USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 464 GLN : amide:sc= -0.491 X(o=0.13,f=-0.19) USER MOD Set 1.2: A 467 ASN : amide:sc= 0.619 K(o=0.13,f=-0.56) USER MOD Set 2.1: A 419 GLN : amide:sc= -1.83 K(o=-4,f=-0.3) USER MOD Set 2.2: A 423 GLN : amide:sc= -2.18 K(o=-4,f=-0.3) USER MOD Single : A 398 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.7) USER MOD Single : A 399 LYS NZ :NH3+ -163:sc= -0.141 (180deg=-0.602) USER MOD Single : A 406 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.046) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 414 GLN : amide:sc= -0.937 X(o=-0.94,f=-1.3) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0.0147 K(o=0.015,f=-2.2!) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ -171:sc= -0.0644 (180deg=-0.194) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot 22:sc= 0.309 USER MOD Single : A 455 ASN : amide:sc= -0.767 K(o=-0.77,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 460 GLN : amide:sc= -0.856 K(o=-0.86,f=-3.7!) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= 0.82 K(o=0.82,f=-3.2!) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 156:sc= 0.412 (180deg=0.0434) USER MOD Single : A 477 LYS NZ :NH3+ 171:sc= -0.0141 (180deg=-0.15) USER MOD Single : A 479 GLN : amide:sc= 0.927 K(o=0.93,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 1.240 6.876 7.851 1.00 21.10 N ATOM 57 CA GLN A 398 0.225 7.459 6.914 1.00 52.40 C ATOM 58 C GLN A 398 -0.312 8.830 7.447 1.00 12.11 C ATOM 59 O GLN A 398 -1.216 8.870 8.291 1.00 61.54 O ATOM 60 CB GLN A 398 -0.958 6.474 6.617 1.00 4.42 C ATOM 61 CG GLN A 398 -2.176 7.058 5.779 1.00 22.34 C ATOM 62 CD GLN A 398 -1.800 7.760 4.445 1.00 11.22 C ATOM 63 OE1 GLN A 398 -0.817 7.392 3.815 1.00 34.11 O ATOM 64 NE2 GLN A 398 -2.608 8.751 3.969 1.00 42.13 N ATOM 0 HA GLN A 398 0.738 7.632 5.968 1.00 52.40 H new ATOM 0 HB2 GLN A 398 -0.558 5.613 6.082 1.00 4.42 H new ATOM 0 HB3 GLN A 398 -1.343 6.108 7.568 1.00 4.42 H new ATOM 0 HG2 GLN A 398 -2.865 6.243 5.558 1.00 22.34 H new ATOM 0 HG3 GLN A 398 -2.715 7.770 6.404 1.00 22.34 H new ATOM 0 HE21 GLN A 398 -3.423 9.046 4.506 1.00 42.13 H new ATOM 0 HE22 GLN A 398 -2.397 9.197 3.076 1.00 42.13 H new ATOM 73 N LYS A 399 0.301 9.933 6.980 1.00 4.54 N ATOM 74 CA LYS A 399 -0.099 11.307 7.273 1.00 15.12 C ATOM 75 C LYS A 399 0.283 12.217 6.066 1.00 74.31 C ATOM 76 O LYS A 399 1.462 12.485 5.801 1.00 23.12 O ATOM 77 CB LYS A 399 0.441 11.825 8.655 1.00 14.03 C ATOM 78 CG LYS A 399 1.952 12.067 8.862 1.00 2.53 C ATOM 79 CD LYS A 399 2.861 10.946 8.375 1.00 32.33 C ATOM 80 CE LYS A 399 4.362 11.287 8.531 1.00 11.45 C ATOM 81 NZ LYS A 399 4.649 12.644 8.005 1.00 11.21 N ATOM 0 H LYS A 399 1.115 9.882 6.368 1.00 4.54 H new ATOM 0 HA LYS A 399 -1.182 11.341 7.393 1.00 15.12 H new ATOM 0 HB2 LYS A 399 -0.068 12.765 8.868 1.00 14.03 H new ATOM 0 HB3 LYS A 399 0.122 11.111 9.414 1.00 14.03 H new ATOM 0 HG2 LYS A 399 2.230 12.987 8.349 1.00 2.53 H new ATOM 0 HG3 LYS A 399 2.136 12.227 9.924 1.00 2.53 H new ATOM 0 HD2 LYS A 399 2.639 10.036 8.932 1.00 32.33 H new ATOM 0 HD3 LYS A 399 2.646 10.739 7.327 1.00 32.33 H new ATOM 0 HE2 LYS A 399 4.645 11.232 9.582 1.00 11.45 H new ATOM 0 HE3 LYS A 399 4.964 10.551 7.999 1.00 11.45 H new ATOM 0 HZ1 LYS A 399 5.672 12.747 7.850 1.00 11.21 H new ATOM 0 HZ2 LYS A 399 4.147 12.781 7.105 1.00 11.21 H new ATOM 0 HZ3 LYS A 399 4.330 13.357 8.691 1.00 11.21 H new ATOM 95 N GLU A 400 -0.733 12.609 5.286 1.00 4.41 N ATOM 96 CA GLU A 400 -0.548 13.431 4.071 1.00 2.20 C ATOM 97 C GLU A 400 -0.495 14.948 4.410 1.00 45.35 C ATOM 98 O GLU A 400 -0.791 15.343 5.544 1.00 31.24 O ATOM 99 CB GLU A 400 -1.550 13.085 2.916 1.00 61.22 C ATOM 100 CG GLU A 400 -3.040 13.020 3.290 1.00 51.40 C ATOM 101 CD GLU A 400 -3.718 14.370 3.433 1.00 34.41 C ATOM 102 OE1 GLU A 400 -3.993 15.003 2.393 1.00 5.31 O ATOM 103 OE2 GLU A 400 -4.022 14.768 4.573 1.00 32.33 O ATOM 0 H GLU A 400 -1.706 12.369 5.474 1.00 4.41 H new ATOM 0 HA GLU A 400 0.428 13.165 3.666 1.00 2.20 H new ATOM 0 HB2 GLU A 400 -1.429 13.828 2.127 1.00 61.22 H new ATOM 0 HB3 GLU A 400 -1.263 12.122 2.494 1.00 61.22 H new ATOM 0 HG2 GLU A 400 -3.566 12.443 2.530 1.00 51.40 H new ATOM 0 HG3 GLU A 400 -3.141 12.477 4.229 1.00 51.40 H new ATOM 110 N GLY A 401 -0.086 15.783 3.435 1.00 53.43 N ATOM 111 CA GLY A 401 0.450 17.123 3.758 1.00 2.43 C ATOM 112 C GLY A 401 -0.480 18.265 3.359 1.00 74.41 C ATOM 113 O GLY A 401 -1.368 18.590 4.154 1.00 34.14 O ATOM 0 H GLY A 401 -0.114 15.563 2.439 1.00 53.43 H new ATOM 0 HA2 GLY A 401 0.642 17.180 4.829 1.00 2.43 H new ATOM 0 HA3 GLY A 401 1.408 17.253 3.255 1.00 2.43 H new ATOM 117 N PRO A 402 -0.330 18.953 2.177 1.00 51.43 N ATOM 118 CA PRO A 402 -1.245 20.046 1.847 1.00 50.20 C ATOM 119 C PRO A 402 -2.442 19.592 1.006 1.00 5.20 C ATOM 120 O PRO A 402 -2.509 18.426 0.582 1.00 53.24 O ATOM 121 CB PRO A 402 -0.300 20.976 1.080 1.00 21.33 C ATOM 122 CG PRO A 402 0.492 20.058 0.245 1.00 34.00 C ATOM 123 CD PRO A 402 0.709 18.815 1.087 1.00 73.13 C ATOM 0 HA PRO A 402 -1.728 20.503 2.711 1.00 50.20 H new ATOM 0 HB2 PRO A 402 -0.851 21.695 0.473 1.00 21.33 H new ATOM 0 HB3 PRO A 402 0.334 21.549 1.757 1.00 21.33 H new ATOM 0 HG2 PRO A 402 -0.034 19.817 -0.679 1.00 34.00 H new ATOM 0 HG3 PRO A 402 1.443 20.509 -0.038 1.00 34.00 H new ATOM 0 HD2 PRO A 402 0.565 17.904 0.506 1.00 73.13 H new ATOM 0 HD3 PRO A 402 1.719 18.776 1.495 1.00 73.13 H new ATOM 131 N GLU A 403 -3.407 20.509 0.827 1.00 30.10 N ATOM 132 CA GLU A 403 -4.460 20.386 -0.160 1.00 4.30 C ATOM 133 C GLU A 403 -3.782 20.180 -1.549 1.00 4.25 C ATOM 134 O GLU A 403 -2.959 20.995 -2.001 1.00 11.33 O ATOM 135 CB GLU A 403 -5.361 21.669 -0.021 1.00 71.32 C ATOM 136 CG GLU A 403 -5.296 22.748 -1.124 1.00 63.13 C ATOM 137 CD GLU A 403 -6.167 22.432 -2.330 1.00 33.53 C ATOM 138 OE1 GLU A 403 -7.397 22.354 -2.168 1.00 61.04 O ATOM 139 OE2 GLU A 403 -5.614 22.252 -3.430 1.00 72.22 O ATOM 0 H GLU A 403 -3.467 21.365 1.379 1.00 30.10 H new ATOM 0 HA GLU A 403 -5.118 19.528 -0.025 1.00 4.30 H new ATOM 0 HB2 GLU A 403 -6.397 21.338 0.056 1.00 71.32 H new ATOM 0 HB3 GLU A 403 -5.109 22.148 0.925 1.00 71.32 H new ATOM 0 HG2 GLU A 403 -5.604 23.706 -0.704 1.00 63.13 H new ATOM 0 HG3 GLU A 403 -4.262 22.861 -1.451 1.00 63.13 H new ATOM 146 N GLY A 404 -4.007 19.006 -2.125 1.00 41.44 N ATOM 147 CA GLY A 404 -3.452 18.705 -3.413 1.00 32.24 C ATOM 148 C GLY A 404 -3.103 17.233 -3.642 1.00 74.53 C ATOM 149 O GLY A 404 -3.803 16.540 -4.380 1.00 12.31 O ATOM 0 H GLY A 404 -4.568 18.259 -1.714 1.00 41.44 H new ATOM 0 HA2 GLY A 404 -4.162 19.017 -4.179 1.00 32.24 H new ATOM 0 HA3 GLY A 404 -2.550 19.302 -3.551 1.00 32.24 H new ATOM 153 N ALA A 405 -2.032 16.743 -2.977 1.00 41.32 N ATOM 154 CA ALA A 405 -1.385 15.488 -3.371 1.00 62.32 C ATOM 155 C ALA A 405 -1.941 14.259 -2.571 1.00 75.42 C ATOM 156 O ALA A 405 -1.700 14.154 -1.360 1.00 41.33 O ATOM 157 CB ALA A 405 0.081 15.704 -2.994 1.00 12.12 C ATOM 0 H ALA A 405 -1.606 17.200 -2.171 1.00 41.32 H new ATOM 0 HA ALA A 405 -1.552 15.268 -4.425 1.00 62.32 H new ATOM 0 HB1 ALA A 405 0.657 14.815 -3.250 1.00 12.12 H new ATOM 0 HB2 ALA A 405 0.475 16.561 -3.540 1.00 12.12 H new ATOM 0 HB3 ALA A 405 0.158 15.890 -1.923 1.00 12.12 H new ATOM 163 N ASN A 406 -2.680 13.326 -3.244 1.00 33.01 N ATOM 164 CA ASN A 406 -3.027 11.935 -2.692 1.00 63.11 C ATOM 165 C ASN A 406 -3.322 10.893 -3.832 1.00 13.22 C ATOM 166 O ASN A 406 -4.297 11.077 -4.561 1.00 12.12 O ATOM 167 CB ASN A 406 -4.264 12.080 -1.720 1.00 1.10 C ATOM 168 CG ASN A 406 -5.011 13.399 -1.832 1.00 72.51 C ATOM 169 OD1 ASN A 406 -5.688 13.673 -2.824 1.00 73.20 O ATOM 170 ND2 ASN A 406 -4.909 14.204 -0.770 1.00 31.30 N ATOM 0 H ASN A 406 -3.058 13.493 -4.176 1.00 33.01 H new ATOM 0 HA ASN A 406 -2.165 11.548 -2.149 1.00 63.11 H new ATOM 0 HB2 ASN A 406 -4.961 11.266 -1.918 1.00 1.10 H new ATOM 0 HB3 ASN A 406 -3.918 11.961 -0.693 1.00 1.10 H new ATOM 0 HD21 ASN A 406 -5.406 15.094 -0.755 1.00 31.30 H new ATOM 0 HD22 ASN A 406 -4.334 13.928 0.026 1.00 31.30 H new ATOM 177 N LEU A 407 -2.516 9.778 -4.001 1.00 64.20 N ATOM 178 CA LEU A 407 -2.815 8.752 -5.032 1.00 4.10 C ATOM 179 C LEU A 407 -3.121 7.332 -4.389 1.00 64.44 C ATOM 180 O LEU A 407 -2.272 6.848 -3.639 1.00 11.34 O ATOM 181 CB LEU A 407 -1.553 8.603 -5.912 1.00 21.11 C ATOM 182 CG LEU A 407 -1.126 9.770 -6.819 1.00 33.32 C ATOM 183 CD1 LEU A 407 -2.310 10.445 -7.505 1.00 4.31 C ATOM 184 CD2 LEU A 407 -0.275 10.777 -6.075 1.00 34.11 C ATOM 0 H LEU A 407 -1.683 9.587 -3.445 1.00 64.20 H new ATOM 0 HA LEU A 407 -3.692 9.070 -5.595 1.00 4.10 H new ATOM 0 HB2 LEU A 407 -0.716 8.379 -5.250 1.00 21.11 H new ATOM 0 HB3 LEU A 407 -1.698 7.730 -6.548 1.00 21.11 H new ATOM 0 HG LEU A 407 -0.512 9.334 -7.607 1.00 33.32 H new ATOM 0 HD11 LEU A 407 -1.950 11.261 -8.132 1.00 4.31 H new ATOM 0 HD12 LEU A 407 -2.836 9.717 -8.123 1.00 4.31 H new ATOM 0 HD13 LEU A 407 -2.991 10.840 -6.751 1.00 4.31 H new ATOM 0 HD21 LEU A 407 0.006 11.585 -6.750 1.00 34.11 H new ATOM 0 HD22 LEU A 407 -0.842 11.184 -5.238 1.00 34.11 H new ATOM 0 HD23 LEU A 407 0.624 10.288 -5.701 1.00 34.11 H new ATOM 196 N PHE A 408 -4.287 6.632 -4.666 1.00 30.31 N ATOM 197 CA PHE A 408 -4.472 5.212 -4.155 1.00 14.23 C ATOM 198 C PHE A 408 -4.568 4.170 -5.324 1.00 52.11 C ATOM 199 O PHE A 408 -4.882 4.540 -6.462 1.00 42.52 O ATOM 200 CB PHE A 408 -5.643 5.041 -3.105 1.00 62.34 C ATOM 201 CG PHE A 408 -5.547 5.969 -1.880 1.00 11.32 C ATOM 202 CD1 PHE A 408 -4.320 6.215 -1.247 1.00 72.21 C ATOM 203 CD2 PHE A 408 -6.676 6.609 -1.377 1.00 12.42 C ATOM 204 CE1 PHE A 408 -4.214 7.073 -0.154 1.00 21.30 C ATOM 205 CE2 PHE A 408 -6.581 7.463 -0.288 1.00 2.53 C ATOM 206 CZ PHE A 408 -5.350 7.701 0.318 1.00 64.03 C ATOM 0 H PHE A 408 -5.069 7.001 -5.207 1.00 30.31 H new ATOM 0 HA PHE A 408 -3.562 4.995 -3.596 1.00 14.23 H new ATOM 0 HB2 PHE A 408 -6.593 5.222 -3.608 1.00 62.34 H new ATOM 0 HB3 PHE A 408 -5.656 4.007 -2.761 1.00 62.34 H new ATOM 0 HD1 PHE A 408 -3.431 5.725 -1.617 1.00 72.21 H new ATOM 0 HD2 PHE A 408 -7.637 6.439 -1.840 1.00 12.42 H new ATOM 0 HE1 PHE A 408 -3.257 7.244 0.317 1.00 21.30 H new ATOM 0 HE2 PHE A 408 -7.468 7.947 0.093 1.00 2.53 H new ATOM 0 HZ PHE A 408 -5.284 8.377 1.158 1.00 64.03 H new ATOM 216 N ILE A 409 -4.281 2.863 -5.033 1.00 23.20 N ATOM 217 CA ILE A 409 -3.967 1.823 -6.126 1.00 33.33 C ATOM 218 C ILE A 409 -5.117 0.722 -6.139 1.00 34.53 C ATOM 219 O ILE A 409 -5.284 0.055 -5.127 1.00 73.45 O ATOM 220 CB ILE A 409 -2.491 1.086 -5.961 1.00 60.51 C ATOM 221 CG1 ILE A 409 -1.195 1.983 -6.270 1.00 24.10 C ATOM 222 CG2 ILE A 409 -2.320 -0.210 -6.835 1.00 11.33 C ATOM 223 CD1 ILE A 409 -1.112 3.476 -5.887 1.00 14.30 C ATOM 0 H ILE A 409 -4.255 2.489 -4.084 1.00 23.20 H new ATOM 0 HA ILE A 409 -3.925 2.367 -7.070 1.00 33.33 H new ATOM 0 HB ILE A 409 -2.523 0.861 -4.895 1.00 60.51 H new ATOM 0 HG12 ILE A 409 -0.351 1.489 -5.788 1.00 24.10 H new ATOM 0 HG13 ILE A 409 -1.025 1.926 -7.345 1.00 24.10 H new ATOM 0 HG21 ILE A 409 -1.329 -0.632 -6.670 1.00 11.33 H new ATOM 0 HG22 ILE A 409 -3.077 -0.942 -6.553 1.00 11.33 H new ATOM 0 HG23 ILE A 409 -2.436 0.044 -7.889 1.00 11.33 H new ATOM 0 HD11 ILE A 409 -0.146 3.877 -6.193 1.00 14.30 H new ATOM 0 HD12 ILE A 409 -1.908 4.025 -6.390 1.00 14.30 H new ATOM 0 HD13 ILE A 409 -1.224 3.582 -4.808 1.00 14.30 H new ATOM 235 N TYR A 410 -5.947 0.541 -7.238 1.00 34.54 N ATOM 236 CA TYR A 410 -6.799 -0.687 -7.376 1.00 51.13 C ATOM 237 C TYR A 410 -6.070 -1.693 -8.294 1.00 5.22 C ATOM 238 O TYR A 410 -5.332 -1.271 -9.198 1.00 43.34 O ATOM 239 CB TYR A 410 -8.212 -0.378 -8.005 1.00 3.04 C ATOM 240 CG TYR A 410 -9.372 0.178 -7.181 1.00 50.53 C ATOM 241 CD1 TYR A 410 -9.277 0.799 -5.934 1.00 31.14 C ATOM 242 CD2 TYR A 410 -10.644 0.029 -7.727 1.00 24.51 C ATOM 243 CE1 TYR A 410 -10.410 1.237 -5.273 1.00 1.32 C ATOM 244 CE2 TYR A 410 -11.766 0.473 -7.080 1.00 43.13 C ATOM 245 CZ TYR A 410 -11.651 1.075 -5.849 1.00 73.41 C ATOM 246 OH TYR A 410 -12.778 1.502 -5.185 1.00 24.24 O ATOM 0 H TYR A 410 -6.035 1.207 -8.005 1.00 34.54 H new ATOM 0 HA TYR A 410 -6.958 -1.090 -6.376 1.00 51.13 H new ATOM 0 HB2 TYR A 410 -8.044 0.325 -8.821 1.00 3.04 H new ATOM 0 HB3 TYR A 410 -8.564 -1.307 -8.453 1.00 3.04 H new ATOM 0 HD1 TYR A 410 -8.307 0.939 -5.480 1.00 31.14 H new ATOM 0 HD2 TYR A 410 -10.749 -0.451 -8.689 1.00 24.51 H new ATOM 0 HE1 TYR A 410 -10.322 1.706 -4.304 1.00 1.32 H new ATOM 0 HE2 TYR A 410 -12.738 0.351 -7.535 1.00 43.13 H new ATOM 0 HH TYR A 410 -13.570 1.314 -5.730 1.00 24.24 H new ATOM 256 N HIS A 411 -6.266 -3.035 -8.008 1.00 41.44 N ATOM 257 CA HIS A 411 -5.642 -4.161 -8.775 1.00 54.33 C ATOM 258 C HIS A 411 -4.117 -4.201 -8.622 1.00 62.10 C ATOM 259 O HIS A 411 -3.377 -3.991 -9.593 1.00 12.11 O ATOM 260 CB HIS A 411 -5.998 -4.159 -10.262 1.00 1.14 C ATOM 261 CG HIS A 411 -7.436 -4.422 -10.594 1.00 2.21 C ATOM 262 ND1 HIS A 411 -8.302 -5.133 -9.785 1.00 15.34 N ATOM 263 CD2 HIS A 411 -8.167 -4.014 -11.652 1.00 72.42 C ATOM 264 CE1 HIS A 411 -9.504 -5.151 -10.342 1.00 73.21 C ATOM 265 NE2 HIS A 411 -9.447 -4.475 -11.476 1.00 74.25 N ATOM 0 H HIS A 411 -6.860 -3.352 -7.242 1.00 41.44 H new ATOM 0 HA HIS A 411 -6.069 -5.059 -8.329 1.00 54.33 H new ATOM 0 HB2 HIS A 411 -5.720 -3.192 -10.680 1.00 1.14 H new ATOM 0 HB3 HIS A 411 -5.387 -4.910 -10.763 1.00 1.14 H new ATOM 0 HD2 HIS A 411 -7.809 -3.430 -12.487 1.00 72.42 H new ATOM 0 HE1 HIS A 411 -10.381 -5.635 -9.938 1.00 73.21 H new ATOM 0 HE2 HIS A 411 -10.227 -4.321 -12.115 1.00 74.25 H new ATOM 274 N LEU A 412 -3.657 -4.433 -7.395 1.00 45.21 N ATOM 275 CA LEU A 412 -2.230 -4.452 -7.078 1.00 65.03 C ATOM 276 C LEU A 412 -1.586 -5.735 -7.661 1.00 2.34 C ATOM 277 O LEU A 412 -2.089 -6.832 -7.388 1.00 62.34 O ATOM 278 CB LEU A 412 -2.010 -4.303 -5.528 1.00 62.04 C ATOM 279 CG LEU A 412 -0.600 -4.626 -4.976 1.00 40.42 C ATOM 280 CD1 LEU A 412 -0.059 -3.505 -4.089 1.00 55.11 C ATOM 281 CD2 LEU A 412 -0.591 -5.926 -4.154 1.00 2.24 C ATOM 0 H LEU A 412 -4.261 -4.613 -6.593 1.00 45.21 H new ATOM 0 HA LEU A 412 -1.733 -3.600 -7.542 1.00 65.03 H new ATOM 0 HB2 LEU A 412 -2.254 -3.278 -5.250 1.00 62.04 H new ATOM 0 HB3 LEU A 412 -2.727 -4.950 -5.022 1.00 62.04 H new ATOM 0 HG LEU A 412 0.037 -4.738 -5.853 1.00 40.42 H new ATOM 0 HD11 LEU A 412 0.932 -3.776 -3.725 1.00 55.11 H new ATOM 0 HD12 LEU A 412 0.006 -2.583 -4.667 1.00 55.11 H new ATOM 0 HD13 LEU A 412 -0.729 -3.356 -3.242 1.00 55.11 H new ATOM 0 HD21 LEU A 412 0.417 -6.116 -3.785 1.00 2.24 H new ATOM 0 HD22 LEU A 412 -1.274 -5.828 -3.310 1.00 2.24 H new ATOM 0 HD23 LEU A 412 -0.910 -6.757 -4.784 1.00 2.24 H new ATOM 293 N PRO A 413 -0.520 -5.640 -8.536 1.00 13.24 N ATOM 294 CA PRO A 413 0.142 -6.828 -9.098 1.00 33.21 C ATOM 295 C PRO A 413 1.024 -7.662 -8.128 1.00 11.50 C ATOM 296 O PRO A 413 1.148 -7.349 -6.947 1.00 54.40 O ATOM 297 CB PRO A 413 0.859 -6.340 -10.318 1.00 11.25 C ATOM 298 CG PRO A 413 1.154 -4.929 -10.088 1.00 20.31 C ATOM 299 CD PRO A 413 0.129 -4.389 -9.112 1.00 72.24 C ATOM 0 HA PRO A 413 -0.610 -7.580 -9.339 1.00 33.21 H new ATOM 0 HB2 PRO A 413 1.776 -6.906 -10.482 1.00 11.25 H new ATOM 0 HB3 PRO A 413 0.242 -6.467 -11.208 1.00 11.25 H new ATOM 0 HG2 PRO A 413 2.161 -4.811 -9.687 1.00 20.31 H new ATOM 0 HG3 PRO A 413 1.117 -4.374 -11.026 1.00 20.31 H new ATOM 0 HD2 PRO A 413 0.597 -3.787 -8.333 1.00 72.24 H new ATOM 0 HD3 PRO A 413 -0.602 -3.753 -9.611 1.00 72.24 H new ATOM 307 N GLN A 414 1.650 -8.708 -8.704 1.00 21.33 N ATOM 308 CA GLN A 414 1.915 -10.048 -8.144 1.00 12.31 C ATOM 309 C GLN A 414 2.122 -10.268 -6.588 1.00 23.11 C ATOM 310 O GLN A 414 1.258 -10.925 -6.005 1.00 54.52 O ATOM 311 CB GLN A 414 3.219 -10.469 -8.903 1.00 3.02 C ATOM 312 CG GLN A 414 4.218 -9.315 -9.242 1.00 11.03 C ATOM 313 CD GLN A 414 5.385 -9.187 -8.289 1.00 60.32 C ATOM 314 OE1 GLN A 414 5.860 -10.179 -7.740 1.00 33.04 O ATOM 315 NE2 GLN A 414 5.834 -7.953 -8.081 1.00 72.13 N ATOM 0 H GLN A 414 2.014 -8.630 -9.654 1.00 21.33 H new ATOM 0 HA GLN A 414 1.003 -10.630 -8.281 1.00 12.31 H new ATOM 0 HB2 GLN A 414 3.743 -11.211 -8.300 1.00 3.02 H new ATOM 0 HB3 GLN A 414 2.932 -10.959 -9.833 1.00 3.02 H new ATOM 0 HG2 GLN A 414 4.605 -9.472 -10.249 1.00 11.03 H new ATOM 0 HG3 GLN A 414 3.672 -8.372 -9.254 1.00 11.03 H new ATOM 0 HE21 GLN A 414 5.402 -7.165 -8.564 1.00 72.13 H new ATOM 0 HE22 GLN A 414 6.610 -7.794 -7.439 1.00 72.13 H new ATOM 324 N GLU A 415 3.171 -9.782 -5.892 1.00 21.43 N ATOM 325 CA GLU A 415 3.147 -9.783 -4.394 1.00 12.52 C ATOM 326 C GLU A 415 3.231 -8.367 -3.774 1.00 12.25 C ATOM 327 O GLU A 415 3.326 -8.275 -2.544 1.00 41.30 O ATOM 328 CB GLU A 415 4.218 -10.765 -3.782 1.00 22.23 C ATOM 329 CG GLU A 415 5.601 -10.183 -3.426 1.00 42.44 C ATOM 330 CD GLU A 415 6.410 -9.673 -4.607 1.00 44.51 C ATOM 331 OE1 GLU A 415 7.134 -10.489 -5.221 1.00 60.01 O ATOM 332 OE2 GLU A 415 6.339 -8.460 -4.902 1.00 64.02 O ATOM 0 H GLU A 415 4.017 -9.396 -6.311 1.00 21.43 H new ATOM 0 HA GLU A 415 2.165 -10.166 -4.117 1.00 12.52 H new ATOM 0 HB2 GLU A 415 3.795 -11.202 -2.878 1.00 22.23 H new ATOM 0 HB3 GLU A 415 4.369 -11.580 -4.489 1.00 22.23 H new ATOM 0 HG2 GLU A 415 5.462 -9.364 -2.720 1.00 42.44 H new ATOM 0 HG3 GLU A 415 6.180 -10.951 -2.914 1.00 42.44 H new ATOM 339 N PHE A 416 2.987 -7.293 -4.579 1.00 32.51 N ATOM 340 CA PHE A 416 3.782 -6.004 -4.443 1.00 53.42 C ATOM 341 C PHE A 416 3.750 -5.451 -2.971 1.00 61.31 C ATOM 342 O PHE A 416 2.743 -4.869 -2.554 1.00 43.14 O ATOM 343 CB PHE A 416 3.229 -4.858 -5.391 1.00 54.22 C ATOM 344 CG PHE A 416 4.039 -4.291 -6.542 1.00 23.30 C ATOM 345 CD1 PHE A 416 5.085 -4.934 -7.228 1.00 33.14 C ATOM 346 CD2 PHE A 416 3.647 -3.030 -6.969 1.00 12.11 C ATOM 347 CE1 PHE A 416 5.700 -4.307 -8.301 1.00 74.40 C ATOM 348 CE2 PHE A 416 4.243 -2.413 -8.046 1.00 23.24 C ATOM 349 CZ PHE A 416 5.279 -3.045 -8.714 1.00 4.13 C ATOM 0 H PHE A 416 2.275 -7.276 -5.309 1.00 32.51 H new ATOM 0 HA PHE A 416 4.802 -6.263 -4.728 1.00 53.42 H new ATOM 0 HB2 PHE A 416 2.297 -5.229 -5.818 1.00 54.22 H new ATOM 0 HB3 PHE A 416 2.972 -4.017 -4.747 1.00 54.22 H new ATOM 0 HD1 PHE A 416 5.409 -5.917 -6.919 1.00 33.14 H new ATOM 0 HD2 PHE A 416 2.854 -2.519 -6.443 1.00 12.11 H new ATOM 0 HE1 PHE A 416 6.510 -4.800 -8.819 1.00 74.40 H new ATOM 0 HE2 PHE A 416 3.904 -1.440 -8.369 1.00 23.24 H new ATOM 0 HZ PHE A 416 5.759 -2.561 -9.552 1.00 4.13 H new ATOM 359 N GLY A 417 4.855 -5.653 -2.177 1.00 52.44 N ATOM 360 CA GLY A 417 4.857 -5.284 -0.761 1.00 23.45 C ATOM 361 C GLY A 417 5.596 -3.961 -0.459 1.00 63.35 C ATOM 362 O GLY A 417 5.937 -3.244 -1.404 1.00 31.43 O ATOM 0 H GLY A 417 5.728 -6.063 -2.508 1.00 52.44 H new ATOM 0 HA2 GLY A 417 3.826 -5.200 -0.416 1.00 23.45 H new ATOM 0 HA3 GLY A 417 5.320 -6.087 -0.187 1.00 23.45 H new ATOM 366 N ASP A 418 5.825 -3.644 0.867 1.00 71.03 N ATOM 367 CA ASP A 418 6.381 -2.317 1.346 1.00 42.42 C ATOM 368 C ASP A 418 7.655 -1.864 0.587 1.00 20.24 C ATOM 369 O ASP A 418 7.699 -0.740 0.072 1.00 25.43 O ATOM 370 CB ASP A 418 6.670 -2.319 2.892 1.00 42.23 C ATOM 371 CG ASP A 418 6.996 -0.949 3.464 1.00 33.13 C ATOM 372 OD1 ASP A 418 6.054 -0.186 3.753 1.00 1.12 O ATOM 373 OD2 ASP A 418 8.196 -0.675 3.686 1.00 41.30 O ATOM 0 H ASP A 418 5.631 -4.295 1.628 1.00 71.03 H new ATOM 0 HA ASP A 418 5.593 -1.596 1.127 1.00 42.42 H new ATOM 0 HB2 ASP A 418 5.801 -2.721 3.413 1.00 42.23 H new ATOM 0 HB3 ASP A 418 7.503 -2.993 3.094 1.00 42.23 H new ATOM 378 N GLN A 419 8.665 -2.759 0.519 1.00 71.51 N ATOM 379 CA GLN A 419 9.957 -2.485 -0.151 1.00 21.21 C ATOM 380 C GLN A 419 9.816 -2.016 -1.617 1.00 52.31 C ATOM 381 O GLN A 419 10.493 -1.059 -1.992 1.00 70.24 O ATOM 382 CB GLN A 419 10.957 -3.675 -0.060 1.00 53.02 C ATOM 383 CG GLN A 419 10.675 -4.894 -0.990 1.00 20.33 C ATOM 384 CD GLN A 419 11.775 -5.134 -2.018 1.00 14.23 C ATOM 385 OE1 GLN A 419 11.992 -6.271 -2.434 1.00 42.04 O ATOM 386 NE2 GLN A 419 12.486 -4.087 -2.437 1.00 51.11 N ATOM 0 H GLN A 419 8.608 -3.692 0.927 1.00 71.51 H new ATOM 0 HA GLN A 419 10.372 -1.651 0.414 1.00 21.21 H new ATOM 0 HB2 GLN A 419 11.955 -3.299 -0.284 1.00 53.02 H new ATOM 0 HB3 GLN A 419 10.973 -4.029 0.971 1.00 53.02 H new ATOM 0 HG2 GLN A 419 10.557 -5.789 -0.379 1.00 20.33 H new ATOM 0 HG3 GLN A 419 9.730 -4.735 -1.509 1.00 20.33 H new ATOM 0 HE21 GLN A 419 12.284 -3.155 -2.075 1.00 51.11 H new ATOM 0 HE22 GLN A 419 13.232 -4.218 -3.120 1.00 51.11 H new ATOM 395 N ASP A 420 8.948 -2.660 -2.435 1.00 14.12 N ATOM 396 CA ASP A 420 8.811 -2.233 -3.855 1.00 63.22 C ATOM 397 C ASP A 420 8.245 -0.829 -3.986 1.00 72.33 C ATOM 398 O ASP A 420 8.848 -0.027 -4.707 1.00 2.13 O ATOM 399 CB ASP A 420 8.036 -3.177 -4.810 1.00 64.03 C ATOM 400 CG ASP A 420 7.508 -2.457 -6.035 1.00 14.02 C ATOM 401 OD1 ASP A 420 6.398 -1.917 -5.975 1.00 2.20 O ATOM 402 OD2 ASP A 420 8.217 -2.391 -7.026 1.00 44.24 O ATOM 0 H ASP A 420 8.356 -3.442 -2.157 1.00 14.12 H new ATOM 0 HA ASP A 420 9.848 -2.271 -4.189 1.00 63.22 H new ATOM 0 HB2 ASP A 420 8.692 -3.989 -5.124 1.00 64.03 H new ATOM 0 HB3 ASP A 420 7.203 -3.630 -4.272 1.00 64.03 H new ATOM 407 N ILE A 421 7.107 -0.536 -3.295 1.00 73.44 N ATOM 408 CA ILE A 421 6.354 0.717 -3.517 1.00 22.45 C ATOM 409 C ILE A 421 7.236 1.980 -3.249 1.00 54.14 C ATOM 410 O ILE A 421 6.923 3.073 -3.730 1.00 12.33 O ATOM 411 CB ILE A 421 4.970 0.764 -2.662 1.00 2.24 C ATOM 412 CG1 ILE A 421 3.678 0.955 -3.542 1.00 2.25 C ATOM 413 CG2 ILE A 421 4.954 1.799 -1.523 1.00 75.53 C ATOM 414 CD1 ILE A 421 2.393 1.317 -2.801 1.00 1.21 C ATOM 0 H ILE A 421 6.700 -1.149 -2.588 1.00 73.44 H new ATOM 0 HA ILE A 421 6.077 0.730 -4.571 1.00 22.45 H new ATOM 0 HB ILE A 421 4.945 -0.230 -2.215 1.00 2.24 H new ATOM 0 HG12 ILE A 421 3.879 1.735 -4.277 1.00 2.25 H new ATOM 0 HG13 ILE A 421 3.504 0.032 -4.096 1.00 2.25 H new ATOM 0 HG21 ILE A 421 3.994 1.759 -1.009 1.00 75.53 H new ATOM 0 HG22 ILE A 421 5.753 1.575 -0.817 1.00 75.53 H new ATOM 0 HG23 ILE A 421 5.103 2.797 -1.936 1.00 75.53 H new ATOM 0 HD11 ILE A 421 1.577 1.421 -3.516 1.00 1.21 H new ATOM 0 HD12 ILE A 421 2.151 0.530 -2.086 1.00 1.21 H new ATOM 0 HD13 ILE A 421 2.532 2.259 -2.270 1.00 1.21 H new ATOM 426 N LEU A 422 8.381 1.792 -2.556 1.00 4.30 N ATOM 427 CA LEU A 422 9.185 2.877 -2.110 1.00 62.51 C ATOM 428 C LEU A 422 10.176 3.266 -3.240 1.00 70.05 C ATOM 429 O LEU A 422 10.487 4.430 -3.426 1.00 51.25 O ATOM 430 CB LEU A 422 9.901 2.538 -0.737 1.00 75.24 C ATOM 431 CG LEU A 422 10.887 3.608 -0.160 1.00 22.22 C ATOM 432 CD1 LEU A 422 10.248 4.993 0.089 1.00 51.53 C ATOM 433 CD2 LEU A 422 11.529 3.196 1.167 1.00 75.20 C ATOM 0 H LEU A 422 8.746 0.873 -2.306 1.00 4.30 H new ATOM 0 HA LEU A 422 8.559 3.744 -1.901 1.00 62.51 H new ATOM 0 HB2 LEU A 422 9.129 2.353 0.010 1.00 75.24 H new ATOM 0 HB3 LEU A 422 10.451 1.606 -0.864 1.00 75.24 H new ATOM 0 HG LEU A 422 11.635 3.676 -0.950 1.00 22.22 H new ATOM 0 HD11 LEU A 422 11.000 5.674 0.488 1.00 51.53 H new ATOM 0 HD12 LEU A 422 9.862 5.389 -0.850 1.00 51.53 H new ATOM 0 HD13 LEU A 422 9.432 4.894 0.804 1.00 51.53 H new ATOM 0 HD21 LEU A 422 12.200 3.985 1.507 1.00 75.20 H new ATOM 0 HD22 LEU A 422 10.751 3.035 1.913 1.00 75.20 H new ATOM 0 HD23 LEU A 422 12.094 2.275 1.027 1.00 75.20 H new ATOM 445 N GLN A 423 10.624 2.240 -3.990 1.00 23.31 N ATOM 446 CA GLN A 423 11.570 2.389 -5.164 1.00 41.33 C ATOM 447 C GLN A 423 10.867 2.639 -6.516 1.00 32.31 C ATOM 448 O GLN A 423 11.223 3.583 -7.210 1.00 42.51 O ATOM 449 CB GLN A 423 12.466 1.132 -5.391 1.00 44.15 C ATOM 450 CG GLN A 423 13.435 0.740 -4.270 1.00 10.32 C ATOM 451 CD GLN A 423 13.480 -0.780 -3.993 1.00 71.14 C ATOM 452 OE1 GLN A 423 14.521 -1.280 -3.564 1.00 65.30 O ATOM 453 NE2 GLN A 423 12.387 -1.559 -4.227 1.00 44.15 N ATOM 0 H GLN A 423 10.352 1.273 -3.815 1.00 23.31 H new ATOM 0 HA GLN A 423 12.162 3.258 -4.876 1.00 41.33 H new ATOM 0 HB2 GLN A 423 11.811 0.282 -5.581 1.00 44.15 H new ATOM 0 HB3 GLN A 423 13.049 1.294 -6.298 1.00 44.15 H new ATOM 0 HG2 GLN A 423 14.436 1.083 -4.530 1.00 10.32 H new ATOM 0 HG3 GLN A 423 13.148 1.259 -3.355 1.00 10.32 H new ATOM 0 HE21 GLN A 423 11.528 -1.139 -4.582 1.00 44.15 H new ATOM 0 HE22 GLN A 423 12.428 -2.562 -4.047 1.00 44.15 H new ATOM 462 N MET A 424 9.943 1.735 -6.943 1.00 21.45 N ATOM 463 CA MET A 424 9.280 1.857 -8.308 1.00 3.12 C ATOM 464 C MET A 424 8.455 3.199 -8.451 1.00 5.33 C ATOM 465 O MET A 424 8.217 3.657 -9.570 1.00 3.14 O ATOM 466 CB MET A 424 8.411 0.563 -8.728 1.00 63.30 C ATOM 467 CG MET A 424 7.844 0.494 -10.207 1.00 31.24 C ATOM 468 SD MET A 424 9.134 0.359 -11.449 1.00 62.24 S ATOM 469 CE MET A 424 9.040 -1.395 -11.792 1.00 23.11 C ATOM 0 H MET A 424 9.636 0.932 -6.395 1.00 21.45 H new ATOM 0 HA MET A 424 10.100 1.901 -9.025 1.00 3.12 H new ATOM 0 HB2 MET A 424 9.028 -0.321 -8.566 1.00 63.30 H new ATOM 0 HB3 MET A 424 7.566 0.492 -8.043 1.00 63.30 H new ATOM 0 HG2 MET A 424 7.174 -0.361 -10.293 1.00 31.24 H new ATOM 0 HG3 MET A 424 7.250 1.386 -10.404 1.00 31.24 H new ATOM 0 HE1 MET A 424 9.779 -1.658 -12.549 1.00 23.11 H new ATOM 0 HE2 MET A 424 9.241 -1.956 -10.879 1.00 23.11 H new ATOM 0 HE3 MET A 424 8.043 -1.641 -12.157 1.00 23.11 H new ATOM 479 N PHE A 425 8.046 3.859 -7.329 1.00 63.54 N ATOM 480 CA PHE A 425 7.272 5.116 -7.389 1.00 33.35 C ATOM 481 C PHE A 425 8.195 6.341 -7.049 1.00 42.24 C ATOM 482 O PHE A 425 7.754 7.488 -7.041 1.00 1.23 O ATOM 483 CB PHE A 425 6.046 4.888 -6.475 1.00 23.51 C ATOM 484 CG PHE A 425 4.678 4.760 -7.163 1.00 1.40 C ATOM 485 CD1 PHE A 425 4.244 3.519 -7.658 1.00 60.23 C ATOM 486 CD2 PHE A 425 3.801 5.848 -7.301 1.00 63.25 C ATOM 487 CE1 PHE A 425 3.009 3.378 -8.268 1.00 53.24 C ATOM 488 CE2 PHE A 425 2.577 5.687 -7.908 1.00 15.41 C ATOM 489 CZ PHE A 425 2.179 4.460 -8.382 1.00 12.12 C ATOM 0 H PHE A 425 8.243 3.536 -6.382 1.00 63.54 H new ATOM 0 HA PHE A 425 6.900 5.372 -8.381 1.00 33.35 H new ATOM 0 HB2 PHE A 425 6.220 3.982 -5.895 1.00 23.51 H new ATOM 0 HB3 PHE A 425 5.993 5.715 -5.767 1.00 23.51 H new ATOM 0 HD1 PHE A 425 4.887 2.657 -7.561 1.00 60.23 H new ATOM 0 HD2 PHE A 425 4.090 6.819 -6.927 1.00 63.25 H new ATOM 0 HE1 PHE A 425 2.702 2.417 -8.653 1.00 53.24 H new ATOM 0 HE2 PHE A 425 1.919 6.537 -8.014 1.00 15.41 H new ATOM 0 HZ PHE A 425 1.210 4.349 -8.845 1.00 12.12 H new ATOM 499 N MET A 426 9.503 6.061 -6.787 1.00 14.23 N ATOM 500 CA MET A 426 10.499 7.035 -6.270 1.00 2.54 C ATOM 501 C MET A 426 10.976 8.139 -7.271 1.00 34.15 C ATOM 502 O MET A 426 10.991 9.294 -6.850 1.00 63.03 O ATOM 503 CB MET A 426 11.780 6.331 -5.790 1.00 1.42 C ATOM 504 CG MET A 426 12.322 6.886 -4.487 1.00 14.03 C ATOM 505 SD MET A 426 13.865 6.118 -3.966 1.00 12.52 S ATOM 506 CE MET A 426 14.160 6.965 -2.411 1.00 53.14 C ATOM 0 H MET A 426 9.899 5.132 -6.933 1.00 14.23 H new ATOM 0 HA MET A 426 9.944 7.519 -5.467 1.00 2.54 H new ATOM 0 HB2 MET A 426 11.576 5.267 -5.666 1.00 1.42 H new ATOM 0 HB3 MET A 426 12.545 6.421 -6.561 1.00 1.42 H new ATOM 0 HG2 MET A 426 12.478 7.959 -4.595 1.00 14.03 H new ATOM 0 HG3 MET A 426 11.575 6.750 -3.705 1.00 14.03 H new ATOM 0 HE1 MET A 426 15.084 6.596 -1.965 1.00 53.14 H new ATOM 0 HE2 MET A 426 14.246 8.037 -2.591 1.00 53.14 H new ATOM 0 HE3 MET A 426 13.329 6.777 -1.731 1.00 53.14 H new ATOM 516 N PRO A 427 11.459 7.802 -8.558 1.00 3.31 N ATOM 517 CA PRO A 427 12.195 8.740 -9.503 1.00 45.33 C ATOM 518 C PRO A 427 11.529 10.129 -9.860 1.00 25.21 C ATOM 519 O PRO A 427 12.091 10.876 -10.663 1.00 14.25 O ATOM 520 CB PRO A 427 12.391 7.822 -10.762 1.00 51.23 C ATOM 521 CG PRO A 427 11.281 6.864 -10.649 1.00 50.11 C ATOM 522 CD PRO A 427 11.386 6.473 -9.224 1.00 5.13 C ATOM 0 HA PRO A 427 13.103 9.115 -9.030 1.00 45.33 H new ATOM 0 HB2 PRO A 427 12.339 8.392 -11.689 1.00 51.23 H new ATOM 0 HB3 PRO A 427 13.359 7.321 -10.750 1.00 51.23 H new ATOM 0 HG2 PRO A 427 10.318 7.320 -10.881 1.00 50.11 H new ATOM 0 HG3 PRO A 427 11.401 6.013 -11.320 1.00 50.11 H new ATOM 0 HD2 PRO A 427 10.524 5.895 -8.892 1.00 5.13 H new ATOM 0 HD3 PRO A 427 12.271 5.867 -9.029 1.00 5.13 H new ATOM 530 N PHE A 428 10.353 10.483 -9.279 1.00 72.43 N ATOM 531 CA PHE A 428 9.767 11.852 -9.425 1.00 14.13 C ATOM 532 C PHE A 428 9.684 12.692 -8.091 1.00 35.42 C ATOM 533 O PHE A 428 8.950 13.686 -8.049 1.00 73.14 O ATOM 534 CB PHE A 428 8.382 11.884 -10.169 1.00 10.00 C ATOM 535 CG PHE A 428 7.882 10.624 -10.883 1.00 50.43 C ATOM 536 CD1 PHE A 428 7.067 9.695 -10.234 1.00 33.25 C ATOM 537 CD2 PHE A 428 8.157 10.421 -12.231 1.00 43.34 C ATOM 538 CE1 PHE A 428 6.551 8.590 -10.911 1.00 63.03 C ATOM 539 CE2 PHE A 428 7.648 9.313 -12.904 1.00 41.13 C ATOM 540 CZ PHE A 428 6.845 8.408 -12.244 1.00 23.50 C ATOM 0 H PHE A 428 9.792 9.849 -8.709 1.00 72.43 H new ATOM 0 HA PHE A 428 10.502 12.344 -10.062 1.00 14.13 H new ATOM 0 HB2 PHE A 428 7.625 12.168 -9.438 1.00 10.00 H new ATOM 0 HB3 PHE A 428 8.427 12.683 -10.909 1.00 10.00 H new ATOM 0 HD1 PHE A 428 6.832 9.834 -9.189 1.00 33.25 H new ATOM 0 HD2 PHE A 428 8.773 11.131 -12.763 1.00 43.34 H new ATOM 0 HE1 PHE A 428 5.924 7.880 -10.392 1.00 63.03 H new ATOM 0 HE2 PHE A 428 7.883 9.162 -13.947 1.00 41.13 H new ATOM 0 HZ PHE A 428 6.446 7.555 -12.773 1.00 23.50 H new ATOM 550 N GLY A 429 10.442 12.335 -7.014 1.00 33.34 N ATOM 551 CA GLY A 429 10.674 13.266 -5.894 1.00 20.20 C ATOM 552 C GLY A 429 10.313 12.722 -4.493 1.00 44.43 C ATOM 553 O GLY A 429 10.192 11.506 -4.328 1.00 62.30 O ATOM 0 H GLY A 429 10.890 11.425 -6.908 1.00 33.34 H new ATOM 0 HA2 GLY A 429 11.726 13.552 -5.894 1.00 20.20 H new ATOM 0 HA3 GLY A 429 10.097 14.173 -6.073 1.00 20.20 H new ATOM 557 N ASN A 430 10.160 13.621 -3.470 1.00 63.25 N ATOM 558 CA ASN A 430 10.212 13.204 -2.040 1.00 5.22 C ATOM 559 C ASN A 430 8.852 12.617 -1.517 1.00 61.34 C ATOM 560 O ASN A 430 7.804 13.272 -1.587 1.00 20.45 O ATOM 561 CB ASN A 430 10.744 14.341 -1.105 1.00 40.42 C ATOM 562 CG ASN A 430 9.873 15.590 -0.974 1.00 11.33 C ATOM 563 OD1 ASN A 430 9.249 16.051 -1.931 1.00 43.52 O ATOM 564 ND2 ASN A 430 9.821 16.139 0.245 1.00 31.43 N ATOM 0 H ASN A 430 10.003 14.619 -3.610 1.00 63.25 H new ATOM 0 HA ASN A 430 10.935 12.389 -2.002 1.00 5.22 H new ATOM 0 HB2 ASN A 430 10.889 13.922 -0.109 1.00 40.42 H new ATOM 0 HB3 ASN A 430 11.725 14.648 -1.468 1.00 40.42 H new ATOM 0 HD21 ASN A 430 9.250 16.969 0.407 1.00 31.43 H new ATOM 0 HD22 ASN A 430 10.352 15.728 1.013 1.00 31.43 H new ATOM 571 N VAL A 431 8.887 11.357 -1.027 1.00 11.42 N ATOM 572 CA VAL A 431 7.665 10.585 -0.691 1.00 0.54 C ATOM 573 C VAL A 431 7.504 10.320 0.876 1.00 32.03 C ATOM 574 O VAL A 431 8.490 9.958 1.525 1.00 52.45 O ATOM 575 CB VAL A 431 7.670 9.296 -1.598 1.00 43.33 C ATOM 576 CG1 VAL A 431 9.002 8.580 -1.591 1.00 30.14 C ATOM 577 CG2 VAL A 431 6.564 8.295 -1.305 1.00 3.11 C ATOM 0 H VAL A 431 9.754 10.849 -0.854 1.00 11.42 H new ATOM 0 HA VAL A 431 6.766 11.159 -0.913 1.00 0.54 H new ATOM 0 HB VAL A 431 7.477 9.700 -2.592 1.00 43.33 H new ATOM 0 HG11 VAL A 431 8.946 7.701 -2.233 1.00 30.14 H new ATOM 0 HG12 VAL A 431 9.777 9.251 -1.961 1.00 30.14 H new ATOM 0 HG13 VAL A 431 9.244 8.272 -0.574 1.00 30.14 H new ATOM 0 HG21 VAL A 431 6.654 7.445 -1.981 1.00 3.11 H new ATOM 0 HG22 VAL A 431 6.649 7.950 -0.275 1.00 3.11 H new ATOM 0 HG23 VAL A 431 5.594 8.772 -1.449 1.00 3.11 H new ATOM 587 N ILE A 432 6.273 10.519 1.484 1.00 32.30 N ATOM 588 CA ILE A 432 6.090 10.496 2.991 1.00 43.22 C ATOM 589 C ILE A 432 5.306 9.234 3.587 1.00 4.30 C ATOM 590 O ILE A 432 5.307 9.032 4.798 1.00 32.05 O ATOM 591 CB ILE A 432 5.349 11.797 3.554 1.00 73.15 C ATOM 592 CG1 ILE A 432 5.396 12.966 2.599 1.00 42.42 C ATOM 593 CG2 ILE A 432 5.944 12.314 4.854 1.00 13.31 C ATOM 594 CD1 ILE A 432 4.534 14.157 3.036 1.00 52.33 C ATOM 0 H ILE A 432 5.412 10.693 0.966 1.00 32.30 H new ATOM 0 HA ILE A 432 7.126 10.446 3.325 1.00 43.22 H new ATOM 0 HB ILE A 432 4.327 11.450 3.703 1.00 73.15 H new ATOM 0 HG12 ILE A 432 6.429 13.296 2.494 1.00 42.42 H new ATOM 0 HG13 ILE A 432 5.067 12.633 1.615 1.00 42.42 H new ATOM 0 HG21 ILE A 432 5.394 13.197 5.180 1.00 13.31 H new ATOM 0 HG22 ILE A 432 5.874 11.541 5.619 1.00 13.31 H new ATOM 0 HG23 ILE A 432 6.990 12.575 4.697 1.00 13.31 H new ATOM 0 HD11 ILE A 432 4.619 14.957 2.301 1.00 52.33 H new ATOM 0 HD12 ILE A 432 3.493 13.844 3.113 1.00 52.33 H new ATOM 0 HD13 ILE A 432 4.877 14.518 4.006 1.00 52.33 H new ATOM 606 N SER A 433 4.606 8.428 2.765 1.00 41.53 N ATOM 607 CA SER A 433 3.674 7.343 3.247 1.00 34.22 C ATOM 608 C SER A 433 3.822 6.026 2.409 1.00 54.22 C ATOM 609 O SER A 433 3.716 6.063 1.180 1.00 61.33 O ATOM 610 CB SER A 433 2.195 7.930 3.192 1.00 65.31 C ATOM 611 OG SER A 433 2.103 9.161 3.893 1.00 54.12 O ATOM 0 H SER A 433 4.657 8.495 1.749 1.00 41.53 H new ATOM 0 HA SER A 433 3.924 7.058 4.269 1.00 34.22 H new ATOM 0 HB2 SER A 433 1.898 8.077 2.154 1.00 65.31 H new ATOM 0 HB3 SER A 433 1.499 7.210 3.623 1.00 65.31 H new ATOM 0 HG SER A 433 1.185 9.499 3.841 1.00 54.12 H new ATOM 617 N ALA A 434 4.080 4.863 3.109 1.00 35.22 N ATOM 618 CA ALA A 434 4.033 3.476 2.486 1.00 65.41 C ATOM 619 C ALA A 434 3.442 2.376 3.480 1.00 61.54 C ATOM 620 O ALA A 434 4.026 2.180 4.551 1.00 73.31 O ATOM 621 CB ALA A 434 5.422 3.009 1.956 1.00 24.24 C ATOM 0 H ALA A 434 4.322 4.855 4.100 1.00 35.22 H new ATOM 0 HA ALA A 434 3.356 3.571 1.637 1.00 65.41 H new ATOM 0 HB1 ALA A 434 5.330 2.013 1.522 1.00 24.24 H new ATOM 0 HB2 ALA A 434 5.774 3.705 1.195 1.00 24.24 H new ATOM 0 HB3 ALA A 434 6.135 2.981 2.780 1.00 24.24 H new ATOM 627 N LYS A 435 2.258 1.697 3.164 1.00 42.12 N ATOM 628 CA LYS A 435 1.760 0.502 3.926 1.00 55.25 C ATOM 629 C LYS A 435 0.790 -0.359 3.010 1.00 45.01 C ATOM 630 O LYS A 435 -0.023 0.237 2.288 1.00 41.52 O ATOM 631 CB LYS A 435 1.122 0.882 5.329 1.00 65.01 C ATOM 632 CG LYS A 435 -0.199 1.652 5.399 1.00 74.34 C ATOM 633 CD LYS A 435 -1.417 0.732 5.382 1.00 45.14 C ATOM 634 CE LYS A 435 -2.750 1.484 5.463 1.00 75.23 C ATOM 635 NZ LYS A 435 -2.788 2.478 6.575 1.00 32.23 N ATOM 0 H LYS A 435 1.651 1.969 2.391 1.00 42.12 H new ATOM 0 HA LYS A 435 2.619 -0.119 4.179 1.00 55.25 H new ATOM 0 HB2 LYS A 435 0.982 -0.047 5.881 1.00 65.01 H new ATOM 0 HB3 LYS A 435 1.864 1.467 5.872 1.00 65.01 H new ATOM 0 HG2 LYS A 435 -0.216 2.255 6.307 1.00 74.34 H new ATOM 0 HG3 LYS A 435 -0.258 2.342 4.557 1.00 74.34 H new ATOM 0 HD2 LYS A 435 -1.400 0.136 4.470 1.00 45.14 H new ATOM 0 HD3 LYS A 435 -1.349 0.037 6.219 1.00 45.14 H new ATOM 0 HE2 LYS A 435 -2.931 1.996 4.518 1.00 75.23 H new ATOM 0 HE3 LYS A 435 -3.559 0.766 5.596 1.00 75.23 H new ATOM 0 HZ1 LYS A 435 -3.755 2.845 6.679 1.00 32.23 H new ATOM 0 HZ2 LYS A 435 -2.494 2.019 7.461 1.00 32.23 H new ATOM 0 HZ3 LYS A 435 -2.141 3.263 6.361 1.00 32.23 H new ATOM 649 N VAL A 436 0.880 -1.735 2.992 1.00 31.32 N ATOM 650 CA VAL A 436 -0.179 -2.579 2.331 1.00 51.32 C ATOM 651 C VAL A 436 -1.039 -3.258 3.455 1.00 1.23 C ATOM 652 O VAL A 436 -0.724 -4.337 3.969 1.00 12.25 O ATOM 653 CB VAL A 436 0.464 -3.645 1.269 1.00 41.22 C ATOM 654 CG1 VAL A 436 -0.422 -4.842 0.872 1.00 35.02 C ATOM 655 CG2 VAL A 436 0.913 -3.047 -0.083 1.00 25.24 C ATOM 0 H VAL A 436 1.645 -2.264 3.411 1.00 31.32 H new ATOM 0 HA VAL A 436 -0.834 -1.952 1.726 1.00 51.32 H new ATOM 0 HB VAL A 436 1.310 -3.972 1.873 1.00 41.22 H new ATOM 0 HG11 VAL A 436 0.116 -5.474 0.165 1.00 35.02 H new ATOM 0 HG12 VAL A 436 -0.670 -5.422 1.761 1.00 35.02 H new ATOM 0 HG13 VAL A 436 -1.339 -4.478 0.409 1.00 35.02 H new ATOM 0 HG21 VAL A 436 1.324 -3.837 -0.712 1.00 25.24 H new ATOM 0 HG22 VAL A 436 0.057 -2.594 -0.583 1.00 25.24 H new ATOM 0 HG23 VAL A 436 1.676 -2.288 0.090 1.00 25.24 H new ATOM 665 N PHE A 437 -2.024 -2.458 3.940 1.00 44.54 N ATOM 666 CA PHE A 437 -3.289 -2.874 4.609 1.00 14.43 C ATOM 667 C PHE A 437 -4.552 -2.380 3.861 1.00 51.33 C ATOM 668 O PHE A 437 -4.504 -1.385 3.135 1.00 33.33 O ATOM 669 CB PHE A 437 -3.411 -2.414 6.081 1.00 5.33 C ATOM 670 CG PHE A 437 -2.638 -3.231 7.099 1.00 61.51 C ATOM 671 CD1 PHE A 437 -3.103 -4.470 7.555 1.00 44.31 C ATOM 672 CD2 PHE A 437 -1.448 -2.745 7.617 1.00 21.25 C ATOM 673 CE1 PHE A 437 -2.379 -5.192 8.502 1.00 13.10 C ATOM 674 CE2 PHE A 437 -0.729 -3.462 8.555 1.00 75.41 C ATOM 675 CZ PHE A 437 -1.195 -4.681 8.997 1.00 61.40 C ATOM 0 H PHE A 437 -1.954 -1.443 3.871 1.00 44.54 H new ATOM 0 HA PHE A 437 -3.234 -3.962 4.585 1.00 14.43 H new ATOM 0 HB2 PHE A 437 -3.077 -1.379 6.146 1.00 5.33 H new ATOM 0 HB3 PHE A 437 -4.465 -2.427 6.359 1.00 5.33 H new ATOM 0 HD1 PHE A 437 -4.030 -4.869 7.170 1.00 44.31 H new ATOM 0 HD2 PHE A 437 -1.075 -1.788 7.282 1.00 21.25 H new ATOM 0 HE1 PHE A 437 -2.743 -6.148 8.848 1.00 13.10 H new ATOM 0 HE2 PHE A 437 0.199 -3.066 8.942 1.00 75.41 H new ATOM 0 HZ PHE A 437 -0.633 -5.238 9.732 1.00 61.40 H new ATOM 866 N GLY A 449 -3.710 -0.078 -2.082 1.00 60.43 N ATOM 867 CA GLY A 449 -2.699 0.525 -1.162 1.00 73.33 C ATOM 868 C GLY A 449 -2.494 2.039 -1.213 1.00 34.44 C ATOM 869 O GLY A 449 -3.067 2.729 -2.061 1.00 42.01 O ATOM 0 HA2 GLY A 449 -2.976 0.260 -0.142 1.00 73.33 H new ATOM 0 HA3 GLY A 449 -1.739 0.051 -1.365 1.00 73.33 H new ATOM 873 N PHE A 450 -1.647 2.550 -0.263 1.00 34.33 N ATOM 874 CA PHE A 450 -1.500 4.023 -0.020 1.00 62.51 C ATOM 875 C PHE A 450 -0.073 4.564 -0.458 1.00 21.42 C ATOM 876 O PHE A 450 0.911 4.145 0.161 1.00 44.35 O ATOM 877 CB PHE A 450 -1.708 4.225 1.537 1.00 32.21 C ATOM 878 CG PHE A 450 -3.090 4.049 2.081 1.00 34.05 C ATOM 879 CD1 PHE A 450 -3.642 2.803 2.150 1.00 44.21 C ATOM 880 CD2 PHE A 450 -3.806 5.112 2.590 1.00 22.22 C ATOM 881 CE1 PHE A 450 -4.864 2.596 2.701 1.00 54.14 C ATOM 882 CE2 PHE A 450 -5.056 4.921 3.137 1.00 25.43 C ATOM 883 CZ PHE A 450 -5.587 3.656 3.188 1.00 50.22 C ATOM 0 H PHE A 450 -1.063 1.970 0.340 1.00 34.33 H new ATOM 0 HA PHE A 450 -2.226 4.580 -0.612 1.00 62.51 H new ATOM 0 HB2 PHE A 450 -1.051 3.527 2.057 1.00 32.21 H new ATOM 0 HB3 PHE A 450 -1.372 5.230 1.793 1.00 32.21 H new ATOM 0 HD1 PHE A 450 -3.092 1.961 1.756 1.00 44.21 H new ATOM 0 HD2 PHE A 450 -3.382 6.105 2.560 1.00 22.22 H new ATOM 0 HE1 PHE A 450 -5.268 1.596 2.757 1.00 54.14 H new ATOM 0 HE2 PHE A 450 -5.614 5.761 3.523 1.00 25.43 H new ATOM 0 HZ PHE A 450 -6.569 3.496 3.609 1.00 50.22 H new ATOM 893 N VAL A 451 0.073 5.482 -1.513 1.00 41.31 N ATOM 894 CA VAL A 451 1.368 6.206 -1.748 1.00 0.44 C ATOM 895 C VAL A 451 1.119 7.738 -1.940 1.00 23.20 C ATOM 896 O VAL A 451 0.326 8.118 -2.804 1.00 53.24 O ATOM 897 CB VAL A 451 2.212 5.680 -2.964 1.00 14.34 C ATOM 898 CG1 VAL A 451 3.434 5.005 -2.444 1.00 44.52 C ATOM 899 CG2 VAL A 451 1.439 4.812 -3.937 1.00 72.31 C ATOM 0 H VAL A 451 -0.668 5.715 -2.174 1.00 41.31 H new ATOM 0 HA VAL A 451 1.955 6.009 -0.851 1.00 0.44 H new ATOM 0 HB VAL A 451 2.496 6.544 -3.566 1.00 14.34 H new ATOM 0 HG11 VAL A 451 4.029 4.635 -3.279 1.00 44.52 H new ATOM 0 HG12 VAL A 451 4.024 5.716 -1.865 1.00 44.52 H new ATOM 0 HG13 VAL A 451 3.145 4.169 -1.807 1.00 44.52 H new ATOM 0 HG21 VAL A 451 2.099 4.494 -4.744 1.00 72.31 H new ATOM 0 HG22 VAL A 451 1.054 3.935 -3.416 1.00 72.31 H new ATOM 0 HG23 VAL A 451 0.607 5.382 -4.352 1.00 72.31 H new ATOM 909 N SER A 452 1.755 8.632 -1.128 1.00 74.35 N ATOM 910 CA SER A 452 1.466 10.053 -1.177 1.00 35.12 C ATOM 911 C SER A 452 2.797 10.952 -1.338 1.00 22.44 C ATOM 912 O SER A 452 3.835 10.585 -0.770 1.00 15.35 O ATOM 913 CB SER A 452 0.678 10.320 0.119 1.00 22.30 C ATOM 914 OG SER A 452 -0.660 9.883 -0.023 1.00 41.54 O ATOM 0 H SER A 452 2.464 8.372 -0.443 1.00 74.35 H new ATOM 0 HA SER A 452 0.886 10.335 -2.056 1.00 35.12 H new ATOM 0 HB2 SER A 452 1.151 9.802 0.954 1.00 22.30 H new ATOM 0 HB3 SER A 452 0.698 11.385 0.352 1.00 22.30 H new ATOM 0 HG SER A 452 -1.151 10.056 0.807 1.00 41.54 H new ATOM 920 N TYR A 453 2.756 12.121 -2.110 1.00 71.34 N ATOM 921 CA TYR A 453 3.969 13.036 -2.389 1.00 4.25 C ATOM 922 C TYR A 453 3.831 14.450 -1.687 1.00 65.25 C ATOM 923 O TYR A 453 2.804 14.690 -1.046 1.00 4.23 O ATOM 924 CB TYR A 453 4.110 13.344 -3.909 1.00 34.24 C ATOM 925 CG TYR A 453 4.543 12.226 -4.851 1.00 72.22 C ATOM 926 CD1 TYR A 453 5.851 11.697 -4.921 1.00 60.15 C ATOM 927 CD2 TYR A 453 3.606 11.725 -5.728 1.00 11.35 C ATOM 928 CE1 TYR A 453 6.150 10.696 -5.829 1.00 65.44 C ATOM 929 CE2 TYR A 453 3.896 10.740 -6.621 1.00 23.23 C ATOM 930 CZ TYR A 453 5.158 10.220 -6.673 1.00 24.33 C ATOM 931 OH TYR A 453 5.426 9.227 -7.576 1.00 5.14 O ATOM 0 H TYR A 453 1.898 12.454 -2.551 1.00 71.34 H new ATOM 0 HA TYR A 453 4.828 12.489 -2.002 1.00 4.25 H new ATOM 0 HB2 TYR A 453 3.148 13.716 -4.260 1.00 34.24 H new ATOM 0 HB3 TYR A 453 4.825 14.160 -4.015 1.00 34.24 H new ATOM 0 HD1 TYR A 453 6.620 12.075 -4.264 1.00 60.15 H new ATOM 0 HD2 TYR A 453 2.605 12.129 -5.706 1.00 11.35 H new ATOM 0 HE1 TYR A 453 7.149 10.289 -5.880 1.00 65.44 H new ATOM 0 HE2 TYR A 453 3.130 10.370 -7.287 1.00 23.23 H new ATOM 0 HH TYR A 453 6.217 8.726 -7.286 1.00 5.14 H new ATOM 941 N ASP A 454 4.857 15.404 -1.796 1.00 2.12 N ATOM 942 CA ASP A 454 4.754 16.732 -1.118 1.00 73.45 C ATOM 943 C ASP A 454 4.098 17.917 -1.936 1.00 4.11 C ATOM 944 O ASP A 454 3.535 18.801 -1.296 1.00 1.33 O ATOM 945 CB ASP A 454 6.127 17.211 -0.527 1.00 60.12 C ATOM 946 CG ASP A 454 5.979 18.177 0.633 1.00 32.20 C ATOM 947 OD1 ASP A 454 5.664 17.725 1.755 1.00 62.51 O ATOM 948 OD2 ASP A 454 6.221 19.383 0.427 1.00 11.25 O ATOM 0 H ASP A 454 5.716 15.263 -2.327 1.00 2.12 H new ATOM 0 HA ASP A 454 4.044 16.510 -0.321 1.00 73.45 H new ATOM 0 HB2 ASP A 454 6.695 16.341 -0.196 1.00 60.12 H new ATOM 0 HB3 ASP A 454 6.707 17.689 -1.316 1.00 60.12 H new ATOM 953 N ASN A 455 4.068 17.962 -3.303 1.00 23.51 N ATOM 954 CA ASN A 455 3.482 19.173 -3.974 1.00 62.15 C ATOM 955 C ASN A 455 2.689 18.862 -5.283 1.00 25.25 C ATOM 956 O ASN A 455 3.140 18.005 -6.038 1.00 50.34 O ATOM 957 CB ASN A 455 4.497 20.363 -4.140 1.00 74.23 C ATOM 958 CG ASN A 455 5.774 20.140 -4.974 1.00 63.43 C ATOM 959 OD1 ASN A 455 6.188 21.041 -5.711 1.00 40.23 O ATOM 960 ND2 ASN A 455 6.456 19.003 -4.836 1.00 23.23 N ATOM 0 H ASN A 455 4.414 17.233 -3.927 1.00 23.51 H new ATOM 0 HA ASN A 455 2.732 19.526 -3.266 1.00 62.15 H new ATOM 0 HB2 ASN A 455 3.956 21.199 -4.583 1.00 74.23 H new ATOM 0 HB3 ASN A 455 4.805 20.675 -3.142 1.00 74.23 H new ATOM 0 HD21 ASN A 455 7.331 18.869 -5.342 1.00 23.23 H new ATOM 0 HD22 ASN A 455 6.103 18.267 -4.224 1.00 23.23 H new ATOM 967 N PRO A 456 1.428 19.491 -5.529 1.00 41.02 N ATOM 968 CA PRO A 456 0.529 19.157 -6.674 1.00 22.15 C ATOM 969 C PRO A 456 1.148 19.040 -8.138 1.00 23.40 C ATOM 970 O PRO A 456 0.460 18.532 -9.026 1.00 4.10 O ATOM 971 CB PRO A 456 -0.609 20.226 -6.593 1.00 61.20 C ATOM 972 CG PRO A 456 -0.251 21.170 -5.522 1.00 32.33 C ATOM 973 CD PRO A 456 0.639 20.395 -4.623 1.00 72.53 C ATOM 0 HA PRO A 456 0.204 18.124 -6.550 1.00 22.15 H new ATOM 0 HB2 PRO A 456 -0.714 20.747 -7.545 1.00 61.20 H new ATOM 0 HB3 PRO A 456 -1.567 19.751 -6.382 1.00 61.20 H new ATOM 0 HG2 PRO A 456 0.256 22.049 -5.921 1.00 32.33 H new ATOM 0 HG3 PRO A 456 -1.136 21.525 -4.994 1.00 32.33 H new ATOM 0 HD2 PRO A 456 1.296 21.054 -4.056 1.00 72.53 H new ATOM 0 HD3 PRO A 456 0.062 19.820 -3.899 1.00 72.53 H new ATOM 981 N VAL A 457 2.428 19.480 -8.396 1.00 11.21 N ATOM 982 CA VAL A 457 3.103 19.281 -9.739 1.00 62.43 C ATOM 983 C VAL A 457 3.569 17.776 -9.924 1.00 62.03 C ATOM 984 O VAL A 457 3.468 17.238 -11.037 1.00 24.31 O ATOM 985 CB VAL A 457 4.320 20.306 -10.030 1.00 20.31 C ATOM 986 CG1 VAL A 457 5.007 20.080 -11.396 1.00 52.23 C ATOM 987 CG2 VAL A 457 3.898 21.787 -10.033 1.00 3.54 C ATOM 0 H VAL A 457 3.006 19.965 -7.709 1.00 11.21 H new ATOM 0 HA VAL A 457 2.343 19.514 -10.485 1.00 62.43 H new ATOM 0 HB VAL A 457 5.000 20.094 -9.205 1.00 20.31 H new ATOM 0 HG11 VAL A 457 5.813 20.803 -11.522 1.00 52.23 H new ATOM 0 HG12 VAL A 457 5.416 19.070 -11.435 1.00 52.23 H new ATOM 0 HG13 VAL A 457 4.277 20.207 -12.196 1.00 52.23 H new ATOM 0 HG21 VAL A 457 4.767 22.413 -10.235 1.00 3.54 H new ATOM 0 HG22 VAL A 457 3.147 21.950 -10.806 1.00 3.54 H new ATOM 0 HG23 VAL A 457 3.481 22.048 -9.061 1.00 3.54 H new ATOM 997 N SER A 458 4.014 17.067 -8.842 1.00 2.23 N ATOM 998 CA SER A 458 4.487 15.655 -8.968 1.00 15.21 C ATOM 999 C SER A 458 3.344 14.587 -9.172 1.00 54.30 C ATOM 1000 O SER A 458 3.637 13.447 -9.556 1.00 44.31 O ATOM 1001 CB SER A 458 5.452 15.275 -7.813 1.00 2.11 C ATOM 1002 OG SER A 458 5.269 16.096 -6.672 1.00 23.31 O ATOM 0 H SER A 458 4.054 17.441 -7.894 1.00 2.23 H new ATOM 0 HA SER A 458 5.048 15.624 -9.902 1.00 15.21 H new ATOM 0 HB2 SER A 458 5.294 14.232 -7.538 1.00 2.11 H new ATOM 0 HB3 SER A 458 6.482 15.361 -8.159 1.00 2.11 H new ATOM 0 HG SER A 458 5.894 15.823 -5.969 1.00 23.31 H new ATOM 1008 N ALA A 459 2.051 14.947 -8.933 1.00 73.21 N ATOM 1009 CA ALA A 459 0.903 14.009 -9.160 1.00 55.15 C ATOM 1010 C ALA A 459 0.484 13.910 -10.659 1.00 15.14 C ATOM 1011 O ALA A 459 -0.060 12.882 -11.071 1.00 72.53 O ATOM 1012 CB ALA A 459 -0.315 14.285 -8.257 1.00 0.12 C ATOM 0 H ALA A 459 1.776 15.866 -8.588 1.00 73.21 H new ATOM 0 HA ALA A 459 1.289 13.033 -8.865 1.00 55.15 H new ATOM 0 HB1 ALA A 459 -1.104 13.566 -8.480 1.00 0.12 H new ATOM 0 HB2 ALA A 459 -0.022 14.189 -7.212 1.00 0.12 H new ATOM 0 HB3 ALA A 459 -0.682 15.295 -8.440 1.00 0.12 H new ATOM 1018 N GLN A 460 0.770 14.957 -11.476 1.00 31.13 N ATOM 1019 CA GLN A 460 0.412 14.977 -12.930 1.00 23.40 C ATOM 1020 C GLN A 460 1.347 14.052 -13.765 1.00 71.40 C ATOM 1021 O GLN A 460 0.868 13.379 -14.684 1.00 61.03 O ATOM 1022 CB GLN A 460 0.401 16.436 -13.504 1.00 61.40 C ATOM 1023 CG GLN A 460 -0.507 17.455 -12.746 1.00 74.52 C ATOM 1024 CD GLN A 460 0.163 18.778 -12.536 1.00 61.20 C ATOM 1025 OE1 GLN A 460 1.387 18.876 -12.484 1.00 14.44 O ATOM 1026 NE2 GLN A 460 -0.637 19.802 -12.352 1.00 60.03 N ATOM 0 H GLN A 460 1.247 15.801 -11.158 1.00 31.13 H new ATOM 0 HA GLN A 460 -0.601 14.583 -13.014 1.00 23.40 H new ATOM 0 HB2 GLN A 460 1.423 16.816 -13.501 1.00 61.40 H new ATOM 0 HB3 GLN A 460 0.079 16.395 -14.545 1.00 61.40 H new ATOM 0 HG2 GLN A 460 -1.428 17.604 -13.309 1.00 74.52 H new ATOM 0 HG3 GLN A 460 -0.788 17.037 -11.779 1.00 74.52 H new ATOM 0 HE21 GLN A 460 -1.648 19.675 -12.404 1.00 60.03 H new ATOM 0 HE22 GLN A 460 -0.248 20.725 -12.157 1.00 60.03 H new ATOM 1035 N ALA A 461 2.666 13.997 -13.443 1.00 4.34 N ATOM 1036 CA ALA A 461 3.602 13.087 -14.154 1.00 71.24 C ATOM 1037 C ALA A 461 3.375 11.579 -13.839 1.00 62.04 C ATOM 1038 O ALA A 461 3.531 10.751 -14.748 1.00 55.41 O ATOM 1039 CB ALA A 461 5.090 13.491 -13.956 1.00 1.03 C ATOM 0 H ALA A 461 3.099 14.560 -12.711 1.00 4.34 H new ATOM 0 HA ALA A 461 3.364 13.213 -15.210 1.00 71.24 H new ATOM 0 HB1 ALA A 461 5.731 12.794 -14.496 1.00 1.03 H new ATOM 0 HB2 ALA A 461 5.247 14.499 -14.339 1.00 1.03 H new ATOM 0 HB3 ALA A 461 5.336 13.463 -12.895 1.00 1.03 H new ATOM 1045 N ALA A 462 3.012 11.210 -12.581 1.00 22.52 N ATOM 1046 CA ALA A 462 2.741 9.796 -12.258 1.00 34.42 C ATOM 1047 C ALA A 462 1.412 9.232 -12.828 1.00 51.03 C ATOM 1048 O ALA A 462 1.396 8.063 -13.166 1.00 14.22 O ATOM 1049 CB ALA A 462 2.889 9.506 -10.753 1.00 42.33 C ATOM 0 H ALA A 462 2.904 11.856 -11.799 1.00 22.52 H new ATOM 0 HA ALA A 462 3.520 9.247 -12.787 1.00 34.42 H new ATOM 0 HB1 ALA A 462 2.680 8.453 -10.563 1.00 42.33 H new ATOM 0 HB2 ALA A 462 3.906 9.737 -10.436 1.00 42.33 H new ATOM 0 HB3 ALA A 462 2.186 10.122 -10.193 1.00 42.33 H new ATOM 1055 N ILE A 463 0.320 10.033 -12.961 1.00 73.11 N ATOM 1056 CA ILE A 463 -0.940 9.543 -13.554 1.00 62.41 C ATOM 1057 C ILE A 463 -0.705 9.069 -15.032 1.00 14.13 C ATOM 1058 O ILE A 463 -1.223 8.029 -15.377 1.00 72.31 O ATOM 1059 CB ILE A 463 -2.132 10.605 -13.355 1.00 42.23 C ATOM 1060 CG1 ILE A 463 -2.561 10.656 -11.812 1.00 10.44 C ATOM 1061 CG2 ILE A 463 -3.365 10.346 -14.267 1.00 75.02 C ATOM 1062 CD1 ILE A 463 -3.576 11.728 -11.357 1.00 52.20 C ATOM 0 H ILE A 463 0.293 11.009 -12.667 1.00 73.11 H new ATOM 0 HA ILE A 463 -1.277 8.655 -13.019 1.00 62.41 H new ATOM 0 HB ILE A 463 -1.742 11.575 -13.664 1.00 42.23 H new ATOM 0 HG12 ILE A 463 -2.972 9.681 -11.551 1.00 10.44 H new ATOM 0 HG13 ILE A 463 -1.654 10.788 -11.222 1.00 10.44 H new ATOM 0 HG21 ILE A 463 -4.125 11.103 -14.075 1.00 75.02 H new ATOM 0 HG22 ILE A 463 -3.061 10.395 -15.313 1.00 75.02 H new ATOM 0 HG23 ILE A 463 -3.774 9.358 -14.054 1.00 75.02 H new ATOM 0 HD11 ILE A 463 -3.758 11.626 -10.287 1.00 52.20 H new ATOM 0 HD12 ILE A 463 -3.175 12.720 -11.564 1.00 52.20 H new ATOM 0 HD13 ILE A 463 -4.513 11.595 -11.899 1.00 52.20 H new ATOM 1074 N GLN A 464 0.160 9.750 -15.861 1.00 23.24 N ATOM 1075 CA GLN A 464 0.506 9.231 -17.241 1.00 15.52 C ATOM 1076 C GLN A 464 1.332 7.893 -17.261 1.00 74.23 C ATOM 1077 O GLN A 464 0.916 6.954 -17.931 1.00 21.31 O ATOM 1078 CB GLN A 464 1.185 10.332 -18.145 1.00 42.11 C ATOM 1079 CG GLN A 464 0.317 10.900 -19.297 1.00 52.34 C ATOM 1080 CD GLN A 464 -1.216 10.862 -19.079 1.00 11.23 C ATOM 1081 OE1 GLN A 464 -1.859 9.868 -19.421 1.00 14.44 O ATOM 1082 NE2 GLN A 464 -1.815 11.940 -18.549 1.00 22.11 N ATOM 0 H GLN A 464 0.617 10.628 -15.613 1.00 23.24 H new ATOM 0 HA GLN A 464 -0.462 8.979 -17.675 1.00 15.52 H new ATOM 0 HB2 GLN A 464 1.491 11.160 -17.506 1.00 42.11 H new ATOM 0 HB3 GLN A 464 2.093 9.910 -18.576 1.00 42.11 H new ATOM 0 HG2 GLN A 464 0.613 11.934 -19.471 1.00 52.34 H new ATOM 0 HG3 GLN A 464 0.548 10.345 -20.206 1.00 52.34 H new ATOM 0 HE21 GLN A 464 -1.258 12.749 -18.275 1.00 22.11 H new ATOM 0 HE22 GLN A 464 -2.827 11.950 -18.421 1.00 22.11 H new ATOM 1091 N ALA A 465 2.483 7.793 -16.559 1.00 62.20 N ATOM 1092 CA ALA A 465 3.319 6.524 -16.596 1.00 70.50 C ATOM 1093 C ALA A 465 2.764 5.330 -15.705 1.00 61.34 C ATOM 1094 O ALA A 465 3.313 4.230 -15.730 1.00 33.11 O ATOM 1095 CB ALA A 465 4.819 6.820 -16.305 1.00 62.04 C ATOM 0 H ALA A 465 2.863 8.536 -15.972 1.00 62.20 H new ATOM 0 HA ALA A 465 3.233 6.160 -17.620 1.00 70.50 H new ATOM 0 HB1 ALA A 465 5.387 5.890 -16.340 1.00 62.04 H new ATOM 0 HB2 ALA A 465 5.206 7.510 -17.055 1.00 62.04 H new ATOM 0 HB3 ALA A 465 4.916 7.268 -15.316 1.00 62.04 H new ATOM 1101 N MET A 466 1.659 5.571 -14.965 1.00 52.14 N ATOM 1102 CA MET A 466 0.997 4.603 -14.028 1.00 72.02 C ATOM 1103 C MET A 466 -0.469 4.287 -14.426 1.00 31.23 C ATOM 1104 O MET A 466 -1.033 3.334 -13.879 1.00 25.55 O ATOM 1105 CB MET A 466 1.049 5.062 -12.530 1.00 74.12 C ATOM 1106 CG MET A 466 2.353 4.762 -11.747 1.00 53.21 C ATOM 1107 SD MET A 466 3.870 5.439 -12.453 1.00 45.32 S ATOM 1108 CE MET A 466 5.097 4.565 -11.475 1.00 32.44 C ATOM 0 H MET A 466 1.179 6.470 -14.996 1.00 52.14 H new ATOM 0 HA MET A 466 1.583 3.689 -14.121 1.00 72.02 H new ATOM 0 HB2 MET A 466 0.875 6.138 -12.499 1.00 74.12 H new ATOM 0 HB3 MET A 466 0.221 4.590 -12.002 1.00 74.12 H new ATOM 0 HG2 MET A 466 2.243 5.149 -10.734 1.00 53.21 H new ATOM 0 HG3 MET A 466 2.464 3.681 -11.665 1.00 53.21 H new ATOM 0 HE1 MET A 466 6.096 4.870 -11.787 1.00 32.44 H new ATOM 0 HE2 MET A 466 4.958 4.802 -10.420 1.00 32.44 H new ATOM 0 HE3 MET A 466 4.983 3.491 -11.623 1.00 32.44 H new ATOM 1118 N ASN A 467 -1.130 5.047 -15.343 1.00 74.13 N ATOM 1119 CA ASN A 467 -2.336 4.503 -15.959 1.00 0.22 C ATOM 1120 C ASN A 467 -1.861 3.500 -17.087 1.00 30.43 C ATOM 1121 O ASN A 467 -0.997 3.877 -17.889 1.00 1.40 O ATOM 1122 CB ASN A 467 -3.389 5.568 -16.464 1.00 20.20 C ATOM 1123 CG ASN A 467 -2.975 6.692 -17.438 1.00 21.33 C ATOM 1124 OD1 ASN A 467 -3.518 7.792 -17.344 1.00 24.52 O ATOM 1125 ND2 ASN A 467 -2.086 6.470 -18.391 1.00 22.52 N ATOM 0 H ASN A 467 -0.857 5.981 -15.647 1.00 74.13 H new ATOM 0 HA ASN A 467 -2.914 3.985 -15.193 1.00 0.22 H new ATOM 0 HB2 ASN A 467 -4.200 5.016 -16.939 1.00 20.20 H new ATOM 0 HB3 ASN A 467 -3.807 6.049 -15.580 1.00 20.20 H new ATOM 0 HD21 ASN A 467 -1.849 7.211 -19.050 1.00 22.52 H new ATOM 0 HD22 ASN A 467 -1.637 5.557 -18.467 1.00 22.52 H new ATOM 1132 N GLY A 468 -2.339 2.225 -17.157 1.00 62.14 N ATOM 1133 CA GLY A 468 -1.819 1.324 -18.205 1.00 2.34 C ATOM 1134 C GLY A 468 -0.664 0.357 -17.864 1.00 2.35 C ATOM 1135 O GLY A 468 -0.124 -0.212 -18.815 1.00 40.44 O ATOM 0 H GLY A 468 -3.042 1.823 -16.536 1.00 62.14 H new ATOM 0 HA2 GLY A 468 -2.654 0.723 -18.565 1.00 2.34 H new ATOM 0 HA3 GLY A 468 -1.491 1.945 -19.038 1.00 2.34 H new ATOM 1139 N PHE A 469 -0.244 0.118 -16.590 1.00 42.04 N ATOM 1140 CA PHE A 469 0.965 -0.719 -16.401 1.00 24.33 C ATOM 1141 C PHE A 469 0.573 -2.242 -16.411 1.00 14.25 C ATOM 1142 O PHE A 469 -0.081 -2.702 -15.473 1.00 23.45 O ATOM 1143 CB PHE A 469 1.770 -0.355 -15.082 1.00 71.23 C ATOM 1144 CG PHE A 469 3.314 -0.307 -15.231 1.00 60.54 C ATOM 1145 CD1 PHE A 469 4.044 -1.443 -15.587 1.00 34.13 C ATOM 1146 CD2 PHE A 469 4.042 0.871 -14.999 1.00 22.21 C ATOM 1147 CE1 PHE A 469 5.433 -1.402 -15.703 1.00 71.21 C ATOM 1148 CE2 PHE A 469 5.428 0.898 -15.114 1.00 55.14 C ATOM 1149 CZ PHE A 469 6.115 -0.235 -15.468 1.00 53.41 C ATOM 0 H PHE A 469 -0.688 0.465 -15.740 1.00 42.04 H new ATOM 0 HA PHE A 469 1.633 -0.510 -17.236 1.00 24.33 H new ATOM 0 HB2 PHE A 469 1.427 0.616 -14.725 1.00 71.23 H new ATOM 0 HB3 PHE A 469 1.520 -1.085 -14.312 1.00 71.23 H new ATOM 0 HD1 PHE A 469 3.523 -2.370 -15.776 1.00 34.13 H new ATOM 0 HD2 PHE A 469 3.516 1.774 -14.726 1.00 22.21 H new ATOM 0 HE1 PHE A 469 5.975 -2.294 -15.979 1.00 71.21 H new ATOM 0 HE2 PHE A 469 5.965 1.815 -14.924 1.00 55.14 H new ATOM 0 HZ PHE A 469 7.191 -0.209 -15.562 1.00 53.41 H new ATOM 1159 N GLN A 470 0.963 -3.023 -17.469 1.00 70.22 N ATOM 1160 CA GLN A 470 0.588 -4.460 -17.573 1.00 42.52 C ATOM 1161 C GLN A 470 1.821 -5.383 -17.195 1.00 13.22 C ATOM 1162 O GLN A 470 2.898 -5.209 -17.767 1.00 41.52 O ATOM 1163 CB GLN A 470 0.113 -4.693 -19.057 1.00 62.14 C ATOM 1164 CG GLN A 470 -0.587 -6.023 -19.445 1.00 24.45 C ATOM 1165 CD GLN A 470 -1.870 -6.339 -18.702 1.00 23.43 C ATOM 1166 OE1 GLN A 470 -2.949 -5.976 -19.159 1.00 54.24 O ATOM 1167 NE2 GLN A 470 -1.792 -7.062 -17.603 1.00 11.11 N ATOM 0 H GLN A 470 1.528 -2.681 -18.247 1.00 70.22 H new ATOM 0 HA GLN A 470 -0.211 -4.718 -16.878 1.00 42.52 H new ATOM 0 HB2 GLN A 470 -0.569 -3.881 -19.311 1.00 62.14 H new ATOM 0 HB3 GLN A 470 0.988 -4.587 -19.698 1.00 62.14 H new ATOM 0 HG2 GLN A 470 -0.805 -5.998 -20.513 1.00 24.45 H new ATOM 0 HG3 GLN A 470 0.115 -6.841 -19.282 1.00 24.45 H new ATOM 0 HE21 GLN A 470 -0.881 -7.350 -17.246 1.00 11.11 H new ATOM 0 HE22 GLN A 470 -2.643 -7.334 -17.110 1.00 11.11 H new ATOM 1176 N ILE A 471 1.658 -6.359 -16.233 1.00 32.50 N ATOM 1177 CA ILE A 471 2.793 -7.233 -15.703 1.00 61.04 C ATOM 1178 C ILE A 471 2.208 -8.661 -15.370 1.00 64.33 C ATOM 1179 O ILE A 471 1.611 -8.799 -14.294 1.00 61.11 O ATOM 1180 CB ILE A 471 3.474 -6.680 -14.343 1.00 73.41 C ATOM 1181 CG1 ILE A 471 3.461 -5.129 -14.314 1.00 12.32 C ATOM 1182 CG2 ILE A 471 4.926 -7.172 -14.151 1.00 51.42 C ATOM 1183 CD1 ILE A 471 4.077 -4.428 -13.093 1.00 13.13 C ATOM 0 H ILE A 471 0.756 -6.566 -15.805 1.00 32.50 H new ATOM 0 HA ILE A 471 3.557 -7.243 -16.480 1.00 61.04 H new ATOM 0 HB ILE A 471 2.875 -7.079 -13.524 1.00 73.41 H new ATOM 0 HG12 ILE A 471 3.983 -4.773 -15.202 1.00 12.32 H new ATOM 0 HG13 ILE A 471 2.425 -4.801 -14.400 1.00 12.32 H new ATOM 0 HG21 ILE A 471 5.327 -6.767 -13.222 1.00 51.42 H new ATOM 0 HG22 ILE A 471 4.938 -8.261 -14.108 1.00 51.42 H new ATOM 0 HG23 ILE A 471 5.538 -6.835 -14.988 1.00 51.42 H new ATOM 0 HD11 ILE A 471 3.995 -3.348 -13.214 1.00 13.13 H new ATOM 0 HD12 ILE A 471 3.546 -4.733 -12.192 1.00 13.13 H new ATOM 0 HD13 ILE A 471 5.128 -4.705 -13.006 1.00 13.13 H new ATOM 1195 N GLY A 472 2.313 -9.712 -16.267 1.00 31.42 N ATOM 1196 CA GLY A 472 1.764 -11.052 -15.944 1.00 54.31 C ATOM 1197 C GLY A 472 0.196 -11.056 -15.960 1.00 75.43 C ATOM 1198 O GLY A 472 -0.383 -10.611 -16.954 1.00 11.22 O ATOM 0 H GLY A 472 2.759 -9.644 -17.182 1.00 31.42 H new ATOM 0 HA2 GLY A 472 2.137 -11.781 -16.663 1.00 54.31 H new ATOM 0 HA3 GLY A 472 2.119 -11.363 -14.961 1.00 54.31 H new ATOM 1202 N MET A 473 -0.499 -11.526 -14.889 1.00 0.23 N ATOM 1203 CA MET A 473 -2.020 -11.625 -14.889 1.00 12.23 C ATOM 1204 C MET A 473 -2.762 -10.501 -14.076 1.00 44.24 C ATOM 1205 O MET A 473 -3.890 -10.698 -13.629 1.00 13.31 O ATOM 1206 CB MET A 473 -2.478 -13.097 -14.522 1.00 21.31 C ATOM 1207 CG MET A 473 -2.235 -13.660 -13.097 1.00 61.43 C ATOM 1208 SD MET A 473 -3.561 -13.298 -11.926 1.00 52.52 S ATOM 1209 CE MET A 473 -2.902 -14.032 -10.428 1.00 41.25 C ATOM 0 H MET A 473 -0.060 -11.841 -14.024 1.00 0.23 H new ATOM 0 HA MET A 473 -2.344 -11.421 -15.910 1.00 12.23 H new ATOM 0 HB2 MET A 473 -3.549 -13.159 -14.715 1.00 21.31 H new ATOM 0 HB3 MET A 473 -1.988 -13.772 -15.224 1.00 21.31 H new ATOM 0 HG2 MET A 473 -2.107 -14.740 -13.162 1.00 61.43 H new ATOM 0 HG3 MET A 473 -1.302 -13.251 -12.710 1.00 61.43 H new ATOM 0 HE1 MET A 473 -3.610 -13.890 -9.611 1.00 41.25 H new ATOM 0 HE2 MET A 473 -2.740 -15.098 -10.586 1.00 41.25 H new ATOM 0 HE3 MET A 473 -1.955 -13.555 -10.175 1.00 41.25 H new ATOM 1219 N LYS A 474 -2.171 -9.279 -13.992 1.00 32.02 N ATOM 1220 CA LYS A 474 -2.792 -8.132 -13.309 1.00 20.40 C ATOM 1221 C LYS A 474 -2.481 -6.825 -14.097 1.00 35.51 C ATOM 1222 O LYS A 474 -1.327 -6.639 -14.508 1.00 43.10 O ATOM 1223 CB LYS A 474 -2.303 -7.912 -11.849 1.00 42.12 C ATOM 1224 CG LYS A 474 -2.935 -8.797 -10.722 1.00 14.55 C ATOM 1225 CD LYS A 474 -4.282 -8.248 -10.245 1.00 3.41 C ATOM 1226 CE LYS A 474 -4.906 -9.041 -9.077 1.00 73.12 C ATOM 1227 NZ LYS A 474 -3.966 -9.185 -7.930 1.00 34.13 N ATOM 0 H LYS A 474 -1.258 -9.071 -14.395 1.00 32.02 H new ATOM 0 HA LYS A 474 -3.857 -8.361 -13.274 1.00 20.40 H new ATOM 0 HB2 LYS A 474 -1.224 -8.068 -11.831 1.00 42.12 H new ATOM 0 HB3 LYS A 474 -2.479 -6.867 -11.592 1.00 42.12 H new ATOM 0 HG2 LYS A 474 -3.069 -9.813 -11.092 1.00 14.55 H new ATOM 0 HG3 LYS A 474 -2.248 -8.853 -9.878 1.00 14.55 H new ATOM 0 HD2 LYS A 474 -4.151 -7.211 -9.937 1.00 3.41 H new ATOM 0 HD3 LYS A 474 -4.979 -8.246 -11.083 1.00 3.41 H new ATOM 0 HE2 LYS A 474 -5.812 -8.537 -8.741 1.00 73.12 H new ATOM 0 HE3 LYS A 474 -5.202 -10.029 -9.428 1.00 73.12 H new ATOM 0 HZ1 LYS A 474 -4.507 -9.341 -7.055 1.00 34.13 H new ATOM 0 HZ2 LYS A 474 -3.337 -9.996 -8.097 1.00 34.13 H new ATOM 0 HZ3 LYS A 474 -3.398 -8.319 -7.836 1.00 34.13 H new ATOM 1241 N ARG A 475 -3.472 -5.943 -14.334 1.00 71.34 N ATOM 1242 CA ARG A 475 -3.183 -4.547 -14.746 1.00 34.45 C ATOM 1243 C ARG A 475 -3.259 -3.518 -13.516 1.00 14.42 C ATOM 1244 O ARG A 475 -4.282 -3.502 -12.837 1.00 32.13 O ATOM 1245 CB ARG A 475 -4.181 -4.081 -15.877 1.00 43.52 C ATOM 1246 CG ARG A 475 -4.031 -2.630 -16.330 1.00 40.22 C ATOM 1247 CD ARG A 475 -3.037 -2.525 -17.453 1.00 71.32 C ATOM 1248 NE ARG A 475 -3.511 -3.203 -18.661 1.00 42.05 N ATOM 1249 CZ ARG A 475 -4.310 -2.666 -19.606 1.00 64.14 C ATOM 1250 NH1 ARG A 475 -4.755 -1.420 -19.500 1.00 5.30 N ATOM 1251 NH2 ARG A 475 -4.693 -3.411 -20.633 1.00 11.32 N ATOM 0 H ARG A 475 -4.465 -6.163 -14.250 1.00 71.34 H new ATOM 0 HA ARG A 475 -2.162 -4.542 -15.128 1.00 34.45 H new ATOM 0 HB2 ARG A 475 -4.049 -4.729 -16.743 1.00 43.52 H new ATOM 0 HB3 ARG A 475 -5.201 -4.229 -15.521 1.00 43.52 H new ATOM 0 HG2 ARG A 475 -4.997 -2.243 -16.655 1.00 40.22 H new ATOM 0 HG3 ARG A 475 -3.707 -2.014 -15.492 1.00 40.22 H new ATOM 0 HD2 ARG A 475 -2.849 -1.475 -17.675 1.00 71.32 H new ATOM 0 HD3 ARG A 475 -2.088 -2.960 -17.140 1.00 71.32 H new ATOM 0 HE ARG A 475 -3.210 -4.168 -18.801 1.00 42.05 H new ATOM 0 HH11 ARG A 475 -4.494 -0.852 -18.694 1.00 5.30 H new ATOM 0 HH12 ARG A 475 -5.358 -1.031 -20.224 1.00 5.30 H new ATOM 0 HH21 ARG A 475 -4.384 -4.380 -20.703 1.00 11.32 H new ATOM 0 HH22 ARG A 475 -5.297 -3.015 -21.353 1.00 11.32 H new ATOM 1265 N LEU A 476 -2.182 -2.678 -13.232 1.00 54.22 N ATOM 1266 CA LEU A 476 -2.304 -1.444 -12.350 1.00 30.21 C ATOM 1267 C LEU A 476 -3.392 -0.398 -12.880 1.00 22.34 C ATOM 1268 O LEU A 476 -3.308 0.019 -14.041 1.00 74.53 O ATOM 1269 CB LEU A 476 -0.927 -0.678 -12.347 1.00 13.40 C ATOM 1270 CG LEU A 476 -0.546 0.263 -11.156 1.00 53.02 C ATOM 1271 CD1 LEU A 476 0.159 -0.457 -9.995 1.00 43.33 C ATOM 1272 CD2 LEU A 476 0.374 1.380 -11.616 1.00 73.33 C ATOM 0 H LEU A 476 -1.241 -2.833 -13.595 1.00 54.22 H new ATOM 0 HA LEU A 476 -2.601 -1.801 -11.364 1.00 30.21 H new ATOM 0 HB2 LEU A 476 -0.141 -1.429 -12.429 1.00 13.40 H new ATOM 0 HB3 LEU A 476 -0.890 -0.078 -13.256 1.00 13.40 H new ATOM 0 HG LEU A 476 -1.499 0.651 -10.797 1.00 53.02 H new ATOM 0 HD11 LEU A 476 0.391 0.261 -9.209 1.00 43.33 H new ATOM 0 HD12 LEU A 476 -0.495 -1.232 -9.597 1.00 43.33 H new ATOM 0 HD13 LEU A 476 1.082 -0.911 -10.355 1.00 43.33 H new ATOM 0 HD21 LEU A 476 0.623 2.019 -10.768 1.00 73.33 H new ATOM 0 HD22 LEU A 476 1.288 0.952 -12.029 1.00 73.33 H new ATOM 0 HD23 LEU A 476 -0.127 1.972 -12.382 1.00 73.33 H new ATOM 1284 N LYS A 477 -4.414 0.020 -12.038 1.00 65.22 N ATOM 1285 CA LYS A 477 -5.386 1.145 -12.414 1.00 64.35 C ATOM 1286 C LYS A 477 -5.397 2.232 -11.244 1.00 2.55 C ATOM 1287 O LYS A 477 -5.880 1.930 -10.147 1.00 22.43 O ATOM 1288 CB LYS A 477 -6.842 0.595 -12.823 1.00 25.23 C ATOM 1289 CG LYS A 477 -8.096 1.589 -13.063 1.00 11.02 C ATOM 1290 CD LYS A 477 -7.823 2.908 -13.847 1.00 5.22 C ATOM 1291 CE LYS A 477 -9.136 3.700 -14.219 1.00 51.41 C ATOM 1292 NZ LYS A 477 -10.348 3.208 -13.508 1.00 40.54 N ATOM 0 H LYS A 477 -4.588 -0.388 -11.119 1.00 65.22 H new ATOM 0 HA LYS A 477 -5.038 1.640 -13.321 1.00 64.35 H new ATOM 0 HB2 LYS A 477 -6.715 0.021 -13.741 1.00 25.23 H new ATOM 0 HB3 LYS A 477 -7.142 -0.108 -12.046 1.00 25.23 H new ATOM 0 HG2 LYS A 477 -8.869 1.034 -13.595 1.00 11.02 H new ATOM 0 HG3 LYS A 477 -8.507 1.854 -12.089 1.00 11.02 H new ATOM 0 HD2 LYS A 477 -7.177 3.551 -13.248 1.00 5.22 H new ATOM 0 HD3 LYS A 477 -7.279 2.672 -14.761 1.00 5.22 H new ATOM 0 HE2 LYS A 477 -8.992 4.755 -13.988 1.00 51.41 H new ATOM 0 HE3 LYS A 477 -9.301 3.629 -15.294 1.00 51.41 H new ATOM 0 HZ1 LYS A 477 -11.139 3.861 -13.678 1.00 40.54 H new ATOM 0 HZ2 LYS A 477 -10.598 2.262 -13.861 1.00 40.54 H new ATOM 0 HZ3 LYS A 477 -10.155 3.157 -12.487 1.00 40.54 H new ATOM 1306 N VAL A 478 -4.846 3.489 -11.476 1.00 71.14 N ATOM 1307 CA VAL A 478 -4.599 4.513 -10.410 1.00 4.30 C ATOM 1308 C VAL A 478 -5.844 5.469 -10.213 1.00 3.41 C ATOM 1309 O VAL A 478 -6.469 5.845 -11.211 1.00 33.02 O ATOM 1310 CB VAL A 478 -3.265 5.361 -10.782 1.00 45.51 C ATOM 1311 CG1 VAL A 478 -3.332 6.886 -10.591 1.00 55.55 C ATOM 1312 CG2 VAL A 478 -2.029 4.885 -10.031 1.00 54.35 C ATOM 0 H VAL A 478 -4.568 3.803 -12.406 1.00 71.14 H new ATOM 0 HA VAL A 478 -4.448 3.998 -9.461 1.00 4.30 H new ATOM 0 HB VAL A 478 -3.198 5.163 -11.852 1.00 45.51 H new ATOM 0 HG11 VAL A 478 -2.378 7.330 -10.875 1.00 55.55 H new ATOM 0 HG12 VAL A 478 -4.124 7.297 -11.217 1.00 55.55 H new ATOM 0 HG13 VAL A 478 -3.541 7.113 -9.546 1.00 55.55 H new ATOM 0 HG21 VAL A 478 -1.171 5.490 -10.322 1.00 54.35 H new ATOM 0 HG22 VAL A 478 -2.195 4.983 -8.958 1.00 54.35 H new ATOM 0 HG23 VAL A 478 -1.835 3.840 -10.274 1.00 54.35 H new ATOM 1322 N GLN A 479 -6.232 5.844 -8.934 1.00 24.50 N ATOM 1323 CA GLN A 479 -7.324 6.813 -8.690 1.00 71.11 C ATOM 1324 C GLN A 479 -6.855 7.928 -7.669 1.00 55.32 C ATOM 1325 O GLN A 479 -6.260 7.588 -6.649 1.00 1.34 O ATOM 1326 CB GLN A 479 -8.616 6.044 -8.176 1.00 62.10 C ATOM 1327 CG GLN A 479 -8.300 4.778 -7.328 1.00 72.15 C ATOM 1328 CD GLN A 479 -8.453 4.946 -5.823 1.00 10.42 C ATOM 1329 OE1 GLN A 479 -8.392 6.048 -5.282 1.00 72.25 O ATOM 1330 NE2 GLN A 479 -8.568 3.820 -5.121 1.00 71.53 N ATOM 0 H GLN A 479 -5.798 5.483 -8.084 1.00 24.50 H new ATOM 0 HA GLN A 479 -7.580 7.317 -9.622 1.00 71.11 H new ATOM 0 HB2 GLN A 479 -9.220 6.727 -7.580 1.00 62.10 H new ATOM 0 HB3 GLN A 479 -9.219 5.752 -9.036 1.00 62.10 H new ATOM 0 HG2 GLN A 479 -8.954 3.970 -7.655 1.00 72.15 H new ATOM 0 HG3 GLN A 479 -7.277 4.466 -7.540 1.00 72.15 H new ATOM 0 HE21 GLN A 479 -8.616 2.922 -5.602 1.00 71.53 H new ATOM 0 HE22 GLN A 479 -8.608 3.856 -4.102 1.00 71.53 H new