG SER A 24 26.164 20.668 24.007 1.00 0.00 H ATOM 401 N LEU A 25 22.645 22.767 25.613 1.00 12.17 N ATOM 402 CA LEU A 25 21.343 22.863 24.953 1.00 12.23 C ATOM 403 C LEU A 25 21.202 21.941 23.725 1.00 12.01 C ATOM 404 O LEU A 25 20.112 21.436 23.471 1.00 12.74 O ATOM 405 CB LEU A 25 21.118 24.343 24.592 1.00 14.96 C ATOM 406 CG LEU A 25 19.774 24.696 23.929 1.00 13.26 C ATOM 407 CD1 LEU A 25 18.571 24.390 24.832 1.00 18.00 C ATOM 408 CD2 LEU A 25 19.782 26.170 23.521 1.00 15.14 C ATOM 409 H LEU A 25 23.168 23.630 25.706 1.00 0.00 H ATOM 410 HA LEU A 25 20.591 22.563 25.683 1.00 0.00 H ATOM 411 HB3 LEU A 25 21.931 24.670 23.941 1.00 0.00 H ATOM 412 HB2 LEU A 25 21.211 24.936 25.500 1.00 0.00 H ATOM 413 HG LEU A 25 19.659 24.117 23.013 1.00 0.00 H ATOM 414 HD11 LEU A 25 17.652 24.659 24.316 1.00 0.00 H ATOM 415 HD12 LEU A 25 18.501 23.330 25.076 1.00 0.00 H ATOM 416 HD13 LEU A 25 18.612 24.951 25.766 1.00 0.00 H ATOM 417 HD21 LEU A 25 18.885 26.432 22.963 1.00 0.00 H ATOM 418 HD22 LEU A 25 19.845 26.822 24.392 1.00 0.00 H ATOM 419 HD23 LEU A 25 20.639 26.389 22.885 1.00 0.00 H ATOM 420 N ALA A 26 22.308 21.680 23.009 1.00 11.62 N ATOM 421 CA ALA A 26 22.391 20.792 21.851 1.00 12.16 C ATOM 422 C ALA A 26 22.150 19.310 22.195 1.00 12.03 C ATOM 423 O ALA A 26 21.561 18.595 21.386 1.00 12.52 O ATOM 424 CB ALA A 26 23.790 20.957 21.244 1.00 14.36 C ATOM 425 H ALA A 26 23.166 22.120 23.307 1.00 0.00 H ATOM 426 HA ALA A 26 21.646 21.098 21.117 1.00 0.00 H ATOM 427 HB1 ALA A 26 23.908 20.347 20.354 1.00 0.00 H ATOM 428 HB2 ALA A 26 23.975 21.991 20.955 1.00 0.00 H ATOM 429 HB3 ALA A 26 24.571 20.666 21.947 1.00 0.00 H ATOM 430 N ASN A 27 22.557 18.866 23.399 1.00 11.30 N ATOM 431 CA ASN A 27 22.316 17.515 23.917 1.00 11.72 C ATOM 432 C ASN A 27 20.892 17.338 24.470 1.00 11.31 C ATOM 433 O ASN A 27 20.349 16.239 24.362 1.00 12.02 O ATOM 434 CB ASN A 27 23.325 17.197 25.045 1.00 11.67 C ATOM 435 CG ASN A 27 24.685 16.761 24.496 1.00 12.91 C ATOM 436 OD1 ASN A 27 24.795 15.685 23.913 1.00 15.81 O ATOM 437 ND2 ASN A 27 25.718 17.587 24.664 1.00 15.94 N ATOM 438 H ASN A 27 23.016 19.522 24.017 1.00 0.00 H ATOM 439 HA ASN A 27 22.434 16.792 23.107 1.00 0.00 H ATOM 440 HB3 ASN A 27 22.966 16.374 25.665 1.00 0.00 H ATOM 441 HB2 ASN A 27 23.442 18.047 25.719 1.00 0.00 H ATOM 442 HD22 ASN A 27 26.626 17.325 24.310 1.00 0.00 H ATOM 443 HD21 ASN A 27 25.583 18.486 25.106 1.00 0.00 H ATOM 444 N TRP A 28 20.267 18.406 25.003 1.00 10.26 N ATOM 445 CA TRP A 28 18.861 18.414 25.422 1.00 10.77 C ATOM 446 C TRP A 28 17.906 18.412 24.219 1.00 11.26 C ATOM 447 O TRP A 28 16.846 17.789 24.281 1.00 11.17 O ATOM 448 CB TRP A 28 18.568 19.683 26.246 1.00 10.49 C ATOM 449 CG TRP A 28 19.089 19.690 27.647 1.00 10.02 C ATOM 450 CD1 TRP A 28 19.981 20.570 28.152 1.00 12.17 C ATOM 451 CD2 TRP A 28 18.722 18.812 28.752 1.00 10.69 C ATOM 452 NE1 TRP A 28 20.181 20.307 29.489 1.00 12.53 N ATOM 453 CE2 TRP A 28 19.412 19.250 29.923 1.00 11.35 C ATOM 454 CE3 TRP A 28 17.857 17.701 28.894 1.00 12.47 C ATOM 455 CZ2 TRP A 28 19.232 18.639 31.174 1.00 13.34 C ATOM 456 CZ3 TRP A 28 17.677 17.070 30.141 1.00 14.07 C ATOM 457 CH2 TRP A 28 18.350 17.548 31.282 1.00 14.86 C ATOM 458 H TRP A 28 20.779 19.275 25.072 1.00 0.00 H ATOM 459 HA TRP A 28 18.655 17.527 26.023 1.00 0.00 H ATOM 460 HB3 TRP A 28 17.489 19.821 26.340 1.00 0.00 H ATOM 461 HB2 TRP A 28 18.934 20.569 25.725 1.00 0.00 H ATOM 462 HD1 TRP A 28 20.443 21.371 27.595 1.00 0.00 H ATOM 463 HE1 TRP A 28 20.796 20.873 30.059 1.00 0.00 H ATOM 464 HE3 TRP A 28 17.313 17.342 28.033 1.00 0.00 H ATOM 465 HZ2 TRP A 28 19.758 19.009 32.041 1.00 0.00 H ATOM 466 HZ3 TRP A 28 17.005 16.228 30.225 1.00 0.00 H ATOM 467 HH2 TRP A 28 18.188 17.081 32.240 1.00 0.00 H ATOM 468 N MET A 29 18.298 19.083 23.125 1.00 10.67 N ATOM 469 CA MET A 29 17.560 19.139 21.871 1.00 10.61 C ATOM 470 C MET A 29 17.676 17.820 21.091 1.00 11.13 C ATOM 471 O MET A 29 16.694 17.403 20.481 1.00 11.94 O ATOM 472 CB MET A 29 18.127 20.284 21.009 1.00 11.54 C ATOM 473 CG MET A 29 17.597 21.676 21.387 1.00 12.10 C ATOM 474 SD MET A 29 15.811 21.918 21.200 1.00 14.40 S ATOM 475 CE MET A 29 15.593 21.587 19.435 1.00 17.16 C ATOM 476 H MET A 29 19.168 19.597 23.171 1.00 0.00 H ATOM 477 HA MET A 29 16.501 19.308 22.078 1.00 0.00 H ATOM 478 HB3 MET A 29 17.873 20.113 19.969 1.00 0.00 H ATOM 479 HB2 MET A 29 19.217 20.282 21.044 1.00 0.00 H ATOM 480 HG3 MET A 29 18.093 22.428 20.777 1.00 0.00 H ATOM 481 HG2 MET A 29 17.844 21.906 22.423 1.00 0.00 H ATOM 482 HE1 MET A 29 14.540 21.679 19.171 1.00 0.00 H ATOM 483 HE2 MET A 29 16.173 22.290 18.837 1.00 0.00 H ATOM 484 HE3 MET A 29 15.898 20.574 19.186 1.00 0.00 H ATOM 485 N CYS A 30 18.835 17.137 21.154 1.00 11.31 N ATOM 486 CA CYS A 30 19.033 15.805 20.581 1.00 11.47 C ATOM 487 C CYS A 30 18.188 14.754 21.326 1.00 12.45 C ATOM 488 O CYS A 30 17.548 13.930 20.675 1.00 12.88 O ATOM 489 CB CYS A 30 20.529 15.437 20.622 1.00 12.22 C ATOM 490 SG CYS A 30 20.940 13.902 19.746 1.00 13.65 S ATOM 491 H CYS A 30 19.608 17.548 21.659 1.00 0.00 H ATOM 492 HA CYS A 30 18.713 15.833 19.537 1.00 0.00 H ATOM 493 HB3 CYS A 30 20.895 15.374 21.648 1.00 0.00 H ATOM 494 HB2 CYS A 30 21.105 16.231 20.147 1.00 0.00 H ATOM 495 N LEU A 31 18.132 14.823 22.670 1.00 11.57 N ATOM 496 CA LEU A 31 17.282 13.989 23.523 1.00 12.27 C ATOM 497 C LEU A 31 15.795 14.128 23.153 1.00 11.08 C ATOM 498 O LEU A 31 15.147 13.123 22.873 1.00 12.30 O ATOM 499 CB LEU A 31 17.539 14.326 25.013 1.00 13.03 C ATOM 500 CG LEU A 31 16.634 13.595 26.035 1.00 12.69 C ATOM 501 CD1 LEU A 31 16.906 12.086 26.076 1.00 15.53 C ATOM 502 CD2 LEU A 31 16.765 14.208 27.435 1.00 16.22 C ATOM 503 H LEU A 31 18.691 15.527 23.134 1.00 0.00 H ATOM 504 HA LEU A 31 17.575 12.953 23.345 1.00 0.00 H ATOM 505 HB3 LEU A 31 17.418 15.400 25.154 1.00 0.00 H ATOM 506 HB2 LEU A 31 18.582 14.118 25.250 1.00 0.00 H ATOM 507 HG LEU A 31 15.589 13.730 25.757 1.00 0.00 H ATOM 508 HD11 LEU A 31 16.151 11.586 26.680 1.00 0.00 H ATOM 509 HD12 LEU A 31 16.868 11.631 25.087 1.00 0.00 H ATOM 510 HD13 LEU A 31 17.881 11.874 26.512 1.00 0.00 H ATOM 511 HD21 LEU A 31 16.084 13.728 28.137 1.00 0.00 H ATOM 512 HD22 LEU A 31 17.777 14.105 27.824 1.00 0.00 H ATOM 513 HD23 LEU A 31 16.517 15.269 27.420 1.00 0.00 H ATOM 514 N ALA A 32 15.274 15.367 23.113 1.00 11.51 N ATOM 515 CA ALA A 32 13.874 15.679 22.821 1.00 11.12 C ATOM 516 C ALA A 32 13.430 15.283 21.401 1.00 11.09 C ATOM 517 O ALA A 32 12.266 14.926 21.210 1.00 13.12 O ATOM 518 CB ALA A 32 13.657 17.186 23.020 1.00 12.81 C ATOM 519 H ALA A 32 15.879 16.143 23.345 1.00 0.00 H ATOM 520 HA ALA A 32 13.255 15.136 23.535 1.00 0.00 H ATOM 521 HB1 ALA A 32 12.619 17.463 22.830 1.00 0.00 H ATOM 522 HB2 ALA A 32 13.888 17.482 24.043 1.00 0.00 H ATOM 523 HB3 ALA A 32 14.287 17.777 22.354 1.00 0.00 H ATOM 524 N LYS A 33 14.355 15.310 20.423 1.00 10.96 N ATOM 525 CA LYS A 33 14.104 14.942 19.031 1.00 12.88 C ATOM 526 C LYS A 33 13.902 13.429 18.876 1.00 12.92 C ATOM 527 O LYS A 33 12.999 13.014 18.153 1.00 14.54 O ATOM 528 CB LYS A 33 15.299 15.393 18.154 1.00 14.78 C ATOM 529 CG LYS A 33 15.005 15.352 16.640 1.00 24.35 C ATOM 530 CD LYS A 33 15.458 14.062 15.929 1.00 31.88 C ATOM 531 CE LYS A 33 14.637 13.749 14.670 1.00 43.51 C ATOM 532 NZ LYS A 33 14.754 14.814 13.660 1.00 44.62 N1+ ATOM 533 H LYS A 33 15.290 15.612 20.661 1.00 0.00 H ATOM 534 HA LYS A 33 13.200 15.458 18.703 1.00 0.00 H ATOM 535 HB3 LYS A 33 16.207 14.832 18.387 1.00 0.00 H ATOM 536 HB2 LYS A 33 15.535 16.424 18.404 1.00 0.00 H ATOM 537 HG3 LYS A 33 15.507 16.194 16.162 1.00 0.00 H ATOM 538 HG2 LYS A 33 13.940 15.524 16.481 1.00 0.00 H ATOM 539 HD3 LYS A 33 15.370 13.209 16.598 1.00 0.00 H ATOM 540 HD2 LYS A 33 16.519 14.126 15.686 1.00 0.00 H ATOM 541 HE3 LYS A 33 13.585 13.616 14.929 1.00 0.00 H ATOM 542 HE2 LYS A 33 14.976 12.810 14.231 1.00 0.00 H ATOM 543 HZ1 LYS A 33 14.204 14.571 12.848 1.00 0.00 H ATOM 544 HZ2 LYS A 33 14.416 15.683 14.047 1.00 0.00 H ATOM 545 HZ3 LYS A 33 15.722 14.917 13.391 1.00 0.00 H ATOM 546 N TRP A 34 14.743 12.613 19.528 1.00 12.70 N ATOM 547 CA TRP A 34 14.749 11.161 19.359 1.00 13.46 C ATOM 548 C TRP A 34 13.863 10.419 20.366 1.00 13.18 C ATOM 549 O TRP A 34 13.552 9.253 20.126 1.00 18.23 O ATOM 550 CB TRP A 34 16.202 10.663 19.453 1.00 14.44 C ATOM 551 CG TRP A 34 17.001 11.037 18.242 1.00 13.70 C ATOM 552 CD1 TRP A 34 18.057 11.880 18.213 1.00 14.63 C ATOM 553 CD2 TRP A 34 16.778 10.631 16.857 1.00 16.12 C ATOM 554 NE1 TRP A 34 18.481 12.047 16.912 1.00 17.71 N ATOM 555 CE2 TRP A 34 17.726 11.305 16.030 1.00 16.71 C ATOM 556 CE3 TRP A 34 15.858 9.772 16.210 1.00 17.51 C ATOM 557 CZ2 TRP A 34 17.750 11.151 14.633 1.00 23.07 C ATOM 558 CZ3 TRP A 34 15.874 9.607 14.810 1.00 23.60 C ATOM 559 CH2 TRP A 34 16.815 10.296 14.021 1.00 24.86 C ATOM 560 H TRP A 34 15.463 13.021 20.110 1.00 0.00 H ATOM 561 HA TRP A 34 14.360 10.902 18.373 1.00 0.00 H ATOM 562 HB3 TRP A 34 16.227 9.576 19.535 1.00 0.00 H ATOM 563 HB2 TRP A 34 16.686 11.051 20.351 1.00 0.00 H ATOM 564 HD1 TRP A 34 18.486 12.358 19.077 1.00 0.00 H ATOM 565 HE1 TRP A 34 19.231 12.679 16.661 1.00 0.00 H ATOM 566 HE3 TRP A 34 15.126 9.239 16.798 1.00 0.00 H ATOM 567 HZ2 TRP A 34 18.478 11.683 14.039 1.00 0.00 H ATOM 568 HZ3 TRP A 34 15.158 8.948 14.340 1.00 0.00 H ATOM 569 HH2 TRP A 34 16.822 10.167 12.949 1.00 0.00 H ATOM 570 N GLU A 35 13.408 11.085 21.439 1.00 12.38 N ATOM 571 CA GLU A 35 12.442 10.527 22.382 1.00 13.11 C ATOM 572 C GLU A 35 11.002 10.764 21.894 1.00 13.40 C ATOM 573 O GLU A 35 10.181 9.858 22.024 1.00 14.31 O ATOM 574 CB GLU A 35 12.618 11.218 23.757 1.00 13.51 C ATOM 575 CG GLU A 35 13.860 10.751 24.553 1.00 13.78 C ATOM 576 CD GLU A 35 13.844 9.296 25.040 1.00 15.30 C ATOM 577 OE1 GLU A 35 12.846 8.585 24.796 1.00 17.48 O ATOM 578 OE2 GLU A 35 14.861 8.908 25.652 1.00 19.70 O1- ATOM 579 H GLU A 35 13.733 12.028 21.602 1.00 0.00 H ATOM 580 HA GLU A 35 12.587 9.451 22.473 1.00 0.00 H ATOM 581 HB3 GLU A 35 11.740 11.053 24.379 1.00 0.00 H ATOM 582 HB2 GLU A 35 12.663 12.300 23.624 1.00 0.00 H ATOM 583 HG3 GLU A 35 13.980 11.392 25.426 1.00 0.00 H ATOM 584 HG2 GLU A 35 14.758 10.877 23.952 1.00 0.00 H ATOM 585 N SER A 36 10.686 11.942 21.324 1.00 13.52 N ATOM 586 CA SER A 36 9.307 12.359 21.044 1.00 13.25 C ATOM 587 C SER A 36 9.068 13.005 19.673 1.00 13.07 C ATOM 588 O SER A 36 7.910 13.136 19.275 1.00 15.89 O ATOM 589 CB SER A 36 8.807 13.244 22.199 1.00 13.02 C ATOM 590 OG SER A 36 9.352 14.545 22.098 1.00 13.33 O ATOM 591 H SER A 36 11.415 12.634 21.223 1.00 0.00 H ATOM 592 HA SER A 36 8.666 11.476 21.033 1.00 0.00 H ATOM 593 HB3 SER A 36 9.041 12.813 23.173 1.00 0.00 H ATOM 594 HB2 SER A 36 7.723 13.328 22.147 1.00 0.00 H ATOM 595 HG SER A 36 10.272 14.504 22.319 1.00 0.00 H ATOM 596 N GLY A 37 10.121 13.469 18.980 1.00 14.49 N ATOM 597 CA GLY A 37 9.994 14.314 17.791 1.00 14.62 C ATOM 598 C GLY A 37 9.546 15.750 18.108 1.00 12.70 C ATOM 599 O GLY A 37 8.977 16.408 17.240 1.00 16.12 O ATOM 600 H GLY A 37 11.052 13.307 19.336 1.00 0.00 H ATOM 601 HA3 GLY A 37 9.295 13.862 17.086 1.00 0.00 H ATOM 602 HA2 GLY A 37 10.956 14.364 17.283 1.00 0.00 H ATOM 603 N TYR A 38 9.760 16.204 19.358 1.00 12.50 N ATOM 604 CA TYR A 38 9.411 17.515 19.919 1.00 12.41 C ATOM 605 C TYR A 38 7.942 17.613 20.383 1.00 12.36 C ATOM 606 O TYR A 38 7.438 18.718 20.586 1.00 15.84 O ATOM 607 CB TYR A 38 9.860 18.702 19.031 1.00 13.48 C ATOM 608 CG TYR A 38 11.296 18.707 18.532 1.00 12.71 C ATOM 609 CD1 TYR A 38 12.367 18.417 19.401 1.00 13.92 C ATOM 610 CD2 TYR A 38 11.565 19.046 17.189 1.00 15.27 C ATOM 611 CE1 TYR A 38 13.693 18.489 18.938 1.00 14.18 C ATOM 612 CE2 TYR A 38 12.891 19.099 16.720 1.00 16.12 C ATOM 613 CZ TYR A 38 13.958 18.824 17.597 1.00 14.45 C ATOM 614 OH TYR A 38 15.245 18.886 17.146 1.00 16.66 O ATOM 615 H TYR A 38 10.215 15.565 19.997 1.00 0.00 H ATOM 616 HA TYR A 38 9.989 17.574 20.841 1.00 0.00 H ATOM 617 HB3 TYR A 38 9.752 19.618 19.603 1.00 0.00 H ATOM 618 HB2 TYR A 38 9.183 18.807 18.183 1.00 0.00 H ATOM 619 HD1 TYR A 38 12.182 18.157 20.433 1.00 0.00 H ATOM 620 HD2 TYR A 38 10.753 19.276 16.514 1.00 0.00 H ATOM 621 HE1 TYR A 38 14.504 18.286 19.619 1.00 0.00 H ATOM 622 HE2 TYR A 38 13.084 19.362 15.691 1.00 0.00 H ATOM 623 HH TYR A 38 15.304 19.116 16.232 1.00 0.00 H ATOM 624 N ASN A 39 7.253 16.468 20.529 1.00 13.71 N ATOM 625 CA ASN A 39 5.832 16.356 20.849 1.00 13.00 C ATOM 626 C ASN A 39 5.658 16.168 22.365 1.00 12.31 C ATOM 627 O ASN A 39 6.107 15.172 22.931 1.00 13.82 O ATOM 628 CB ASN A 39 5.299 15.109 20.101 1.00 14.34 C ATOM 629 CG ASN A 39 3.779 14.905 20.177 1.00 15.85 C ATOM 630 OD1 ASN A 39 3.025 15.816 20.513 1.00 15.88 O ATOM 631 ND2 ASN A 39 3.327 13.684 19.887 1.00 20.01 N ATOM 632 H ASN A 39 7.752 15.603 20.374 1.00 0.00 H ATOM 633 HA ASN A 39 5.298 17.240 20.506 1.00 0.00 H ATOM 634 HB3 ASN A 39 5.796 14.208 20.462 1.00 0.00 H ATOM 635 HB2 ASN A 39 5.557 15.188 19.044 1.00 0.00 H ATOM 636 HD22 ASN A 39 2.337 13.495 19.928 1.00 0.00 H ATOM 637 HD21 ASN A 39 3.973 12.955 19.620 1.00 0.00 H ATOM 638 N THR A 40 4.938 17.103 23.006 1.00 11.81 N ATOM 639 CA THR A 40 4.579 17.053 24.425 1.00 12.68 C ATOM 640 C THR A 40 3.458 16.040 24.721 1.00 12.56 C ATOM 641 O THR A 40 3.307 15.645 25.871 1.00 15.38 O ATOM 642 CB THR A 40 4.125 18.453 24.912 1.00 13.66 C ATOM 643 OG1 THR A 40 2.880 18.862 24.373 1.00 14.74 O ATOM 644 CG2 THR A 40 5.154 19.565 24.687 1.00 15.36 C ATOM 645 H THR A 40 4.590 17.890 22.472 1.00 0.00 H ATOM 646 HA THR A 40 5.459 16.755 24.997 1.00 0.00 H ATOM 647 HB THR A 40 3.977 18.370 25.989 1.00 0.00 H ATOM 648 HG1 THR A 40 2.516 19.517 24.953 1.00 0.00 H ATOM 649 HG21 THR A 40 4.820 20.491 25.156 1.00 0.00 H ATOM 650 HG22 THR A 40 6.116 19.301 25.123 1.00 0.00 H ATOM 651 HG23 THR A 40 5.311 19.764 23.627 1.00 0.00 H ATOM 652 N ARG A 41 2.679 15.618 23.711 1.00 13.38 N ATOM 653 CA ARG A 41 1.551 14.700 23.872 1.00 16.46 C ATOM 654 C ARG A 41 1.992 13.224 23.729 1.00 15.27 C ATOM 655 O ARG A 41 1.164 12.327 23.887 1.00 19.49 O ATOM 656 CB ARG A 41 0.522 15.029 22.766 1.00 17.28 C ATOM 657 CG ARG A 41 -0.911 14.595 23.127 1.00 34.08 C ATOM 658 CD ARG A 41 -1.872 14.554 21.927 1.00 39.13 C ATOM 659 NE ARG A 41 -2.550 13.252 21.868 1.00 41.14 N ATOM 660 CZ ARG A 41 -3.642 12.898 22.566 1.00 39.71 C ATOM 661 NH1 ARG A 41 -4.289 13.772 23.350 1.00 40.71 N ATOM 662 NH2 ARG A 41 -4.086 11.637 22.485 1.00 42.79 N1+ ATOM 663 H ARG A 41 2.866 15.969 22.782 1.00 0.00 H ATOM 664 HA ARG A 41 1.092 14.847 24.852 1.00 0.00 H ATOM 665 HB3 ARG A 41 0.833 14.568 21.827 1.00 0.00 H ATOM 666 HB2 ARG A 41 0.505 16.103 22.573 1.00 0.00 H ATOM 667 HG3 ARG A 41 -1.304 15.280 23.879 1.00 0.00 H ATOM 668 HG2 ARG A 41 -0.905 13.623 23.617 1.00 0.00 H ATOM 669 HD3 ARG A 41 -1.329 14.684 20.990 1.00 0.00 H ATOM 670 HD2 ARG A 41 -2.597 15.367 21.974 1.00 0.00 H ATOM 671 HE ARG A 41 -2.091 12.548 21.308 1.00 0.00 H ATOM 672 HH12 ARG A 41 -5.106 13.491 23.873 1.00 0.00 H ATOM 673 HH11 ARG A 41 -3.960 14.724 23.422 1.00 0.00 H ATOM 674 HH22 ARG A 41 -4.902 11.347 23.004 1.00 0.00 H ATOM 675 HH21 ARG A 41 -3.608 10.963 21.905 1.00 0.00 H ATOM 676 N ALA A 42 3.279 12.961 23.434 1.00 15.38 N ATOM 677 CA ALA A 42 3.848 11.634 23.210 1.00 15.24 C ATOM 678 C ALA A 42 3.746 10.742 24.457 1.00 14.57 C ATOM 679 O ALA A 42 4.083 11.169 25.562 1.00 14.15 O ATOM 680 CB ALA A 42 5.319 11.791 22.798 1.00 19.09 C ATOM 681 H ALA A 42 3.909 13.747 23.347 1.00 0.00 H ATOM 682 HA ALA A 42 3.303 11.167 22.388 1.00 0.00 H ATOM 683 HB1 ALA A 42 5.792 10.823 22.629 1.00 0.00 H ATOM 684 HB2 ALA A 42 5.406 12.358 21.872 1.00 0.00 H ATOM 685 HB3 ALA A 42 5.896 12.314 23.561 1.00 0.00 H ATOM 686 N THR A 43 3.293 9.499 24.250 1.00 16.63 N ATOM 687 CA THR A 43 3.198 8.437 25.247 1.00 16.63 C ATOM 688 C THR A 43 3.677 7.113 24.642 1.00 17.66 C ATOM 689 O THR A 43 3.431 6.834 23.467 1.00 23.52 O ATOM 690 CB THR A 43 1.798 8.356 25.910 1.00 21.44 C ATOM 691 OG1 THR A 43 0.795 8.031 24.967 1.00 28.38 O ATOM 692 CG2 THR A 43 1.387 9.606 26.698 1.00 24.72 C ATOM 693 H THR A 43 3.031 9.239 23.310 1.00 0.00 H ATOM 694 HA THR A 43 3.907 8.682 26.033 1.00 0.00 H ATOM 695 HB THR A 43 1.822 7.529 26.622 1.00 0.00 H ATOM 696 HG1 THR A 43 -0.021 7.907 25.427 1.00 0.00 H ATOM 697 HG21 THR A 43 0.446 9.449 27.226 1.00 0.00 H ATOM 698 HG22 THR A 43 2.144 9.848 27.444 1.00 0.00 H ATOM 699 HG23 THR A 43 1.261 10.473 26.049 1.00 0.00 H ATOM 700 N ASN A 44 4.347 6.299 25.467 1.00 17.38 N ATOM 701 CA ASN A 44 4.844 4.971 25.132 1.00 17.36 C ATOM 702 C ASN A 44 4.629 4.078 26.353 1.00 16.77 C ATOM 703 O ASN A 44 5.308 4.254 27.362 1.00 16.39 O ATOM 704 CB ASN A 44 6.315 5.069 24.668 1.00 21.27 C ATOM 705 CG ASN A 44 6.935 3.712 24.322 1.00 33.34 C ATOM 706 OD1 ASN A 44 6.489 3.042 23.393 1.00 40.32 O ATOM 707 ND2 ASN A 44 7.936 3.288 25.097 1.00 43.32 N ATOM 708 H ASN A 44 4.529 6.623 26.408 1.00 0.00 H ATOM 709 HA ASN A 44 4.253 4.559 24.310 1.00 0.00 H ATOM 710 HB3 ASN A 44 6.920 5.550 25.435 1.00 0.00 H ATOM 711 HB2 ASN A 44 6.384 5.707 23.786 1.00 0.00 H ATOM 712 HD22 ASN A 44 8.354 2.385 24.930 1.00 0.00 H ATOM 713 HD21 ASN A 44 8.259 3.854 25.875 1.00 0.00 H ATOM 714 N TYR A 45 3.712 3.105 26.240 1.00 20.06 N ATOM 715 CA TYR A 45 3.496 2.072 27.247 1.00 19.26 C ATOM 716 C TYR A 45 4.509 0.944 27.014 1.00 18.33 C ATOM 717 O TYR A 45 4.600 0.390 25.917 1.00 21.79 O ATOM 718 CB TYR A 45 2.069 1.501 27.104 1.00 21.83 C ATOM 719 CG TYR A 45 1.727 0.399 28.099 1.00 20.44 C ATOM 720 CD1 TYR A 45 1.825 0.643 29.484 1.00 22.19 C ATOM 721 CD2 TYR A 45 1.336 -0.879 27.648 1.00 22.96 C ATOM 722 CE1 TYR A 45 1.531 -0.370 30.413 1.00 21.20 C ATOM 723 CE2 TYR A 45 1.038 -1.895 28.577 1.00 22.77 C ATOM 724 CZ TYR A 45 1.137 -1.641 29.959 1.00 22.00 C ATOM 725 OH TYR A 45 0.855 -2.626 30.859 1.00 25.95 O ATOM 726 H TYR A 45 3.206 3.017 25.371 1.00 0.00 H ATOM 727 HA TYR A 45 3.618 2.496 28.246 1.00 0.00 H ATOM 728 HB3 TYR A 45 1.909 1.133 26.089 1.00 0.00 H ATOM 729 HB2 TYR A 45 1.345 2.305 27.246 1.00 0.00 H ATOM 730 HD1 TYR A 45 2.142 1.606 29.840 1.00 0.00 H ATOM 731 HD2 TYR A 45 1.266 -1.087 26.590 1.00 0.00 H ATOM 732 HE1 TYR A 45 1.612 -0.170 31.471 1.00 0.00 H ATOM 733 HE2 TYR A 45 0.741 -2.871 28.222 1.00 0.00 H ATOM 734 HH TYR A 45 0.592 -3.436 30.449 1.00 0.00 H ATOM 735 N ASN A 46 5.244 0.605 28.077 1.00 17.53 N ATOM 736 CA ASN A 46 6.196 -0.495 28.138 1.00 18.07 C ATOM 737 C ASN A 46 5.450 -1.663 28.794 1.00 16.83 C ATOM 738 O ASN A 46 5.261 -1.687 30.010 1.00 18.09 O ATOM 739 CB ASN A 46 7.395 -0.069 29.018 1.00 19.02 C ATOM 740 CG ASN A 46 8.132 1.148 28.450 1.00 21.80 C ATOM 741 OD1 ASN A 46 8.722 1.070 27.375 1.00 27.14 O ATOM 742 ND2 ASN A 46 8.064 2.284 29.147 1.00 24.42 N ATOM 743 H ASN A 46 5.088 1.108 28.942 1.00 0.00 H ATOM 744 HA ASN A 46 6.548 -0.779 27.144 1.00 0.00 H ATOM 745 HB3 ASN A 46 8.109 -0.889 29.105 1.00 0.00 H ATOM 746 HB2 ASN A 46 7.069 0.162 30.032 1.00 0.00 H ATOM 747 HD22 ASN A 46 8.502 3.121 28.775 1.00 0.00 H ATOM 748 HD21 ASN A 46 7.573 2.312 30.029 1.00 0.00 H ATOM 749 N ALA A 47 4.997 -2.620 27.969 1.00 19.59 N ATOM 750 CA ALA A 47 4.173 -3.758 28.380 1.00 23.80 C ATOM 751 C ALA A 47 4.931 -4.800 29.221 1.00 22.64 C ATOM 752 O ALA A 47 4.296 -5.552 29.960 1.00 24.61 O ATOM 753 CB ALA A 47 3.631 -4.439 27.113 1.00 27.76 C ATOM 754 H ALA A 47 5.176 -2.515 26.981 1.00 0.00 H ATOM 755 HA ALA A 47 3.339 -3.390 28.977 1.00 0.00 H ATOM 756 HB1 ALA A 47 2.982 -5.280 27.361 1.00 0.00 H ATOM 757 HB2 ALA A 47 3.041 -3.739 26.520 1.00 0.00 H ATOM 758 HB3 ALA A 47 4.436 -4.814 26.480 1.00 0.00 H ATOM 759 N GLY A 48 6.272 -4.827 29.132 1.00 19.99 N ATOM 760 CA GLY A 48 7.137 -5.766 29.840 1.00 22.07 C ATOM 761 C GLY A 48 7.289 -5.488 31.341 1.00 19.81 C ATOM 762 O GLY A 48 7.541 -6.429 32.092 1.00 24.08 O ATOM 763 H GLY A 48 6.717 -4.165 28.514 1.00 0.00 H ATOM 764 HA3 GLY A 48 8.127 -5.727 29.385 1.00 0.00 H ATOM 765 HA2 GLY A 48 6.769 -6.783 29.695 1.00 0.00 H ATOM 766 N ASP A 49 7.109 -4.230 31.781 1.00 18.77 N ATOM 767 CA ASP A 49 7.274 -3.802 33.174 1.00 20.35 C ATOM 768 C ASP A 49 6.071 -2.992 33.694 1.00 17.80 C ATOM 769 O ASP A 49 5.993 -2.752 34.895 1.00 21.18 O ATOM 770 CB ASP A 49 8.660 -3.130 33.370 1.00 20.26 C ATOM 771 CG ASP A 49 8.839 -1.710 32.809 1.00 24.33 C ATOM 772 OD1 ASP A 49 7.970 -1.253 32.036 1.00 19.65 O ATOM 773 OD2 ASP A 49 9.835 -1.073 33.216 1.00 32.10 O1- ATOM 774 H ASP A 49 6.913 -3.509 31.101 1.00 0.00 H ATOM 775 HA ASP A 49 7.279 -4.689 33.809 1.00 0.00 H ATOM 776 HB3 ASP A 49 9.438 -3.761 32.940 1.00 0.00 H ATOM 777 HB2 ASP A 49 8.878 -3.090 34.438 1.00 0.00 H ATOM 778 N ARG A 50 5.142 -2.578 32.815 1.00 19.86 N ATOM 779 CA ARG A 50 3.875 -1.897 33.112 1.00 19.68 C ATOM 780 C ARG A 50 4.020 -0.391 33.396 1.00 18.06 C ATOM 781 O ARG A 50 3.074 0.231 33.881 1.00 22.50 O ATOM 782 CB ARG A 50 2.989 -2.659 34.129 1.00 26.39 C ATOM 783 CG ARG A 50 2.636 -4.084 33.673 1.00 33.44 C ATOM 784 CD ARG A 50 1.814 -4.856 34.715 1.00 35.73 C ATOM 785 NE ARG A 50 2.627 -5.897 35.360 1.00 39.51 N ATOM 786 CZ ARG A 50 2.174 -7.043 35.897 1.00 35.58 C ATOM 787 NH1 ARG A 50 0.868 -7.346 35.908 1.00 54.84 N ATOM 788 NH2 ARG A 50 3.050 -7.901 36.435 1.00 33.65 N1+ ATOM 789 H ARG A 50 5.312 -2.774 31.838 1.00 0.00 H ATOM 790 HA ARG A 50 3.339 -1.927 32.163 1.00 0.00 H ATOM 791 HB3 ARG A 50 2.057 -2.114 34.280 1.00 0.00 H ATOM 792 HB2 ARG A 50 3.468 -2.692 35.107 1.00 0.00 H ATOM 793 HG3 ARG A 50 3.543 -4.638 33.431 1.00 0.00 H ATOM 794 HG2 ARG A 50 2.074 -4.033 32.742 1.00 0.00 H ATOM 795 HD3 ARG A 50 0.974 -5.332 34.207 1.00 0.00 H ATOM 796 HD2 ARG A 50 1.389 -4.196 35.473 1.00 0.00 H ATOM 797 HE ARG A 50 3.616 -5.702 35.414 1.00 0.00 H ATOM 798 HH12 ARG A 50 0.541 -8.210 36.315 1.00 0.00 H ATOM 799 HH11 ARG A 50 0.199 -6.704 35.508 1.00 0.00 H ATOM 800 HH22 ARG A 50 2.733 -8.767 36.844 1.00 0.00 H ATOM 801 HH21 ARG A 50 4.038 -7.693 36.429 1.00 0.00 H ATOM 802 N SER A 51 5.184 0.200 33.078 1.00 16.75 N ATOM 803 CA SER A 51 5.427 1.640 33.142 1.00 15.62 C ATOM 804 C SER A 51 5.042 2.308 31.811 1.00 15.04 C ATOM 805 O SER A 51 4.926 1.649 30.777 1.00 16.06 O ATOM 806 CB SER A 51 6.922 1.884 33.445 1.00 14.40 C ATOM 807 OG SER A 51 7.787 1.553 32.374 1.00 15.71 O ATOM 808 H SER A 51 5.909 -0.371 32.663 1.00 0.00 H ATOM 809 HA SER A 51 4.835 2.081 33.944 1.00 0.00 H ATOM 810 HB3 SER A 51 7.227 1.336 34.335 1.00 0.00 H ATOM 811 HB2 SER A 51 7.072 2.939 33.678 1.00 0.00 H ATOM 812 HG SER A 51 7.814 0.607 32.272 1.00 0.00 H ATOM 813 N THR A 52 4.857 3.633 31.854 1.00 13.80 N ATOM 814 CA THR A 52 4.581 4.488 30.705 1.00 11.94 C ATOM 815 C THR A 52 5.585 5.647 30.729 1.00 12.46 C ATOM 816 O THR A 52 5.822 6.251 31.774 1.00 13.36 O ATOM 817 CB THR A 52 3.110 4.972 30.742 1.00 13.80 C ATOM 818 OG1 THR A 52 2.229 3.873 30.714 1.00 15.81 O ATOM 819 CG2 THR A 52 2.720 5.873 29.555 1.00 13.89 C ATOM 820 H THR A 52 4.960 4.105 32.745 1.00 0.00 H ATOM 821 HA THR A 52 4.740 3.926 29.786 1.00 0.00 H ATOM 822 HB THR A 52 2.921 5.486 31.680 1.00 0.00 H ATOM 823 HG1 THR A 52 2.424 3.326 31.461 1.00 0.00 H ATOM 824 HG21 THR A 52 1.665 6.145 29.598 1.00 0.00 H ATOM 825 HG22 THR A 52 3.288 6.804 29.548 1.00 0.00 H ATOM 826 HG23 THR A 52 2.894 5.372 28.602 1.00 0.00 H ATOM 827 N ASP A 53 6.148 5.968 29.559 1.00 12.43 N ATOM 828 CA ASP A 53 6.991 7.136 29.317 1.00 12.59 C ATOM 829 C ASP A 53 6.094 8.273 28.814 1.00 12.09 C ATOM 830 O ASP A 53 5.264 8.053 27.932 1.00 13.31 O ATOM 831 CB ASP A 53 8.012 6.804 28.214 1.00 14.50 C ATOM 832 CG ASP A 53 8.898 5.599 28.530 1.00 17.20 C ATOM 833 OD1 ASP A 53 9.466 5.580 29.643 1.00 20.85 O ATOM 834 OD2 ASP A 53 8.973 4.702 27.661 1.00 22.38 O1- ATOM 835 H ASP A 53 5.911 5.408 28.749 1.00 0.00 H ATOM 836 HA ASP A 53 7.514 7.438 30.224 1.00 0.00 H ATOM 837 HB3 ASP A 53 8.656 7.662 28.052 1.00 0.00 H ATOM 838 HB2 ASP A 53 7.499 6.617 27.273 1.00 0.00 H ATOM 839 N TYR A 54 6.245 9.469 29.399 1.00 12.07 N ATOM 840 CA TYR A 54 5.373 10.624 29.189 1.00 11.10 C ATOM 841 C TYR A 54 6.159 11.848 28.719 1.00 11.14 C ATOM 842 O TYR A 54 7.202 12.185 29.281 1.00 11.73 O ATOM 843 CB TYR A 54 4.666 10.968 30.512 1.00 13.10 C ATOM 844 CG TYR A 54 3.596 9.988 30.942 1.00 11.22 C ATOM 845 CD1 TYR A 54 3.910 8.927 31.814 1.00 13.36 C ATOM 846 CD2 TYR A 54 2.268 10.163 30.504 1.00 13.72 C ATOM 847 CE1 TYR A 54 2.889 8.069 32.262 1.00 12.26 C ATOM 848 CE2 TYR A 54 1.253 9.289 30.938 1.00 13.52 C ATOM 849 CZ TYR A 54 1.565 8.242 31.823 1.00 12.36 C ATOM 850 OH TYR A 54 0.592 7.390 32.256 1.00 13.90 O ATOM 851 H TYR A 54 6.951 9.559 30.119 1.00 0.00 H ATOM 852 HA TYR A 54 4.612 10.404 28.437 1.00 0.00 H ATOM 853 HB3 TYR A 54 4.187 11.944 30.432 1.00 0.00 H ATOM 854 HB2 TYR A 54 5.399 11.063 31.315 1.00 0.00 H ATOM 855 HD1 TYR A 54 4.923 8.789 32.164 1.00 0.00 H ATOM 856 HD2 TYR A 54 2.028 10.978 29.843 1.00 0.00 H ATOM 857 HE1 TYR A 54 3.114 7.270 32.948 1.00 0.00 H ATOM 858 HE2 TYR A 54 0.238 9.430 30.597 1.00 0.00 H ATOM 859 HH TYR A 54 0.920 6.762 32.890 1.00 0.00 H ATOM 860 N GLY A 55 5.586 12.565 27.745 1.00 12.01 N ATOM 861 CA GLY A 55 5.983 13.912 27.371 1.00 11.22 C ATOM 862 C GLY A 55 7.106 13.998 26.344 1.00 11.31 C ATOM 863 O GLY A 55 7.490 13.009 25.718 1.00 11.64 O ATOM 864 H GLY A 55 4.755 12.197 27.301 1.00 0.00 H ATOM 865 HA3 GLY A 55 6.271 14.473 28.262 1.00 0.00 H ATOM 866 HA2 GLY A 55 5.110 14.407 26.961 1.00 0.00 H ATOM 867 N ILE A 56 7.618 15.228 26.185 1.00 11.13 N ATOM 868 CA ILE A 56 8.654 15.622 25.231 1.00 11.06 C ATOM 869 C ILE A 56 10.031 14.975 25.504 1.00 10.21 C ATOM 870 O ILE A 56 10.827 14.828 24.578 1.00 12.58 O ATOM 871 CB ILE A 56 8.722 17.176 25.199 1.00 12.23 C ATOM 872 CG1 ILE A 56 9.490 17.701 23.967 1.00 12.28 C ATOM 873 CG2 ILE A 56 9.255 17.802 26.507 1.00 13.92 C ATOM 874 CD1 ILE A 56 9.156 19.155 23.609 1.00 18.90 C ATOM 875 H ILE A 56 7.227 15.968 26.750 1.00 0.00 H ATOM 876 HA ILE A 56 8.311 15.274 24.262 1.00 0.00 H ATOM 877 HB ILE A 56 7.693 17.517 25.081 1.00 0.00 H ATOM 878 HG13 ILE A 56 9.243 17.085 23.104 1.00 0.00 H ATOM 879 HG12 ILE A 56 10.565 17.595 24.117 1.00 0.00 H ATOM 880 HG21 ILE A 56 9.132 18.885 26.508 1.00 0.00 H ATOM 881 HG22 ILE A 56 8.726 17.424 27.382 1.00 0.00 H ATOM 882 HG23 ILE A 56 10.316 17.598 26.647 1.00 0.00 H ATOM 883 HD11 ILE A 56 9.669 19.455 22.697 1.00 0.00 H ATOM 884 HD12 ILE A 56 8.087 19.282 23.436 1.00 0.00 H ATOM 885 HD13 ILE A 56 9.453 19.845 24.398 1.00 0.00 H ATOM 886 N PHE A 57 10.297 14.567 26.756 1.00 10.80 N ATOM 887 CA PHE A 57 11.526 13.894 27.170 1.00 11.58 C ATOM 888 C PHE A 57 11.311 12.397 27.450 1.00 12.60 C ATOM 889 O PHE A 57 12.301 11.703 27.664 1.00 14.93 O ATOM 890 CB PHE A 57 12.055 14.577 28.450 1.00 13.21 C ATOM 891 CG PHE A 57 12.531 16.008 28.257 1.00 13.29 C ATOM 892 CD1 PHE A 57 13.535 16.301 27.309 1.00 15.83 C ATOM 893 CD2 PHE A 57 11.981 17.048 29.037 1.00 17.07 C ATOM 894 CE1 PHE A 57 13.986 17.624 27.141 1.00 21.11 C ATOM 895 CE2 PHE A 57 12.436 18.371 28.872 1.00 22.69 C ATOM 896 CZ PHE A 57 13.439 18.657 27.926 1.00 22.40 C ATOM 897 H PHE A 57 9.595 14.725 27.464 1.00 0.00 H ATOM 898 HA PHE A 57 12.289 13.952 26.392 1.00 0.00 H ATOM 899 HB3 PHE A 57 12.900 14.020 28.856 1.00 0.00 H ATOM 900 HB2 PHE A 57 11.284 14.558 29.221 1.00 0.00 H ATOM 901 HD1 PHE A 57 13.969 15.514 26.710 1.00 0.00 H ATOM 902 HD2 PHE A 57 11.216 16.837 29.769 1.00 0.00 H ATOM 903 HE1 PHE A 57 14.759 17.843 26.419 1.00 0.00 H ATOM 904 HE2 PHE A 57 12.017 19.163 29.475 1.00 0.00 H ATOM 905 HZ PHE A 57 13.799 19.666 27.808 1.00 0.00 H ATOM 906 N GLN A 58 10.058 11.893 27.456 1.00 11.15 N ATOM 907 CA GLN A 58 9.687 10.483 27.662 1.00 11.59 C ATOM 908 C GLN A 58 10.123 9.976 29.048 1.00 12.28 C ATOM 909 O GLN A 58 10.821 8.971 29.178 1.00 16.38 O ATOM 910 CB GLN A 58 10.180 9.596 26.493 1.00 12.66 C ATOM 911 CG GLN A 58 9.402 9.811 25.185 1.00 12.90 C ATOM 912 CD GLN A 58 7.977 9.259 25.230 1.00 13.93 C ATOM 913 OE1 GLN A 58 7.768 8.056 25.115 1.00 15.93 O ATOM 914 NE2 GLN A 58 6.988 10.138 25.380 1.00 13.81 N ATOM 915 H GLN A 58 9.300 12.528 27.251 1.00 0.00 H ATOM 916 HA GLN A 58 8.599 10.447 27.683 1.00 0.00 H ATOM 917 HB3 GLN A 58 10.134 8.538 26.743 1.00 0.00 H ATOM 918 HB2 GLN A 58 11.235 9.784 26.320 1.00 0.00 H ATOM 919 HG3 GLN A 58 9.929 9.266 24.405 1.00 0.00 H ATOM 920 HG2 GLN A 58 9.400 10.862 24.893 1.00 0.00 H ATOM 921 HE22 GLN A 58 6.032 9.816 25.423 1.00 0.00 H ATOM 922 HE21 GLN A 58 7.195 11.127 25.463 1.00 0.00 H ATOM 923 N ILE A 59 9.730 10.728 30.084 1.00 11.14 N ATOM 924 CA ILE A 59 10.056 10.497 31.486 1.00 12.69 C ATOM 925 C ILE A 59 9.141 9.379 32.021 1.00 11.92 C ATOM 926 O ILE A 59 7.916 9.460 31.916 1.00 12.81 O ATOM 927 CB ILE A 59 9.859 11.848 32.228 1.00 12.88 C ATOM 928 CG1 ILE A 59 10.983 12.842 31.840 1.00 16.58 C ATOM 929 CG2 ILE A 59 9.780 11.712 33.757 1.00 15.82 C ATOM 930 CD1 ILE A 59 10.697 14.308 32.201 1.00 20.06 C ATOM 931 H ILE A 59 9.142 11.524 29.881 1.00 0.00 H ATOM 932 HA ILE A 59 11.099 10.185 31.577 1.00 0.00 H ATOM 933 HB ILE A 59 8.913 12.269 31.891 1.00 0.00 H ATOM 934 HG13 ILE A 59 11.160 12.799 30.766 1.00 0.00 H ATOM 935 HG12 ILE A 59 11.921 12.532 32.302 1.00 0.00 H ATOM 936 HG21 ILE A 59 9.581 12.675 34.217 1.00 0.00 H ATOM 937 HG22 ILE A 59 8.968 11.062 34.083 1.00 0.00 H ATOM 938 HG23 ILE A 59 10.717 11.329 34.161 1.00 0.00 H ATOM 939 HD11 ILE A 59 11.492 14.956 31.832 1.00 0.00 H ATOM 940 HD12 ILE A 59 9.762 14.649 31.757 1.00 0.00 H ATOM 941 HD13 ILE A 59 10.636 14.459 33.277 1.00 0.00 H ATOM 942 N ASN A 60 9.773 8.330 32.571 1.00 13.13 N ATOM 943 CA ASN A 60 9.156 7.068 32.971 1.00 12.23 C ATOM 944 C ASN A 60 8.450 7.187 34.334 1.00 12.37 C ATOM 945 O ASN A 60 8.945 7.826 35.264 1.00 15.10 O ATOM 946 CB ASN A 60 10.285 6.016 33.060 1.00 14.92 C ATOM 947 CG ASN A 60 9.745 4.588 33.146 1.00 15.27 C ATOM 948 OD1 ASN A 60 9.647 4.027 34.234 1.00 18.11 O ATOM 949 ND2 ASN A 60 9.389 4.002 32.004 1.00 18.70 N ATOM 950 H ASN A 60 10.780 8.368 32.614 1.00 0.00 H ATOM 951 HA ASN A 60 8.441 6.774 32.201 1.00 0.00 H ATOM 952 HB3 ASN A 60 10.937 6.210 33.913 1.00 0.00 H ATOM 953 HB2 ASN A 60 10.920 6.078 32.174 1.00 0.00 H ATOM 954 HD22 ASN A 60 9.009 3.063 32.020 1.00 0.00 H ATOM 955 HD21 ASN A 60 9.475 4.507 31.124 1.00 0.00 H ATOM 956 N SER A 61 7.288 6.527 34.432 1.00 12.35 N ATOM 957 CA SER A 61 6.364 6.570 35.560 1.00 12.09 C ATOM 958 C SER A 61 6.662 5.572 36.695 1.00 13.49 C ATOM 959 O SER A 61 5.924 5.567 37.681 1.00 15.29 O ATOM 960 CB SER A 61 4.960 6.314 34.988 1.00 14.79 C ATOM 961 OG SER A 61 4.817 5.014 34.453 1.00 13.83 O ATOM 962 H SER A 61 6.958 6.035 33.612 1.00 0.00 H ATOM 963 HA SER A 61 6.388 7.576 35.975 1.00 0.00 H ATOM 964 HB3 SER A 61 4.776 7.044 34.205 1.00 0.00 H ATOM 965 HB2 SER A 61 4.190 6.472 35.745 1.00 0.00 H ATOM 966 HG SER A 61 4.617 4.414 35.160 1.00 0.00 H ATOM 967 N ARG A 62 7.728 4.756 36.606 1.00 15.46 N ATOM 968 CA ARG A 62 8.186 3.939 37.735 1.00 16.61 C ATOM 969 C ARG A 62 9.106 4.747 38.666 1.00 16.86 C ATOM 970 O ARG A 62 9.147 4.462 39.861 1.00 26.96 O ATOM 971 CB ARG A 62 8.953 2.699 37.222 1.00 19.91 C ATOM 972 CG ARG A 62 9.532 1.819 38.353 1.00 26.96 C ATOM 973 CD ARG A 62 9.828 0.382 37.925 1.00 41.99 C ATOM 974 NE ARG A 62 8.618 -0.437 38.062 1.00 38.78 N ATOM 975 CZ ARG A 62 7.871 -0.926 37.061 1.00 40.02 C ATOM 976 NH1 ARG A 62 8.191 -0.720 35.781 1.00 45.48 N ATOM 977 NH2 ARG A 62 6.775 -1.634 37.346 1.00 51.32 N1+ ATOM 978 H ARG A 62 8.291 4.767 35.766 1.00 0.00 H ATOM 979 HA ARG A 62 7.333 3.588 38.318 1.00 0.00 H ATOM 980 HB3 ARG A 62 9.766 2.992 36.560 1.00 0.00 H ATOM 981 HB2 ARG A 62 8.267 2.104 36.617 1.00 0.00 H ATOM 982 HG3 ARG A 62 8.831 1.796 39.190 1.00 0.00 H ATOM 983 HG2 ARG A 62 10.445 2.269 38.744 1.00 0.00 H ATOM 984 HD3 ARG A 62 10.576 -0.041 38.597 1.00 0.00 H ATOM 985 HD2 ARG A 62 10.260 0.341 36.925 1.00 0.00 H ATOM 986 HE ARG A 62 8.302 -0.600 39.009 1.00 0.00 H ATOM 987 HH12 ARG A 62 7.615 -1.108 35.047 1.00 0.00 H ATOM 988 HH11 ARG A 62 9.033 -0.223 35.527 1.00 0.00 H ATOM 989 HH22 ARG A 62 6.235 -2.049 36.595 1.00 0.00 H ATOM 990 HH21 ARG A 62 6.467 -1.727 38.304 1.00 0.00 H ATOM 991 N TYR A 63 9.854 5.728 38.142 1.00 17.34 N ATOM 992 CA TYR A 63 10.932 6.382 38.881 1.00 17.97 C ATOM 993 C TYR A 63 10.663 7.866 39.144 1.00 16.02 C ATOM 994 O TYR A 63 11.139 8.376 40.156 1.00 19.73 O ATOM 995 CB TYR A 63 12.245 6.198 38.095 1.00 25.58 C ATOM 996 CG TYR A 63 12.655 4.745 37.928 1.00 28.37 C ATOM 997 CD1 TYR A 63 13.062 3.989 39.048 1.00 32.48 C ATOM 998 CD2 TYR A 63 12.590 4.133 36.658 1.00 34.89 C ATOM 999 CE1 TYR A 63 13.391 2.628 38.900 1.00 37.71 C ATOM 1000 CE2 TYR A 63 12.921 2.773 36.511 1.00 35.23 C ATOM 1001 CZ TYR A 63 13.318 2.018 37.632 1.00 35.13 C ATOM 1002 OH TYR A 63 13.625 0.696 37.494 1.00 45.56 O ATOM 1003 H TYR A 63 9.768 5.929 37.157 1.00 0.00 H ATOM 1004 HA TYR A 63 11.081 5.920 39.858 1.00 0.00 H ATOM 1005 HB3 TYR A 63 13.061 6.724 38.594 1.00 0.00 H ATOM 1006 HB2 TYR A 63 12.149 6.652 37.110 1.00 0.00 H ATOM 1007 HD1 TYR A 63 13.109 4.448 40.025 1.00 0.00 H ATOM 1008 HD2 TYR A 63 12.269 4.699 35.795 1.00 0.00 H ATOM 1009 HE1 TYR A 63 13.693 2.051 39.762 1.00 0.00 H ATOM 1010 HE2 TYR A 63 12.857 2.311 35.536 1.00 0.00 H ATOM 1011 HH TYR A 63 13.573 0.394 36.600 1.00 0.00 H ATOM 1012 N TRP A 64 9.932 8.560 38.254 1.00 13.82 N ATOM 1013 CA TRP A 64 9.965 10.022 38.160 1.00 13.15 C ATOM 1014 C TRP A 64 8.607 10.681 38.406 1.00 11.80 C ATOM 1015 O TRP A 64 8.523 11.548 39.272 1.00 15.36 O ATOM 1016 CB TRP A 64 10.582 10.418 36.809 1.00 13.45 C ATOM 1017 CG TRP A 64 11.958 9.867 36.582 1.00 14.00 C ATOM 1018 CD1 TRP A 64 12.312 8.977 35.627 1.00 16.69 C ATOM 1019 CD2 TRP A 64 13.160 10.114 37.368 1.00 15.23 C ATOM 1020 NE1 TRP A 64 13.640 8.634 35.789 1.00 17.44 N ATOM 1021 CE2 TRP A 64 14.209 9.287 36.863 1.00 15.85 C ATOM 1022 CE3 TRP A 64 13.472 10.956 38.461 1.00 16.08 C ATOM 1023 CZ2 TRP A 64 15.492 9.273 37.436 1.00 17.87 C ATOM 1024 CZ3 TRP A 64 14.752 10.947 39.048 1.00 17.34 C ATOM 1025 CH2 TRP A 64 15.758 10.105 38.539 1.00 18.86 C ATOM 1026 H TRP A 64 9.532 8.064 37.470 1.00 0.00 H ATOM 1027 HA TRP A 64 10.623 10.430 38.929 1.00 0.00 H ATOM 1028 HB3 TRP A 64 10.639 11.501 36.723 1.00 0.00 H ATOM 1029 HB2 TRP A 64 9.935 10.079 36.003 1.00 0.00 H ATOM 1030 HD1 TRP A 64 11.638 8.574 34.886 1.00 0.00 H ATOM 1031 HE1 TRP A 64 14.110 7.972 35.187 1.00 0.00 H ATOM 1032 HE3 TRP A 64 12.713 11.614 38.855 1.00 0.00 H ATOM 1033 HZ2 TRP A 64 16.267 8.640 37.031 1.00 0.00 H ATOM 1034 HZ3 TRP A 64 14.966 11.592 39.887 1.00 0.00 H ATOM 1035 HH2 TRP A 64 16.741 10.116 38.980 1.00 0.00 H ATOM 1036 N CYS A 65 7.552 10.264 37.693 1.00 14.31 N ATOM 1037 CA CYS A 65 6.187 10.772 37.858 1.00 12.60 C ATOM 1038 C CYS A 65 5.261 9.641 38.326 1.00 14.32 C ATOM 1039 O CYS A 65 5.589 8.467 38.168 1.00 14.95 O ATOM 1040 CB CYS A 65 5.725 11.442 36.545 1.00 13.50 C ATOM 1041 SG CYS A 65 5.477 10.370 35.095 1.00 14.34 S ATOM 1042 H CYS A 65 7.688 9.530 37.012 1.00 0.00 H ATOM 1043 HA CYS A 65 6.159 11.543 38.629 1.00 0.00 H ATOM 1044 HB3 CYS A 65 6.456 12.202 36.270 1.00 0.00 H ATOM 1045 HB2 CYS A 65 4.798 11.986 36.726 1.00 0.00 H ATOM 1046 N ASN A 66 4.100 9.992 38.897 1.00 13.49 N ATOM 1047 CA ASN A 66 3.060 9.047 39.302 1.00 12.07 C ATOM 1048 C ASN A 66 1.880 9.153 38.325 1.00 13.15 C ATOM 1049 O ASN A 66 1.340 10.238 38.117 1.00 12.75 O ATOM 1050 CB ASN A 66 2.594 9.424 40.727 1.00 15.96 C ATOM 1051 CG ASN A 66 1.586 8.437 41.325 1.00 19.44 C ATOM 1052 OD1 ASN A 66 1.807 7.228 41.306 1.00 21.93 O ATOM 1053 ND2 ASN A 66 0.453 8.945 41.814 1.00 22.57 N ATOM 1054 H ASN A 66 3.904 10.977 39.023 1.00 0.00 H ATOM 1055 HA ASN A 66 3.441 8.023 39.309 1.00 0.00 H ATOM 1056 HB3 ASN A 66 2.197 10.441 40.752 1.00 0.00 H ATOM 1057 HB2 ASN A 66 3.452 9.414 41.393 1.00 0.00 H ATOM 1058 HD22 ASN A 66 -0.241 8.325 42.205 1.00 0.00 H ATOM 1059 HD21 ASN A 66 0.293 9.941 41.794 1.00 0.00 H ATOM 1060 N ASP A 67 1.455 8.005 37.778 1.00 12.42 N ATOM 1061 CA ASP A 67 0.211 7.840 37.017 1.00 13.42 C ATOM 1062 C ASP A 67 -0.785 6.941 37.781 1.00 13.40 C ATOM 1063 O ASP A 67 -1.897 6.726 37.300 1.00 16.86 O ATOM 1064 CB ASP A 67 0.518 7.308 35.592 1.00 12.34 C ATOM 1065 CG ASP A 67 1.124 5.902 35.446 1.00 13.28 C ATOM 1066 OD1 ASP A 67 1.401 5.241 36.472 1.00 14.28 O ATOM 1067 OD2 ASP A 67 1.284 5.502 34.271 1.00 14.87 O1- ATOM 1068 H ASP A 67 1.985 7.163 37.958 1.00 0.00 H ATOM 1069 HA ASP A 67 -0.285 8.805 36.900 1.00 0.00 H ATOM 1070 HB3 ASP A 67 1.187 8.003 35.088 1.00 0.00 H ATOM 1071 HB2 ASP A 67 -0.404 7.322 35.009 1.00 0.00 H ATOM 1072 N GLY A 68 -0.395 6.425 38.961 1.00 13.31 N ATOM 1073 CA GLY A 68 -1.205 5.612 39.862 1.00 14.71 C ATOM 1074 C GLY A 68 -1.401 4.146 39.448 1.00 17.90 C ATOM 1075 O GLY A 68 -1.990 3.396 40.225 1.00 27.90 O ATOM 1076 H GLY A 68 0.536 6.652 39.281 1.00 0.00 H ATOM 1077 HA3 GLY A 68 -2.184 6.075 39.987 1.00 0.00 H ATOM 1078 HA2 GLY A 68 -0.730 5.629 40.843 1.00 0.00 H ATOM 1079 N LYS A 69 -0.920 3.733 38.261 1.00 18.83 N ATOM 1080 CA LYS A 69 -1.137 2.404 37.683 1.00 17.60 C ATOM 1081 C LYS A 69 0.159 1.614 37.440 1.00 18.43 C ATOM 1082 O LYS A 69 0.079 0.472 36.989 1.00 23.74 O ATOM 1083 CB LYS A 69 -2.010 2.506 36.409 1.00 20.00 C ATOM 1084 CG LYS A 69 -1.361 3.231 35.209 1.00 19.72 C ATOM 1085 CD LYS A 69 -2.067 2.908 33.880 1.00 28.11 C ATOM 1086 CE LYS A 69 -1.336 3.452 32.642 1.00 40.33 C ATOM 1087 NZ LYS A 69 -1.494 4.908 32.506 1.00 48.89 N1+ ATOM 1088 H LYS A 69 -0.427 4.406 37.689 1.00 0.00 H ATOM 1089 HA LYS A 69 -1.700 1.791 38.388 1.00 0.00 H ATOM 1090 HB3 LYS A 69 -2.957 2.989 36.652 1.00 0.00 H ATOM 1091 HB2 LYS A 69 -2.275 1.493 36.105 1.00 0.00 H ATOM 1092 HG3 LYS A 69 -0.313 2.945 35.115 1.00 0.00 H ATOM 1093 HG2 LYS A 69 -1.366 4.307 35.389 1.00 0.00 H ATOM 1094 HD3 LYS A 69 -3.099 3.261 33.902 1.00 0.00 H ATOM 1095 HD2 LYS A 69 -2.122 1.824 33.778 1.00 0.00 H ATOM 1096 HE3 LYS A 69 -1.740 2.986 31.743 1.00 0.00 H ATOM 1097 HE2 LYS A 69 -0.274 3.204 32.677 1.00 0.00 H ATOM 1098 HZ1 LYS A 69 -1.019 5.225 31.672 1.00 0.00 H ATOM 1099 HZ2 LYS A 69 -2.473 5.146 32.452 1.00 0.00 H ATOM 1100 HZ3 LYS A 69 -1.077 5.360 33.309 1.00 0.00 H ATOM 1101 N THR A 70 1.336 2.195 37.730 1.00 17.05 N ATOM 1102 CA THR A 70 2.635 1.543 37.554 1.00 18.01 C ATOM 1103 C THR A 70 3.052 0.925 38.908 1.00 19.16 C ATOM 1104 O THR A 70 3.187 1.672 39.880 1.00 22.32 O ATOM 1105 CB THR A 70 3.679 2.606 37.138 1.00 17.38 C ATOM 1106 OG1 THR A 70 3.278 3.140 35.896 1.00 16.08 O ATOM 1107 CG2 THR A 70 5.088 2.022 36.919 1.00 18.56 C ATOM 1108 H THR A 70 1.333 3.138 38.091 1.00 0.00 H ATOM 1109 HA THR A 70 2.582 0.808 36.752 1.00 0.00 H ATOM 1110 HB THR A 70 3.729 3.424 37.859 1.00 0.00 H ATOM 1111 HG1 THR A 70 2.501 3.671 36.028 1.00 0.00 H ATOM 1112 HG21 THR A 70 5.748 2.752 36.455 1.00 0.00 H ATOM 1113 HG22 THR A 70 5.552 1.719 37.858 1.00 0.00 H ATOM 1114 HG23 THR A 70 5.059 1.148 36.267 1.00 0.00 H ATOM 1115 N PRO A 71 3.275 -0.411 38.995 1.00 20.91 N ATOM 1116 CA PRO A 71 3.800 -1.088 40.195 1.00 23.96 C ATOM 1117 C PRO A 71 5.179 -0.550 40.622 1.00 23.90 C ATOM 1118 O PRO A 71 6.028 -0.289 39.769 1.00 25.80 O ATOM 1119 CB PRO A 71 3.946 -2.571 39.805 1.00 25.33 C ATOM 1120 CG PRO A 71 3.100 -2.764 38.559 1.00 29.02 C ATOM 1121 CD PRO A 71 2.940 -1.376 37.947 1.00 23.02 C ATOM 1122 HA PRO A 71 3.074 -0.977 41.003 1.00 0.00 H ATOM 1123 HB3 PRO A 71 3.636 -3.236 40.612 1.00 0.00 H ATOM 1124 HB2 PRO A 71 4.978 -2.830 39.561 1.00 0.00 H ATOM 1125 HG3 PRO A 71 2.118 -3.140 38.851 1.00 0.00 H ATOM 1126 HG2 PRO A 71 3.529 -3.483 37.861 1.00 0.00 H ATOM 1127 HD2 PRO A 71 3.637 -1.251 37.116 1.00 0.00 H ATOM 1128 HD3 PRO A 71 1.928 -1.246 37.566 1.00 0.00 H ATOM 1129 N GLY A 72 5.414 -0.411 41.935 1.00 31.25 N ATOM 1130 CA GLY A 72 6.701 -0.000 42.501 1.00 31.98 C ATOM 1131 C GLY A 72 7.118 1.443 42.179 1.00 28.73 C ATOM 1132 O GLY A 72 8.316 1.715 42.095 1.00 39.18 O ATOM 1133 H GLY A 72 4.675 -0.641 42.585 1.00 0.00 H ATOM 1134 HA3 GLY A 72 7.479 -0.685 42.160 1.00 0.00 H ATOM 1135 HA2 GLY A 72 6.648 -0.106 43.584 1.00 0.00 H ATOM 1136 N ALA A 73 6.143 2.346 41.962 1.00 25.80 N ATOM 1137 CA ALA A 73 6.348 3.752 41.616 1.00 26.10 C ATOM 1138 C ALA A 73 6.975 4.540 42.780 1.00 24.83 C ATOM 1139 O ALA A 73 6.521 4.433 43.919 1.00 28.55 O ATOM 1140 CB ALA A 73 4.999 4.380 41.235 1.00 30.47 C ATOM 1141 H ALA A 73 5.186 2.030 42.032 1.00 0.00 H ATOM 1142 HA ALA A 73 6.992 3.788 40.743 1.00 0.00 H ATOM 1143 HB1 ALA A 73 5.111 5.436 40.987 1.00 0.00 H ATOM 1144 HB2 ALA A 73 4.578 3.891 40.357 1.00 0.00 H ATOM 1145 HB3 ALA A 73 4.271 4.302 42.043 1.00 0.00 H ATOM 1146 N VAL A 74 8.023 5.321 42.475 1.00 25.08 N ATOM 1147 CA VAL A 74 8.808 6.102 43.435 1.00 27.99 C ATOM 1148 C VAL A 74 8.326 7.565 43.456 1.00 23.91 C ATOM 1149 O VAL A 74 8.188 8.131 44.539 1.00 27.27 O ATOM 1150 CB VAL A 74 10.308 6.030 43.024 1.00 26.11 C ATOM 1151 CG1 VAL A 74 11.236 6.916 43.882 1.00 30.20 C ATOM 1152 CG2 VAL A 74 10.829 4.579 43.046 1.00 34.73 C ATOM 1153 H VAL A 74 8.351 5.310 41.519 1.00 0.00 H ATOM 1154 HA VAL A 74 8.700 5.689 44.441 1.00 0.00 H ATOM 1155 HB VAL A 74 10.395 6.388 41.998 1.00 0.00 H ATOM 1156 HG11 VAL A 74 12.278 6.788 43.589 1.00 0.00 H ATOM 1157 HG12 VAL A 74 11.012 7.977 43.773 1.00 0.00 H ATOM 1158 HG13 VAL A 74 11.156 6.663 44.940 1.00 0.00 H ATOM 1159 HG21 VAL A 74 11.876 4.534 42.746 1.00 0.00 H ATOM 1160 HG22 VAL A 74 10.749 4.146 44.044 1.00 0.00 H ATOM 1161 HG23 VAL A 74 10.277 3.935 42.362 1.00 0.00 H ATOM 1162 N ASN A 75 8.094 8.174 42.275 1.00 22.30 N ATOM 1163 CA ASN A 75 7.639 9.556 42.069 1.00 17.58 C ATOM 1164 C ASN A 75 8.679 10.570 42.596 1.00 16.17 C ATOM 1165 O ASN A 75 8.371 11.398 43.454 1.00 16.46 O ATOM 1166 CB ASN A 75 6.208 9.763 42.641 1.00 17.90 C ATOM 1167 CG ASN A 75 5.538 11.072 42.200 1.00 18.28 C ATOM 1168 OD1 ASN A 75 5.944 11.696 41.223 1.00 18.76 O ATOM 1169 ND2 ASN A 75 4.522 11.514 42.944 1.00 19.69 N ATOM 1170 H ASN A 75 8.238 7.625 41.441 1.00 0.00 H ATOM 1171 HA ASN A 75 7.593 9.676 40.986 1.00 0.00 H ATOM 1172 HB3 ASN A 75 6.220 9.720 43.731 1.00 0.00 H ATOM 1173 HB2 ASN A 75 5.571 8.943 42.311 1.00 0.00 H ATOM 1174 HD22 ASN A 75 4.057 12.373 42.690 1.00 0.00 H ATOM 1175 HD21 ASN A 75 4.222 10.991 43.754 1.00 0.00 H ATOM 1176 N ALA A 76 9.923 10.485 42.098 1.00 15.78 N ATOM 1177 CA ALA A 76 11.056 11.288 42.562 1.00 15.84 C ATOM 1178 C ALA A 76 10.990 12.776 42.159 1.00 16.60 C ATOM 1179 O ALA A 76 11.644 13.591 42.809 1.00 18.71 O ATOM 1180 CB ALA A 76 12.346 10.677 42.001 1.00 19.70 C ATOM 1181 H ALA A 76 10.116 9.774 41.406 1.00 0.00 H ATOM 1182 HA ALA A 76 11.092 11.236 43.652 1.00 0.00 H ATOM 1183 HB1 ALA A 76 13.227 11.241 42.308 1.00 0.00 H ATOM 1184 HB2 ALA A 76 12.478 9.652 42.350 1.00 0.00 H ATOM 1185 HB3 ALA A 76 12.329 10.653 40.914 1.00 0.00 H ATOM 1186 N CYS A 77 10.191 13.144 41.140 1.00 15.43 N ATOM 1187 CA CYS A 77 9.927 14.537 40.760 1.00 15.15 C ATOM 1188 C CYS A 77 8.734 15.125 41.533 1.00 15.94 C ATOM 1189 O CYS A 77 8.596 16.347 41.569 1.00 16.72 O ATOM 1190 CB CYS A 77 9.576 14.616 39.262 1.00 15.14 C ATOM 1191 SG CYS A 77 10.929 14.122 38.168 1.00 14.34 S ATOM 1192 H CYS A 77 9.685 12.424 40.639 1.00 0.00 H ATOM 1193 HA CYS A 77 10.801 15.161 40.952 1.00 0.00 H ATOM 1194 HB3 CYS A 77 9.326 15.645 38.997 1.00 0.00 H ATOM 1195 HB2 CYS A 77 8.689 14.029 39.026 1.00 0.00 H ATOM 1196 N HIS A 78 7.877 14.275 42.130 1.00 15.99 N ATOM 1197 CA HIS A 78 6.708 14.637 42.940 1.00 16.71 C ATOM 1198 C HIS A 78 5.605 15.307 42.100 1.00 17.72 C ATOM 1199 O HIS A 78 4.949 16.246 42.549 1.00 18.21 O ATOM 1200 CB HIS A 78 7.090 15.383 44.240 1.00 25.66 C ATOM 1201 CG HIS A 78 7.910 14.538 45.185 1.00 30.49 C ATOM 1202 ND1 HIS A 78 9.276 14.355 45.050 1.00 33.57 N ATOM 1203 CD2 HIS A 78 7.539 13.759 46.260 1.00 31.11 C ATOM 1204 CE1 HIS A 78 9.657 13.507 46.009 1.00 32.40 C ATOM 1205 NE2 HIS A 78 8.657 13.107 46.783 1.00 35.66 N ATOM 1206 H HIS A 78 8.072 13.287 42.053 1.00 0.00 H ATOM 1207 HA HIS A 78 6.273 13.690 43.256 1.00 0.00 H ATOM 1208 HB3 HIS A 78 6.185 15.666 44.779 1.00 0.00 H ATOM 1209 HB2 HIS A 78 7.619 16.313 44.031 1.00 0.00 H ATOM 1210 HD1 HIS A 78 9.869 14.756 44.338 1.00 0.00 H ATOM 1211 HD2 HIS A 78 6.557 13.604 46.681 1.00 0.00 H ATOM 1212 HE1 HIS A 78 10.676 13.170 46.133 1.00 0.00 H ATOM 1213 N LEU A 79 5.443 14.822 40.859 1.00 15.10 N ATOM 1214 CA LEU A 79 4.465 15.262 39.874 1.00 16.14 C ATOM 1215 C LEU A 79 3.500 14.122 39.543 1.00 14.36 C ATOM 1216 O LEU A 79 3.871 12.948 39.556 1.00 16.77 O ATOM 1217 CB LEU A 79 5.189 15.628 38.557 1.00 20.57 C ATOM 1218 CG LEU A 79 5.959 16.960 38.553 1.00 27.66 C ATOM 1219 CD1 LEU A 79 6.744 17.082 37.242 1.00 29.20 C ATOM 1220 CD2 LEU A 79 5.034 18.178 38.723 1.00 32.17 C ATOM 1221 H LEU A 79 6.022 14.038 40.594 1.00 0.00 H ATOM 1222 HA LEU A 79 3.881 16.105 40.243 1.00 0.00 H ATOM 1223 HB3 LEU A 79 4.471 15.678 37.738 1.00 0.00 H ATOM 1224 HB2 LEU A 79 5.870 14.816 38.294 1.00 0.00 H ATOM 1225 HG LEU A 79 6.676 16.950 39.375 1.00 0.00 H ATOM 1226 HD11 LEU A 79 7.402 17.951 37.261 1.00 0.00 H ATOM 1227 HD12 LEU A 79 7.357 16.197 37.078 1.00 0.00 H ATOM 1228 HD13 LEU A 79 6.079 17.181 36.383 1.00 0.00 H ATOM 1229 HD21 LEU A 79 5.598 19.109 38.644 1.00 0.00 H ATOM 1230 HD22 LEU A 79 4.258 18.201 37.957 1.00 0.00 H ATOM 1231 HD23 LEU A 79 4.547 18.184 39.698 1.00 0.00 H ATOM 1232 N SER A 80 2.290 14.502 39.111 1.00 12.78 N ATOM 1233 CA SER A 80 1.430 13.658 38.292 1.00 13.23 C ATOM 1234 C SER A 80 2.025 13.614 36.872 1.00 12.09 C ATOM 1235 O SER A 80 2.484 14.640 36.366 1.00 12.94 O ATOM 1236 CB SER A 80 0.021 14.284 38.244 1.00 14.70 C ATOM 1237 OG SER A 80 -0.861 13.493 37.472 1.00 14.92 O ATOM 1238 H SER A 80 2.073 15.487 39.127 1.00 0.00 H ATOM 1239 HA SER A 80 1.375 12.661 38.727 1.00 0.00 H ATOM 1240 HB3 SER A 80 0.055 15.287 37.815 1.00 0.00 H ATOM 1241 HB2 SER A 80 -0.390 14.380 39.249 1.00 0.00 H ATOM 1242 HG SER A 80 -1.654 13.986 37.320 1.00 0.00 H ATOM 1243 N CYS A 81 1.996 12.444 36.216 1.00 12.15 N ATOM 1244 CA CYS A 81 2.475 12.264 34.841 1.00 11.82 C ATOM 1245 C CYS A 81 1.654 13.045 33.792 1.00 11.57 C ATOM 1246 O CYS A 81 2.137 13.250 32.680 1.00 13.13 O ATOM 1247 CB CYS A 81 2.454 10.775 34.468 1.00 13.14 C ATOM 1248 SG CYS A 81 3.585 9.650 35.336 1.00 13.20 S ATOM 1249 H CYS A 81 1.617 11.634 36.692 1.00 0.00 H ATOM 1250 HA CYS A 81 3.501 12.629 34.781 1.00 0.00 H ATOM 1251 HB3 CYS A 81 2.686 10.684 33.411 1.00 0.00 H ATOM 1252 HB2 CYS A 81 1.444 10.380 34.584 1.00 0.00 H ATOM 1253 N SER A 82 0.446 13.517 34.152 1.00 12.73 N ATOM 1254 CA SER A 82 -0.405 14.393 33.345 1.00 13.54 C ATOM 1255 C SER A 82 0.167 15.819 33.184 1.00 11.95 C ATOM 1256 O SER A 82 -0.183 16.496 32.218 1.00 13.03 O ATOM 1257 CB SER A 82 -1.814 14.434 33.981 1.00 17.55 C ATOM 1258 OG SER A 82 -1.873 15.193 35.177 1.00 18.83 O ATOM 1259 H SER A 82 0.122 13.315 35.088 1.00 0.00 H ATOM 1260 HA SER A 82 -0.489 13.949 32.351 1.00 0.00 H ATOM 1261 HB3 SER A 82 -2.168 13.423 34.186 1.00 0.00 H ATOM 1262 HB2 SER A 82 -2.522 14.869 33.275 1.00 0.00 H ATOM 1263 HG SER A 82 -1.679 16.095 34.972 1.00 0.00 H ATOM 1264 N ALA A 83 1.068 16.258 34.085 1.00 12.11 N ATOM 1265 CA ALA A 83 1.784 17.536 34.010 1.00 12.56 C ATOM 1266 C ALA A 83 2.866 17.532 32.913 1.00 13.55 C ATOM 1267 O ALA A 83 3.273 18.594 32.447 1.00 15.23 O ATOM 1268 CB ALA A 83 2.469 17.797 35.361 1.00 15.16 C ATOM 1269 H ALA A 83 1.318 15.640 34.846 1.00 0.00 H ATOM 1270 HA ALA A 83 1.072 18.337 33.806 1.00 0.00 H ATOM 1271 HB1 ALA A 83 2.943 18.778 35.375 1.00 0.00 H ATOM 1272 HB2 ALA A 83 1.749 17.774 36.179 1.00 0.00 H ATOM 1273 HB3 ALA A 83 3.243 17.059 35.577 1.00 0.00 H ATOM 1274 N LEU A 84 3.303 16.340 32.477 1.00 12.54 N ATOM 1275 CA LEU A 84 4.262 16.135 31.394 1.00 12.71 C ATOM 1276 C LEU A 84 3.562 16.047 30.021 1.00 13.40 C ATOM 1277 O LEU A 84 4.252 15.972 29.007 1.00 16.08 O ATOM 1278 CB LEU A 84 5.007 14.805 31.649 1.00 14.18 C ATOM 1279 CG LEU A 84 5.675 14.677 33.038 1.00 17.81 C ATOM 1280 CD1 LEU A 84 6.265 13.275 33.200 1.00 20.67 C ATOM 1281 CD2 LEU A 84 6.757 15.738 33.269 1.00 21.32 C ATOM 1282 H LEU A 84 2.914 15.511 32.903 1.00 0.00 H ATOM 1283 HA LEU A 84 4.978 16.957 31.359 1.00 0.00 H ATOM 1284 HB3 LEU A 84 5.768 14.665 30.879 1.00 0.00 H ATOM 1285 HB2 LEU A 84 4.311 13.978 31.522 1.00 0.00 H ATOM 1286 HG LEU A 84 4.921 14.793 33.817 1.00 0.00 H ATOM 1287 HD11 LEU A 84 6.810 13.171 34.138 1.00 0.00 H ATOM 1288 HD12 LEU A 84 5.474 12.527 33.184 1.00 0.00 H ATOM 1289 HD13 LEU A 84 6.947 13.045 32.385 1.00 0.00 H ATOM 1290 HD21 LEU A 84 7.234 15.611 34.242 1.00 0.00 H ATOM 1291 HD22 LEU A 84 7.530 15.661 32.506 1.00 0.00 H ATOM 1292 HD23 LEU A 84 6.343 16.746 33.244 1.00 0.00 H ATOM 1293 N LEU A 85 2.216 16.085 29.978 1.00 12.93 N ATOM 1294 CA LEU A 85 1.399 16.075 28.761 1.00 13.54 C ATOM 1295 C LEU A 85 0.797 17.456 28.435 1.00 13.88 C ATOM 1296 O LEU A 85 -0.005 17.569 27.507 1.00 16.87 O ATOM 1297 CB LEU A 85 0.285 15.012 28.894 1.00 13.39 C ATOM 1298 CG LEU A 85 0.787 13.556 29.018 1.00 13.51 C ATOM 1299 CD1 LEU A 85 -0.410 12.604 29.170 1.00 18.29 C ATOM 1300 CD2 LEU A 85 1.670 13.131 27.829 1.00 16.82 C ATOM 1301 H LEU A 85 1.721 16.154 30.856 1.00 0.00 H ATOM 1302 HA LEU A 85 2.010 15.830 27.901 1.00 0.00 H ATOM 1303 HB3 LEU A 85 -0.375 15.064 28.026 1.00 0.00 H ATOM 1304 HB2 LEU A 85 -0.339 15.251 29.756 1.00 0.00 H ATOM 1305 HG LEU A 85 1.388 13.471 29.924 1.00 0.00 H ATOM 1306 HD11 LEU A 85 -0.092 11.568 29.269 1.00 0.00 H ATOM 1307 HD12 LEU A 85 -0.998 12.852 30.055 1.00 0.00 H ATOM 1308 HD13 LEU A 85 -1.071 12.661 28.305 1.00 0.00 H ATOM 1309 HD21 LEU A 85 1.959 12.087 27.904 1.00 0.00 H ATOM 1310 HD22 LEU A 85 1.153 13.263 26.878 1.00 0.00 H ATOM 1311 HD23 LEU A 85 2.600 13.698 27.789 1.00 0.00 H ATOM 1312 N GLN A 86 1.218 18.512 29.150 1.00 14.21 N ATOM 1313 CA GLN A 86 0.864 19.909 28.899 1.00 14.01 C ATOM 1314 C GLN A 86 1.680 20.475 27.722 1.00 14.22 C ATOM 1315 O GLN A 86 2.818 20.062 27.496 1.00 16.42 O ATOM 1316 CB GLN A 86 1.238 20.726 30.154 1.00 15.40 C ATOM 1317 CG GLN A 86 0.280 20.521 31.337 1.00 18.36 C ATOM 1318 CD GLN A 86 0.721 21.341 32.550 1.00 22.98 C ATOM 1319 OE1 GLN A 86 1.768 21.081 33.134 1.00 25.88 O ATOM 1320 NE2 GLN A 86 -0.078 22.334 32.942 1.00 27.04 N ATOM 1321 H GLN A 86 1.892 18.341 29.882 1.00 0.00 H ATOM 1322 HA GLN A 86 -0.202 20.002 28.686 1.00 0.00 H ATOM 1323 HB3 GLN A 86 1.246 21.791 29.913 1.00 0.00 H ATOM 1324 HB2 GLN A 86 2.258 20.482 30.458 1.00 0.00 H ATOM 1325 HG3 GLN A 86 0.255 19.469 31.625 1.00 0.00 H ATOM 1326 HG2 GLN A 86 -0.737 20.791 31.049 1.00 0.00 H ATOM 1327 HE22 GLN A 86 0.185 22.889 33.743 1.00 0.00 H ATOM 1328 HE21 GLN A 86 -0.937 22.524 32.447 1.00 0.00 H ATOM 1329 N ASP A 87 1.116 21.468 27.011 1.00 13.89 N ATOM 1330 CA ASP A 87 1.806 22.245 25.968 1.00 14.61 C ATOM 1331 C ASP A 87 2.911 23.149 26.547 1.00 16.13 C ATOM 1332 O ASP A 87 3.912 23.391 25.873 1.00 20.65 O ATOM 1333 CB ASP A 87 0.803 23.134 25.193 1.00 15.52 C ATOM 1334 CG ASP A 87 -0.274 22.385 24.398 1.00 15.85 C ATOM 1335 OD1 ASP A 87 -0.112 21.163 24.180 1.00 18.46 O ATOM 1336 OD2 ASP A 87 -1.224 23.071 23.967 1.00 18.72 O1- ATOM 1337 H ASP A 87 0.169 21.738 27.233 1.00 0.00 H ATOM 1338 HA ASP A 87 2.281 21.551 25.273 1.00 0.00 H ATOM 1339 HB3 ASP A 87 1.340 23.764 24.482 1.00 0.00 H ATOM 1340 HB2 ASP A 87 0.301 23.814 25.883 1.00 0.00 H ATOM 1341 N ASN A 88 2.746 23.599 27.804 1.00 15.81 N ATOM 1342 CA ASN A 88 3.759 24.285 28.601 1.00 17.79 C ATOM 1343 C ASN A 88 4.640 23.196 29.238 1.00 16.08 C ATOM 1344 O ASN A 88 4.134 22.306 29.922 1.00 19.07 O ATOM 1345 CB ASN A 88 3.031 25.085 29.709 1.00 20.11 C ATOM 1346 CG ASN A 88 3.947 26.094 30.411 1.00 22.92 C ATOM 1347 OD1 ASN A 88 4.851 25.709 31.148 1.00 26.75 O ATOM 1348 ND2 ASN A 88 3.731 27.389 30.175 1.00 44.22 N ATOM 1349 H ASN A 88 1.897 23.337 28.282 1.00 0.00 H ATOM 1350 HA ASN A 88 4.347 24.953 27.967 1.00 0.00 H ATOM 1351 HB3 ASN A 88 2.593 24.423 30.458 1.00 0.00 H ATOM 1352 HB2 ASN A 88 2.193 25.630 29.271 1.00 0.00 H ATOM 1353 HD22 ASN A 88 4.319 28.079 30.620 1.00 0.00 H ATOM 1354 HD21 ASN A 88 2.979 27.677 29.566 1.00 0.00 H ATOM 1355 N ILE A 89 5.957 23.276 28.999 1.00 12.57 N ATOM 1356 CA ILE A 89 6.934 22.252 29.376 1.00 12.70 C ATOM 1357 C ILE A 89 7.726 22.622 30.645 1.00 11.43 C ATOM 1358 O ILE A 89 8.756 22.002 30.898 1.00 12.56 O ATOM 1359 CB ILE A 89 7.877 21.970 28.167 1.00 12.99 C ATOM 1360 CG1 ILE A 89 8.761 23.170 27.741 1.00 14.29 C ATOM 1361 CG2 ILE A 89 7.076 21.401 26.980 1.00 16.72 C ATOM 1362 CD1 ILE A 89 9.884 22.778 26.770 1.00 17.23 C ATOM 1363 H ILE A 89 6.295 24.045 28.440 1.00 0.00 H ATOM 1364 HA ILE A 89 6.420 21.318 29.612 1.00 0.00 H ATOM 1365 HB ILE A 89 8.555 21.171 28.473 1.00 0.00 H ATOM 1366 HG13 ILE A 89 9.233 23.620 28.613 1.00 0.00 H ATOM 1367 HG12 ILE A 89 8.148 23.953 27.294 1.00 0.00 H ATOM 1368 HG21 ILE A 89 7.728 21.031 26.190 1.00 0.00 H ATOM 1369 HG22 ILE A 89 6.453 20.564 27.297 1.00 0.00 H ATOM 1370 HG23 ILE A 89 6.419 22.153 26.543 1.00 0.00 H ATOM 1371 HD11 ILE A 89 10.555 23.615 26.582 1.00 0.00 H ATOM 1372 HD12 ILE A 89 10.485 21.962 27.172 1.00 0.00 H ATOM 1373 HD13 ILE A 89 9.484 22.459 25.808 1.00 0.00 H ATOM 1374 N ALA A 90 7.271 23.596 31.457 1.00 12.52 N ATOM 1375 CA ALA A 90 7.948 24.042 32.682 1.00 11.88 C ATOM 1376 C ALA A 90 8.098 22.937 33.745 1.00 12.16 C ATOM 1377 O ALA A 90 9.172 22.817 34.335 1.00 12.58 O ATOM 1378 CB ALA A 90 7.200 25.244 33.276 1.00 16.43 C ATOM 1379 H ALA A 90 6.411 24.065 31.207 1.00 0.00 H ATOM 1380 HA ALA A 90 8.950 24.373 32.402 1.00 0.00 H ATOM 1381 HB1 ALA A 90 7.686 25.603 34.184 1.00 0.00 H ATOM 1382 HB2 ALA A 90 7.177 26.076 32.571 1.00 0.00 H ATOM 1383 HB3 ALA A 90 6.170 24.991 33.530 1.00 0.00 H ATOM 1384 N ASP A 91 7.061 22.101 33.943 1.00 12.34 N ATOM 1385 CA ASP A 91 7.085 20.948 34.855 1.00 13.06 C ATOM 1386 C ASP A 91 7.867 19.758 34.273 1.00 13.27 C ATOM 1387 O ASP A 91 8.474 19.009 35.039 1.00 14.41 O ATOM 1388 CB ASP A 91 5.642 20.476 35.170 1.00 16.70 C ATOM 1389 CG ASP A 91 4.798 21.483 35.960 1.00 21.64 C ATOM 1390 OD1 ASP A 91 5.395 22.309 36.685 1.00 25.67 O ATOM 1391 OD2 ASP A 91 3.557 21.388 35.851 1.00 30.98 O1- ATOM 1392 H ASP A 91 6.208 22.265 33.429 1.00 0.00 H ATOM 1393 HA ASP A 91 7.577 21.239 35.785 1.00 0.00 H ATOM 1394 HB3 ASP A 91 5.667 19.558 35.758 1.00 0.00 H ATOM 1395 HB2 ASP A 91 5.117 20.231 34.244 1.00 0.00 H ATOM 1396 N ALA A 92 7.905 19.605 32.937 1.00 12.68 N ATOM 1397 CA ALA A 92 8.696 18.583 32.249 1.00 12.92 C ATOM 1398 C ALA A 92 10.199 18.891 32.296 1.00 11.99 C ATOM 1399 O ALA A 92 10.997 17.969 32.445 1.00 13.19 O ATOM 1400 CB ALA A 92 8.237 18.482 30.785 1.00 14.28 C ATOM 1401 H ALA A 92 7.394 20.263 32.367 1.00 0.00 H ATOM 1402 HA ALA A 92 8.547 17.626 32.743 1.00 0.00 H ATOM 1403 HB1 ALA A 92 8.780 17.701 30.253 1.00 0.00 H ATOM 1404 HB2 ALA A 92 7.176 18.235 30.726 1.00 0.00 H ATOM 1405 HB3 ALA A 92 8.388 19.416 30.244 1.00 0.00 H ATOM 1406 N VAL A 93 10.574 20.180 32.231 1.00 11.60 N ATOM 1407 CA VAL A 93 11.937 20.677 32.399 1.00 11.58 C ATOM 1408 C VAL A 93 12.383 20.585 33.870 1.00 10.95 C ATOM 1409 O VAL A 93 13.528 20.213 34.112 1.00 12.78 O ATOM 1410 CB VAL A 93 12.019 22.128 31.846 1.00 12.54 C ATOM 1411 CG1 VAL A 93 13.262 22.905 32.316 1.00 15.10 C ATOM 1412 CG2 VAL A 93 11.981 22.112 30.306 1.00 14.14 C ATOM 1413 H VAL A 93 9.851 20.872 32.079 1.00 0.00 H ATOM 1414 HA VAL A 93 12.611 20.047 31.816 1.00 0.00 H ATOM 1415 HB VAL A 93 11.148 22.687 32.191 1.00 0.00 H ATOM 1416 HG11 VAL A 93 13.464 23.762 31.679 1.00 0.00 H ATOM 1417 HG12 VAL A 93 13.149 23.270 33.338 1.00 0.00 H ATOM 1418 HG13 VAL A 93 14.145 22.275 32.285 1.00 0.00 H ATOM 1419 HG21 VAL A 93 11.962 23.121 29.898 1.00 0.00 H ATOM 1420 HG22 VAL A 93 12.858 21.614 29.896 1.00 0.00 H ATOM 1421 HG23 VAL A 93 11.107 21.590 29.920 1.00 0.00 H ATOM 1422 N ALA A 94 11.498 20.863 34.845 1.00 11.32 N ATOM 1423 CA ALA A 94 11.788 20.760 36.279 1.00 14.03 C ATOM 1424 C ALA A 94 12.050 19.312 36.729 1.00 11.77 C ATOM 1425 O ALA A 94 12.896 19.084 37.595 1.00 13.70 O ATOM 1426 CB ALA A 94 10.603 21.333 37.072 1.00 15.14 C ATOM 1427 H ALA A 94 10.573 21.174 34.580 1.00 0.00 H ATOM 1428 HA ALA A 94 12.676 21.356 36.496 1.00 0.00 H ATOM 1429 HB1 ALA A 94 10.794 21.305 38.145 1.00 0.00 H ATOM 1430 HB2 ALA A 94 10.419 22.374 36.803 1.00 0.00 H ATOM 1431 HB3 ALA A 94 9.685 20.776 36.885 1.00 0.00 H ATOM 1432 N CYS A 95 11.365 18.338 36.105 1.00 11.92 N ATOM 1433 CA CYS A 95 11.549 16.912 36.353 1.00 11.46 C ATOM 1434 C CYS A 95 12.729 16.342 35.547 1.00 10.97 C ATOM 1435 O CYS A 95 13.412 15.459 36.056 1.00 12.53 O ATOM 1436 CB CYS A 95 10.249 16.184 35.977 1.00 12.67 C ATOM 1437 SG CYS A 95 10.185 14.394 36.289 1.00 13.56 S ATOM 1438 H CYS A 95 10.676 18.607 35.416 1.00 0.00 H ATOM 1439 HA CYS A 95 11.741 16.764 37.416 1.00 0.00 H ATOM 1440 HB3 CYS A 95 10.005 16.352 34.927 1.00 0.00 H ATOM 1441 HB2 CYS A 95 9.442 16.636 36.548 1.00 0.00 H ATOM 1442 N ALA A 96 13.027 16.869 34.345 1.00 10.42 N ATOM 1443 CA ALA A 96 14.213 16.503 33.562 1.00 11.09 C ATOM 1444 C ALA A 96 15.511 16.993 34.227 1.00 11.76 C ATOM 1445 O ALA A 96 16.528 16.307 34.145 1.00 13.14 O ATOM 1446 CB ALA A 96 14.108 17.109 32.156 1.00 13.08 C ATOM 1447 H ALA A 96 12.421 17.581 33.962 1.00 0.00 H ATOM 1448 HA ALA A 96 14.254 15.416 33.473 1.00 0.00 H ATOM 1449 HB1 ALA A 96 14.978 16.856 31.549 1.00 0.00 H ATOM 1450 HB2 ALA A 96 13.234 16.726 31.633 1.00 0.00 H ATOM 1451 HB3 ALA A 96 14.030 18.195 32.189 1.00 0.00 H ATOM 1452 N LYS A 97 15.454 18.131 34.944 1.00 11.55 N ATOM 1453 CA LYS A 97 16.515 18.646 35.807 1.00 11.67 C ATOM 1454 C LYS A 97 16.748 17.730 37.019 1.00 11.49 C ATOM 1455 O LYS A 97 17.901 17.460 37.345 1.00 14.28 O ATOM 1456 CB LYS A 97 16.149 20.061 36.291 1.00 12.72 C ATOM 1457 CG LYS A 97 16.418 21.153 35.245 1.00 12.67 C ATOM 1458 CD LYS A 97 16.004 22.536 35.756 1.00 13.88 C ATOM 1459 CE LYS A 97 16.281 23.651 34.744 1.00 14.34 C ATOM 1460 NZ LYS A 97 15.905 24.959 35.302 1.00 16.93 N1+ ATOM 1461 H LYS A 97 14.587 18.651 34.927 1.00 0.00 H ATOM 1462 HA LYS A 97 17.440 18.701 35.233 1.00 0.00 H ATOM 1463 HB3 LYS A 97 16.728 20.308 37.182 1.00 0.00 H ATOM 1464 HB2 LYS A 97 15.105 20.094 36.601 1.00 0.00 H ATOM 1465 HG3 LYS A 97 15.895 20.928 34.318 1.00 0.00 H ATOM 1466 HG2 LYS A 97 17.475 21.163 34.986 1.00 0.00 H ATOM 1467 HD3 LYS A 97 16.535 22.748 36.685 1.00 0.00 H ATOM 1468 HD2 LYS A 97 14.941 22.524 36.001 1.00 0.00 H ATOM 1469 HE3 LYS A 97 15.714 23.483 33.828 1.00 0.00 H ATOM 1470 HE2 LYS A 97 17.336 23.674 34.467 1.00 0.00 H ATOM 1471 HZ1 LYS A 97 15.992 25.661 34.577 1.00 0.00 H ATOM 1472 HZ2 LYS A 97 14.945 24.931 35.613 1.00 0.00 H ATOM 1473 HZ3 LYS A 97 16.509 25.191 36.077 1.00 0.00 H ATOM 1474 N ARG A 98 15.674 17.214 37.649 1.00 12.01 N ATOM 1475 CA ARG A 98 15.731 16.235 38.739 1.00 12.87 C ATOM 1476 C ARG A 98 16.376 14.904 38.309 1.00 12.26 C ATOM 1477 O ARG A 98 17.183 14.372 39.069 1.00 14.55 O ATOM 1478 CB ARG A 98 14.318 16.029 39.345 1.00 13.46 C ATOM 1479 CG ARG A 98 14.161 14.872 40.358 1.00 14.92 C ATOM 1480 CD ARG A 98 15.007 15.024 41.632 1.00 17.52 C ATOM 1481 NE ARG A 98 15.047 13.774 42.407 1.00 17.98 N ATOM 1482 CZ ARG A 98 16.023 12.847 42.369 1.00 18.76 C ATOM 1483 NH1 ARG A 98 17.057 12.948 41.526 1.00 21.63 N ATOM 1484 NH2 ARG A 98 15.965 11.789 43.185 1.00 21.98 N1+ ATOM 1485 H ARG A 98 14.757 17.478 37.314 1.00 0.00 H ATOM 1486 HA ARG A 98 16.372 16.662 39.511 1.00 0.00 H ATOM 1487 HB3 ARG A 98 13.607 15.850 38.542 1.00 0.00 H ATOM 1488 HB2 ARG A 98 13.993 16.958 39.813 1.00 0.00 H ATOM 1489 HG3 ARG A 98 14.369 13.915 39.878 1.00 0.00 H ATOM 1490 HG2 ARG A 98 13.112 14.814 40.648 1.00 0.00 H ATOM 1491 HD3 ARG A 98 14.577 15.804 42.261 1.00 0.00 H ATOM 1492 HD2 ARG A 98 16.024 15.340 41.406 1.00 0.00 H ATOM 1493 HE ARG A 98 14.256 13.615 43.016 1.00 0.00 H ATOM 1494 HH12 ARG A 98 17.804 12.250 41.525 1.00 0.00 H ATOM 1495 HH11 ARG A 98 17.092 13.686 40.834 1.00 0.00 H ATOM 1496 HH22 ARG A 98 16.693 11.087 43.147 1.00 0.00 H ATOM 1497 HH21 ARG A 98 15.203 11.678 43.838 1.00 0.00 H ATOM 1498 N VAL A 99 16.061 14.395 37.101 1.00 11.86 N ATOM 1499 CA VAL A 99 16.633 13.175 36.513 1.00 12.33 C ATOM 1500 C VAL A 99 18.169 13.240 36.435 1.00 12.78 C ATOM 1501 O VAL A 99 18.841 12.296 36.849 1.00 14.35 O ATOM 1502 CB VAL A 99 15.997 12.882 35.121 1.00 12.64 C ATOM 1503 CG1 VAL A 99 16.693 11.741 34.346 1.00 14.52 C ATOM 1504 CG2 VAL A 99 14.492 12.569 35.206 1.00 14.42 C ATOM 1505 H VAL A 99 15.374 14.888 36.547 1.00 0.00 H ATOM 1506 HA VAL A 99 16.385 12.350 37.178 1.00 0.00 H ATOM 1507 HB VAL A 99 16.098 13.784 34.520 1.00 0.00 H ATOM 1508 HG11 VAL A 99 16.142 11.485 33.441 1.00 0.00 H ATOM 1509 HG12 VAL A 99 17.702 12.011 34.032 1.00 0.00 H ATOM 1510 HG13 VAL A 99 16.759 10.836 34.951 1.00 0.00 H ATOM 1511 HG21 VAL A 99 13.979 12.871 34.293 1.00 0.00 H ATOM 1512 HG22 VAL A 99 14.325 11.502 35.321 1.00 0.00 H ATOM 1513 HG23 VAL A 99 14.001 13.055 36.045 1.00 0.00 H ATOM 1514 N VAL A 100 18.712 14.358 35.925 1.00 13.05 N ATOM 1515 CA VAL A 100 20.144 14.521 35.685 1.00 12.65 C ATOM 1516 C VAL A 100 20.926 14.984 36.930 1.00 14.23 C ATOM 1517 O VAL A 100 22.152 15.025 36.853 1.00 17.68 O ATOM 1518 CB VAL A 100 20.380 15.482 34.490 1.00 12.79 C ATOM 1519 CG1 VAL A 100 19.714 14.941 33.214 1.00 14.07 C ATOM 1520 CG2 VAL A 100 19.962 16.941 34.739 1.00 14.57 C ATOM 1521 H VAL A 100 18.098 15.100 35.619 1.00 0.00 H ATOM 1522 HA VAL A 100 20.555 13.548 35.409 1.00 0.00 H ATOM 1523 HB VAL A 100 21.453 15.492 34.296 1.00 0.00 H ATOM 1524 HG11 VAL A 100 20.029 15.494 32.332 1.00 0.00 H ATOM 1525 HG12 VAL A 100 19.963 13.897 33.048 1.00 0.00 H ATOM 1526 HG13 VAL A 100 18.628 14.999 33.271 1.00 0.00 H ATOM 1527 HG21 VAL A 100 20.196 17.566 33.879 1.00 0.00 H ATOM 1528 HG22 VAL A 100 18.894 17.013 34.913 1.00 0.00 H ATOM 1529 HG23 VAL A 100 20.470 17.374 35.597 1.00 0.00 H ATOM 1530 N ARG A 101 20.267 15.274 38.072 1.00 15.12 N ATOM 1531 CA ARG A 101 20.930 15.489 39.368 1.00 17.78 C ATOM 1532 C ARG A 101 21.407 14.175 40.018 1.00 20.08 C ATOM 1533 O ARG A 101 22.267 14.234 40.897 1.00 23.74 O ATOM 1534 CB ARG A 101 20.012 16.246 40.355 1.00 18.42 C ATOM 1535 CG ARG A 101 19.953 17.760 40.075 1.00 18.87 C ATOM 1536 CD ARG A 101 19.425 18.598 41.248 1.00 18.67 C ATOM 1537 NE ARG A 101 18.055 18.238 41.643 1.00 20.24 N ATOM 1538 CZ ARG A 101 16.918 18.759 41.150 1.00 16.31 C ATOM 1539 NH1 ARG A 101 16.921 19.610 40.115 1.00 19.85 N ATOM 1540 NH2 ARG A 101 15.750 18.421 41.709 1.00 21.13 N1+ ATOM 1541 H ARG A 101 19.257 15.229 38.066 1.00 0.00 H ATOM 1542 HA ARG A 101 21.823 16.090 39.214 1.00 0.00 H ATOM 1543 HB3 ARG A 101 20.390 16.118 41.371 1.00 0.00 H ATOM 1544 HB2 ARG A 101 19.009 15.821 40.357 1.00 0.00 H ATOM 1545 HG3 ARG A 101 19.372 17.966 39.183 1.00 0.00 H ATOM 1546 HG2 ARG A 101 20.958 18.120 39.850 1.00 0.00 H ATOM 1547 HD3 ARG A 101 19.470 19.660 41.010 1.00 0.00 H ATOM 1548 HD2 ARG A 101 20.072 18.458 42.115 1.00 0.00 H ATOM 1549 HE ARG A 101 17.987 17.561 42.390 1.00 0.00 H ATOM 1550 HH12 ARG A 101 16.057 19.991 39.759 1.00 0.00 H ATOM 1551 HH11 ARG A 101 17.794 19.863 39.667 1.00 0.00 H ATOM 1552 HH22 ARG A 101 14.885 18.809 41.359 1.00 0.00 H ATOM 1553 HH21 ARG A 101 15.726 17.811 42.513 1.00 0.00 H ATOM 1554 N ASP A 102 20.935 13.003 39.552 1.00 17.13 N ATOM 1555 CA ASP A 102 21.527 11.699 39.875 1.00 18.60 C ATOM 1556 C ASP A 102 22.850 11.508 39.094 1.00 18.33 C ATOM 1557 O ASP A 102 22.997 12.100 38.022 1.00 17.88 O ATOM 1558 CB ASP A 102 20.553 10.550 39.512 1.00 25.63 C ATOM 1559 CG ASP A 102 19.376 10.373 40.479 1.00 29.45 C ATOM 1560 OD1 ASP A 102 19.199 11.224 41.379 1.00 31.08 O ATOM 1561 OD2 ASP A 102 18.673 9.354 40.318 1.00 39.39 O1- ATOM 1562 H ASP A 102 20.228 13.021 38.831 1.00 0.00 H ATOM 1563 HA ASP A 102 21.719 11.686 40.947 1.00 0.00 H ATOM 1564 HB3 ASP A 102 21.081 9.596 39.488 1.00 0.00 H ATOM 1565 HB2 ASP A 102 20.158 10.691 38.505 1.00 0.00 H ATOM 1566 N PRO A 103 23.815 10.706 39.617 1.00 21.13 N ATOM 1567 CA PRO A 103 25.160 10.483 39.041 1.00 24.39 C ATOM 1568 C PRO A 103 25.247 10.155 37.541 1.00 20.09 C ATOM 1569 O PRO A 103 26.219 10.541 36.893 1.00 18.73 O ATOM 1570 CB PRO A 103 25.751 9.315 39.844 1.00 27.01 C ATOM 1571 CG PRO A 103 25.064 9.386 41.191 1.00 27.24 C ATOM 1572 CD PRO A 103 23.697 9.999 40.899 1.00 23.20 C ATOM 1573 HA PRO A 103 25.743 11.385 39.235 1.00 0.00 H ATOM 1574 HB3 PRO A 103 26.837 9.374 39.929 1.00 0.00 H ATOM 1575 HB2 PRO A 103 25.511 8.355 39.381 1.00 0.00 H ATOM 1576 HG3 PRO A 103 25.628 10.053 41.845 1.00 0.00 H ATOM 1577 HG2 PRO A 103 24.997 8.417 41.686 1.00 0.00 H ATOM 1578 HD2 PRO A 103 22.945 9.214 40.816 1.00 0.00 H ATOM 1579 HD3 PRO A 103 23.418 10.657 41.722 1.00 0.00 H ATOM 1580 N GLN A 104 24.237 9.453 37.002 1.00 18.34 N ATOM 1581 CA GLN A 104 24.165 8.982 35.620 1.00 21.23 C ATOM 1582 C GLN A 104 24.034 10.139 34.607 1.00 17.94 C ATOM 1583 O GLN A 104 24.529 10.032 33.485 1.00 18.00 O ATOM 1584 CB GLN A 104 22.953 8.026 35.524 1.00 24.12 C ATOM 1585 CG GLN A 104 23.133 6.912 34.474 1.00 47.13 C ATOM 1586 CD GLN A 104 21.966 5.924 34.355 1.00 47.32 C ATOM 1587 OE1 GLN A 104 22.055 4.972 33.585 1.00 60.39 O ATOM 1588 NE2 GLN A 104 20.870 6.124 35.093 1.00 62.61 N ATOM 1589 H GLN A 104 23.477 9.188 37.611 1.00 0.00 H ATOM 1590 HA GLN A 104 25.086 8.432 35.412 1.00 0.00 H ATOM 1591 HB3 GLN A 104 22.040 8.593 35.330 1.00 0.00 H ATOM 1592 HB2 GLN A 104 22.800 7.542 36.491 1.00 0.00 H ATOM 1593 HG3 GLN A 104 24.035 6.340 34.696 1.00 0.00 H ATOM 1594 HG2 GLN A 104 23.280 7.356 33.493 1.00 0.00 H ATOM 1595 HE22 GLN A 104 20.099 5.476 35.025 1.00 0.00 H ATOM 1596 HE21 GLN A 104 20.817 6.913 35.720 1.00 0.00 H ATOM 1597 N GLY A 105 23.401 11.255 35.012 1.00 16.59 N ATOM 1598 CA GLY A 105 23.161 12.425 34.177 1.00 17.91 C ATOM 1599 C GLY A 105 22.123 12.130 33.091 1.00 15.90 C ATOM 1600 O GLY A 105 21.125 11.454 33.347 1.00 17.09 O ATOM 1601 H GLY A 105 23.051 11.287 35.960 1.00 0.00 H ATOM 1602 HA3 GLY A 105 24.100 12.760 33.733 1.00 0.00 H ATOM 1603 HA2 GLY A 105 22.802 13.239 34.805 1.00 0.00 H ATOM 1604 N ILE A 106 22.373 12.637 31.874 1.00 15.81 N ATOM 1605 CA ILE A 106 21.537 12.441 30.686 1.00 17.11 C ATOM 1606 C ILE A 106 21.654 11.019 30.076 1.00 15.80 C ATOM 1607 O ILE A 106 20.873 10.676 29.189 1.00 16.82 O ATOM 1608 CB ILE A 106 21.877 13.558 29.658 1.00 17.55 C ATOM 1609 CG1 ILE A 106 20.840 13.640 28.514 1.00 19.14 C ATOM 1610 CG2 ILE A 106 23.323 13.478 29.121 1.00 21.03 C ATOM 1611 CD1 ILE A 106 20.763 15.008 27.827 1.00 17.90 C ATOM 1612 H ILE A 106 23.210 13.188 31.752 1.00 0.00 H ATOM 1613 HA ILE A 106 20.499 12.570 30.997 1.00 0.00 H ATOM 1614 HB ILE A 106 21.795 14.498 30.202 1.00 0.00 H ATOM 1615 HG13 ILE A 106 19.848 13.420 28.906 1.00 0.00 H ATOM 1616 HG12 ILE A 106 21.042 12.872 27.770 1.00 0.00 H ATOM 1617 HG21 ILE A 106 23.546 14.309 28.452 1.00 0.00 H ATOM 1618 HG22 ILE A 106 24.054 13.518 29.928 1.00 0.00 H ATOM 1619 HG23 ILE A 106 23.497 12.557 28.567 1.00 0.00 H ATOM 1620 HD11 ILE A 106 20.050 14.987 27.002 1.00 0.00 H ATOM 1621 HD12 ILE A 106 20.427 15.774 28.525 1.00 0.00 H ATOM 1622 HD13 ILE A 106 21.725 15.312 27.418 1.00 0.00 H ATOM 1623 N ARG A 107 22.557 10.158 30.587 1.00 16.58 N ATOM 1624 CA ARG A 107 22.641 8.735 30.231 1.00 17.13 C ATOM 1625 C ARG A 107 21.520 7.899 30.875 1.00 20.36 C ATOM 1626 O ARG A 107 21.403 6.722 30.546 1.00 21.86 O ATOM 1627 CB ARG A 107 23.998 8.151 30.678 1.00 18.94 C ATOM 1628 CG ARG A 107 25.172 8.723 29.884 1.00 23.89 C ATOM 1629 CD ARG A 107 26.541 8.382 30.482 1.00 39.98 C ATOM 1630 NE ARG A 107 27.550 9.282 29.913 1.00 47.72 N ATOM 1631 CZ ARG A 107 27.730 10.563 30.280 1.00 67.00 C ATOM 1632 NH1 ARG A 107 27.057 11.104 31.308 1.00 74.07 N ATOM 1633 NH2 ARG A 107 28.593 11.320 29.593 1.00 64.71 N1+ ATOM 1634 H ARG A 107 23.158 10.486 31.330 1.00 0.00 H ATOM 1635 HA ARG A 107 22.551 8.628 29.148 1.00 0.00 H ATOM 1636 HB3 ARG A 107 24.012 7.065 30.566 1.00 0.00 H ATOM 1637 HB2 ARG A 107 24.147 8.343 31.735 1.00 0.00 H ATOM 1638 HG3 ARG A 107 25.071 9.806 29.809 1.00 0.00 H ATOM 1639 HG2 ARG A 107 25.119 8.343 28.863 1.00 0.00 H ATOM 1640 HD3 ARG A 107 26.805 7.347 30.262 1.00 0.00 H ATOM 1641 HD2 ARG A 107 26.539 8.486 31.568 1.00 0.00 H ATOM 1642 HE ARG A 107 28.074 8.922 29.129 1.00 0.00 H ATOM 1643 HH12 ARG A 107 27.208 12.066 31.574 1.00 0.00 H ATOM 1644 HH11 ARG A 107 26.407 10.542 31.841 1.00 0.00 H ATOM 1645 HH22 ARG A 107 28.744 12.285 29.851 1.00 0.00 H ATOM 1646 HH21 ARG A 107 29.114 10.932 28.820 1.00 0.00 H ATOM 1647 N ALA A 108 20.664 8.490 31.729 1.00 18.54 N ATOM 1648 CA ALA A 108 19.431 7.889 32.246 1.00 21.58 C ATOM 1649 C ALA A 108 18.441 7.492 31.134 1.00 18.41 C ATOM 1650 O ALA A 108 17.741 6.490 31.270 1.00 24.26 O ATOM 1651 CB ALA A 108 18.776 8.874 33.225 1.00 25.52 C ATOM 1652 H ALA A 108 20.827 9.460 31.962 1.00 0.00 H ATOM 1653 HA ALA A 108 19.695 6.981 32.785 1.00 0.00 H ATOM 1654 HB1 ALA A 108 17.860 8.463 33.651 1.00 0.00 H ATOM 1655 HB2 ALA A 108 19.446 9.105 34.054 1.00 0.00 H ATOM 1656 HB3 ALA A 108 18.521 9.815 32.734 1.00 0.00 H ATOM 1657 N TRP A 109 18.441 8.241 30.020 1.00 16.15 N ATOM 1658 CA TRP A 109 17.739 7.917 28.784 1.00 16.79 C ATOM 1659 C TRP A 109 18.710 7.185 27.846 1.00 15.57 C ATOM 1660 O TRP A 109 19.772 7.711 27.508 1.00 17.44 O ATOM 1661 CB TRP A 109 17.320 9.239 28.122 1.00 14.21 C ATOM 1662 CG TRP A 109 16.287 10.026 28.874 1.00 14.22 C ATOM 1663 CD1 TRP A 109 14.955 9.797 28.842 1.00 17.01 C ATOM 1664 CD2 TRP A 109 16.469 11.192 29.734 1.00 13.07 C ATOM 1665 NE1 TRP A 109 14.305 10.736 29.615 1.00 16.16 N ATOM 1666 CE2 TRP A 109 15.184 11.642 30.169 1.00 14.95 C ATOM 1667 CE3 TRP A 109 17.588 11.935 30.175 1.00 14.74 C ATOM 1668 CZ2 TRP A 109 15.018 12.783 30.974 1.00 16.94 C ATOM 1669 CZ3 TRP A 109 17.434 13.081 30.979 1.00 14.74 C ATOM 1670 CH2 TRP A 109 16.153 13.510 31.376 1.00 16.52 C ATOM 1671 H TRP A 109 19.059 9.039 29.990 1.00 0.00 H ATOM 1672 HA TRP A 109 16.856 7.304 28.975 1.00 0.00 H ATOM 1673 HB3 TRP A 109 16.918 9.032 27.131 1.00 0.00 H ATOM 1674 HB2 TRP A 109 18.185 9.884 27.957 1.00 0.00 H ATOM 1675 HD1 TRP A 109 14.481 9.007 28.278 1.00 0.00 H ATOM 1676 HE1 TRP A 109 13.297 10.769 29.678 1.00 0.00 H ATOM 1677 HE3 TRP A 109 18.573 11.626 29.867 1.00 0.00 H ATOM 1678 HZ2 TRP A 109 14.031 13.102 31.276 1.00 0.00 H ATOM 1679 HZ3 TRP A 109 18.306 13.641 31.279 1.00 0.00 H ATOM 1680 HH2 TRP A 109 16.044 14.391 31.990 1.00 0.00 H ATOM 1681 N VAL A 110 18.331 5.967 27.420 1.00 18.17 N ATOM 1682 CA VAL A 110 19.124 5.111 26.530 1.00 20.77 C ATOM 1683 C VAL A 110 19.149 5.637 25.083 1.00 18.43 C ATOM 1684 O VAL A 110 20.109 5.359 24.366 1.00 20.67 O ATOM 1685 CB VAL A 110 18.588 3.652 26.555 1.00 28.20 C ATOM 1686 CG1 VAL A 110 18.657 3.049 27.968 1.00 32.48 C ATOM 1687 CG2 VAL A 110 17.179 3.467 25.955 1.00 32.96 C ATOM 1688 H VAL A 110 17.447 5.600 27.743 1.00 0.00 H ATOM 1689 HA VAL A 110 20.152 5.103 26.895 1.00 0.00 H ATOM 1690 HB VAL A 110 19.265 3.056 25.940 1.00 0.00 H ATOM 1691 HG11 VAL A 110 18.400 1.989 27.955 1.00 0.00 H ATOM 1692 HG12 VAL A 110 19.661 3.136 28.384 1.00 0.00 H ATOM 1693 HG13 VAL A 110 17.969 3.544 28.654 1.00 0.00 H ATOM 1694 HG21 VAL A 110 16.860 2.427 26.027 1.00 0.00 H ATOM 1695 HG22 VAL A 110 16.438 4.072 26.479 1.00 0.00 H ATOM 1696 HG23 VAL A 110 17.141 3.734 24.899 1.00 0.00 H ATOM 1697 N ALA A 111 18.135 6.419 24.665 1.00 18.39 N ATOM 1698 CA ALA A 111 18.047 7.026 23.336 1.00 20.08 C ATOM 1699 C ALA A 111 19.125 8.097 23.123 1.00 17.47 C ATOM 1700 O ALA A 111 19.592 8.251 21.998 1.00 19.35 O ATOM 1701 CB ALA A 111 16.666 7.671 23.154 1.00 21.74 C ATOM 1702 H ALA A 111 17.383 6.615 25.311 1.00 0.00 H ATOM 1703 HA ALA A 111 18.173 6.241 22.588 1.00 0.00 H ATOM 1704 HB1 ALA A 111 16.520 8.006 22.126 1.00 0.00 H ATOM 1705 HB2 ALA A 111 15.863 6.970 23.386 1.00 0.00 H ATOM 1706 HB3 ALA A 111 16.550 8.542 23.797 1.00 0.00 H ATOM 1707 N TRP A 112 19.567 8.781 24.195 1.00 16.39 N ATOM 1708 CA TRP A 112 20.697 9.706 24.158 1.00 14.27 C ATOM 1709 C TRP A 112 22.031 8.959 23.967 1.00 14.94 C ATOM 1710 O TRP A 112 22.896 9.465 23.258 1.00 14.58 O ATOM 1711 CB TRP A 112 20.742 10.545 25.452 1.00 14.56 C ATOM 1712 CG TRP A 112 21.820 11.590 25.468 1.00 15.83 C ATOM 1713 CD1 TRP A 112 21.703 12.849 24.989 1.00 15.71 C ATOM 1714 CD2 TRP A 112 23.201 11.461 25.928 1.00 15.54 C ATOM 1715 NE1 TRP A 112 22.923 13.488 25.073 1.00 15.81 N ATOM 1716 CE2 TRP A 112 23.889 12.677 25.631 1.00 16.34 C ATOM 1717 CE3 TRP A 112 23.952 10.434 26.548 1.00 16.24 C ATOM 1718 CZ2 TRP A 112 25.255 12.855 25.909 1.00 19.60 C ATOM 1719 CZ3 TRP A 112 25.319 10.608 26.845 1.00 19.22 C ATOM 1720 CH2 TRP A 112 25.973 11.812 26.520 1.00 21.44 C ATOM 1721 H TRP A 112 19.144 8.595 25.094 1.00 0.00 H ATOM 1722 HA TRP A 112 20.557 10.383 23.314 1.00 0.00 H ATOM 1723 HB3 TRP A 112 20.858 9.910 26.331 1.00 0.00 H ATOM 1724 HB2 TRP A 112 19.788 11.056 25.571 1.00 0.00 H ATOM 1725 HD1 TRP A 112 20.803 13.259 24.554 1.00 0.00 H ATOM 1726 HE1 TRP A 112 23.078 14.425 24.727 1.00 0.00 H ATOM 1727 HE3 TRP A 112 23.471 9.497 26.789 1.00 0.00 H ATOM 1728 HZ2 TRP A 112 25.747 13.785 25.663 1.00 0.00 H ATOM 1729 HZ3 TRP A 112 25.878 9.809 27.304 1.00 0.00 H ATOM 1730 HH2 TRP A 112 27.023 11.934 26.741 1.00 0.00 H ATOM 1731 N ARG A 113 22.197 7.753 24.539 1.00 15.14 N ATOM 1732 CA ARG A 113 23.403 6.937 24.353 1.00 16.43 C ATOM 1733 C ARG A 113 23.518 6.425 22.906 1.00 17.09 C ATOM 1734 O ARG A 113 24.622 6.354 22.367 1.00 18.84 O ATOM 1735 CB ARG A 113 23.384 5.707 25.279 1.00 19.05 C ATOM 1736 CG ARG A 113 23.208 5.997 26.776 1.00 21.06 C ATOM 1737 CD ARG A 113 23.359 4.702 27.589 1.00 31.33 C ATOM 1738 NE ARG A 113 22.610 4.743 28.849 1.00 32.96 N ATOM 1739 CZ ARG A 113 22.257 3.676 29.587 1.00 39.44 C ATOM 1740 NH1 ARG A 113 22.575 2.428 29.216 1.00 48.10 N ATOM 1741 NH2 ARG A 113 21.571 3.863 30.720 1.00 49.31 N1+ ATOM 1742 H ARG A 113 21.445 7.368 25.091 1.00 0.00 H ATOM 1743 HA ARG A 113 24.275 7.545 24.591 1.00 0.00 H ATOM 1744 HB3 ARG A 113 24.323 5.166 25.145 1.00 0.00 H ATOM 1745 HB2 ARG A 113 22.602 5.015 24.964 1.00 0.00 H ATOM 1746 HG3 ARG A 113 22.233 6.451 26.958 1.00 0.00 H ATOM 1747 HG2 ARG A 113 23.955 6.723 27.101 1.00 0.00 H ATOM 1748 HD3 ARG A 113 24.410 4.486 27.784 1.00 0.00 H ATOM 1749 HD2 ARG A 113 22.966 3.866 27.009 1.00 0.00 H ATOM 1750 HE ARG A 113 22.346 5.658 29.194 1.00 0.00 H ATOM 1751 HH12 ARG A 113 22.303 1.638 29.782 1.00 0.00 H ATOM 1752 HH11 ARG A 113 23.094 2.272 28.364 1.00 0.00 H ATOM 1753 HH22 ARG A 113 21.305 3.086 31.306 1.00 0.00 H ATOM 1754 HH21 ARG A 113 21.341 4.806 31.014 1.00 0.00 H ATOM 1755 N ASN A 114 22.374 6.091 22.286 1.00 15.91 N ATOM 1756 CA ASN A 114 22.284 5.523 20.943 1.00 17.99 C ATOM 1757 C ASN A 114 22.420 6.603 19.855 1.00 15.89 C ATOM 1758 O ASN A 114 23.052 6.337 18.835 1.00 20.21 O ATOM 1759 CB ASN A 114 20.901 4.845 20.753 1.00 22.77 C ATOM 1760 CG ASN A 114 20.617 3.656 21.681 1.00 26.98 C ATOM 1761 OD1 ASN A 114 21.513 3.111 22.322 1.00 28.93 O ATOM 1762 ND2 ASN A 114 19.345 3.262 21.774 1.00 33.78 N ATOM 1763 H ASN A 114 21.514 6.173 22.810 1.00 0.00 H ATOM 1764 HA ASN A 114 23.076 4.784 20.804 1.00 0.00 H ATOM 1765 HB3 ASN A 114 20.803 4.484 19.727 1.00 0.00 H ATOM 1766 HB2 ASN A 114 20.107 5.580 20.898 1.00 0.00 H ATOM 1767 HD22 ASN A 114 19.110 2.492 22.383 1.00 0.00 H ATOM 1768 HD21 ASN A 114 18.625 3.731 21.245 1.00 0.00 H ATOM 1769 N ARG A 115 21.815 7.789 20.050 1.00 16.64 N ATOM 1770 CA ARG A 115 21.603 8.795 19.003 1.00 17.38 C ATOM 1771 C ARG A 115 22.409 10.091 19.182 1.00 17.46 C ATOM 1772 O ARG A 115 22.422 10.889 18.246 1.00 20.36 O ATOM 1773 CB ARG A 115 20.109 9.193 18.985 1.00 18.38 C ATOM 1774 CG ARG A 115 19.121 8.052 18.698 1.00 24.94 C ATOM 1775 CD ARG A 115 19.135 7.623 17.227 1.00 30.28 C ATOM 1776 NE ARG A 115 18.093 6.626 16.953 1.00 32.22 N ATOM 1777 CZ ARG A 115 17.661 6.270 15.732 1.00 32.89 C ATOM 1778 NH1 ARG A 115 18.153 6.843 14.624 1.00 35.05 N ATOM 1779 NH2 ARG A 115 16.723 5.322 15.620 1.00 36.35 N1+ ATOM 1780 H ARG A 115 21.324 7.933 20.923 1.00 0.00 H ATOM 1781 HA ARG A 115 21.867 8.393 18.024 1.00 0.00 H ATOM 1782 HB3 ARG A 115 19.953 9.964 18.232 1.00 0.00 H ATOM 1783 HB2 ARG A 115 19.844 9.666 19.931 1.00 0.00 H ATOM 1784 HG3 ARG A 115 18.118 8.389 18.953 1.00 0.00 H ATOM 1785 HG2 ARG A 115 19.314 7.196 19.344 1.00 0.00 H ATOM 1786 HD3 ARG A 115 20.103 7.203 16.955 1.00 0.00 H ATOM 1787 HD2 ARG A 115 18.967 8.494 16.593 1.00 0.00 H ATOM 1788 HE ARG A 115 17.705 6.158 17.759 1.00 0.00 H ATOM 1789 HH12 ARG A 115 17.823 6.568 13.710 1.00 0.00 H ATOM 1790 HH11 ARG A 115 18.851 7.568 14.701 1.00 0.00 H ATOM 1791 HH22 ARG A 115 16.386 5.040 14.710 1.00 0.00 H ATOM 1792 HH21 ARG A 115 16.338 4.882 16.443 1.00 0.00 H ATOM 1793 N CYS A 116 23.023 10.344 20.352 1.00 15.08 N ATOM 1794 CA CYS A 116 23.572 11.660 20.719 1.00 14.67 C ATOM 1795 C CYS A 116 24.996 11.594 21.275 1.00 16.40 C ATOM 1796 O CYS A 116 25.791 12.493 20.998 1.00 18.54 O ATOM 1797 CB CYS A 116 22.627 12.380 21.702 1.00 14.17 C ATOM 1798 SG CYS A 116 20.891 12.484 21.198 1.00 14.27 S ATOM 1799 H CYS A 116 22.966 9.649 21.084 1.00 0.00 H ATOM 1800 HA CYS A 116 23.641 12.288 19.829 1.00 0.00 H ATOM 1801 HB3 CYS A 116 22.985 13.391 21.900 1.00 0.00 H ATOM 1802 HB2 CYS A 116 22.648 11.868 22.659 1.00 0.00 H ATOM 1803 N GLN A 117 25.320 10.551 22.058 1.00 16.23 N ATOM 1804 CA GLN A 117 26.604 10.385 22.733 1.00 18.20 C ATOM 1805 C GLN A 117 27.702 10.054 21.715 1.00 20.42 C ATOM 1806 O GLN A 117 27.549 9.134 20.911 1.00 20.59 O ATOM 1807 CB GLN A 117 26.488 9.242 23.761 1.00 19.87 C ATOM 1808 CG GLN A 117 27.743 9.095 24.649 1.00 23.21 C ATOM 1809 CD GLN A 117 27.650 7.982 25.694 1.00 24.24 C ATOM 1810 OE1 GLN A 117 26.710 7.191 25.713 1.00 33.47 O ATOM 1811 NE2 GLN A 117 28.646 7.921 26.581 1.00 37.16 N ATOM 1812 H GLN A 117 24.606 9.863 22.257 1.00 0.00 H ATOM 1813 HA GLN A 117 26.842 11.314 23.257 1.00 0.00 H ATOM 1814 HB3 GLN A 117 26.288 8.301 23.247 1.00 0.00 H ATOM 1815 HB2 GLN A 117 25.621 9.429 24.392 1.00 0.00 H ATOM 1816 HG3 GLN A 117 27.939 10.038 25.161 1.00 0.00 H ATOM 1817 HG2 GLN A 117 28.617 8.889 24.039 1.00 0.00 H ATOM 1818 HE22 GLN A 117 28.651 7.182 27.268 1.00 0.00 H ATOM 1819 HE21 GLN A 117 29.418 8.568 26.518 1.00 0.00 H ATOM 1820 N ASN A 118 28.794 10.834 21.757 1.00 23.71 N ATOM 1821 CA ASN A 118 29.993 10.715 20.917 1.00 28.55 C ATOM 1822 C ASN A 118 29.753 11.145 19.455 1.00 27.64 C ATOM 1823 O ASN A 118 30.561 10.829 18.583 1.00 33.21 O ATOM 1824 CB ASN A 118 30.703 9.339 21.046 1.00 34.02 C ATOM 1825 CG ASN A 118 31.112 8.980 22.480 1.00 36.99 C ATOM 1826 OD1 ASN A 118 31.684 9.800 23.195 1.00 41.09 O ATOM 1827 ND2 ASN A 118 30.788 7.762 22.918 1.00 45.69 N ATOM 1828 H ASN A 118 28.807 11.573 22.444 1.00 0.00 H ATOM 1829 HA ASN A 118 30.681 11.468 21.305 1.00 0.00 H ATOM 1830 HB3 ASN A 118 31.617 9.336 20.451 1.00 0.00 H ATOM 1831 HB2 ASN A 118 30.078 8.548 20.630 1.00 0.00 H ATOM 1832 HD22 ASN A 118 31.039 7.486 23.856 1.00 0.00 H ATOM 1833 HD21 ASN A 118 30.306 7.117 22.308 1.00 0.00 H ATOM 1834 N ARG A 119 28.643 11.853 19.191 1.00 26.95 N ATOM 1835 CA ARG A 119 28.268 12.404 17.894 1.00 29.41 C ATOM 1836 C ARG A 119 28.337 13.934 17.932 1.00 27.46 C ATOM 1837 O ARG A 119 28.266 14.551 18.997 1.00 28.03 O ATOM 1838 CB ARG A 119 26.816 12.009 17.560 1.00 27.29 C ATOM 1839 CG ARG A 119 26.575 10.495 17.472 1.00 29.07 C ATOM 1840 CD ARG A 119 25.328 10.191 16.636 1.00 33.27 C ATOM 1841 NE ARG A 119 24.862 8.809 16.822 1.00 34.40 N ATOM 1842 CZ ARG A 119 24.467 7.967 15.850 1.00 33.71 C ATOM 1843 NH1 ARG A 119 24.507 8.313 14.555 1.00 39.46 N ATOM 1844 NH2 ARG A 119 24.018 6.751 16.179 1.00 32.31 N1+ ATOM 1845 H ARG A 119 28.030 12.071 19.965 1.00 0.00 H ATOM 1846 HA ARG A 119 28.931 12.042 17.105 1.00 0.00 H ATOM 1847 HB3 ARG A 119 26.554 12.453 16.598 1.00 0.00 H ATOM 1848 HB2 ARG A 119 26.120 12.441 18.281 1.00 0.00 H ATOM 1849 HG3 ARG A 119 26.485 10.075 18.475 1.00 0.00 H ATOM 1850 HG2 ARG A 119 27.435 10.011 17.008 1.00 0.00 H ATOM 1851 HD3 ARG A 119 25.545 10.399 15.590 1.00 0.00 H ATOM 1852 HD2 ARG A 119 24.520 10.864 16.915 1.00 0.00 H ATOM 1853 HE ARG A 119 24.795 8.495 17.780 1.00 0.00 H ATOM 1854 HH12 ARG A 119 24.212 7.667 13.838 1.00 0.00 H ATOM 1855 HH11 ARG A 119 24.842 9.227 14.290 1.00 0.00 H ATOM 1856 HH22 ARG A 119 23.737 6.094 15.466 1.00 0.00 H ATOM 1857 HH21 ARG A 119 23.923 6.489 17.154 1.00 0.00 H ATOM 1858 N ASP A 120 28.401 14.536 16.735 1.00 30.41 N ATOM 1859 CA ASP A 120 28.219 15.964 16.511 1.00 27.35 C ATOM 1860 C ASP A 120 26.710 16.273 16.596 1.00 25.50 C ATOM 1861 O ASP A 120 25.926 15.775 15.787 1.00 30.21 O ATOM 1862 CB ASP A 120 28.798 16.302 15.112 1.00 31.42 C ATOM 1863 CG ASP A 120 28.835 17.794 14.755 1.00 38.14 C ATOM 1864 OD1 ASP A 120 28.433 18.619 15.604 1.00 41.12 O ATOM 1865 OD2 ASP A 120 29.307 18.093 13.637 1.00 34.42 O1- ATOM 1866 H ASP A 120 28.452 13.953 15.913 1.00 0.00 H ATOM 1867 HA ASP A 120 28.766 16.521 17.275 1.00 0.00 H ATOM 1868 HB3 ASP A 120 28.243 15.779 14.332 1.00 0.00 H ATOM 1869 HB2 ASP A 120 29.823 15.935 15.050 1.00 0.00 H ATOM 1870 N VAL A 121 26.324 17.077 17.599 1.00 22.52 N ATOM 1871 CA VAL A 121 24.941 17.434 17.934 1.00 21.13 C ATOM 1872 C VAL A 121 24.666 18.941 17.756 1.00 22.32 C ATOM 1873 O VAL A 121 23.572 19.398 18.082 1.00 18.74 O ATOM 1874 CB VAL A 121 24.574 16.915 19.356 1.00 22.58 C ATOM 1875 CG1 VAL A 121 24.534 15.378 19.424 1.00 30.69 C ATOM 1876 CG2 VAL A 121 25.472 17.478 20.474 1.00 25.84 C ATOM 1877 H VAL A 121 27.043 17.431 18.212 1.00 0.00 H ATOM 1878 HA VAL A 121 24.261 16.950 17.232 1.00 0.00 H ATOM 1879 HB VAL A 121 23.559 17.247 19.578 1.00 0.00 H ATOM 1880 HG11 VAL A 121 24.172 15.040 20.396 1.00 0.00 H ATOM 1881 HG12 VAL A 121 23.871 14.961 18.667 1.00 0.00 H ATOM 1882 HG13 VAL A 121 25.522 14.942 19.273 1.00 0.00 H ATOM 1883 HG21 VAL A 121 25.104 17.173 21.454 1.00 0.00 H ATOM 1884 HG22 VAL A 121 26.497 17.118 20.382 1.00 0.00 H ATOM 1885 HG23 VAL A 121 25.501 18.566 20.465 1.00 0.00 H ATOM 1886 N ARG A 122 25.616 19.718 17.200 1.00 27.46 N ATOM 1887 CA ARG A 122 25.460 21.137 16.838 1.00 27.65 C ATOM 1888 C ARG A 122 24.282 21.428 15.890 1.00 24.97 C ATOM 1889 O ARG A 122 23.701 22.511 15.965 1.00 25.46 O ATOM 1890 CB ARG A 122 26.811 21.672 16.301 1.00 29.85 C ATOM 1891 CG ARG A 122 26.774 22.779 15.218 1.00 34.26 C ATOM 1892 CD ARG A 122 28.153 23.366 14.888 1.00 33.83 C ATOM 1893 NE ARG A 122 29.113 22.307 14.546 1.00 37.37 N ATOM 1894 CZ ARG A 122 29.992 21.742 15.393 1.00 37.41 C ATOM 1895 NH1 ARG A 122 30.125 22.163 16.660 1.00 44.26 N ATOM 1896 NH2 ARG A 122 30.745 20.722 14.968 1.00 43.88 N1+ ATOM 1897 H ARG A 122 26.487 19.276 16.934 1.00 0.00 H ATOM 1898 HA ARG A 122 25.238 21.677 17.761 1.00 0.00 H ATOM 1899 HB3 ARG A 122 27.378 20.840 15.890 1.00 0.00 H ATOM 1900 HB2 ARG A 122 27.388 22.027 17.153 1.00 0.00 H ATOM 1901 HG3 ARG A 122 26.133 23.598 15.548 1.00 0.00 H ATOM 1902 HG2 ARG A 122 26.333 22.390 14.300 1.00 0.00 H ATOM 1903 HD3 ARG A 122 28.522 23.971 15.714 1.00 0.00 H ATOM 1904 HD2 ARG A 122 28.066 24.038 14.034 1.00 0.00 H ATOM 1905 HE ARG A 122 29.042 21.929 13.612 1.00 0.00 H ATOM 1906 HH12 ARG A 122 30.782 21.717 17.283 1.00 0.00 H ATOM 1907 HH11 ARG A 122 29.562 22.930 16.996 1.00 0.00 H ATOM 1908 HH22 ARG A 122 31.396 20.270 15.592 1.00 0.00 H ATOM 1909 HH21 ARG A 122 30.580 20.309 14.059 1.00 0.00 H ATOM 1910 N GLN A 123 23.930 20.464 15.019 1.00 26.01 N ATOM 1911 CA GLN A 123 22.850 20.540 14.035 1.00 28.19 C ATOM 1912 C GLN A 123 21.465 20.898 14.610 1.00 24.96 C ATOM 1913 O GLN A 123 20.659 21.513 13.914 1.00 26.43 O ATOM 1914 CB GLN A 123 22.788 19.239 13.209 1.00 33.36 C ATOM 1915 CG GLN A 123 22.477 17.957 14.020 1.00 45.52 C ATOM 1916 CD GLN A 123 22.225 16.701 13.178 1.00 48.33 C ATOM 1917 OE1 GLN A 123 22.328 15.594 13.697 1.00 50.12 O ATOM 1918 NE2 GLN A 123 21.916 16.838 11.885 1.00 61.45 N ATOM 1919 H GLN A 123 24.469 19.609 15.036 1.00 0.00 H ATOM 1920 HA GLN A 123 23.142 21.328 13.345 1.00 0.00 H ATOM 1921 HB3 GLN A 123 23.734 19.106 12.682 1.00 0.00 H ATOM 1922 HB2 GLN A 123 22.036 19.382 12.432 1.00 0.00 H ATOM 1923 HG3 GLN A 123 21.585 18.096 14.629 1.00 0.00 H ATOM 1924 HG2 GLN A 123 23.292 17.749 14.715 1.00 0.00 H ATOM 1925 HE22 GLN A 123 21.762 16.015 11.322 1.00 0.00 H ATOM 1926 HE21 GLN A 123 21.848 17.757 11.474 1.00 0.00 H ATOM 1927 N TYR A 124 21.195 20.523 15.872 1.00 21.23 N ATOM 1928 CA TYR A 124 19.893 20.680 16.515 1.00 20.57 C ATOM 1929 C TYR A 124 19.659 22.098 17.078 1.00 17.27 C ATOM 1930 O TYR A 124 18.515 22.419 17.397 1.00 19.70 O ATOM 1931 CB TYR A 124 19.784 19.656 17.665 1.00 20.32 C ATOM 1932 CG TYR A 124 19.871 18.204 17.226 1.00 17.15 C ATOM 1933 CD1 TYR A 124 18.834 17.625 16.464 1.00 23.75 C ATOM 1934 CD2 TYR A 124 20.998 17.428 17.560 1.00 19.77 C ATOM 1935 CE1 TYR A 124 18.942 16.293 16.018 1.00 24.75 C ATOM 1936 CE2 TYR A 124 21.122 16.109 17.090 1.00 21.05 C ATOM 1937 CZ TYR A 124 20.093 15.539 16.320 1.00 20.92 C ATOM 1938 OH TYR A 124 20.218 14.259 15.866 1.00 25.52 O ATOM 1939 H TYR A 124 21.913 20.038 16.393 1.00 0.00 H ATOM 1940 HA TYR A 124 19.108 20.469 15.788 1.00 0.00 H ATOM 1941 HB3 TYR A 124 18.809 19.766 18.131 1.00 0.00 H ATOM 1942 HB2 TYR A 124 20.527 19.857 18.439 1.00 0.00 H ATOM 1943 HD1 TYR A 124 17.958 18.204 16.212 1.00 0.00 H ATOM 1944 HD2 TYR A 124 21.774 17.840 18.179 1.00 0.00 H ATOM 1945 HE1 TYR A 124 18.149 15.858 15.428 1.00 0.00 H ATOM 1946 HE2 TYR A 124 22.003 15.535 17.332 1.00 0.00 H ATOM 1947 HH TYR A 124 21.088 13.913 16.001 1.00 0.00 H ATOM 1948 N VAL A 125 20.696 22.954 17.147 1.00 19.87 N ATOM 1949 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 1950 C VAL A 125 21.132 25.394 16.677 1.00 21.10 C ATOM 1951 O VAL A 125 21.021 26.581 16.988 1.00 21.37 O ATOM 1952 CB VAL A 125 21.380 24.430 19.037 1.00 21.60 C ATOM 1953 CG1 VAL A 125 20.614 23.726 20.165 1.00 23.75 C ATOM 1954 CG2 VAL A 125 22.845 23.957 18.977 1.00 24.99 C ATOM 1955 H VAL A 125 21.602 22.618 16.851 1.00 0.00 H ATOM 1956 HA VAL A 125 19.603 24.600 17.854 1.00 0.00 H ATOM 1957 HB VAL A 125 21.412 25.482 19.323 1.00 0.00 H ATOM 1958 HG11 VAL A 125 21.146 23.810 21.112 1.00 0.00 H ATOM 1959 HG12 VAL A 125 19.629 24.173 20.302 1.00 0.00 H ATOM 1960 HG13 VAL A 125 20.471 22.666 19.953 1.00 0.00 H ATOM 1961 HG21 VAL A 125 23.351 24.145 19.925 1.00 0.00 H ATOM 1962 HG22 VAL A 125 22.914 22.887 18.775 1.00 0.00 H ATOM 1963 HG23 VAL A 125 23.407 24.479 18.202 1.00 0.00 H ATOM 1964 N GLN A 126 21.660 25.011 15.498 1.00 23.38 N ATOM 1965 CA GLN A 126 22.196 25.952 14.509 1.00 29.06 C ATOM 1966 C GLN A 126 21.100 26.851 13.904 1.00 27.13 C ATOM 1967 O GLN A 126 20.027 26.379 13.525 1.00 27.14 O ATOM 1968 CB GLN A 126 22.989 25.196 13.419 1.00 31.28 C ATOM 1969 CG GLN A 126 22.199 24.232 12.496 1.00 33.72 C ATOM 1970 CD GLN A 126 22.525 24.355 11.004 1.00 47.22 C ATOM 1971 OE1 GLN A 126 22.737 23.345 10.337 1.00 45.69 O ATOM 1972 NE2 GLN A 126 22.582 25.576 10.466 1.00 49.55 N ATOM 1973 H GLN A 126 21.738 24.024 15.297 1.00 0.00 H ATOM 1974 HA GLN A 126 22.908 26.590 15.036 1.00 0.00 H ATOM 1975 HB3 GLN A 126 23.780 24.623 13.905 1.00 0.00 H ATOM 1976 HB2 GLN A 126 23.530 25.942 12.835 1.00 0.00 H ATOM 1977 HG3 GLN A 126 21.123 24.348 12.601 1.00 0.00 H ATOM 1978 HG2 GLN A 126 22.396 23.214 12.808 1.00 0.00 H ATOM 1979 HE22 GLN A 126 22.801 25.675 9.486 1.00 0.00 H ATOM 1980 HE21 GLN A 126 22.402 26.391 11.034 1.00 0.00 H ATOM 1981 N GLY A 127 21.381 28.161 13.849 1.00 25.06 N ATOM 1982 CA GLY A 127 20.496 29.194 13.314 1.00 25.33 C ATOM 1983 C GLY A 127 19.321 29.600 14.219 1.00 23.89 C ATOM 1984 O GLY A 127 18.468 30.361 13.767 1.00 25.63 O ATOM 1985 H GLY A 127 22.277 28.469 14.197 1.00 0.00 H ATOM 1986 HA3 GLY A 127 20.101 28.872 12.349 1.00 0.00 H ATOM 1987 HA2 GLY A 127 21.096 30.083 13.119 1.00 0.00 H ATOM 1988 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 1989 CA CYS A 128 18.122 29.323 16.376 1.00 20.37 C ATOM 1990 C CYS A 128 18.290 30.542 17.302 1.00 21.95 C ATOM 1991 O CYS A 128 17.337 30.891 18.001 1.00 24.45 O ATOM 1992 CB CYS A 128 17.940 28.070 17.252 1.00 18.95 C ATOM 1993 SG CYS A 128 17.562 26.536 16.360 1.00 17.57 S ATOM 1994 H CYS A 128 19.980 28.471 15.775 1.00 0.00 H ATOM 1995 HA CYS A 128 17.210 29.496 15.804 1.00 0.00 H ATOM 1996 HB3 CYS A 128 17.124 28.226 17.961 1.00 0.00 H ATOM 1997 HB2 CYS A 128 18.828 27.890 17.854 1.00 0.00 H ATOM 1998 N GLY A 129 19.461 31.203 17.294 1.00 27.29 N ATOM 1999 CA GLY A 129 19.741 32.407 18.080 1.00 29.29 C ATOM 2000 C GLY A 129 20.014 32.139 19.567 1.00 28.62 C ATOM 2001 O GLY A 129 19.757 33.011 20.396 1.00 38.50 O ATOM 2002 H GLY A 129 20.192 30.870 16.683 1.00 0.00 H ATOM 2003 HA3 GLY A 129 18.915 33.114 17.984 1.00 0.00 H ATOM 2004 HA2 GLY A 129 20.618 32.896 17.655 1.00 0.00 H ATOM 2005 N VAL A 130 20.501 30.933 19.893 1.00 24.90 N ATOM 2006 CA VAL A 130 20.801 30.449 21.241 1.00 25.27 C ATOM 2007 C VAL A 130 22.317 30.270 21.436 1.00 33.46 C ATOM 2008 O VAL A 130 22.703 30.025 22.599 1.00 31.44 O ATOM 2009 CB VAL A 130 20.038 29.120 21.486 1.00 25.35 C ATOM 2010 CG1 VAL A 130 18.515 29.333 21.472 1.00 27.59 C ATOM 2011 CG2 VAL A 130 20.441 27.983 20.523 1.00 26.59 C ATOM 2012 OXT VAL A 130 23.068 30.371 20.440 1.00 47.97 O1- ATOM 2013 H VAL A 130 20.712 30.295 19.140 1.00 0.00 H ATOM 2014 HA VAL A 130 20.474 31.176 21.986 1.00 0.00 H ATOM 2015 HB VAL A 130 20.286 28.784 22.493 1.00 0.00 H ATOM 2016 HG11 VAL A 130 17.999 28.415 21.740 1.00 0.00 H ATOM 2017 HG12 VAL A 130 18.216 30.098 22.189 1.00 0.00 H ATOM 2018 HG13 VAL A 130 18.154 29.634 20.489 1.00 0.00 H ATOM 2019 HG21 VAL A 130 19.832 27.094 20.679 1.00 0.00 H ATOM 2020 HG22 VAL A 130 20.328 28.276 19.481 1.00 0.00 H ATOM 2021 HG23 VAL A 130 21.481 27.687 20.666 1.00 0.00 H CONECT 105 1993 CONECT 490 1798 CONECT 1041 1248 CONECT 1191 1437 CONECT 1248 1041 CONECT 1437 1191 CONECT 1798 490 CONECT 1993 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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