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83INT_density_static.pdb
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8166 lines (8166 loc) · 582 KB
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HEADER
@ QM/MM Energy
@------------------------------------------------------------------------
@ quantum energy -2475.110461059 (-.649840E+07 kjoule/mol)
@ quantum energy adjusted -2475.110461059 (-.649840E+07 kjoule/mol)
@ quantum energy internal -2474.574518061 (-.649700E+07 kjoule/mol)
@ Bq-nuclear energy -23.430401616 (-.615165E+05 kjoule/mol)
@ Bq-electron energy 22.894458618 (0.601094E+05 kjoule/mol)
@ classical energy -39.181175347 (-.102870E+06 kjoule/mol)
@ total qmmm energy -2514.291636406 (-.660127E+07 kjoule/mol)
@------------------------------------------------------------------------
REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996
CRYST1 57.148 40.610 49.562 90.00 90.00 90.00
ATOM 1 C1 JRY 401 -10.736 0.915 16.876 0.00 C
ATOM 2 F1 JRY 401 -10.703 2.133 17.460 0.00 F
ATOM 3 C2 JRY 401 -10.494 -0.245 17.706 0.00 C
ATOM 4 O2 JRY 401 -10.198 -0.247 18.890 0.00 O
ATOM 5 N3 JRY 401 -10.639 -1.399 16.949 0.00 N
ATOM 6 H3 JRY 401 -10.476 -2.272 17.458 0.00 H
ATOM 7 C4 JRY 401 -10.594 -1.547 15.559 0.00 C
ATOM 8 O4 JRY 401 -10.354 -2.639 15.074 0.00 O
ATOM 9 N5 JRY 401 -10.832 -0.376 14.858 0.00 N
ATOM 10 C6 JRY 401 -10.944 0.797 15.550 0.00 C
ATOM 11 H6 JRY 401 -11.184 1.677 14.973 0.00 H
ATOM 12 C7 JRY 401 -10.846 -0.292 13.275 0.00 C
ATOM 13 O7 JRY 401 -10.874 -1.433 12.719 0.00 O
ATOM 14 N7 JRY 401 -11.844 0.624 12.892 0.00 N
ATOM 15 H7 JRY 401 -12.451 0.213 12.189 0.00 H
ATOM 16 CK JRY 401 -11.693 2.063 12.759 0.00 C
ATOM 17 2HK JRY 401 -10.729 2.357 13.189 0.00 H
ATOM 18 3HK JRY 401 -11.611 2.348 11.702 0.00 H
ATOM 19 CL JRY 401 -12.818 2.850 13.447 0.00 C
ATOM 20 2HL JRY 401 -13.634 3.035 12.740 0.00 H
ATOM 21 3HL JRY 401 -13.245 2.227 14.242 0.00 H
ATOM 22 CM JRY 401 -12.331 4.173 14.028 0.00 C
ATOM 23 2HM JRY 401 -13.178 4.704 14.481 0.00 H
ATOM 24 3HM JRY 401 -11.631 3.962 14.855 0.00 H
ATOM 25 CN JRY 401 -11.651 5.075 13.003 0.00 C
ATOM 26 2HN JRY 401 -10.804 4.544 12.546 0.00 H
ATOM 27 3HN JRY 401 -12.352 5.276 12.186 0.00 H
ATOM 28 CP JRY 401 -11.140 6.387 13.593 0.00 C
ATOM 29 2HP JRY 401 -10.958 7.104 12.787 0.00 H
ATOM 30 3HP JRY 401 -11.914 6.832 14.233 0.00 H
ATOM 31 CQ JRY 401 -9.852 6.195 14.377 0.00 C
ATOM 32 2HQ JRY 401 -9.548 7.102 14.903 0.00 H
ATOM 33 3HQ JRY 401 -9.046 5.909 13.692 0.00 H
ATOM 34 4HQ JRY 401 -9.955 5.397 15.123 0.00 H
ATOM 35 N SER 1 6.149 -16.849 -17.076 0.18 N
ATOM 36 2H SER 1 6.077 -17.512 -16.312 0.19 H
ATOM 37 3H SER 1 6.459 -15.956 -16.711 0.19 H
ATOM 38 4H SER 1 6.831 -17.190 -17.740 0.19 H
ATOM 39 CA SER 1 4.839 -16.694 -17.735 0.06 C
ATOM 40 HA SER 1 4.908 -15.884 -18.460 0.08 H
ATOM 41 CB SER 1 4.454 -17.975 -18.476 0.26 C
ATOM 42 2HB SER 1 3.450 -17.882 -18.890 0.03 H
ATOM 43 3HB SER 1 5.152 -18.144 -19.296 0.03 H
ATOM 44 OG SER 1 4.505 -19.073 -17.590 -0.67 O
ATOM 45 HG SER 1 4.291 -19.877 -18.076 0.42 H
ATOM 46 C SER 1 3.768 -16.320 -16.720 0.62 C
ATOM 47 O SER 1 4.001 -16.432 -15.515 -0.57 O
ATOM 48 N GLY 2 2.595 -15.887 -17.197 -0.42 N
ATOM 49 H GLY 2 2.486 -15.793 -18.202 0.27 H
ATOM 50 CA GLY 2 1.471 -15.427 -16.376 -0.03 C
ATOM 51 2HA GLY 2 1.266 -16.154 -15.589 0.07 H
ATOM 52 3HA GLY 2 0.586 -15.354 -17.006 0.07 H
ATOM 53 C GLY 2 1.704 -14.063 -15.719 0.60 C
ATOM 54 O GLY 2 2.842 -13.649 -15.484 -0.57 O
ATOM 55 N PHE 3 0.625 -13.349 -15.395 -0.42 N
ATOM 56 H PHE 3 -0.296 -13.743 -15.553 0.27 H
ATOM 57 CA PHE 3 0.722 -12.069 -14.688 -0.00 C
ATOM 58 HA PHE 3 1.488 -12.163 -13.922 0.10 H
ATOM 59 CB PHE 3 1.157 -10.968 -15.665 -0.03 C
ATOM 60 2HB PHE 3 1.818 -11.379 -16.428 0.03 H
ATOM 61 3HB PHE 3 0.285 -10.575 -16.180 0.03 H
ATOM 62 CG PHE 3 1.892 -9.845 -14.971 0.01 C
ATOM 63 CD1 PHE 3 1.189 -8.755 -14.427 -0.13 C
ATOM 64 HD1 PHE 3 0.113 -8.701 -14.505 0.13 H
ATOM 65 CE1 PHE 3 1.887 -7.729 -13.772 -0.17 C
ATOM 66 HE1 PHE 3 1.348 -6.880 -13.382 0.14 H
ATOM 67 CZ PHE 3 3.282 -7.804 -13.625 -0.11 C
ATOM 68 HZ PHE 3 3.808 -7.027 -13.091 0.13 H
ATOM 69 CE2 PHE 3 3.984 -8.888 -14.178 -0.17 C
ATOM 70 HE2 PHE 3 5.058 -8.936 -14.101 0.14 H
ATOM 71 CD2 PHE 3 3.290 -9.912 -14.843 -0.13 C
ATOM 72 HD2 PHE 3 3.833 -10.752 -15.253 0.13 H
ATOM 73 C PHE 3 -0.584 -11.672 -13.996 0.60 C
ATOM 74 O PHE 3 -1.644 -11.661 -14.620 -0.57 O
ATOM 75 N ARG 4 -0.490 -11.310 -12.714 -0.35 N
ATOM 76 H ARG 4 0.435 -11.361 -12.299 0.27 H
ATOM 77 CA ARG 4 -1.563 -10.749 -11.868 -0.26 C
ATOM 78 HA ARG 4 -2.117 -10.004 -12.443 0.16 H
ATOM 79 CB ARG 4 -2.541 -11.865 -11.441 -0.00 C
ATOM 80 2HB ARG 4 -3.337 -11.417 -10.848 0.03 H
ATOM 81 3HB ARG 4 -3.002 -12.288 -12.334 0.03 H
ATOM 82 CG ARG 4 -1.898 -13.012 -10.640 0.04 C
ATOM 83 2HG ARG 4 -1.198 -13.541 -11.285 0.03 H
ATOM 84 3HG ARG 4 -1.341 -12.621 -9.791 0.03 H
ATOM 85 CD ARG 4 -2.948 -14.015 -10.141 0.05 C
ATOM 86 2HD ARG 4 -3.622 -14.249 -10.966 0.07 H
ATOM 87 3HD ARG 4 -2.438 -14.932 -9.838 0.07 H
ATOM 88 NE ARG 4 -3.714 -13.491 -8.993 -0.53 N
ATOM 89 HE ARG 4 -3.371 -12.645 -8.560 0.35 H
ATOM 90 CZ ARG 4 -4.835 -13.977 -8.485 0.81 C
ATOM 91 NH1 ARG 4 -5.472 -15.005 -8.959 -0.86 N
ATOM 92 2HH1 ARG 4 -6.340 -15.271 -8.521 0.45 H
ATOM 93 3HH1 ARG 4 -5.110 -15.512 -9.763 0.45 H
ATOM 94 NH2 ARG 4 -5.371 -13.418 -7.449 -0.86 N
ATOM 95 2HH2 ARG 4 -6.259 -13.768 -7.101 0.45 H
ATOM 96 3HH2 ARG 4 -4.890 -12.662 -6.986 0.45 H
ATOM 97 C ARG 4 -0.967 -10.049 -10.642 0.73 C
ATOM 98 O ARG 4 0.222 -10.217 -10.361 -0.59 O
ATOM 99 N LYS 5 -1.776 -9.326 -9.859 -0.35 N
ATOM 100 H LYS 5 -2.742 -9.206 -10.143 0.27 H
ATOM 101 CA LYS 5 -1.371 -8.887 -8.509 -0.24 C
ATOM 102 HA LYS 5 -0.477 -8.266 -8.584 0.14 H
ATOM 103 CB LYS 5 -2.475 -8.054 -7.843 -0.01 C
ATOM 104 2HB LYS 5 -3.434 -8.560 -7.936 0.04 H
ATOM 105 3HB LYS 5 -2.247 -7.947 -6.783 0.04 H
ATOM 106 CG LYS 5 -2.546 -6.656 -8.475 0.02 C
ATOM 107 2HG LYS 5 -1.550 -6.211 -8.462 0.01 H
ATOM 108 3HG LYS 5 -2.875 -6.737 -9.510 0.01 H
ATOM 109 CD LYS 5 -3.489 -5.714 -7.726 -0.05 C
ATOM 110 2HD LYS 5 -3.190 -5.660 -6.679 0.06 H
ATOM 111 3HD LYS 5 -3.379 -4.724 -8.164 0.06 H
ATOM 112 CE LYS 5 -4.956 -6.139 -7.827 -0.01 C
ATOM 113 2HE LYS 5 -5.246 -6.162 -8.881 0.11 H
ATOM 114 3HE LYS 5 -5.078 -7.143 -7.412 0.11 H
ATOM 115 NZ LYS 5 -5.819 -5.193 -7.092 -0.39 N
ATOM 116 2HZ LYS 5 -5.649 -5.263 -6.092 0.34 H
ATOM 117 3HZ LYS 5 -5.646 -4.230 -7.378 0.34 H
ATOM 118 4HZ LYS 5 -6.804 -5.408 -7.226 0.34 H
ATOM 119 C LYS 5 -0.989 -10.108 -7.676 0.73 C
ATOM 120 O LYS 5 -1.720 -11.103 -7.668 -0.59 O
ATOM 121 N MET 6 0.170 -10.062 -7.028 -0.42 N
ATOM 122 H MET 6 0.715 -9.204 -7.090 0.27 H
ATOM 123 CA MET 6 0.820 -11.239 -6.445 -0.02 C
ATOM 124 HA MET 6 0.066 -11.970 -6.160 0.09 H
ATOM 125 CB MET 6 1.727 -11.874 -7.513 0.03 C
ATOM 126 2HB MET 6 1.136 -12.090 -8.403 0.02 H
ATOM 127 3HB MET 6 2.497 -11.157 -7.799 0.02 H
ATOM 128 CG MET 6 2.408 -13.171 -7.055 0.00 C
ATOM 129 2HG MET 6 3.009 -13.545 -7.883 0.04 H
ATOM 130 3HG MET 6 3.088 -12.930 -6.239 0.04 H
ATOM 131 SD MET 6 1.333 -14.526 -6.500 -0.27 S
ATOM 132 CE MET 6 0.189 -14.674 -7.899 -0.05 C
ATOM 133 2HE MET 6 0.750 -14.768 -8.829 0.07 H
ATOM 134 3HE MET 6 -0.436 -15.557 -7.766 0.07 H
ATOM 135 4HE MET 6 -0.449 -13.793 -7.946 0.07 H
ATOM 136 C MET 6 1.597 -10.836 -5.190 0.60 C
ATOM 137 O MET 6 2.651 -10.203 -5.282 -0.57 O
ATOM 138 N ALA 7 1.060 -11.145 -4.012 -0.42 N
ATOM 139 H ALA 7 0.223 -11.715 -3.995 0.27 H
ATOM 140 CA ALA 7 1.656 -10.746 -2.738 0.03 C
ATOM 141 HA ALA 7 1.792 -9.669 -2.760 0.08 H
ATOM 142 CB ALA 7 0.675 -11.078 -1.607 -0.18 C
ATOM 143 2HB ALA 7 1.090 -10.752 -0.652 0.06 H
ATOM 144 3HB ALA 7 -0.271 -10.561 -1.771 0.06 H
ATOM 145 4HB ALA 7 0.505 -12.154 -1.565 0.06 H
ATOM 146 C ALA 7 3.037 -11.385 -2.490 0.60 C
ATOM 147 O ALA 7 3.317 -12.489 -2.966 -0.57 O
ATOM 148 N PHE 8 3.878 -10.725 -1.692 -0.42 N
ATOM 149 H PHE 8 3.578 -9.825 -1.334 0.27 H
ATOM 150 CA PHE 8 5.038 -11.352 -1.053 -0.00 C
ATOM 151 HA PHE 8 5.667 -11.790 -1.828 0.10 H
ATOM 152 CB PHE 8 5.845 -10.282 -0.297 -0.03 C
ATOM 153 2HB PHE 8 5.179 -9.763 0.394 0.03 H
ATOM 154 3HB PHE 8 6.608 -10.775 0.306 0.03 H
ATOM 155 CG PHE 8 6.541 -9.259 -1.175 0.01 C
ATOM 156 CD1 PHE 8 7.762 -9.573 -1.801 -0.13 C
ATOM 157 HD1 PHE 8 8.201 -10.554 -1.677 0.13 H
ATOM 158 CE1 PHE 8 8.414 -8.614 -2.598 -0.17 C
ATOM 159 HE1 PHE 8 9.344 -8.865 -3.090 0.14 H
ATOM 160 CZ PHE 8 7.847 -7.342 -2.781 -0.11 C
ATOM 161 HZ PHE 8 8.341 -6.610 -3.408 0.13 H
ATOM 162 CE2 PHE 8 6.618 -7.036 -2.175 -0.17 C
ATOM 163 HE2 PHE 8 6.152 -6.077 -2.337 0.14 H
ATOM 164 CD2 PHE 8 5.977 -7.984 -1.362 -0.13 C
ATOM 165 HD2 PHE 8 5.047 -7.725 -0.880 0.13 H
ATOM 166 C PHE 8 4.582 -12.462 -0.078 0.60 C
ATOM 167 O PHE 8 3.438 -12.435 0.395 -0.57 O
ATOM 168 N PRO 9 5.447 -13.435 0.268 -0.25 N
ATOM 169 CA PRO 9 5.180 -14.390 1.343 -0.03 C
ATOM 170 HA PRO 9 4.390 -15.061 1.012 0.06 H
ATOM 171 CB PRO 9 6.476 -15.191 1.514 -0.01 C
ATOM 172 2HB PRO 9 6.276 -16.227 1.787 0.03 H
ATOM 173 3HB PRO 9 7.115 -14.718 2.260 0.03 H
ATOM 174 CG PRO 9 7.150 -15.084 0.147 0.02 C
ATOM 175 2HG PRO 9 6.730 -15.830 -0.529 0.02 H
ATOM 176 3HG PRO 9 8.233 -15.194 0.217 0.02 H
ATOM 177 CD PRO 9 6.752 -13.688 -0.322 0.02 C
ATOM 178 2HD PRO 9 7.473 -12.957 0.047 0.04 H
ATOM 179 3HD PRO 9 6.711 -13.662 -1.411 0.04 H
ATOM 180 C PRO 9 4.769 -13.686 2.646 0.59 C
ATOM 181 O PRO 9 5.456 -12.766 3.091 -0.57 O
ATOM 182 N SER 10 3.674 -14.109 3.282 -0.42 N
ATOM 183 H SER 10 3.108 -14.835 2.853 0.27 H
ATOM 184 CA SER 10 3.159 -13.486 4.514 -0.02 C
ATOM 185 HA SER 10 3.478 -12.443 4.537 0.08 H
ATOM 186 CB SER 10 1.626 -13.476 4.494 0.21 C
ATOM 187 2HB SER 10 1.247 -13.087 5.439 0.04 H
ATOM 188 3HB SER 10 1.302 -12.811 3.696 0.04 H
ATOM 189 OG SER 10 1.083 -14.759 4.250 -0.65 O
ATOM 190 HG SER 10 1.180 -15.298 5.080 0.43 H
ATOM 191 C SER 10 3.672 -14.118 5.816 0.60 C
ATOM 192 O SER 10 3.520 -13.508 6.874 -0.57 O
ATOM 193 N GLY 11 4.297 -15.300 5.762 -0.42 N
ATOM 194 H GLY 11 4.343 -15.746 4.854 0.27 H
ATOM 195 CA GLY 11 4.672 -16.119 6.925 -0.03 C
ATOM 196 2HA GLY 11 5.301 -16.936 6.574 0.07 H
ATOM 197 3HA GLY 11 3.765 -16.554 7.344 0.07 H
ATOM 198 C GLY 11 5.425 -15.419 8.069 0.60 C
ATOM 199 O GLY 11 5.219 -15.769 9.233 -0.57 O
ATOM 200 N LYS 12 6.280 -14.425 7.792 -0.35 N
ATOM 201 H LYS 12 6.423 -14.170 6.816 0.27 H
ATOM 202 CA LYS 12 6.913 -13.599 8.837 -0.24 C
ATOM 203 HA LYS 12 7.261 -14.239 9.649 0.14 H
ATOM 204 CB LYS 12 8.101 -12.806 8.274 -0.01 C
ATOM 205 2HB LYS 12 7.759 -12.153 7.470 0.04 H
ATOM 206 3HB LYS 12 8.485 -12.168 9.071 0.04 H
ATOM 207 CG LYS 12 9.261 -13.658 7.748 0.02 C
ATOM 208 2HG LYS 12 8.949 -14.177 6.843 0.01 H
ATOM 209 3HG LYS 12 10.069 -12.976 7.490 0.01 H
ATOM 210 CD LYS 12 9.772 -14.691 8.765 -0.05 C
ATOM 211 2HD LYS 12 9.839 -14.228 9.749 0.06 H
ATOM 212 3HD LYS 12 9.058 -15.512 8.822 0.06 H
ATOM 213 CE LYS 12 11.154 -15.255 8.415 -0.01 C
ATOM 214 2HE LYS 12 11.907 -14.478 8.573 0.11 H
ATOM 215 3HE LYS 12 11.372 -16.080 9.099 0.11 H
ATOM 216 NZ LYS 12 11.232 -15.730 7.016 -0.39 N
ATOM 217 2HZ LYS 12 10.490 -16.387 6.796 0.34 H
ATOM 218 3HZ LYS 12 11.174 -14.935 6.381 0.34 H
ATOM 219 4HZ LYS 12 12.129 -16.170 6.843 0.34 H
ATOM 220 C LYS 12 5.928 -12.621 9.465 0.73 C
ATOM 221 O LYS 12 5.863 -12.530 10.686 -0.59 O
ATOM 222 N VAL 13 5.144 -11.915 8.651 -0.42 N
ATOM 223 H VAL 13 5.189 -12.124 7.663 0.27 H
ATOM 224 CA VAL 13 4.139 -10.942 9.114 -0.09 C
ATOM 225 HA VAL 13 4.638 -10.223 9.764 0.10 H
ATOM 226 CB VAL 13 3.523 -10.161 7.935 0.30 C
ATOM 227 HB VAL 13 2.863 -10.817 7.370 -0.03 H
ATOM 228 CG1 VAL 13 2.718 -8.958 8.442 -0.32 C
ATOM 229 2HG1 VAL 13 1.948 -9.278 9.139 0.08 H
ATOM 230 3HG1 VAL 13 3.364 -8.257 8.965 0.08 H
ATOM 231 4HG1 VAL 13 2.239 -8.450 7.604 0.08 H
ATOM 232 CG2 VAL 13 4.598 -9.632 6.975 -0.32 C
ATOM 233 2HG2 VAL 13 4.140 -8.974 6.239 0.08 H
ATOM 234 3HG2 VAL 13 5.359 -9.079 7.523 0.08 H
ATOM 235 4HG2 VAL 13 5.067 -10.455 6.435 0.08 H
ATOM 236 C VAL 13 3.053 -11.636 9.944 0.60 C
ATOM 237 O VAL 13 2.709 -11.158 11.021 -0.57 O
ATOM 238 N GLU 14 2.621 -12.832 9.536 -0.52 N
ATOM 239 H GLU 14 2.936 -13.158 8.625 0.29 H
ATOM 240 CA GLU 14 1.753 -13.733 10.316 0.04 C
ATOM 241 HA GLU 14 0.808 -13.229 10.516 0.11 H
ATOM 242 CB GLU 14 1.471 -15.006 9.506 0.06 C
ATOM 243 2HB GLU 14 2.421 -15.452 9.210 -0.02 H
ATOM 244 3HB GLU 14 0.945 -15.722 10.140 -0.02 H
ATOM 245 CG GLU 14 0.618 -14.760 8.259 0.01 C
ATOM 246 2HG GLU 14 -0.385 -14.459 8.552 -0.04 H
ATOM 247 3HG GLU 14 1.047 -13.956 7.661 -0.04 H
ATOM 248 CD GLU 14 0.539 -16.034 7.425 0.81 C
ATOM 249 OE1 GLU 14 -0.213 -16.965 7.791 -0.82 O
ATOM 250 OE2 GLU 14 1.245 -16.121 6.395 -0.82 O
ATOM 251 C GLU 14 2.341 -14.137 11.681 0.54 C
ATOM 252 O GLU 14 1.602 -14.529 12.582 -0.58 O
ATOM 253 N GLY 15 3.659 -14.020 11.861 -0.42 N
ATOM 254 H GLY 15 4.219 -13.721 11.073 0.27 H
ATOM 255 CA GLY 15 4.340 -14.185 13.144 -0.03 C
ATOM 256 2HA GLY 15 5.320 -14.614 12.948 0.07 H
ATOM 257 3HA GLY 15 3.775 -14.864 13.779 0.07 H
ATOM 258 C GLY 15 4.546 -12.875 13.910 0.60 C
ATOM 259 O GLY 15 4.699 -12.892 15.131 -0.57 O
ATOM 260 N CYS 16 4.510 -11.731 13.228 -0.42 N
ATOM 261 H CYS 16 4.359 -11.779 12.228 0.27 H
ATOM 262 CA CYS 16 4.603 -10.406 13.840 0.02 C
ATOM 263 HA CYS 16 5.310 -10.432 14.668 0.11 H
ATOM 264 CB CYS 16 5.144 -9.414 12.804 -0.12 C
ATOM 265 2HB CYS 16 4.439 -9.323 11.976 0.11 H
ATOM 266 3HB CYS 16 5.264 -8.440 13.281 0.11 H
ATOM 267 SG CYS 16 6.763 -9.955 12.184 -0.31 S
ATOM 268 HG CYS 16 6.394 -11.189 11.808 0.19 H
ATOM 269 C CYS 16 3.258 -9.924 14.413 0.60 C
ATOM 270 O CYS 16 3.258 -9.196 15.399 -0.57 O
ATOM 271 N MET 17 2.112 -10.319 13.846 -0.42 N
ATOM 272 H MET 17 2.154 -10.854 12.986 0.27 H
ATOM 273 CA MET 17 0.806 -9.837 14.327 -0.02 C
ATOM 274 HA MET 17 0.828 -8.749 14.287 0.09 H
ATOM 275 CB MET 17 -0.351 -10.324 13.440 0.03 C
ATOM 276 2HB MET 17 -0.415 -11.411 13.493 0.02 H
ATOM 277 3HB MET 17 -1.275 -9.919 13.850 0.02 H
ATOM 278 CG MET 17 -0.265 -9.901 11.968 0.00 C
ATOM 279 2HG MET 17 0.392 -10.599 11.455 0.04 H
ATOM 280 3HG MET 17 -1.254 -10.008 11.522 0.04 H
ATOM 281 SD MET 17 0.344 -8.221 11.641 -0.27 S
ATOM 282 CE MET 17 -0.935 -7.209 12.442 -0.05 C
ATOM 283 2HE MET 17 -1.897 -7.374 11.959 0.07 H
ATOM 284 3HE MET 17 -1.017 -7.467 13.496 0.07 H
ATOM 285 4HE MET 17 -0.671 -6.154 12.354 0.07 H
ATOM 286 C MET 17 0.504 -10.227 15.782 0.60 C
ATOM 287 O MET 17 0.822 -11.338 16.221 -0.57 O
ATOM 288 N VAL 18 -0.197 -9.342 16.495 -0.42 N
ATOM 289 H VAL 18 -0.355 -8.433 16.067 0.27 H
ATOM 290 CA VAL 18 -0.769 -9.531 17.842 -0.09 C
ATOM 291 HA VAL 18 -1.018 -10.583 17.978 0.10 H
ATOM 292 CB VAL 18 0.227 -9.124 18.953 0.30 C
ATOM 293 HB VAL 18 -0.269 -9.226 19.917 -0.03 H
ATOM 294 CG1 VAL 18 1.437 -10.056 18.978 -0.32 C
ATOM 295 2HG1 VAL 18 2.070 -9.875 18.110 0.08 H
ATOM 296 3HG1 VAL 18 2.015 -9.890 19.887 0.08 H
ATOM 297 4HG1 VAL 18 1.099 -11.088 18.947 0.08 H
ATOM 298 CG2 VAL 18 0.725 -7.680 18.847 -0.32 C
ATOM 299 2HG2 VAL 18 1.297 -7.543 17.930 0.08 H
ATOM 300 3HG2 VAL 18 -0.116 -6.987 18.859 0.08 H
ATOM 301 4HG2 VAL 18 1.367 -7.466 19.699 0.08 H
ATOM 302 C VAL 18 -2.073 -8.736 18.005 0.60 C
ATOM 303 O VAL 18 -2.412 -7.905 17.166 -0.57 O
ATOM 304 N GLN 19 -2.804 -8.984 19.091 -0.42 N
ATOM 305 H GLN 19 -2.436 -9.657 19.751 0.27 H
ATOM 306 CA GLN 19 -3.987 -8.234 19.529 -0.00 C
ATOM 307 HA GLN 19 -4.465 -7.739 18.682 0.09 H
ATOM 308 CB GLN 19 -4.960 -9.239 20.168 -0.00 C
ATOM 309 2HB GLN 19 -5.057 -10.099 19.513 0.02 H
ATOM 310 3HB GLN 19 -4.527 -9.592 21.106 0.02 H
ATOM 311 CG GLN 19 -6.370 -8.692 20.440 -0.06 C
ATOM 312 2HG GLN 19 -6.320 -7.858 21.139 0.04 H
ATOM 313 3HG GLN 19 -6.800 -8.333 19.504 0.04 H
ATOM 314 CD GLN 19 -7.282 -9.766 21.036 0.70 C
ATOM 315 OE1 GLN 19 -6.847 -10.651 21.766 -0.61 O
ATOM 316 NE2 GLN 19 -8.560 -9.760 20.738 -0.94 N
ATOM 317 2HE2 GLN 19 -9.184 -10.441 21.162 0.43 H
ATOM 318 3HE2 GLN 19 -8.970 -9.038 20.151 0.43 H
ATOM 319 C GLN 19 -3.561 -7.199 20.577 0.60 C
ATOM 320 O GLN 19 -2.690 -7.505 21.392 -0.57 O
ATOM 321 N VAL 20 -4.185 -6.018 20.602 -0.42 N
ATOM 322 H VAL 20 -4.896 -5.837 19.897 0.27 H
ATOM 323 CA VAL 20 -3.883 -4.918 21.536 -0.09 C
ATOM 324 HA VAL 20 -3.383 -5.326 22.413 0.10 H
ATOM 325 CB VAL 20 -2.941 -3.876 20.888 0.30 C
ATOM 326 HB VAL 20 -3.456 -3.395 20.060 -0.03 H
ATOM 327 CG1 VAL 20 -2.544 -2.793 21.900 -0.32 C
ATOM 328 2HG1 VAL 20 -1.801 -2.129 21.461 0.08 H
ATOM 329 3HG1 VAL 20 -3.407 -2.188 22.170 0.08 H
ATOM 330 4HG1 VAL 20 -2.129 -3.248 22.798 0.08 H
ATOM 331 CG2 VAL 20 -1.652 -4.493 20.327 -0.32 C
ATOM 332 2HG2 VAL 20 -1.887 -5.159 19.498 0.08 H
ATOM 333 3HG2 VAL 20 -0.996 -3.708 19.951 0.08 H
ATOM 334 4HG2 VAL 20 -1.135 -5.051 21.104 0.08 H
ATOM 335 C VAL 20 -5.179 -4.235 21.994 0.60 C
ATOM 336 O VAL 20 -6.075 -3.971 21.193 -0.57 O
ATOM 337 N THR 21 -5.282 -3.916 23.284 -0.42 N
ATOM 338 H THR 21 -4.514 -4.176 23.900 0.27 H
ATOM 339 CA THR 21 -6.446 -3.259 23.905 -0.04 C
ATOM 340 HA THR 21 -6.979 -2.690 23.143 0.10 H
ATOM 341 CB THR 21 -7.424 -4.316 24.466 0.37 C
ATOM 342 HB THR 21 -7.813 -4.907 23.641 0.00 H
ATOM 343 CG2 THR 21 -6.784 -5.262 25.474 -0.24 C
ATOM 344 2HG2 THR 21 -6.361 -4.682 26.291 0.06 H
ATOM 345 3HG2 THR 21 -7.531 -5.954 25.865 0.06 H
ATOM 346 4HG2 THR 21 -6.000 -5.844 24.993 0.06 H
ATOM 347 OG1 THR 21 -8.515 -3.734 25.150 -0.68 O
ATOM 348 HG1 THR 21 -9.057 -3.270 24.473 0.41 H
ATOM 349 C THR 21 -6.015 -2.274 24.998 0.60 C
ATOM 350 O THR 21 -4.932 -2.394 25.573 -0.57 O
ATOM 351 N CYS 22 -6.883 -1.304 25.297 -0.42 N
ATOM 352 H CYS 22 -7.746 -1.273 24.769 0.27 H
ATOM 353 CA CYS 22 -6.733 -0.355 26.407 0.02 C
ATOM 354 HA CYS 22 -6.116 -0.820 27.177 0.11 H
ATOM 355 CB CYS 22 -5.994 0.888 25.876 -0.12 C
ATOM 356 2HB CYS 22 -5.192 0.570 25.209 0.11 H
ATOM 357 3HB CYS 22 -6.683 1.523 25.317 0.11 H
ATOM 358 SG CYS 22 -5.243 1.834 27.234 -0.31 S
ATOM 359 HG CYS 22 -6.376 2.185 27.860 0.19 H
ATOM 360 C CYS 22 -8.100 -0.035 27.060 0.60 C
ATOM 361 O CYS 22 -8.302 1.052 27.612 -0.57 O
ATOM 362 N GLY 23 -9.080 -0.936 26.932 -0.42 N
ATOM 363 H GLY 23 -8.870 -1.832 26.509 0.27 H
ATOM 364 CA GLY 23 -10.440 -0.754 27.440 -0.03 C
ATOM 365 2HA GLY 23 -10.693 0.300 27.420 0.07 H
ATOM 366 3HA GLY 23 -10.505 -1.109 28.469 0.07 H
ATOM 367 C GLY 23 -11.478 -1.490 26.601 0.60 C
ATOM 368 O GLY 23 -11.249 -2.604 26.133 -0.57 O
ATOM 369 N THR 24 -12.621 -0.841 26.375 -0.42 N
ATOM 370 H THR 24 -12.758 0.052 26.838 0.27 H
ATOM 371 CA THR 24 -13.642 -1.257 25.396 -0.04 C
ATOM 372 HA THR 24 -13.937 -2.283 25.618 0.10 H
ATOM 373 CB THR 24 -14.884 -0.363 25.592 0.37 C
ATOM 374 HB THR 24 -14.565 0.616 25.947 0.00 H
ATOM 375 CG2 THR 24 -15.797 -0.140 24.391 -0.24 C
ATOM 376 2HG2 THR 24 -16.161 -1.093 24.017 0.06 H
ATOM 377 3HG2 THR 24 -16.649 0.472 24.687 0.06 H
ATOM 378 4HG2 THR 24 -15.256 0.382 23.602 0.06 H
ATOM 379 OG1 THR 24 -15.671 -0.977 26.590 -0.68 O
ATOM 380 HG1 THR 24 -16.085 -0.272 27.125 0.41 H
ATOM 381 C THR 24 -13.105 -1.279 23.952 0.60 C
ATOM 382 O THR 24 -13.627 -2.016 23.115 -0.57 O
ATOM 383 N THR 25 -12.017 -0.556 23.669 -0.42 N
ATOM 384 H THR 25 -11.616 -0.001 24.410 0.27 H
ATOM 385 CA THR 25 -11.210 -0.650 22.440 -0.04 C
ATOM 386 HA THR 25 -11.861 -0.605 21.567 0.10 H
ATOM 387 CB THR 25 -10.203 0.511 22.371 0.37 C
ATOM 388 HB THR 25 -9.386 0.243 21.699 0.00 H
ATOM 389 CG2 THR 25 -10.826 1.797 21.854 -0.24 C
ATOM 390 2HG2 THR 25 -10.094 2.600 21.917 0.06 H
ATOM 391 3HG2 THR 25 -11.097 1.667 20.808 0.06 H
ATOM 392 4HG2 THR 25 -11.715 2.053 22.432 0.06 H
ATOM 393 OG1 THR 25 -9.667 0.824 23.645 -0.68 O
ATOM 394 HG1 THR 25 -8.864 1.362 23.473 0.41 H
ATOM 395 C THR 25 -10.381 -1.936 22.363 0.60 C
ATOM 396 O THR 25 -9.588 -2.219 23.267 -0.57 O
ATOM 397 N THR 26 -10.454 -2.649 21.235 -0.42 N
ATOM 398 H THR 26 -11.147 -2.387 20.536 0.27 H
ATOM 399 CA THR 26 -9.490 -3.705 20.867 -0.04 C
ATOM 400 HA THR 26 -8.552 -3.522 21.388 0.10 H
ATOM 401 CB THR 26 -9.976 -5.114 21.246 0.37 C
ATOM 402 HB THR 26 -10.805 -5.404 20.600 0.00 H
ATOM 403 CG2 THR 26 -8.859 -6.153 21.134 -0.24 C
ATOM 404 2HG2 THR 26 -7.981 -5.834 21.689 0.06 H
ATOM 405 3HG2 THR 26 -9.210 -7.103 21.536 0.06 H
ATOM 406 4HG2 THR 26 -8.584 -6.294 20.089 0.06 H
ATOM 407 OG1 THR 26 -10.413 -5.158 22.582 -0.68 O
ATOM 408 HG1 THR 26 -11.367 -4.935 22.542 0.41 H
ATOM 409 C THR 26 -9.216 -3.675 19.366 0.60 C
ATOM 410 O THR 26 -10.142 -3.588 18.559 -0.57 O
ATOM 411 N LEU 27 -7.944 -3.768 18.986 -0.42 N
ATOM 412 H LEU 27 -7.242 -3.896 19.711 0.27 H
ATOM 413 CA LEU 27 -7.455 -3.808 17.605 -0.05 C
ATOM 414 HA LEU 27 -8.209 -4.284 16.974 0.09 H
ATOM 415 CB LEU 27 -7.255 -2.367 17.070 -0.11 C
ATOM 416 2HB LEU 27 -6.713 -2.400 16.130 0.05 H
ATOM 417 3HB LEU 27 -8.235 -1.995 16.820 0.05 H
ATOM 418 CG LEU 27 -6.598 -1.306 17.972 0.35 C
ATOM 419 HG LEU 27 -7.173 -1.186 18.890 -0.04 H
ATOM 420 CD1 LEU 27 -5.163 -1.671 18.322 -0.41 C
ATOM 421 2HD1 LEU 27 -4.595 -1.799 17.406 0.10 H
ATOM 422 3HD1 LEU 27 -4.693 -0.892 18.915 0.10 H
ATOM 423 4HD1 LEU 27 -5.153 -2.596 18.891 0.10 H
ATOM 424 CD2 LEU 27 -6.594 0.030 17.222 -0.41 C
ATOM 425 2HD2 LEU 27 -6.054 -0.079 16.283 0.10 H
ATOM 426 3HD2 LEU 27 -7.619 0.336 17.019 0.10 H
ATOM 427 4HD2 LEU 27 -6.107 0.797 17.820 0.10 H
ATOM 428 C LEU 27 -6.208 -4.706 17.499 0.60 C
ATOM 429 O LEU 27 -5.883 -5.444 18.433 -0.57 O
ATOM 430 N ASN 28 -5.511 -4.667 16.366 -0.42 N
ATOM 431 H ASN 28 -5.812 -4.035 15.633 0.27 H
ATOM 432 CA ASN 28 -4.313 -5.460 16.109 0.01 C
ATOM 433 HA ASN 28 -4.275 -6.292 16.812 0.10 H
ATOM 434 CB ASN 28 -4.396 -6.052 14.690 -0.20 C
ATOM 435 2HB ASN 28 -4.230 -5.265 13.957 0.08 H
ATOM 436 3HB ASN 28 -3.612 -6.796 14.562 0.08 H
ATOM 437 CG ASN 28 -5.731 -6.716 14.398 0.71 C
ATOM 438 OD1 ASN 28 -5.949 -7.883 14.696 -0.59 O
ATOM 439 ND2 ASN 28 -6.645 -5.990 13.804 -0.92 N
ATOM 440 2HD2 ASN 28 -7.542 -6.407 13.601 0.42 H
ATOM 441 3HD2 ASN 28 -6.471 -5.006 13.642 0.42 H
ATOM 442 C ASN 28 -3.037 -4.618 16.308 0.60 C
ATOM 443 O ASN 28 -3.073 -3.394 16.433 -0.57 O
ATOM 444 N GLY 29 -1.883 -5.270 16.303 -0.42 N
ATOM 445 H GLY 29 -1.901 -6.283 16.241 0.27 H
ATOM 446 CA GLY 29 -0.582 -4.617 16.364 -0.03 C
ATOM 447 2HA GLY 29 -0.368 -4.317 17.389 0.07 H
ATOM 448 3HA GLY 29 -0.590 -3.723 15.737 0.07 H
ATOM 449 C GLY 29 0.533 -5.530 15.875 0.60 C
ATOM 450 O GLY 29 0.302 -6.690 15.533 -0.57 O
ATOM 451 N LEU 30 1.751 -4.999 15.862 -0.42 N
ATOM 452 H LEU 30 1.836 -4.033 16.161 0.27 H
ATOM 453 CA LEU 30 2.920 -5.613 15.244 -0.05 C
ATOM 454 HA LEU 30 2.650 -6.600 14.869 0.09 H
ATOM 455 CB LEU 30 3.335 -4.723 14.054 -0.11 C
ATOM 456 2HB LEU 30 2.445 -4.423 13.499 0.05 H
ATOM 457 3HB LEU 30 3.796 -3.815 14.443 0.05 H
ATOM 458 CG LEU 30 4.304 -5.407 13.079 0.35 C
ATOM 459 HG LEU 30 5.105 -5.891 13.635 -0.04 H
ATOM 460 CD1 LEU 30 3.580 -6.451 12.228 -0.41 C
ATOM 461 2HD1 LEU 30 2.734 -5.992 11.717 0.10 H
ATOM 462 3HD1 LEU 30 4.264 -6.864 11.488 0.10 H
ATOM 463 4HD1 LEU 30 3.201 -7.256 12.854 0.10 H
ATOM 464 CD2 LEU 30 4.917 -4.370 12.140 -0.41 C
ATOM 465 2HD2 LEU 30 5.441 -3.609 12.718 0.10 H
ATOM 466 3HD2 LEU 30 5.630 -4.857 11.478 0.10 H
ATOM 467 4HD2 LEU 30 4.146 -3.897 11.539 0.10 H
ATOM 468 C LEU 30 4.022 -5.784 16.297 0.60 C
ATOM 469 O LEU 30 4.674 -4.819 16.681 -0.57 O
ATOM 470 N TRP 31 4.180 -6.999 16.812 -0.42 N
ATOM 471 H TRP 31 3.622 -7.747 16.415 0.27 H
ATOM 472 CA TRP 31 5.184 -7.398 17.800 -0.03 C
ATOM 473 HA TRP 31 5.356 -6.579 18.497 0.11 H
ATOM 474 CB TRP 31 4.608 -8.594 18.571 -0.01 C
ATOM 475 2HB TRP 31 3.631 -8.293 18.941 0.03 H
ATOM 476 3HB TRP 31 4.450 -9.410 17.864 0.03 H
ATOM 477 CG TRP 31 5.343 -9.157 19.752 -0.14 C
ATOM 478 CD1 TRP 31 6.196 -8.506 20.579 -0.16 C
ATOM 479 HD1 TRP 31 6.502 -7.470 20.480 0.21 H
ATOM 480 NE1 TRP 31 6.618 -9.363 21.579 -0.34 N
ATOM 481 HE1 TRP 31 7.284 -9.110 22.303 0.34 H
ATOM 482 CE2 TRP 31 6.072 -10.617 21.439 0.14 C
ATOM 483 CZ2 TRP 31 6.214 -11.806 22.165 -0.26 C
ATOM 484 HZ2 TRP 31 6.843 -11.832 23.038 0.16 H
ATOM 485 CH2 TRP 31 5.543 -12.960 21.735 -0.11 C
ATOM 486 HH2 TRP 31 5.644 -13.885 22.286 0.14 H
ATOM 487 CZ3 TRP 31 4.733 -12.904 20.589 -0.20 C
ATOM 488 HZ3 TRP 31 4.205 -13.791 20.274 0.14 H
ATOM 489 CE3 TRP 31 4.593 -11.701 19.866 -0.24 C
ATOM 490 HE3 TRP 31 3.970 -11.673 18.985 0.17 H
ATOM 491 CD2 TRP 31 5.257 -10.523 20.274 0.12 C
ATOM 492 C TRP 31 6.503 -7.739 17.097 0.60 C
ATOM 493 O TRP 31 6.566 -8.669 16.289 -0.57 O
ATOM 494 N LEU 32 7.558 -6.980 17.389 -0.42 N
ATOM 495 H LEU 32 7.439 -6.248 18.085 0.27 H
ATOM 496 CA LEU 32 8.876 -7.083 16.761 -0.05 C
ATOM 497 HA LEU 32 8.997 -8.063 16.301 0.09 H
ATOM 498 CB LEU 32 9.030 -5.982 15.696 -0.11 C
ATOM 499 2HB LEU 32 8.830 -5.024 16.172 0.05 H
ATOM 500 3HB LEU 32 10.064 -5.972 15.356 0.05 H
ATOM 501 CG LEU 32 8.118 -6.112 14.467 0.35 C
ATOM 502 HG LEU 32 7.085 -6.249 14.781 -0.04 H
ATOM 503 CD1 LEU 32 8.197 -4.831 13.641 -0.41 C
ATOM 504 2HD1 LEU 32 7.817 -3.993 14.226 0.10 H
ATOM 505 3HD1 LEU 32 9.228 -4.634 13.359 0.10 H
ATOM 506 4HD1 LEU 32 7.599 -4.934 12.740 0.10 H
ATOM 507 CD2 LEU 32 8.534 -7.280 13.575 -0.41 C
ATOM 508 2HD2 LEU 32 8.404 -8.217 14.115 0.10 H
ATOM 509 3HD2 LEU 32 7.895 -7.304 12.694 0.10 H
ATOM 510 4HD2 LEU 32 9.573 -7.167 13.267 0.10 H
ATOM 511 C LEU 32 9.941 -6.920 17.844 0.60 C
ATOM 512 O LEU 32 10.019 -5.867 18.481 -0.57 O
ATOM 513 N ASP 33 10.745 -7.962 18.064 -0.52 N
ATOM 514 H ASP 33 10.638 -8.781 17.477 0.29 H
ATOM 515 CA ASP 33 11.478 -8.141 19.323 0.04 C
ATOM 516 HA ASP 33 11.820 -9.176 19.363 0.09 H
ATOM 517 CB ASP 33 12.741 -7.259 19.343 -0.03 C
ATOM 518 2HB ASP 33 12.454 -6.208 19.388 -0.01 H
ATOM 519 3HB ASP 33 13.322 -7.486 20.238 -0.01 H
ATOM 520 CG ASP 33 13.621 -7.497 18.114 0.80 C
ATOM 521 OD1 ASP 33 14.032 -8.662 17.889 -0.80 O
ATOM 522 OD2 ASP 33 13.912 -6.517 17.384 -0.80 O
ATOM 523 C ASP 33 10.519 -7.968 20.521 0.54 C
ATOM 524 O ASP 33 9.430 -8.538 20.504 -0.58 O
ATOM 525 N ASP 34 10.874 -7.226 21.570 -0.52 N
ATOM 526 H ASP 34 11.778 -6.766 21.562 0.29 H
ATOM 527 CA ASP 34 10.048 -7.021 22.772 0.04 C
ATOM 528 HA ASP 34 9.298 -7.810 22.818 0.09 H
ATOM 529 CB ASP 34 10.927 -7.185 24.019 -0.03 C
ATOM 530 2HB ASP 34 10.281 -7.199 24.895 -0.01 H
ATOM 531 3HB ASP 34 11.436 -8.146 23.977 -0.01 H
ATOM 532 CG ASP 34 11.975 -6.086 24.170 0.80 C
ATOM 533 OD1 ASP 34 12.115 -5.512 25.274 -0.80 O
ATOM 534 OD2 ASP 34 12.726 -5.811 23.207 -0.80 O
ATOM 535 C ASP 34 9.244 -5.703 22.763 0.54 C
ATOM 536 O ASP 34 8.906 -5.167 23.820 -0.58 O
ATOM 537 N VAL 35 8.917 -5.182 21.575 -0.42 N
ATOM 538 H VAL 35 9.221 -5.673 20.742 0.27 H
ATOM 539 CA VAL 35 8.094 -3.972 21.381 -0.09 C
ATOM 540 HA VAL 35 7.643 -3.688 22.329 0.10 H
ATOM 541 CB VAL 35 8.952 -2.783 20.892 0.30 C
ATOM 542 HB VAL 35 9.447 -3.063 19.963 -0.03 H
ATOM 543 CG1 VAL 35 8.138 -1.503 20.643 -0.32 C
ATOM 544 2HG1 VAL 35 8.812 -0.684 20.386 0.08 H
ATOM 545 3HG1 VAL 35 7.454 -1.640 19.807 0.08 H
ATOM 546 4HG1 VAL 35 7.578 -1.231 21.539 0.08 H
ATOM 547 CG2 VAL 35 10.022 -2.417 21.927 -0.32 C
ATOM 548 2HG2 VAL 35 10.652 -1.619 21.535 0.08 H
ATOM 549 3HG2 VAL 35 9.550 -2.077 22.848 0.08 H
ATOM 550 4HG2 VAL 35 10.655 -3.276 22.139 0.08 H
ATOM 551 C VAL 35 6.951 -4.270 20.411 0.60 C
ATOM 552 O VAL 35 7.084 -5.081 19.494 -0.57 O
ATOM 553 N VAL 36 5.811 -3.616 20.627 -0.42 N
ATOM 554 H VAL 36 5.759 -3.033 21.456 0.27 H
ATOM 555 CA VAL 36 4.560 -3.816 19.893 -0.09 C
ATOM 556 HA VAL 36 4.739 -4.466 19.042 0.10 H
ATOM 557 CB VAL 36 3.504 -4.483 20.793 0.30 C
ATOM 558 HB VAL 36 3.296 -3.839 21.643 -0.03 H
ATOM 559 CG1 VAL 36 2.191 -4.711 20.032 -0.32 C
ATOM 560 2HG1 VAL 36 2.378 -5.299 19.134 0.08 H
ATOM 561 3HG1 VAL 36 1.483 -5.235 20.674 0.08 H
ATOM 562 4HG1 VAL 36 1.746 -3.757 19.752 0.08 H
ATOM 563 CG2 VAL 36 3.993 -5.831 21.335 -0.32 C
ATOM 564 2HG2 VAL 36 4.934 -5.712 21.870 0.08 H
ATOM 565 3HG2 VAL 36 3.274 -6.224 22.044 0.08 H
ATOM 566 4HG2 VAL 36 4.124 -6.538 20.521 0.08 H
ATOM 567 C VAL 36 4.060 -2.468 19.387 0.60 C
ATOM 568 O VAL 36 3.780 -1.571 20.179 -0.57 O
ATOM 569 N TYR 37 3.943 -2.325 18.071 -0.42 N
ATOM 570 H TYR 37 4.206 -3.110 17.485 0.27 H
ATOM 571 CA TYR 37 3.503 -1.095 17.407 -0.00 C
ATOM 572 HA TYR 37 3.642 -0.245 18.077 0.09 H
ATOM 573 CB TYR 37 4.372 -0.865 16.153 -0.02 C
ATOM 574 2HB TYR 37 4.166 -1.654 15.429 0.03 H
ATOM 575 3HB TYR 37 4.078 0.080 15.694 0.03 H
ATOM 576 CG TYR 37 5.874 -0.840 16.421 -0.00 C
ATOM 577 CD1 TYR 37 6.592 -2.047 16.528 -0.19 C
ATOM 578 HD1 TYR 37 6.096 -2.987 16.366 0.17 H
ATOM 579 CE1 TYR 37 7.954 -2.048 16.870 -0.23 C
ATOM 580 HE1 TYR 37 8.477 -2.981 16.989 0.17 H
ATOM 581 CZ TYR 37 8.634 -0.830 17.060 0.32 C
ATOM 582 OH TYR 37 9.954 -0.833 17.385 -0.56 O
ATOM 583 HH TYR 37 10.286 -1.746 17.469 0.40 H
ATOM 584 CE2 TYR 37 7.933 0.384 16.905 -0.23 C
ATOM 585 HE2 TYR 37 8.460 1.315 17.028 0.17 H
ATOM 586 CD2 TYR 37 6.556 0.379 16.591 -0.19 C
ATOM 587 HD2 TYR 37 6.027 1.315 16.483 0.17 H
ATOM 588 C TYR 37 2.011 -1.213 17.056 0.60 C
ATOM 589 O TYR 37 1.587 -2.242 16.528 -0.57 O
ATOM 590 N CYS 38 1.198 -0.193 17.348 -0.42 N
ATOM 591 H CYS 38 1.575 0.601 17.853 0.27 H
ATOM 592 CA CYS 38 -0.251 -0.206 17.081 0.02 C
ATOM 593 HA CYS 38 -0.424 -0.781 16.172 0.11 H
ATOM 594 CB CYS 38 -0.947 -0.930 18.248 -0.12 C
ATOM 595 2HB CYS 38 -2.015 -1.025 18.043 0.11 H
ATOM 596 3HB CYS 38 -0.534 -1.935 18.339 0.11 H
ATOM 597 SG CYS 38 -0.711 -0.038 19.817 -0.31 S
ATOM 598 HG CYS 38 0.625 0.102 19.749 0.19 H
ATOM 599 C CYS 38 -0.836 1.211 16.864 0.60 C
ATOM 600 O CYS 38 -0.212 2.191 17.277 -0.57 O
ATOM 601 N PRO 39 -2.021 1.367 16.236 -0.25 N
ATOM 602 CA PRO 39 -2.712 2.655 16.122 -0.03 C
ATOM 603 HA PRO 39 -2.092 3.337 15.539 0.06 H
ATOM 604 CB PRO 39 -4.011 2.374 15.354 -0.01 C
ATOM 605 2HB PRO 39 -4.264 3.179 14.668 0.03 H
ATOM 606 3HB PRO 39 -4.840 2.203 16.042 0.03 H
ATOM 607 CG PRO 39 -3.713 1.084 14.608 0.02 C
ATOM 608 2HG PRO 39 -3.175 1.308 13.685 0.02 H
ATOM 609 3HG PRO 39 -4.628 0.534 14.402 0.02 H
ATOM 610 CD PRO 39 -2.795 0.334 15.571 0.02 C
ATOM 611 2HD PRO 39 -3.392 -0.204 16.306 0.04 H
ATOM 612 3HD PRO 39 -2.160 -0.358 15.021 0.04 H
ATOM 613 C PRO 39 -3.013 3.270 17.493 0.59 C
ATOM 614 O PRO 39 -3.711 2.664 18.315 -0.57 O
ATOM 615 N ARG 40 -2.546 4.502 17.740 -0.35 N
ATOM 616 H ARG 40 -2.043 4.986 17.003 0.27 H
ATOM 617 CA ARG 40 -2.783 5.208 19.013 -0.26 C
ATOM 618 HA ARG 40 -2.307 4.631 19.807 0.16 H
ATOM 619 CB ARG 40 -2.130 6.595 18.991 -0.00 C
ATOM 620 2HB ARG 40 -2.192 7.024 19.989 0.03 H
ATOM 621 3HB ARG 40 -1.077 6.494 18.719 0.03 H
ATOM 622 CG ARG 40 -2.819 7.557 18.020 0.04 C
ATOM 623 2HG ARG 40 -2.771 7.158 17.015 0.03 H
ATOM 624 3HG ARG 40 -3.863 7.691 18.286 0.03 H
ATOM 625 CD ARG 40 -2.143 8.913 18.034 0.05 C
ATOM 626 2HD ARG 40 -2.263 9.362 19.014 0.07 H
ATOM 627 3HD ARG 40 -1.077 8.772 17.883 0.07 H
ATOM 628 NE ARG 40 -2.729 9.776 16.997 -0.53 N
ATOM 629 HE ARG 40 -3.508 9.390 16.462 0.35 H
ATOM 630 CZ ARG 40 -2.387 11.018 16.728 0.81 C
ATOM 631 NH1 ARG 40 -1.425 11.625 17.352 -0.86 N
ATOM 632 2HH1 ARG 40 -1.180 12.577 17.122 0.45 H
ATOM 633 3HH1 ARG 40 -0.928 11.143 18.097 0.45 H
ATOM 634 NH2 ARG 40 -3.020 11.681 15.812 -0.86 N
ATOM 635 2HH2 ARG 40 -2.713 12.595 15.545 0.45 H
ATOM 636 3HH2 ARG 40 -3.779 11.212 15.319 0.45 H
ATOM 637 C ARG 40 -4.260 5.311 19.394 0.73 C
ATOM 638 O ARG 40 -4.571 5.315 20.583 -0.59 O
ATOM 639 N HIP 41 -5.186 5.328 18.425 -0.35 N
ATOM 640 H HIP 41 -4.853 5.360 17.462 0.27 H
ATOM 641 CA HIP 41 -6.631 5.407 18.675 -0.14 C
ATOM 642 HA HIP 41 -6.768 6.271 19.334 0.12 H
ATOM 643 CB HIP 41 -7.387 5.733 17.418 0.00 C
ATOM 644 2HB HIP 41 -8.393 6.079 17.682 0.00 H
ATOM 645 3HB HIP 41 -6.897 6.587 16.944 0.00 H
ATOM 646 CG HIP 41 -7.516 4.652 16.397 0.00 C
ATOM 647 ND1 HIP 41 -8.303 3.519 16.548 0.00 N
ATOM 648 HD1 HIP 41 -8.832 3.243 17.369 0.00 H
ATOM 649 CE1 HIP 41 -8.415 2.877 15.387 0.00 C
ATOM 650 HE1 HIP 41 -8.955 1.966 15.178 0.00 H
ATOM 651 NE2 HIP 41 -7.716 3.551 14.488 0.00 N
ATOM 652 HE2 HIP 41 -7.798 3.360 13.484 0.00 H
ATOM 653 CD2 HIP 41 -7.150 4.653 15.079 0.00 C
ATOM 654 HD2 HIP 41 -6.569 5.368 14.522 0.00 H
ATOM 655 C HIP 41 -7.217 4.240 19.500 0.73 C
ATOM 656 O HIP 41 -8.381 4.306 19.896 -0.59 O
ATOM 657 N VAL 42 -6.421 3.217 19.839 -0.42 N
ATOM 658 H VAL 42 -5.494 3.177 19.427 0.27 H
ATOM 659 CA VAL 42 -6.720 2.271 20.930 -0.09 C
ATOM 660 HA VAL 42 -7.672 1.796 20.688 0.10 H
ATOM 661 CB VAL 42 -5.655 1.155 20.983 0.30 C
ATOM 662 HB VAL 42 -5.464 0.855 19.959 -0.03 H
ATOM 663 CG1 VAL 42 -4.313 1.597 21.579 -0.32 C
ATOM 664 2HG1 VAL 42 -3.954 2.493 21.073 0.08 H
ATOM 665 3HG1 VAL 42 -4.410 1.791 22.647 0.08 H
ATOM 666 4HG1 VAL 42 -3.576 0.807 21.432 0.08 H
ATOM 667 CG2 VAL 42 -6.153 -0.087 21.731 -0.32 C
ATOM 668 2HG2 VAL 42 -7.092 -0.430 21.297 0.08 H
ATOM 669 3HG2 VAL 42 -5.420 -0.888 21.633 0.08 H
ATOM 670 4HG2 VAL 42 -6.300 0.134 22.786 0.08 H
ATOM 671 C VAL 42 -6.896 2.936 22.308 0.60 C
ATOM 672 O VAL 42 -7.629 2.390 23.128 -0.57 O
ATOM 673 N ILE 43 -6.294 4.108 22.575 -0.42 N
ATOM 674 H ILE 43 -5.663 4.500 21.882 0.27 H
ATOM 675 CA ILE 43 -6.403 4.803 23.881 -0.06 C
ATOM 676 HA ILE 43 -6.675 4.050 24.619 0.09 H
ATOM 677 CB ILE 43 -5.054 5.381 24.374 0.13 C
ATOM 678 HB ILE 43 -5.195 5.598 25.429 0.02 H
ATOM 679 CG2 ILE 43 -3.960 4.306 24.294 -0.32 C
ATOM 680 2HG2 ILE 43 -3.659 4.150 23.257 0.09 H
ATOM 681 3HG2 ILE 43 -3.090 4.605 24.876 0.09 H
ATOM 682 4HG2 ILE 43 -4.345 3.374 24.705 0.09 H
ATOM 683 CG1 ILE 43 -4.602 6.708 23.725 -0.04 C
ATOM 684 2HG1 ILE 43 -4.261 6.533 22.709 0.02 H
ATOM 685 3HG1 ILE 43 -5.436 7.409 23.692 0.02 H
ATOM 686 CD ILE 43 -3.471 7.371 24.522 -0.07 C
ATOM 687 2HD ILE 43 -3.273 8.368 24.131 0.02 H
ATOM 688 3HD ILE 43 -3.758 7.459 25.570 0.02 H
ATOM 689 4HD ILE 43 -2.562 6.781 24.446 0.02 H
ATOM 690 C ILE 43 -7.531 5.846 23.952 0.60 C
ATOM 691 O ILE 43 -7.709 6.500 24.981 -0.57 O
ATOM 692 N CYS 44 -8.294 6.009 22.871 -0.42 N
ATOM 693 H CYS 44 -8.105 5.430 22.069 0.27 H
ATOM 694 CA CYS 44 -9.482 6.862 22.829 0.02 C
ATOM 695 HA CYS 44 -9.388 7.676 23.552 0.11 H
ATOM 696 CB CYS 44 -9.607 7.467 21.422 -0.12 C
ATOM 697 2HB CYS 44 -9.353 6.730 20.659 0.11 H
ATOM 698 3HB CYS 44 -10.624 7.822 21.240 0.11 H
ATOM 699 SG CYS 44 -8.483 8.873 21.343 -0.31 S
ATOM 700 HG CYS 44 -8.360 8.939 20.007 0.19 H
ATOM 701 C CYS 44 -10.755 6.087 23.173 0.60 C
ATOM 702 O CYS 44 -10.821 4.859 23.059 -0.57 O
ATOM 703 N THR 45 -11.804 6.834 23.481 -0.42 N
ATOM 704 H THR 45 -11.646 7.822 23.654 0.27 H
ATOM 705 CA THR 45 -13.198 6.382 23.538 -0.04 C
ATOM 706 HA THR 45 -13.255 5.315 23.325 0.10 H
ATOM 707 CB THR 45 -13.777 6.618 24.944 0.37 C
ATOM 708 HB THR 45 -14.771 6.173 24.995 0.00 H
ATOM 709 CG2 THR 45 -12.900 5.994 26.032 -0.24 C
ATOM 710 2HG2 THR 45 -13.395 6.061 26.997 0.06 H
ATOM 711 3HG2 THR 45 -12.714 4.946 25.802 0.06 H
ATOM 712 4HG2 THR 45 -11.947 6.516 26.103 0.06 H
ATOM 713 OG1 THR 45 -13.890 7.996 25.223 -0.68 O
ATOM 714 HG1 THR 45 -12.978 8.373 25.263 0.41 H
ATOM 715 C THR 45 -14.012 7.115 22.465 0.60 C
ATOM 716 O THR 45 -13.509 8.056 21.844 -0.57 O
ATOM 717 N SER 46 -15.266 6.720 22.224 -0.42 N
ATOM 718 H SER 46 -15.625 5.902 22.701 0.27 H
ATOM 719 CA SER 46 -16.131 7.396 21.234 -0.02 C
ATOM 720 HA SER 46 -15.680 7.275 20.248 0.08 H
ATOM 721 CB SER 46 -17.539 6.792 21.196 0.21 C
ATOM 722 2HB SER 46 -18.133 7.222 21.997 0.04 H
ATOM 723 3HB SER 46 -18.017 7.042 20.249 0.04 H
ATOM 724 OG SER 46 -17.512 5.386 21.361 -0.65 O
ATOM 725 HG SER 46 -16.999 5.026 20.596 0.43 H
ATOM 726 C SER 46 -16.273 8.901 21.495 0.60 C
ATOM 727 O SER 46 -16.358 9.688 20.553 -0.57 O
ATOM 728 N GLU 47 -16.275 9.294 22.770 -0.52 N
ATOM 729 H GLU 47 -16.275 8.573 23.479 0.29 H
ATOM 730 CA GLU 47 -16.328 10.686 23.217 0.04 C
ATOM 731 HA GLU 47 -17.134 11.200 22.692 0.11 H
ATOM 732 CB GLU 47 -16.615 10.739 24.731 0.06 C
ATOM 733 2HB GLU 47 -15.795 10.272 25.279 -0.02 H
ATOM 734 3HB GLU 47 -16.648 11.790 25.021 -0.02 H
ATOM 735 CG GLU 47 -17.947 10.096 25.163 0.01 C
ATOM 736 2HG GLU 47 -18.236 10.527 26.124 -0.04 H
ATOM 737 3HG GLU 47 -18.726 10.357 24.442 -0.04 H
ATOM 738 CD GLU 47 -17.860 8.571 25.323 0.81 C
ATOM 739 OE1 GLU 47 -18.243 7.831 24.383 -0.82 O
ATOM 740 OE2 GLU 47 -17.390 8.088 26.377 -0.82 O
ATOM 741 C GLU 47 -15.027 11.447 22.910 0.54 C
ATOM 742 O GLU 47 -15.074 12.618 22.537 -0.58 O
ATOM 743 N ASP 48 -13.864 10.796 23.028 -0.52 N
ATOM 744 H ASP 48 -13.890 9.820 23.291 0.29 H
ATOM 745 CA ASP 48 -12.560 11.407 22.728 0.04 C
ATOM 746 HA ASP 48 -12.490 12.377 23.224 0.09 H
ATOM 747 CB ASP 48 -11.414 10.512 23.218 -0.03 C
ATOM 748 2HB ASP 48 -11.470 9.545 22.721 -0.01 H
ATOM 749 3HB ASP 48 -10.463 10.969 22.941 -0.01 H
ATOM 750 CG ASP 48 -11.423 10.313 24.722 0.80 C
ATOM 751 OD1 ASP 48 -11.296 11.312 25.462 -0.80 O
ATOM 752 OD2 ASP 48 -11.546 9.142 25.151 -0.80 O
ATOM 753 C ASP 48 -12.351 11.626 21.230 0.54 C
ATOM 754 O ASP 48 -11.872 12.682 20.821 -0.58 O
ATOM 755 N MET 49 -12.717 10.628 20.416 -0.42 N
ATOM 756 H MET 49 -13.131 9.812 20.857 0.27 H
ATOM 757 CA MET 49 -12.346 10.517 18.997 -0.02 C
ATOM 758 HA MET 49 -11.265 10.380 18.952 0.09 H
ATOM 759 CB MET 49 -13.022 9.266 18.408 0.03 C
ATOM 760 2HB MET 49 -13.032 8.464 19.146 0.02 H
ATOM 761 3HB MET 49 -14.056 9.505 18.158 0.02 H
ATOM 762 CG MET 49 -12.300 8.754 17.157 0.00 C
ATOM 763 2HG MET 49 -12.983 8.113 16.602 0.04 H
ATOM 764 3HG MET 49 -12.041 9.594 16.514 0.04 H
ATOM 765 SD MET 49 -10.797 7.801 17.496 -0.27 S
ATOM 766 CE MET 49 -11.546 6.158 17.649 -0.05 C
ATOM 767 2HE MET 49 -12.065 5.901 16.725 0.07 H
ATOM 768 3HE MET 49 -10.770 5.417 17.837 0.07 H
ATOM 769 4HE MET 49 -12.258 6.155 18.474 0.07 H
ATOM 770 C MET 49 -12.686 11.761 18.155 0.60 C
ATOM 771 O MET 49 -12.026 12.029 17.152 -0.57 O
ATOM 772 N LEU 50 -13.692 12.533 18.573 -0.42 N
ATOM 773 H LEU 50 -14.146 12.254 19.432 0.27 H
ATOM 774 CA LEU 50 -14.125 13.788 17.953 -0.05 C
ATOM 775 HA LEU 50 -14.393 13.594 16.915 0.09 H
ATOM 776 CB LEU 50 -15.371 14.292 18.707 -0.11 C
ATOM 777 2HB LEU 50 -15.075 14.534 19.728 0.05 H
ATOM 778 3HB LEU 50 -15.714 15.212 18.232 0.05 H
ATOM 779 CG LEU 50 -16.553 13.303 18.781 0.35 C
ATOM 780 HG LEU 50 -16.237 12.392 19.290 -0.04 H
ATOM 781 CD1 LEU 50 -17.690 13.923 19.592 -0.41 C
ATOM 782 2HD1 LEU 50 -18.046 14.833 19.108 0.10 H
ATOM 783 3HD1 LEU 50 -18.511 13.211 19.675 0.10 H
ATOM 784 4HD1 LEU 50 -17.334 14.161 20.595 0.10 H
ATOM 785 CD2 LEU 50 -17.090 12.933 17.400 -0.41 C
ATOM 786 2HD2 LEU 50 -17.386 13.830 16.857 0.10 H
ATOM 787 3HD2 LEU 50 -16.327 12.403 16.832 0.10 H
ATOM 788 4HD2 LEU 50 -17.953 12.276 17.503 0.10 H
ATOM 789 C LEU 50 -13.035 14.879 17.936 0.60 C
ATOM 790 O LEU 50 -12.969 15.655 16.980 -0.57 O
ATOM 791 N ASN 51 -12.179 14.949 18.962 -0.42 N
ATOM 792 H ASN 51 -12.279 14.247 19.692 0.27 H
ATOM 793 CA ASN 51 -11.012 15.841 19.052 0.01 C
ATOM 794 HA ASN 51 -10.445 15.758 18.126 0.10 H
ATOM 795 CB ASN 51 -11.447 17.317 19.204 -0.20 C
ATOM 796 2HB ASN 51 -12.088 17.616 18.380 0.08 H
ATOM 797 3HB ASN 51 -12.014 17.431 20.127 0.08 H
ATOM 798 CG ASN 51 -10.256 18.267 19.222 0.71 C
ATOM 799 OD1 ASN 51 -9.287 18.107 18.492 -0.59 O
ATOM 800 ND2 ASN 51 -10.259 19.262 20.072 -0.92 N
ATOM 801 2HD2 ASN 51 -9.461 19.868 20.102 0.42 H
ATOM 802 3HD2 ASN 51 -10.999 19.336 20.766 0.42 H
ATOM 803 C ASN 51 -10.068 15.402 20.197 0.60 C
ATOM 804 O ASN 51 -9.994 16.081 21.229 -0.57 O
ATOM 805 N PRO 52 -9.366 14.265 20.069 -0.25 N
ATOM 806 CA PRO 52 -8.464 13.781 21.109 -0.03 C
ATOM 807 HA PRO 52 -8.934 13.849 22.090 0.06 H
ATOM 808 CB PRO 52 -8.227 12.314 20.758 -0.01 C
ATOM 809 2HB PRO 52 -9.038 11.717 21.176 0.03 H
ATOM 810 3HB PRO 52 -7.261 11.948 21.106 0.03 H
ATOM 811 CG PRO 52 -8.322 12.292 19.235 0.02 C
ATOM 812 2HG PRO 52 -8.640 11.315 18.876 0.02 H
ATOM 813 3HG PRO 52 -7.363 12.578 18.803 0.02 H
ATOM 814 CD PRO 52 -9.357 13.367 18.922 0.02 C
ATOM 815 2HD PRO 52 -9.085 13.892 18.006 0.04 H
ATOM 816 3HD PRO 52 -10.333 12.904 18.815 0.04 H
ATOM 817 C PRO 52 -7.153 14.574 21.115 0.59 C
ATOM 818 O PRO 52 -6.757 15.141 20.092 -0.57 O
ATOM 819 N ASN 53 -6.444 14.574 22.242 -0.42 N
ATOM 820 H ASN 53 -6.867 14.198 23.086 0.27 H
ATOM 821 CA ASN 53 -5.088 15.104 22.359 0.01 C
ATOM 822 HA ASN 53 -4.698 15.316 21.361 0.10 H
ATOM 823 CB ASN 53 -5.112 16.422 23.151 -0.20 C
ATOM 824 2HB ASN 53 -5.873 17.083 22.744 0.08 H
ATOM 825 3HB ASN 53 -5.360 16.212 24.191 0.08 H
ATOM 826 CG ASN 53 -3.793 17.167 23.090 0.71 C
ATOM 827 OD1 ASN 53 -3.035 17.054 22.136 -0.59 O
ATOM 828 ND2 ASN 53 -3.478 17.960 24.080 -0.92 N
ATOM 829 2HD2 ASN 53 -4.136 18.093 24.851 0.42 H
ATOM 830 3HD2 ASN 53 -2.615 18.466 24.035 0.42 H
ATOM 831 C ASN 53 -4.196 14.027 22.985 0.60 C
ATOM 832 O ASN 53 -4.188 13.819 24.197 -0.57 O
ATOM 833 N TYR 54 -3.502 13.258 22.149 -0.42 N
ATOM 834 H TYR 54 -3.529 13.471 21.156 0.27 H
ATOM 835 CA TYR 54 -2.822 12.035 22.575 -0.00 C
ATOM 836 HA TYR 54 -3.553 11.427 23.103 0.09 H
ATOM 837 CB TYR 54 -2.403 11.240 21.342 -0.02 C
ATOM 838 2HB TYR 54 -1.885 11.892 20.638 0.03 H
ATOM 839 3HB TYR 54 -1.705 10.459 21.642 0.03 H
ATOM 840 CG TYR 54 -3.598 10.587 20.673 -0.00 C
ATOM 841 CD1 TYR 54 -4.067 9.347 21.145 -0.19 C
ATOM 842 HD1 TYR 54 -3.585 8.879 21.986 0.17 H
ATOM 843 CE1 TYR 54 -5.151 8.711 20.512 -0.23 C
ATOM 844 HE1 TYR 54 -5.520 7.766 20.874 0.17 H
ATOM 845 CZ TYR 54 -5.758 9.307 19.387 0.32 C
ATOM 846 OH TYR 54 -6.773 8.667 18.750 -0.56 O
ATOM 847 HH TYR 54 -7.129 9.181 17.994 0.40 H
ATOM 848 CE2 TYR 54 -5.295 10.554 18.925 -0.23 C
ATOM 849 HE2 TYR 54 -5.749 11.000 18.060 0.17 H
ATOM 850 CD2 TYR 54 -4.227 11.199 19.573 -0.19 C
ATOM 851 HD2 TYR 54 -3.867 12.146 19.197 0.17 H
ATOM 852 C TYR 54 -1.674 12.249 23.571 0.60 C
ATOM 853 O TYR 54 -1.493 11.401 24.444 -0.57 O
ATOM 854 N GLU 55 -0.992 13.401 23.550 -0.52 N
ATOM 855 H GLU 55 -1.155 14.051 22.791 0.29 H
ATOM 856 CA GLU 55 -0.055 13.802 24.619 0.04 C
ATOM 857 HA GLU 55 0.655 12.990 24.762 0.11 H
ATOM 858 CB GLU 55 0.703 15.085 24.223 0.06 C
ATOM 859 2HB GLU 55 -0.025 15.840 23.922 -0.02 H
ATOM 860 3HB GLU 55 1.235 15.477 25.091 -0.02 H
ATOM 861 CG GLU 55 1.726 14.907 23.090 0.01 C
ATOM 862 2HG GLU 55 1.229 14.473 22.222 -0.04 H
ATOM 863 3HG GLU 55 2.084 15.898 22.804 -0.04 H
ATOM 864 CD GLU 55 2.940 14.043 23.460 0.81 C
ATOM 865 OE1 GLU 55 3.849 13.919 22.610 -0.82 O
ATOM 866 OE2 GLU 55 2.972 13.424 24.550 -0.82 O
ATOM 867 C GLU 55 -0.721 14.024 25.992 0.54 C
ATOM 868 O GLU 55 -0.030 14.149 27.004 -0.58 O
ATOM 869 N ASP 56 -2.052 14.056 26.054 -0.52 N
ATOM 870 H ASP 56 -2.564 13.982 25.183 0.29 H
ATOM 871 CA ASP 56 -2.849 14.292 27.260 0.04 C
ATOM 872 HA ASP 56 -2.181 14.495 28.094 0.09 H
ATOM 873 CB ASP 56 -3.720 15.534 27.014 -0.03 C
ATOM 874 2HB ASP 56 -3.204 16.202 26.322 -0.01 H
ATOM 875 3HB ASP 56 -4.661 15.234 26.548 -0.01 H
ATOM 876 CG ASP 56 -3.998 16.341 28.278 0.80 C
ATOM 877 OD1 ASP 56 -5.129 16.866 28.409 -0.80 O
ATOM 878 OD2 ASP 56 -3.057 16.533 29.082 -0.80 O
ATOM 879 C ASP 56 -3.681 13.058 27.653 0.54 C
ATOM 880 O ASP 56 -3.932 12.828 28.835 -0.58 O
ATOM 881 N LEU 57 -4.020 12.200 26.685 -0.42 N
ATOM 882 H LEU 57 -3.874 12.503 25.730 0.27 H
ATOM 883 CA LEU 57 -4.566 10.860 26.924 -0.05 C
ATOM 884 HA LEU 57 -5.314 10.914 27.717 0.09 H
ATOM 885 CB LEU 57 -5.232 10.353 25.633 -0.11 C
ATOM 886 2HB LEU 57 -4.533 10.491 24.810 0.05 H
ATOM 887 3HB LEU 57 -5.422 9.283 25.725 0.05 H
ATOM 888 CG LEU 57 -6.563 11.049 25.301 0.35 C
ATOM 889 HG LEU 57 -6.476 12.124 25.459 -0.04 H
ATOM 890 CD1 LEU 57 -6.912 10.799 23.837 -0.41 C
ATOM 891 2HD1 LEU 57 -6.980 9.728 23.650 0.10 H
ATOM 892 3HD1 LEU 57 -7.869 11.269 23.608 0.10 H
ATOM 893 4HD1 LEU 57 -6.145 11.232 23.196 0.10 H
ATOM 894 CD2 LEU 57 -7.699 10.489 26.159 -0.41 C
ATOM 895 2HD2 LEU 57 -7.811 9.418 25.997 0.10 H
ATOM 896 3HD2 LEU 57 -7.504 10.682 27.213 0.10 H
ATOM 897 4HD2 LEU 57 -8.631 10.988 25.895 0.10 H
ATOM 898 C LEU 57 -3.493 9.857 27.380 0.60 C
ATOM 899 O LEU 57 -3.732 9.092 28.312 -0.57 O
ATOM 900 N LEU 58 -2.309 9.828 26.752 -0.42 N
ATOM 901 H LEU 58 -2.140 10.483 25.993 0.27 H
ATOM 902 CA LEU 58 -1.284 8.809 27.036 -0.05 C
ATOM 903 HA LEU 58 -1.767 7.835 26.974 0.09 H
ATOM 904 CB LEU 58 -0.197 8.877 25.942 -0.11 C
ATOM 905 2HB LEU 58 -0.709 8.859 24.980 0.05 H
ATOM 906 3HB LEU 58 0.315 9.839 26.003 0.05 H
ATOM 907 CG LEU 58 0.862 7.753 25.893 0.35 C
ATOM 908 HG LEU 58 1.329 7.803 24.911 -0.04 H
ATOM 909 CD1 LEU 58 1.981 7.926 26.912 -0.41 C
ATOM 910 2HD1 LEU 58 2.787 7.233 26.679 0.10 H
ATOM 911 3HD1 LEU 58 2.370 8.942 26.860 0.10 H
ATOM 912 4HD1 LEU 58 1.635 7.731 27.921 0.10 H
ATOM 913 CD2 LEU 58 0.286 6.342 26.054 -0.41 C
ATOM 914 2HD2 LEU 58 -0.088 6.198 27.067 0.10 H
ATOM 915 3HD2 LEU 58 -0.521 6.184 25.344 0.10 H
ATOM 916 4HD2 LEU 58 1.070 5.610 25.857 0.10 H
ATOM 917 C LEU 58 -0.729 8.933 28.463 0.60 C
ATOM 918 O LEU 58 -0.558 7.925 29.151 -0.57 O
ATOM 919 N ILE 59 -0.538 10.158 28.963 -0.42 N
ATOM 920 H ILE 59 -0.693 10.950 28.355 0.27 H
ATOM 921 CA ILE 59 -0.165 10.418 30.365 -0.06 C
ATOM 922 HA ILE 59 0.749 9.858 30.554 0.09 H
ATOM 923 CB ILE 59 0.177 11.915 30.561 0.13 C
ATOM 924 HB ILE 59 0.958 12.169 29.842 0.02 H
ATOM 925 CG2 ILE 59 -1.028 12.813 30.251 -0.32 C
ATOM 926 2HG2 ILE 59 -1.330 12.681 29.215 0.09 H
ATOM 927 3HG2 ILE 59 -1.868 12.591 30.907 0.09 H
ATOM 928 4HG2 ILE 59 -0.754 13.860 30.381 0.09 H
ATOM 929 CG1 ILE 59 0.727 12.259 31.963 -0.04 C
ATOM 930 2HG1 ILE 59 0.959 13.323 31.993 0.02 H
ATOM 931 3HG1 ILE 59 -0.032 12.071 32.722 0.02 H
ATOM 932 CD ILE 59 2.008 11.499 32.330 -0.07 C
ATOM 933 2HD ILE 59 2.763 11.649 31.558 0.02 H
ATOM 934 3HD ILE 59 2.391 11.879 33.278 0.02 H
ATOM 935 4HD ILE 59 1.805 10.434 32.441 0.02 H
ATOM 936 C ILE 59 -1.206 9.899 31.380 0.60 C
ATOM 937 O ILE 59 -0.846 9.579 32.512 -0.57 O
ATOM 938 N ARG 60 -2.479 9.730 30.987 -0.35 N
ATOM 939 H ARG 60 -2.719 9.984 30.034 0.27 H
ATOM 940 CA ARG 60 -3.533 9.100 31.811 -0.26 C
ATOM 941 HA ARG 60 -3.343 9.322 32.861 0.16 H
ATOM 942 CB ARG 60 -4.916 9.663 31.425 -0.00 C
ATOM 943 2HB ARG 60 -5.101 9.487 30.367 0.03 H
ATOM 944 3HB ARG 60 -5.689 9.127 31.973 0.03 H
ATOM 945 CG ARG 60 -5.091 11.160 31.708 0.04 C
ATOM 946 2HG ARG 60 -4.334 11.727 31.169 0.03 H
ATOM 947 3HG ARG 60 -6.070 11.457 31.335 0.03 H
ATOM 948 CD ARG 60 -5.013 11.501 33.202 0.05 C
ATOM 949 2HD ARG 60 -5.710 10.861 33.746 0.07 H
ATOM 950 3HD ARG 60 -4.008 11.307 33.578 0.07 H
ATOM 951 NE ARG 60 -5.383 12.905 33.439 -0.53 N
ATOM 952 HE ARG 60 -6.363 13.104 33.611 0.35 H
ATOM 953 CZ ARG 60 -4.621 13.977 33.340 0.81 C
ATOM 954 NH1 ARG 60 -3.344 13.903 33.094 -0.86 N
ATOM 955 2HH1 ARG 60 -2.776 14.743 32.987 0.45 H
ATOM 956 3HH1 ARG 60 -2.927 13.014 32.931 0.45 H
ATOM 957 NH2 ARG 60 -5.170 15.139 33.502 -0.86 N
ATOM 958 2HH2 ARG 60 -4.639 15.988 33.317 0.45 H
ATOM 959 3HH2 ARG 60 -6.176 15.181 33.589 0.45 H
ATOM 960 C ARG 60 -3.556 7.568 31.735 0.73 C
ATOM 961 O ARG 60 -4.325 6.949 32.478 -0.59 O
ATOM 962 N LYS 61 -2.739 6.940 30.880 -0.35 N
ATOM 963 H LYS 61 -2.122 7.510 30.314 0.27 H
ATOM 964 CA LYS 61 -2.614 5.475 30.777 -0.24 C
ATOM 965 HA LYS 61 -3.508 5.015 31.197 0.14 H
ATOM 966 CB LYS 61 -2.504 5.033 29.302 -0.01 C
ATOM 967 2HB LYS 61 -1.560 5.391 28.889 0.04 H
ATOM 968 3HB LYS 61 -2.485 3.943 29.271 0.04 H
ATOM 969 CG LYS 61 -3.648 5.499 28.384 0.02 C
ATOM 970 2HG LYS 61 -3.543 6.565 28.197 0.01 H
ATOM 971 3HG LYS 61 -3.552 4.980 27.429 0.01 H
ATOM 972 CD LYS 61 -5.042 5.228 28.966 -0.05 C
ATOM 973 2HD LYS 61 -5.125 4.173 29.231 0.06 H
ATOM 974 3HD LYS 61 -5.185 5.833 29.861 0.06 H
ATOM 975 CE LYS 61 -6.135 5.589 27.959 -0.01 C
ATOM 976 2HE LYS 61 -6.005 6.627 27.640 0.11 H
ATOM 977 3HE LYS 61 -6.047 4.935 27.089 0.11 H
ATOM 978 NZ LYS 61 -7.475 5.411 28.548 -0.39 N
ATOM 979 2HZ LYS 61 -7.625 4.439 28.803 0.34 H
ATOM 980 3HZ LYS 61 -7.591 5.972 29.388 0.34 H
ATOM 981 4HZ LYS 61 -8.204 5.663 27.886 0.34 H
ATOM 982 C LYS 61 -1.445 4.932 31.604 0.73 C
ATOM 983 O LYS 61 -0.555 5.668 32.040 -0.59 O
ATOM 984 N SER 62 -1.463 3.620 31.802 -0.42 N
ATOM 985 H SER 62 -2.256 3.108 31.444 0.27 H
ATOM 986 CA SER 62 -0.487 2.844 32.568 -0.02 C
ATOM 987 HA SER 62 0.494 3.299 32.482 0.08 H