USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=7 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 Single : A 398 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.2) USER MOD Single : A 399 LYS NZ :NH3+ 167:sc= -0.044 (180deg=-0.248) USER MOD Single : A 406 ASN : amide:sc= 0 X(o=0,f=0.48) 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) USER MOD Single : A 414 GLN : amide:sc= -0.868 K(o=-0.87,f=-1.6) USER MOD Single : A 419 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.031) USER MOD Single : A 423 GLN : amide:sc= 0.455 X(o=0.45,f=0) USER MOD Single : A 424 MET CE :methyl -163:sc= -0.013 (180deg=-0.539) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot 24:sc= 0.733 USER MOD Single : A 455 ASN : amide:sc= -1.34 K(o=-1.3,f=0) USER MOD Single : A 458 SER OG : rot 180:sc=0.000911 USER MOD Single : A 460 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.29) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.488 K(o=0.49,f=-0.11) USER MOD Single : A 470 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.6!) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.906 K(o=-0.91,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.994 6.770 7.489 1.00 52.02 N ATOM 57 CA GLN A 398 0.051 7.463 6.562 1.00 63.23 C ATOM 58 C GLN A 398 -0.448 8.814 7.165 1.00 52.44 C ATOM 59 O GLN A 398 -1.480 8.873 7.837 1.00 11.02 O ATOM 60 CB GLN A 398 -1.143 6.514 6.157 1.00 64.03 C ATOM 61 CG GLN A 398 -2.360 7.133 5.362 1.00 33.54 C ATOM 62 CD GLN A 398 -2.010 7.862 4.037 1.00 2.52 C ATOM 63 OE1 GLN A 398 -1.035 7.522 3.388 1.00 74.12 O ATOM 64 NE2 GLN A 398 -2.843 8.832 3.588 1.00 65.01 N ATOM 0 HA GLN A 398 0.592 7.707 5.648 1.00 63.23 H new ATOM 0 HB2 GLN A 398 -0.733 5.702 5.556 1.00 64.03 H new ATOM 0 HB3 GLN A 398 -1.536 6.067 7.070 1.00 64.03 H new ATOM 0 HG2 GLN A 398 -3.066 6.333 5.137 1.00 33.54 H new ATOM 0 HG3 GLN A 398 -2.874 7.837 6.016 1.00 33.54 H new ATOM 0 HE21 GLN A 398 -3.654 9.105 4.143 1.00 65.01 H new ATOM 0 HE22 GLN A 398 -2.659 9.289 2.695 1.00 65.01 H new ATOM 73 N LYS A 399 0.363 9.861 7.008 1.00 41.33 N ATOM 74 CA LYS A 399 -0.035 11.257 7.240 1.00 50.32 C ATOM 75 C LYS A 399 0.321 12.103 5.974 1.00 63.14 C ATOM 76 O LYS A 399 1.498 12.255 5.628 1.00 51.24 O ATOM 77 CB LYS A 399 0.544 11.873 8.593 1.00 14.12 C ATOM 78 CG LYS A 399 2.059 12.137 8.740 1.00 64.33 C ATOM 79 CD LYS A 399 2.913 10.951 8.303 1.00 72.31 C ATOM 80 CE LYS A 399 4.420 11.133 8.572 1.00 75.01 C ATOM 81 NZ LYS A 399 4.698 11.385 10.026 1.00 34.33 N ATOM 0 H LYS A 399 1.334 9.765 6.711 1.00 41.33 H new ATOM 0 HA LYS A 399 -1.114 11.285 7.390 1.00 50.32 H new ATOM 0 HB2 LYS A 399 0.033 12.821 8.761 1.00 14.12 H new ATOM 0 HB3 LYS A 399 0.252 11.205 9.403 1.00 14.12 H new ATOM 0 HG2 LYS A 399 2.330 13.011 8.148 1.00 64.33 H new ATOM 0 HG3 LYS A 399 2.282 12.375 9.780 1.00 64.33 H new ATOM 0 HD2 LYS A 399 2.567 10.056 8.821 1.00 72.31 H new ATOM 0 HD3 LYS A 399 2.762 10.781 7.237 1.00 72.31 H new ATOM 0 HE2 LYS A 399 4.958 10.242 8.248 1.00 75.01 H new ATOM 0 HE3 LYS A 399 4.797 11.966 7.980 1.00 75.01 H new ATOM 0 HZ1 LYS A 399 5.717 11.284 10.207 1.00 34.33 H new ATOM 0 HZ2 LYS A 399 4.396 12.348 10.275 1.00 34.33 H new ATOM 0 HZ3 LYS A 399 4.174 10.697 10.604 1.00 34.33 H new ATOM 95 N GLU A 400 -0.704 12.567 5.226 1.00 21.54 N ATOM 96 CA GLU A 400 -0.473 13.424 4.020 1.00 42.15 C ATOM 97 C GLU A 400 -0.237 14.908 4.400 1.00 14.40 C ATOM 98 O GLU A 400 -0.700 15.384 5.442 1.00 74.53 O ATOM 99 CB GLU A 400 -1.563 13.279 2.871 1.00 63.32 C ATOM 100 CG GLU A 400 -3.027 13.370 3.299 1.00 22.13 C ATOM 101 CD GLU A 400 -3.625 14.768 3.284 1.00 3.33 C ATOM 102 OE1 GLU A 400 -4.110 15.192 2.211 1.00 61.31 O ATOM 103 OE2 GLU A 400 -3.665 15.414 4.352 1.00 72.32 O ATOM 0 H GLU A 400 -1.686 12.373 5.423 1.00 21.54 H new ATOM 0 HA GLU A 400 0.445 13.032 3.582 1.00 42.15 H new ATOM 0 HB2 GLU A 400 -1.377 14.053 2.126 1.00 63.32 H new ATOM 0 HB3 GLU A 400 -1.412 12.319 2.378 1.00 63.32 H new ATOM 0 HG2 GLU A 400 -3.620 12.732 2.643 1.00 22.13 H new ATOM 0 HG3 GLU A 400 -3.119 12.964 4.307 1.00 22.13 H new ATOM 110 N GLY A 401 0.560 15.586 3.567 1.00 72.34 N ATOM 111 CA GLY A 401 0.887 17.026 3.753 1.00 61.34 C ATOM 112 C GLY A 401 -0.212 18.010 3.283 1.00 20.03 C ATOM 113 O GLY A 401 -1.236 18.101 3.966 1.00 23.54 O ATOM 0 H GLY A 401 0.999 15.167 2.748 1.00 72.34 H new ATOM 0 HA2 GLY A 401 1.087 17.205 4.810 1.00 61.34 H new ATOM 0 HA3 GLY A 401 1.808 17.247 3.213 1.00 61.34 H new ATOM 117 N PRO A 402 -0.063 18.801 2.154 1.00 43.23 N ATOM 118 CA PRO A 402 -1.025 19.863 1.845 1.00 30.21 C ATOM 119 C PRO A 402 -2.205 19.390 0.982 1.00 22.05 C ATOM 120 O PRO A 402 -2.151 18.308 0.375 1.00 64.02 O ATOM 121 CB PRO A 402 -0.142 20.864 1.091 1.00 75.13 C ATOM 122 CG PRO A 402 0.753 20.006 0.266 1.00 74.21 C ATOM 123 CD PRO A 402 1.000 18.756 1.086 1.00 73.12 C ATOM 0 HA PRO A 402 -1.514 20.263 2.733 1.00 30.21 H new ATOM 0 HB2 PRO A 402 -0.738 21.533 0.470 1.00 75.13 H new ATOM 0 HB3 PRO A 402 0.427 21.490 1.778 1.00 75.13 H new ATOM 0 HG2 PRO A 402 0.288 19.761 -0.689 1.00 74.21 H new ATOM 0 HG3 PRO A 402 1.689 20.518 0.043 1.00 74.21 H new ATOM 0 HD2 PRO A 402 0.915 17.856 0.477 1.00 73.12 H new ATOM 0 HD3 PRO A 402 2.000 18.754 1.519 1.00 73.12 H new ATOM 131 N GLU A 403 -3.306 20.152 1.037 1.00 43.54 N ATOM 132 CA GLU A 403 -4.354 20.102 0.026 1.00 33.35 C ATOM 133 C GLU A 403 -3.743 20.069 -1.426 1.00 20.12 C ATOM 134 O GLU A 403 -3.112 21.025 -1.898 1.00 73.53 O ATOM 135 CB GLU A 403 -5.316 21.318 0.254 1.00 12.12 C ATOM 136 CG GLU A 403 -4.885 22.740 -0.215 1.00 54.14 C ATOM 137 CD GLU A 403 -5.842 23.343 -1.210 1.00 42.02 C ATOM 138 OE1 GLU A 403 -6.881 23.885 -0.769 1.00 34.12 O ATOM 139 OE2 GLU A 403 -5.547 23.299 -2.418 1.00 74.14 O ATOM 0 H GLU A 403 -3.489 20.819 1.787 1.00 43.54 H new ATOM 0 HA GLU A 403 -4.929 19.181 0.122 1.00 33.35 H new ATOM 0 HB2 GLU A 403 -6.259 21.084 -0.239 1.00 12.12 H new ATOM 0 HB3 GLU A 403 -5.521 21.376 1.323 1.00 12.12 H new ATOM 0 HG2 GLU A 403 -4.809 23.396 0.652 1.00 54.14 H new ATOM 0 HG3 GLU A 403 -3.892 22.685 -0.661 1.00 54.14 H new ATOM 146 N GLY A 404 -3.832 18.901 -2.085 1.00 52.14 N ATOM 147 CA GLY A 404 -3.582 18.829 -3.511 1.00 74.15 C ATOM 148 C GLY A 404 -2.836 17.550 -3.976 1.00 70.45 C ATOM 149 O GLY A 404 -2.704 17.315 -5.183 1.00 73.24 O ATOM 0 H GLY A 404 -4.073 18.011 -1.648 1.00 52.14 H new ATOM 0 HA2 GLY A 404 -4.535 18.888 -4.036 1.00 74.15 H new ATOM 0 HA3 GLY A 404 -2.999 19.701 -3.808 1.00 74.15 H new ATOM 153 N ALA A 405 -2.336 16.731 -3.027 1.00 32.41 N ATOM 154 CA ALA A 405 -1.664 15.457 -3.345 1.00 31.24 C ATOM 155 C ALA A 405 -2.324 14.287 -2.519 1.00 42.43 C ATOM 156 O ALA A 405 -2.182 14.270 -1.287 1.00 14.42 O ATOM 157 CB ALA A 405 -0.210 15.620 -2.901 1.00 53.40 C ATOM 0 H ALA A 405 -2.387 16.933 -2.028 1.00 32.41 H new ATOM 0 HA ALA A 405 -1.743 15.222 -4.406 1.00 31.24 H new ATOM 0 HB1 ALA A 405 0.340 14.703 -3.112 1.00 53.40 H new ATOM 0 HB2 ALA A 405 0.245 16.449 -3.443 1.00 53.40 H new ATOM 0 HB3 ALA A 405 -0.177 15.824 -1.831 1.00 53.40 H new ATOM 163 N ASN A 406 -3.044 13.344 -3.190 1.00 10.31 N ATOM 164 CA ASN A 406 -3.356 11.933 -2.647 1.00 64.22 C ATOM 165 C ASN A 406 -3.669 10.869 -3.795 1.00 51.33 C ATOM 166 O ASN A 406 -4.664 11.016 -4.498 1.00 15.22 O ATOM 167 CB ASN A 406 -4.522 12.068 -1.575 1.00 31.04 C ATOM 168 CG ASN A 406 -5.639 13.066 -1.909 1.00 22.10 C ATOM 169 OD1 ASN A 406 -6.103 13.167 -3.049 1.00 5.42 O ATOM 170 ND2 ASN A 406 -6.077 13.840 -0.906 1.00 11.42 N ATOM 0 H ASN A 406 -3.434 13.510 -4.118 1.00 10.31 H new ATOM 0 HA ASN A 406 -2.468 11.527 -2.163 1.00 64.22 H new ATOM 0 HB2 ASN A 406 -4.972 11.085 -1.433 1.00 31.04 H new ATOM 0 HB3 ASN A 406 -4.079 12.356 -0.622 1.00 31.04 H new ATOM 0 HD21 ASN A 406 -6.808 14.530 -1.076 1.00 11.42 H new ATOM 0 HD22 ASN A 406 -5.679 13.739 0.028 1.00 11.42 H new ATOM 177 N LEU A 407 -2.822 9.776 -3.984 1.00 75.31 N ATOM 178 CA LEU A 407 -3.035 8.764 -5.072 1.00 14.04 C ATOM 179 C LEU A 407 -3.278 7.290 -4.502 1.00 75.53 C ATOM 180 O LEU A 407 -2.362 6.772 -3.851 1.00 43.11 O ATOM 181 CB LEU A 407 -1.717 8.770 -5.900 1.00 31.41 C ATOM 182 CG LEU A 407 -1.416 9.972 -6.794 1.00 70.54 C ATOM 183 CD1 LEU A 407 -2.664 10.483 -7.523 1.00 51.32 C ATOM 184 CD2 LEU A 407 -0.734 11.067 -5.997 1.00 64.31 C ATOM 0 H LEU A 407 -2.006 9.590 -3.401 1.00 75.31 H new ATOM 0 HA LEU A 407 -3.920 9.022 -5.653 1.00 14.04 H new ATOM 0 HB2 LEU A 407 -0.887 8.662 -5.201 1.00 31.41 H new ATOM 0 HB3 LEU A 407 -1.719 7.881 -6.531 1.00 31.41 H new ATOM 0 HG LEU A 407 -0.728 9.643 -7.573 1.00 70.54 H new ATOM 0 HD11 LEU A 407 -2.398 11.337 -8.145 1.00 51.32 H new ATOM 0 HD12 LEU A 407 -3.069 9.689 -8.151 1.00 51.32 H new ATOM 0 HD13 LEU A 407 -3.414 10.786 -6.792 1.00 51.32 H new ATOM 0 HD21 LEU A 407 -0.527 11.916 -6.649 1.00 64.31 H new ATOM 0 HD22 LEU A 407 -1.386 11.385 -5.183 1.00 64.31 H new ATOM 0 HD23 LEU A 407 0.202 10.688 -5.585 1.00 64.31 H new ATOM 196 N PHE A 408 -4.471 6.580 -4.720 1.00 1.20 N ATOM 197 CA PHE A 408 -4.612 5.147 -4.207 1.00 23.11 C ATOM 198 C PHE A 408 -4.656 4.084 -5.361 1.00 44.15 C ATOM 199 O PHE A 408 -5.013 4.409 -6.504 1.00 63.32 O ATOM 200 CB PHE A 408 -5.779 4.944 -3.153 1.00 64.22 C ATOM 201 CG PHE A 408 -5.672 5.864 -1.926 1.00 73.42 C ATOM 202 CD1 PHE A 408 -4.438 6.148 -1.335 1.00 23.44 C ATOM 203 CD2 PHE A 408 -6.801 6.465 -1.392 1.00 72.35 C ATOM 204 CE1 PHE A 408 -4.322 7.020 -0.257 1.00 42.21 C ATOM 205 CE2 PHE A 408 -6.701 7.327 -0.304 1.00 64.01 C ATOM 206 CZ PHE A 408 -5.461 7.608 0.257 1.00 63.30 C ATOM 0 H PHE A 408 -5.286 6.948 -5.210 1.00 1.20 H new ATOM 0 HA PHE A 408 -3.692 4.966 -3.651 1.00 23.11 H new ATOM 0 HB2 PHE A 408 -6.736 5.120 -3.645 1.00 64.22 H new ATOM 0 HB3 PHE A 408 -5.778 3.906 -2.819 1.00 64.22 H new ATOM 0 HD1 PHE A 408 -3.548 5.677 -1.726 1.00 23.44 H new ATOM 0 HD2 PHE A 408 -7.769 6.262 -1.825 1.00 72.35 H new ATOM 0 HE1 PHE A 408 -3.354 7.234 0.172 1.00 42.21 H new ATOM 0 HE2 PHE A 408 -7.591 7.780 0.106 1.00 64.01 H new ATOM 0 HZ PHE A 408 -5.388 8.286 1.095 1.00 63.30 H new ATOM 216 N ILE A 409 -4.299 2.799 -5.036 1.00 51.42 N ATOM 217 CA ILE A 409 -3.917 1.764 -6.097 1.00 21.41 C ATOM 218 C ILE A 409 -5.073 0.679 -6.181 1.00 12.43 C ATOM 219 O ILE A 409 -5.271 -0.046 -5.210 1.00 43.55 O ATOM 220 CB ILE A 409 -2.462 1.036 -5.877 1.00 42.21 C ATOM 221 CG1 ILE A 409 -1.201 1.956 -6.239 1.00 30.24 C ATOM 222 CG2 ILE A 409 -2.284 -0.308 -6.693 1.00 24.35 C ATOM 223 CD1 ILE A 409 -1.153 3.467 -5.916 1.00 42.44 C ATOM 0 H ILE A 409 -4.263 2.448 -4.079 1.00 51.42 H new ATOM 0 HA ILE A 409 -3.806 2.309 -7.034 1.00 21.41 H new ATOM 0 HB ILE A 409 -2.478 0.830 -4.807 1.00 42.21 H new ATOM 0 HG12 ILE A 409 -0.337 1.506 -5.751 1.00 30.24 H new ATOM 0 HG13 ILE A 409 -1.045 1.862 -7.314 1.00 30.24 H new ATOM 0 HG21 ILE A 409 -1.298 -0.727 -6.494 1.00 24.35 H new ATOM 0 HG22 ILE A 409 -3.050 -1.022 -6.389 1.00 24.35 H new ATOM 0 HG23 ILE A 409 -2.382 -0.102 -7.759 1.00 24.35 H new ATOM 0 HD11 ILE A 409 -0.203 3.881 -6.253 1.00 42.44 H new ATOM 0 HD12 ILE A 409 -1.971 3.974 -6.427 1.00 42.44 H new ATOM 0 HD13 ILE A 409 -1.251 3.612 -4.840 1.00 42.44 H new ATOM 235 N TYR A 410 -5.879 0.588 -7.284 1.00 1.10 N ATOM 236 CA TYR A 410 -6.837 -0.536 -7.477 1.00 42.44 C ATOM 237 C TYR A 410 -6.200 -1.612 -8.389 1.00 4.01 C ATOM 238 O TYR A 410 -5.540 -1.239 -9.362 1.00 75.30 O ATOM 239 CB TYR A 410 -8.129 0.083 -8.119 1.00 43.21 C ATOM 240 CG TYR A 410 -9.356 0.294 -7.253 1.00 63.22 C ATOM 241 CD1 TYR A 410 -9.326 0.900 -5.985 1.00 23.12 C ATOM 242 CD2 TYR A 410 -10.592 -0.072 -7.763 1.00 4.54 C ATOM 243 CE1 TYR A 410 -10.495 1.102 -5.268 1.00 64.30 C ATOM 244 CE2 TYR A 410 -11.749 0.132 -7.059 1.00 32.23 C ATOM 245 CZ TYR A 410 -11.704 0.719 -5.809 1.00 3.24 C ATOM 246 OH TYR A 410 -12.866 0.915 -5.095 1.00 45.32 O ATOM 0 H TYR A 410 -5.881 1.272 -8.040 1.00 1.10 H new ATOM 0 HA TYR A 410 -7.088 -1.027 -6.537 1.00 42.44 H new ATOM 0 HB2 TYR A 410 -7.855 1.050 -8.541 1.00 43.21 H new ATOM 0 HB3 TYR A 410 -8.421 -0.557 -8.952 1.00 43.21 H new ATOM 0 HD1 TYR A 410 -8.381 1.212 -5.565 1.00 23.12 H new ATOM 0 HD2 TYR A 410 -10.644 -0.529 -8.740 1.00 4.54 H new ATOM 0 HE1 TYR A 410 -10.459 1.558 -4.289 1.00 64.30 H new ATOM 0 HE2 TYR A 410 -12.697 -0.166 -7.481 1.00 32.23 H new ATOM 0 HH TYR A 410 -13.629 0.592 -5.617 1.00 45.32 H new ATOM 256 N HIS A 411 -6.380 -2.962 -8.038 1.00 30.12 N ATOM 257 CA HIS A 411 -5.764 -4.111 -8.788 1.00 41.21 C ATOM 258 C HIS A 411 -4.217 -4.200 -8.617 1.00 13.42 C ATOM 259 O HIS A 411 -3.474 -3.945 -9.563 1.00 3.30 O ATOM 260 CB HIS A 411 -6.111 -4.070 -10.285 1.00 23.45 C ATOM 261 CG HIS A 411 -7.558 -4.287 -10.653 1.00 63.03 C ATOM 262 ND1 HIS A 411 -8.069 -5.457 -11.180 1.00 34.41 N ATOM 263 CD2 HIS A 411 -8.594 -3.420 -10.614 1.00 14.10 C ATOM 264 CE1 HIS A 411 -9.355 -5.283 -11.449 1.00 74.10 C ATOM 265 NE2 HIS A 411 -9.697 -4.056 -11.113 1.00 62.03 N ATOM 0 H HIS A 411 -6.947 -3.256 -7.242 1.00 30.12 H new ATOM 0 HA HIS A 411 -6.199 -5.005 -8.342 1.00 41.21 H new ATOM 0 HB2 HIS A 411 -5.801 -3.102 -10.679 1.00 23.45 H new ATOM 0 HB3 HIS A 411 -5.514 -4.827 -10.793 1.00 23.45 H new ATOM 0 HD2 HIS A 411 -8.557 -2.403 -10.252 1.00 14.10 H new ATOM 0 HE1 HIS A 411 -10.014 -6.025 -11.874 1.00 74.10 H new ATOM 0 HE2 HIS A 411 -10.627 -3.649 -11.209 1.00 62.03 H new ATOM 274 N LEU A 412 -3.742 -4.516 -7.396 1.00 0.33 N ATOM 275 CA LEU A 412 -2.301 -4.546 -7.090 1.00 61.41 C ATOM 276 C LEU A 412 -1.659 -5.855 -7.657 1.00 5.41 C ATOM 277 O LEU A 412 -2.114 -6.945 -7.295 1.00 74.45 O ATOM 278 CB LEU A 412 -2.051 -4.373 -5.533 1.00 74.25 C ATOM 279 CG LEU A 412 -0.628 -4.688 -4.995 1.00 35.13 C ATOM 280 CD1 LEU A 412 -0.103 -3.588 -4.077 1.00 5.41 C ATOM 281 CD2 LEU A 412 -0.595 -5.999 -4.196 1.00 2.24 C ATOM 0 H LEU A 412 -4.339 -4.755 -6.604 1.00 0.33 H new ATOM 0 HA LEU A 412 -1.813 -3.704 -7.580 1.00 61.41 H new ATOM 0 HB2 LEU A 412 -2.291 -3.344 -5.266 1.00 74.25 H new ATOM 0 HB3 LEU A 412 -2.759 -5.012 -5.006 1.00 74.25 H new ATOM 0 HG LEU A 412 0.001 -4.768 -5.882 1.00 35.13 H new ATOM 0 HD11 LEU A 412 0.894 -3.852 -3.726 1.00 5.41 H new ATOM 0 HD12 LEU A 412 -0.057 -2.647 -4.626 1.00 5.41 H new ATOM 0 HD13 LEU A 412 -0.771 -3.477 -3.223 1.00 5.41 H new ATOM 0 HD21 LEU A 412 0.418 -6.182 -3.838 1.00 2.24 H new ATOM 0 HD22 LEU A 412 -1.272 -5.924 -3.345 1.00 2.24 H new ATOM 0 HD23 LEU A 412 -0.908 -6.824 -4.837 1.00 2.24 H new ATOM 293 N PRO A 413 -0.643 -5.776 -8.607 1.00 72.15 N ATOM 294 CA PRO A 413 0.072 -6.966 -9.147 1.00 32.43 C ATOM 295 C PRO A 413 0.998 -7.745 -8.150 1.00 72.40 C ATOM 296 O PRO A 413 1.126 -7.380 -6.979 1.00 61.41 O ATOM 297 CB PRO A 413 0.782 -6.469 -10.389 1.00 30.15 C ATOM 298 CG PRO A 413 0.982 -5.035 -10.206 1.00 63.43 C ATOM 299 CD PRO A 413 -0.125 -4.531 -9.311 1.00 24.12 C ATOM 0 HA PRO A 413 -0.650 -7.752 -9.369 1.00 32.43 H new ATOM 0 HB2 PRO A 413 1.736 -6.980 -10.521 1.00 30.15 H new ATOM 0 HB3 PRO A 413 0.188 -6.667 -11.281 1.00 30.15 H new ATOM 0 HG2 PRO A 413 1.956 -4.838 -9.758 1.00 63.43 H new ATOM 0 HG3 PRO A 413 0.963 -4.520 -11.166 1.00 63.43 H new ATOM 0 HD2 PRO A 413 0.246 -3.796 -8.596 1.00 24.12 H new ATOM 0 HD3 PRO A 413 -0.912 -4.045 -9.888 1.00 24.12 H new ATOM 307 N GLN A 414 1.672 -8.798 -8.693 1.00 54.13 N ATOM 308 CA GLN A 414 2.017 -10.106 -8.084 1.00 52.24 C ATOM 309 C GLN A 414 2.250 -10.266 -6.525 1.00 13.23 C ATOM 310 O GLN A 414 1.404 -10.922 -5.912 1.00 21.23 O ATOM 311 CB GLN A 414 3.346 -10.453 -8.837 1.00 3.32 C ATOM 312 CG GLN A 414 4.272 -9.244 -9.218 1.00 73.14 C ATOM 313 CD GLN A 414 5.481 -9.075 -8.314 1.00 33.03 C ATOM 314 OE1 GLN A 414 6.028 -10.054 -7.816 1.00 0.32 O ATOM 315 NE2 GLN A 414 5.892 -7.826 -8.086 1.00 23.11 N ATOM 0 H GLN A 414 2.016 -8.744 -9.652 1.00 54.13 H new ATOM 0 HA GLN A 414 1.142 -10.747 -8.190 1.00 52.24 H new ATOM 0 HB2 GLN A 414 3.921 -11.140 -8.216 1.00 3.32 H new ATOM 0 HB3 GLN A 414 3.090 -10.988 -9.752 1.00 3.32 H new ATOM 0 HG2 GLN A 414 4.615 -9.374 -10.244 1.00 73.14 H new ATOM 0 HG3 GLN A 414 3.683 -8.327 -9.192 1.00 73.14 H new ATOM 0 HE21 GLN A 414 5.407 -7.042 -8.522 1.00 23.11 H new ATOM 0 HE22 GLN A 414 6.692 -7.656 -7.476 1.00 23.11 H new ATOM 324 N GLU A 415 3.284 -9.733 -5.851 1.00 64.20 N ATOM 325 CA GLU A 415 3.242 -9.658 -4.358 1.00 75.00 C ATOM 326 C GLU A 415 3.338 -8.222 -3.801 1.00 2.42 C ATOM 327 O GLU A 415 3.482 -8.087 -2.581 1.00 12.10 O ATOM 328 CB GLU A 415 4.247 -10.662 -3.675 1.00 21.12 C ATOM 329 CG GLU A 415 5.647 -10.139 -3.322 1.00 14.32 C ATOM 330 CD GLU A 415 6.590 -10.025 -4.497 1.00 21.53 C ATOM 331 OE1 GLU A 415 7.202 -11.058 -4.864 1.00 75.24 O ATOM 332 OE2 GLU A 415 6.732 -8.914 -5.042 1.00 51.22 O ATOM 0 H GLU A 415 4.130 -9.359 -6.282 1.00 64.20 H new ATOM 0 HA GLU A 415 2.243 -9.992 -4.078 1.00 75.00 H new ATOM 0 HB2 GLU A 415 3.785 -11.028 -2.758 1.00 21.12 H new ATOM 0 HB3 GLU A 415 4.366 -11.520 -4.337 1.00 21.12 H new ATOM 0 HG2 GLU A 415 5.548 -9.159 -2.856 1.00 14.32 H new ATOM 0 HG3 GLU A 415 6.091 -10.801 -2.579 1.00 14.32 H new ATOM 339 N PHE A 416 3.057 -7.182 -4.638 1.00 15.22 N ATOM 340 CA PHE A 416 3.829 -5.875 -4.580 1.00 71.34 C ATOM 341 C PHE A 416 3.823 -5.286 -3.119 1.00 73.53 C ATOM 342 O PHE A 416 2.795 -4.760 -2.675 1.00 25.34 O ATOM 343 CB PHE A 416 3.229 -4.770 -5.535 1.00 42.22 C ATOM 344 CG PHE A 416 3.989 -4.187 -6.698 1.00 64.23 C ATOM 345 CD1 PHE A 416 5.030 -4.801 -7.398 1.00 12.32 C ATOM 346 CD2 PHE A 416 3.561 -2.932 -7.110 1.00 73.31 C ATOM 347 CE1 PHE A 416 5.612 -4.157 -8.472 1.00 60.03 C ATOM 348 CE2 PHE A 416 4.125 -2.294 -8.184 1.00 40.21 C ATOM 349 CZ PHE A 416 5.157 -2.908 -8.876 1.00 65.11 C ATOM 0 H PHE A 416 2.325 -7.206 -5.348 1.00 15.22 H new ATOM 0 HA PHE A 416 4.842 -6.117 -4.903 1.00 71.34 H new ATOM 0 HB2 PHE A 416 2.307 -5.183 -5.944 1.00 42.22 H new ATOM 0 HB3 PHE A 416 2.947 -3.931 -4.898 1.00 42.22 H new ATOM 0 HD1 PHE A 416 5.379 -5.778 -7.100 1.00 12.32 H new ATOM 0 HD2 PHE A 416 2.762 -2.446 -6.570 1.00 73.31 H new ATOM 0 HE1 PHE A 416 6.427 -4.628 -9.002 1.00 60.03 H new ATOM 0 HE2 PHE A 416 3.768 -1.321 -8.488 1.00 40.21 H new ATOM 0 HZ PHE A 416 5.606 -2.417 -9.727 1.00 65.11 H new ATOM 359 N GLY A 417 4.958 -5.389 -2.362 1.00 44.15 N ATOM 360 CA GLY A 417 4.953 -5.105 -0.932 1.00 15.42 C ATOM 361 C GLY A 417 5.573 -3.731 -0.588 1.00 42.32 C ATOM 362 O GLY A 417 5.824 -2.937 -1.506 1.00 43.34 O ATOM 0 H GLY A 417 5.867 -5.665 -2.733 1.00 44.15 H new ATOM 0 HA2 GLY A 417 3.927 -5.137 -0.564 1.00 15.42 H new ATOM 0 HA3 GLY A 417 5.504 -5.887 -0.410 1.00 15.42 H new ATOM 366 N ASP A 418 5.816 -3.451 0.737 1.00 51.53 N ATOM 367 CA ASP A 418 6.299 -2.120 1.243 1.00 22.15 C ATOM 368 C ASP A 418 7.564 -1.610 0.511 1.00 54.52 C ATOM 369 O ASP A 418 7.560 -0.496 -0.015 1.00 70.43 O ATOM 370 CB ASP A 418 6.587 -2.175 2.780 1.00 61.23 C ATOM 371 CG ASP A 418 6.643 -0.805 3.412 1.00 12.31 C ATOM 372 OD1 ASP A 418 5.587 -0.320 3.860 1.00 33.32 O ATOM 373 OD2 ASP A 418 7.750 -0.239 3.480 1.00 40.31 O ATOM 0 H ASP A 418 5.683 -4.139 1.478 1.00 51.53 H new ATOM 0 HA ASP A 418 5.491 -1.418 1.038 1.00 22.15 H new ATOM 0 HB2 ASP A 418 5.812 -2.765 3.270 1.00 61.23 H new ATOM 0 HB3 ASP A 418 7.534 -2.688 2.950 1.00 61.23 H new ATOM 378 N GLN A 419 8.641 -2.427 0.513 1.00 5.11 N ATOM 379 CA GLN A 419 9.924 -2.096 -0.138 1.00 1.22 C ATOM 380 C GLN A 419 9.790 -1.770 -1.632 1.00 65.34 C ATOM 381 O GLN A 419 10.474 -0.846 -2.094 1.00 55.22 O ATOM 382 CB GLN A 419 11.014 -3.194 0.070 1.00 43.11 C ATOM 383 CG GLN A 419 10.753 -4.527 -0.645 1.00 73.11 C ATOM 384 CD GLN A 419 9.911 -5.515 0.162 1.00 14.31 C ATOM 385 OE1 GLN A 419 10.450 -6.294 0.939 1.00 20.43 O ATOM 386 NE2 GLN A 419 8.602 -5.523 -0.044 1.00 13.21 N ATOM 0 H GLN A 419 8.642 -3.339 0.969 1.00 5.11 H new ATOM 0 HA GLN A 419 10.252 -1.188 0.369 1.00 1.22 H new ATOM 0 HB2 GLN A 419 11.971 -2.800 -0.271 1.00 43.11 H new ATOM 0 HB3 GLN A 419 11.111 -3.387 1.138 1.00 43.11 H new ATOM 0 HG2 GLN A 419 10.251 -4.327 -1.591 1.00 73.11 H new ATOM 0 HG3 GLN A 419 11.709 -4.992 -0.884 1.00 73.11 H new ATOM 0 HE21 GLN A 419 8.185 -4.861 -0.698 1.00 13.21 H new ATOM 0 HE22 GLN A 419 8.012 -6.191 0.451 1.00 13.21 H new ATOM 395 N ASP A 420 8.942 -2.515 -2.393 1.00 35.32 N ATOM 396 CA ASP A 420 8.776 -2.219 -3.829 1.00 43.13 C ATOM 397 C ASP A 420 8.238 -0.805 -4.056 1.00 24.35 C ATOM 398 O ASP A 420 8.816 -0.055 -4.869 1.00 23.14 O ATOM 399 CB ASP A 420 7.932 -3.242 -4.648 1.00 73.53 C ATOM 400 CG ASP A 420 6.923 -2.574 -5.552 1.00 63.20 C ATOM 401 OD1 ASP A 420 7.299 -2.182 -6.678 1.00 3.14 O ATOM 402 OD2 ASP A 420 5.783 -2.389 -5.089 1.00 42.21 O ATOM 0 H ASP A 420 8.385 -3.295 -2.046 1.00 35.32 H new ATOM 0 HA ASP A 420 9.790 -2.307 -4.218 1.00 43.13 H new ATOM 0 HB2 ASP A 420 8.600 -3.859 -5.249 1.00 73.53 H new ATOM 0 HB3 ASP A 420 7.412 -3.910 -3.961 1.00 73.53 H new ATOM 407 N ILE A 421 7.114 -0.466 -3.357 1.00 55.45 N ATOM 408 CA ILE A 421 6.376 0.788 -3.585 1.00 1.33 C ATOM 409 C ILE A 421 7.261 2.053 -3.344 1.00 43.43 C ATOM 410 O ILE A 421 6.945 3.154 -3.815 1.00 12.15 O ATOM 411 CB ILE A 421 5.022 0.826 -2.702 1.00 54.25 C ATOM 412 CG1 ILE A 421 3.722 0.900 -3.571 1.00 33.32 C ATOM 413 CG2 ILE A 421 5.003 1.898 -1.600 1.00 55.03 C ATOM 414 CD1 ILE A 421 2.455 1.416 -2.879 1.00 33.21 C ATOM 0 H ILE A 421 6.708 -1.056 -2.630 1.00 55.45 H new ATOM 0 HA ILE A 421 6.093 0.811 -4.637 1.00 1.33 H new ATOM 0 HB ILE A 421 5.029 -0.136 -2.189 1.00 54.25 H new ATOM 0 HG12 ILE A 421 3.924 1.540 -4.430 1.00 33.32 H new ATOM 0 HG13 ILE A 421 3.515 -0.098 -3.958 1.00 33.32 H new ATOM 0 HG21 ILE A 421 4.057 1.849 -1.061 1.00 55.03 H new ATOM 0 HG22 ILE A 421 5.826 1.722 -0.907 1.00 55.03 H new ATOM 0 HG23 ILE A 421 5.113 2.885 -2.050 1.00 55.03 H new ATOM 0 HD11 ILE A 421 1.628 1.418 -3.589 1.00 33.21 H new ATOM 0 HD12 ILE A 421 2.210 0.767 -2.038 1.00 33.21 H new ATOM 0 HD13 ILE A 421 2.625 2.430 -2.518 1.00 33.21 H new ATOM 426 N LEU A 422 8.408 1.862 -2.667 1.00 34.34 N ATOM 427 CA LEU A 422 9.196 2.950 -2.189 1.00 74.24 C ATOM 428 C LEU A 422 10.152 3.361 -3.326 1.00 63.41 C ATOM 429 O LEU A 422 10.367 4.546 -3.577 1.00 51.42 O ATOM 430 CB LEU A 422 9.960 2.593 -0.840 1.00 20.14 C ATOM 431 CG LEU A 422 10.872 3.699 -0.189 1.00 53.32 C ATOM 432 CD1 LEU A 422 10.110 4.964 0.247 1.00 62.30 C ATOM 433 CD2 LEU A 422 11.626 3.168 1.031 1.00 11.14 C ATOM 0 H LEU A 422 8.791 0.942 -2.450 1.00 34.34 H new ATOM 0 HA LEU A 422 8.556 3.792 -1.926 1.00 74.24 H new ATOM 0 HB2 LEU A 422 9.214 2.299 -0.102 1.00 20.14 H new ATOM 0 HB3 LEU A 422 10.581 1.718 -1.030 1.00 20.14 H new ATOM 0 HG LEU A 422 11.565 3.971 -0.985 1.00 53.32 H new ATOM 0 HD11 LEU A 422 10.809 5.677 0.685 1.00 62.30 H new ATOM 0 HD12 LEU A 422 9.628 5.415 -0.620 1.00 62.30 H new ATOM 0 HD13 LEU A 422 9.353 4.697 0.985 1.00 62.30 H new ATOM 0 HD21 LEU A 422 12.244 3.962 1.451 1.00 11.14 H new ATOM 0 HD22 LEU A 422 10.912 2.829 1.781 1.00 11.14 H new ATOM 0 HD23 LEU A 422 12.261 2.334 0.732 1.00 11.14 H new ATOM 445 N GLN A 423 10.698 2.347 -4.026 1.00 1.21 N ATOM 446 CA GLN A 423 11.615 2.567 -5.166 1.00 70.02 C ATOM 447 C GLN A 423 10.938 2.698 -6.571 1.00 71.33 C ATOM 448 O GLN A 423 11.380 3.553 -7.348 1.00 51.02 O ATOM 449 CB GLN A 423 12.763 1.519 -5.145 1.00 54.31 C ATOM 450 CG GLN A 423 12.364 0.127 -5.658 1.00 23.34 C ATOM 451 CD GLN A 423 13.163 -1.012 -5.042 1.00 22.31 C ATOM 452 OE1 GLN A 423 14.225 -1.373 -5.526 1.00 14.43 O ATOM 453 NE2 GLN A 423 12.625 -1.621 -3.996 1.00 53.31 N ATOM 0 H GLN A 423 10.520 1.364 -3.822 1.00 1.21 H new ATOM 0 HA GLN A 423 12.037 3.560 -5.013 1.00 70.02 H new ATOM 0 HB2 GLN A 423 13.590 1.892 -5.750 1.00 54.31 H new ATOM 0 HB3 GLN A 423 13.133 1.424 -4.124 1.00 54.31 H new ATOM 0 HG2 GLN A 423 11.305 -0.034 -5.455 1.00 23.34 H new ATOM 0 HG3 GLN A 423 12.488 0.101 -6.741 1.00 23.34 H new ATOM 0 HE21 GLN A 423 11.737 -1.294 -3.617 1.00 53.31 H new ATOM 0 HE22 GLN A 423 13.099 -2.417 -3.570 1.00 53.31 H new ATOM 462 N MET A 424 9.887 1.888 -6.925 1.00 62.11 N ATOM 463 CA MET A 424 9.267 1.993 -8.295 1.00 34.04 C ATOM 464 C MET A 424 8.404 3.292 -8.416 1.00 14.22 C ATOM 465 O MET A 424 8.058 3.717 -9.517 1.00 74.24 O ATOM 466 CB MET A 424 8.468 0.660 -8.704 1.00 55.20 C ATOM 467 CG MET A 424 7.980 0.496 -10.204 1.00 0.32 C ATOM 468 SD MET A 424 9.320 0.494 -11.418 1.00 42.24 S ATOM 469 CE MET A 424 9.338 2.200 -11.954 1.00 23.22 C ATOM 0 H MET A 424 9.467 1.187 -6.315 1.00 62.11 H new ATOM 0 HA MET A 424 10.073 2.080 -9.024 1.00 34.04 H new ATOM 0 HB2 MET A 424 9.105 -0.193 -8.468 1.00 55.20 H new ATOM 0 HB3 MET A 424 7.591 0.590 -8.061 1.00 55.20 H new ATOM 0 HG2 MET A 424 7.421 -0.436 -10.294 1.00 0.32 H new ATOM 0 HG3 MET A 424 7.290 1.306 -10.441 1.00 0.32 H new ATOM 0 HE1 MET A 424 9.887 2.281 -12.892 1.00 23.22 H new ATOM 0 HE2 MET A 424 8.315 2.546 -12.101 1.00 23.22 H new ATOM 0 HE3 MET A 424 9.823 2.815 -11.196 1.00 23.22 H new ATOM 479 N PHE A 425 8.046 3.943 -7.290 1.00 51.20 N ATOM 480 CA PHE A 425 7.224 5.142 -7.321 1.00 74.23 C ATOM 481 C PHE A 425 8.093 6.418 -7.005 1.00 32.30 C ATOM 482 O PHE A 425 7.581 7.536 -7.011 1.00 70.04 O ATOM 483 CB PHE A 425 5.997 4.845 -6.413 1.00 63.24 C ATOM 484 CG PHE A 425 4.635 4.727 -7.097 1.00 64.01 C ATOM 485 CD1 PHE A 425 4.243 3.501 -7.652 1.00 64.04 C ATOM 486 CD2 PHE A 425 3.717 5.794 -7.178 1.00 72.42 C ATOM 487 CE1 PHE A 425 3.015 3.354 -8.260 1.00 24.04 C ATOM 488 CE2 PHE A 425 2.501 5.621 -7.781 1.00 24.20 C ATOM 489 CZ PHE A 425 2.150 4.413 -8.323 1.00 31.31 C ATOM 0 H PHE A 425 8.320 3.648 -6.353 1.00 51.20 H new ATOM 0 HA PHE A 425 6.824 5.393 -8.304 1.00 74.23 H new ATOM 0 HB2 PHE A 425 6.189 3.914 -5.879 1.00 63.24 H new ATOM 0 HB3 PHE A 425 5.932 5.634 -5.664 1.00 63.24 H new ATOM 0 HD1 PHE A 425 4.915 2.657 -7.602 1.00 64.04 H new ATOM 0 HD2 PHE A 425 3.976 6.756 -6.761 1.00 72.42 H new ATOM 0 HE1 PHE A 425 2.735 2.402 -8.687 1.00 24.04 H new ATOM 0 HE2 PHE A 425 1.808 6.448 -7.830 1.00 24.20 H new ATOM 0 HZ PHE A 425 1.189 4.296 -8.801 1.00 31.31 H new ATOM 499 N MET A 426 9.437 6.210 -6.749 1.00 0.43 N ATOM 500 CA MET A 426 10.423 7.287 -6.403 1.00 53.45 C ATOM 501 C MET A 426 10.918 8.222 -7.542 1.00 32.23 C ATOM 502 O MET A 426 11.146 9.392 -7.224 1.00 21.41 O ATOM 503 CB MET A 426 11.704 6.724 -5.778 1.00 60.00 C ATOM 504 CG MET A 426 11.952 7.323 -4.407 1.00 12.12 C ATOM 505 SD MET A 426 13.484 6.828 -3.608 1.00 34.30 S ATOM 506 CE MET A 426 13.371 7.848 -2.128 1.00 43.02 C ATOM 0 H MET A 426 9.859 5.282 -6.780 1.00 0.43 H new ATOM 0 HA MET A 426 9.813 7.880 -5.722 1.00 53.45 H new ATOM 0 HB2 MET A 426 11.626 5.640 -5.696 1.00 60.00 H new ATOM 0 HB3 MET A 426 12.553 6.934 -6.429 1.00 60.00 H new ATOM 0 HG2 MET A 426 11.945 8.409 -4.498 1.00 12.12 H new ATOM 0 HG3 MET A 426 11.120 7.053 -3.756 1.00 12.12 H new ATOM 0 HE1 MET A 426 14.245 7.676 -1.500 1.00 43.02 H new ATOM 0 HE2 MET A 426 13.330 8.899 -2.413 1.00 43.02 H new ATOM 0 HE3 MET A 426 12.469 7.587 -1.574 1.00 43.02 H new ATOM 516 N PRO A 427 11.150 7.769 -8.841 1.00 14.11 N ATOM 517 CA PRO A 427 11.958 8.542 -9.864 1.00 33.33 C ATOM 518 C PRO A 427 11.478 10.019 -10.238 1.00 71.11 C ATOM 519 O PRO A 427 12.139 10.672 -11.048 1.00 74.31 O ATOM 520 CB PRO A 427 11.905 7.579 -11.076 1.00 21.23 C ATOM 521 CG PRO A 427 10.600 6.896 -10.899 1.00 54.43 C ATOM 522 CD PRO A 427 10.682 6.491 -9.468 1.00 31.15 C ATOM 0 HA PRO A 427 12.948 8.778 -9.474 1.00 33.33 H new ATOM 0 HB2 PRO A 427 11.954 8.117 -12.022 1.00 21.23 H new ATOM 0 HB3 PRO A 427 12.735 6.873 -11.068 1.00 21.23 H new ATOM 0 HG2 PRO A 427 9.758 7.560 -11.092 1.00 54.43 H new ATOM 0 HG3 PRO A 427 10.489 6.040 -11.564 1.00 54.43 H new ATOM 0 HD2 PRO A 427 9.719 6.166 -9.075 1.00 31.15 H new ATOM 0 HD3 PRO A 427 11.384 5.672 -9.310 1.00 31.15 H new ATOM 530 N PHE A 428 10.355 10.551 -9.652 1.00 11.44 N ATOM 531 CA PHE A 428 9.965 12.004 -9.829 1.00 5.14 C ATOM 532 C PHE A 428 9.807 12.856 -8.505 1.00 22.43 C ATOM 533 O PHE A 428 9.200 13.934 -8.574 1.00 13.31 O ATOM 534 CB PHE A 428 8.668 12.225 -10.697 1.00 70.25 C ATOM 535 CG PHE A 428 8.330 11.219 -11.791 1.00 11.21 C ATOM 536 CD1 PHE A 428 8.836 11.356 -13.081 1.00 15.20 C ATOM 537 CD2 PHE A 428 7.425 10.194 -11.543 1.00 53.31 C ATOM 538 CE1 PHE A 428 8.456 10.476 -14.091 1.00 5.22 C ATOM 539 CE2 PHE A 428 7.038 9.324 -12.548 1.00 23.33 C ATOM 540 CZ PHE A 428 7.554 9.470 -13.825 1.00 53.55 C ATOM 0 H PHE A 428 9.715 10.015 -9.066 1.00 11.44 H new ATOM 0 HA PHE A 428 10.842 12.374 -10.360 1.00 5.14 H new ATOM 0 HB2 PHE A 428 7.819 12.267 -10.015 1.00 70.25 H new ATOM 0 HB3 PHE A 428 8.749 13.206 -11.166 1.00 70.25 H new ATOM 0 HD1 PHE A 428 9.531 12.153 -13.301 1.00 15.20 H new ATOM 0 HD2 PHE A 428 7.017 10.074 -10.550 1.00 53.31 H new ATOM 0 HE1 PHE A 428 8.869 10.582 -15.083 1.00 5.22 H new ATOM 0 HE2 PHE A 428 6.335 8.532 -12.336 1.00 23.33 H new ATOM 0 HZ PHE A 428 7.249 8.795 -14.611 1.00 53.55 H new ATOM 550 N GLY A 429 10.331 12.444 -7.317 1.00 30.40 N ATOM 551 CA GLY A 429 10.338 13.349 -6.157 1.00 1.32 C ATOM 552 C GLY A 429 10.086 12.613 -4.807 1.00 20.33 C ATOM 553 O GLY A 429 9.864 11.397 -4.834 1.00 53.23 O ATOM 0 H GLY A 429 10.738 11.524 -7.150 1.00 30.40 H new ATOM 0 HA2 GLY A 429 11.298 13.863 -6.110 1.00 1.32 H new ATOM 0 HA3 GLY A 429 9.574 14.114 -6.295 1.00 1.32 H new ATOM 557 N ASN A 430 10.114 13.312 -3.620 1.00 45.20 N ATOM 558 CA ASN A 430 10.218 12.604 -2.320 1.00 42.15 C ATOM 559 C ASN A 430 8.831 12.154 -1.750 1.00 51.40 C ATOM 560 O ASN A 430 7.844 12.895 -1.830 1.00 31.41 O ATOM 561 CB ASN A 430 11.039 13.426 -1.263 1.00 72.44 C ATOM 562 CG ASN A 430 10.390 14.702 -0.715 1.00 23.24 C ATOM 563 OD1 ASN A 430 9.638 15.399 -1.401 1.00 0.15 O ATOM 564 ND2 ASN A 430 10.711 15.019 0.554 1.00 42.03 N ATOM 0 H ASN A 430 10.067 14.329 -3.550 1.00 45.20 H new ATOM 0 HA ASN A 430 10.774 11.689 -2.527 1.00 42.15 H new ATOM 0 HB2 ASN A 430 11.259 12.770 -0.421 1.00 72.44 H new ATOM 0 HB3 ASN A 430 11.994 13.698 -1.713 1.00 72.44 H new ATOM 0 HD21 ASN A 430 10.328 15.862 0.981 1.00 42.03 H new ATOM 0 HD22 ASN A 430 11.337 14.416 1.088 1.00 42.03 H new ATOM 571 N VAL A 431 8.773 10.907 -1.203 1.00 44.33 N ATOM 572 CA VAL A 431 7.511 10.272 -0.716 1.00 31.42 C ATOM 573 C VAL A 431 7.445 10.161 0.862 1.00 75.42 C ATOM 574 O VAL A 431 8.461 9.859 1.498 1.00 64.02 O ATOM 575 CB VAL A 431 7.252 8.875 -1.441 1.00 65.40 C ATOM 576 CG1 VAL A 431 8.527 8.164 -1.842 1.00 15.24 C ATOM 577 CG2 VAL A 431 6.404 7.879 -0.620 1.00 71.25 C ATOM 0 H VAL A 431 9.595 10.315 -1.087 1.00 44.33 H new ATOM 0 HA VAL A 431 6.693 10.937 -0.992 1.00 31.42 H new ATOM 0 HB VAL A 431 6.692 9.169 -2.329 1.00 65.40 H new ATOM 0 HG11 VAL A 431 8.280 7.221 -2.330 1.00 15.24 H new ATOM 0 HG12 VAL A 431 9.092 8.792 -2.531 1.00 15.24 H new ATOM 0 HG13 VAL A 431 9.128 7.967 -0.954 1.00 15.24 H new ATOM 0 HG21 VAL A 431 6.276 6.957 -1.186 1.00 71.25 H new ATOM 0 HG22 VAL A 431 6.909 7.660 0.321 1.00 71.25 H new ATOM 0 HG23 VAL A 431 5.427 8.316 -0.414 1.00 71.25 H new ATOM 587 N ILE A 432 6.245 10.415 1.481 1.00 32.45 N ATOM 588 CA ILE A 432 6.079 10.422 2.981 1.00 32.35 C ATOM 589 C ILE A 432 5.262 9.192 3.563 1.00 53.04 C ATOM 590 O ILE A 432 5.316 8.943 4.771 1.00 62.30 O ATOM 591 CB ILE A 432 5.373 11.730 3.525 1.00 73.32 C ATOM 592 CG1 ILE A 432 5.481 12.891 2.556 1.00 22.40 C ATOM 593 CG2 ILE A 432 5.976 12.195 4.835 1.00 72.51 C ATOM 594 CD1 ILE A 432 4.687 14.132 2.981 1.00 3.33 C ATOM 0 H ILE A 432 5.385 10.616 0.971 1.00 32.45 H new ATOM 0 HA ILE A 432 7.112 10.365 3.325 1.00 32.35 H new ATOM 0 HB ILE A 432 4.329 11.449 3.660 1.00 73.32 H new ATOM 0 HG12 ILE A 432 6.531 13.163 2.447 1.00 22.40 H new ATOM 0 HG13 ILE A 432 5.132 12.567 1.576 1.00 22.40 H new ATOM 0 HG21 ILE A 432 5.462 13.095 5.173 1.00 72.51 H new ATOM 0 HG22 ILE A 432 5.866 11.411 5.585 1.00 72.51 H new ATOM 0 HG23 ILE A 432 7.034 12.414 4.691 1.00 72.51 H new ATOM 0 HD11 ILE A 432 4.815 14.918 2.237 1.00 3.33 H new ATOM 0 HD12 ILE A 432 3.630 13.878 3.062 1.00 3.33 H new ATOM 0 HD13 ILE A 432 5.051 14.484 3.946 1.00 3.33 H new ATOM 606 N SER A 433 4.520 8.438 2.716 1.00 41.33 N ATOM 607 CA SER A 433 3.581 7.355 3.155 1.00 10.42 C ATOM 608 C SER A 433 3.713 6.084 2.245 1.00 33.15 C ATOM 609 O SER A 433 3.582 6.182 1.017 1.00 1.03 O ATOM 610 CB SER A 433 2.112 7.961 3.130 1.00 43.05 C ATOM 611 OG SER A 433 2.037 9.141 3.925 1.00 42.31 O ATOM 0 H SER A 433 4.550 8.558 1.703 1.00 41.33 H new ATOM 0 HA SER A 433 3.824 7.022 4.164 1.00 10.42 H new ATOM 0 HB2 SER A 433 1.826 8.190 2.103 1.00 43.05 H new ATOM 0 HB3 SER A 433 1.402 7.221 3.501 1.00 43.05 H new ATOM 0 HG SER A 433 1.125 9.499 3.895 1.00 42.31 H new ATOM 617 N ALA A 434 3.983 4.894 2.885 1.00 24.42 N ATOM 618 CA ALA A 434 3.936 3.537 2.223 1.00 42.31 C ATOM 619 C ALA A 434 3.329 2.442 3.227 1.00 71.24 C ATOM 620 O ALA A 434 3.893 2.278 4.308 1.00 73.52 O ATOM 621 CB ALA A 434 5.362 3.077 1.802 1.00 72.42 C ATOM 0 H ALA A 434 4.239 4.848 3.871 1.00 24.42 H new ATOM 0 HA ALA A 434 3.303 3.626 1.340 1.00 42.31 H new ATOM 0 HB1 ALA A 434 5.303 2.097 1.328 1.00 72.42 H new ATOM 0 HB2 ALA A 434 5.784 3.796 1.099 1.00 72.42 H new ATOM 0 HB3 ALA A 434 6.000 3.015 2.684 1.00 72.42 H new ATOM 627 N LYS A 435 2.167 1.740 2.924 1.00 23.22 N ATOM 628 CA LYS A 435 1.686 0.554 3.717 1.00 14.43 C ATOM 629 C LYS A 435 0.738 -0.339 2.819 1.00 20.14 C ATOM 630 O LYS A 435 -0.098 0.229 2.104 1.00 42.45 O ATOM 631 CB LYS A 435 1.045 0.920 5.129 1.00 14.11 C ATOM 632 CG LYS A 435 -0.294 1.657 5.228 1.00 72.53 C ATOM 633 CD LYS A 435 -1.476 0.690 5.249 1.00 40.52 C ATOM 634 CE LYS A 435 -2.844 1.376 5.193 1.00 11.21 C ATOM 635 NZ LYS A 435 -3.068 2.380 6.274 1.00 3.33 N ATOM 0 H LYS A 435 1.559 1.981 2.141 1.00 23.22 H new ATOM 0 HA LYS A 435 2.566 -0.030 3.986 1.00 14.43 H new ATOM 0 HB2 LYS A 435 0.935 -0.014 5.680 1.00 14.11 H new ATOM 0 HB3 LYS A 435 1.779 1.521 5.665 1.00 14.11 H new ATOM 0 HG2 LYS A 435 -0.307 2.266 6.132 1.00 72.53 H new ATOM 0 HG3 LYS A 435 -0.397 2.338 4.383 1.00 72.53 H new ATOM 0 HD2 LYS A 435 -1.389 0.007 4.404 1.00 40.52 H new ATOM 0 HD3 LYS A 435 -1.421 0.085 6.154 1.00 40.52 H new ATOM 0 HE2 LYS A 435 -2.952 1.869 4.227 1.00 11.21 H new ATOM 0 HE3 LYS A 435 -3.622 0.615 5.252 1.00 11.21 H new ATOM 0 HZ1 LYS A 435 -4.014 2.799 6.168 1.00 3.33 H new ATOM 0 HZ2 LYS A 435 -2.998 1.914 7.201 1.00 3.33 H new ATOM 0 HZ3 LYS A 435 -2.348 3.128 6.208 1.00 3.33 H new ATOM 649 N VAL A 436 0.880 -1.715 2.806 1.00 74.32 N ATOM 650 CA VAL A 436 -0.160 -2.605 2.187 1.00 45.33 C ATOM 651 C VAL A 436 -0.962 -3.324 3.338 1.00 2.31 C ATOM 652 O VAL A 436 -0.619 -4.404 3.822 1.00 73.00 O ATOM 653 CB VAL A 436 0.502 -3.631 1.118 1.00 41.05 C ATOM 654 CG1 VAL A 436 -0.347 -4.865 0.724 1.00 32.50 C ATOM 655 CG2 VAL A 436 0.866 -2.966 -0.220 1.00 74.40 C ATOM 0 H VAL A 436 1.678 -2.210 3.204 1.00 74.32 H new ATOM 0 HA VAL A 436 -0.868 -2.012 1.608 1.00 45.33 H new ATOM 0 HB VAL A 436 1.375 -3.956 1.683 1.00 41.05 H new ATOM 0 HG11 VAL A 436 0.204 -5.471 0.005 1.00 32.50 H new ATOM 0 HG12 VAL A 436 -0.560 -5.459 1.613 1.00 32.50 H new ATOM 0 HG13 VAL A 436 -1.284 -4.534 0.276 1.00 32.50 H new ATOM 0 HG21 VAL A 436 1.304 -3.708 -0.888 1.00 74.40 H new ATOM 0 HG22 VAL A 436 -0.033 -2.552 -0.677 1.00 74.40 H new ATOM 0 HG23 VAL A 436 1.586 -2.166 -0.045 1.00 74.40 H new ATOM 665 N PHE A 437 -1.961 -2.581 3.858 1.00 54.31 N ATOM 666 CA PHE A 437 -3.149 -3.064 4.589 1.00 41.25 C ATOM 667 C PHE A 437 -4.454 -2.616 3.899 1.00 30.33 C ATOM 668 O PHE A 437 -4.453 -1.612 3.178 1.00 33.45 O ATOM 669 CB PHE A 437 -3.198 -2.611 6.062 1.00 71.21 C ATOM 670 CG PHE A 437 -2.445 -3.480 7.061 1.00 53.54 C ATOM 671 CD1 PHE A 437 -2.943 -4.728 7.485 1.00 23.02 C ATOM 672 CD2 PHE A 437 -1.242 -3.038 7.603 1.00 74.50 C ATOM 673 CE1 PHE A 437 -2.246 -5.490 8.416 1.00 52.33 C ATOM 674 CE2 PHE A 437 -0.552 -3.801 8.528 1.00 24.53 C ATOM 675 CZ PHE A 437 -1.054 -5.022 8.933 1.00 34.11 C ATOM 0 H PHE A 437 -1.959 -1.565 3.773 1.00 54.31 H new ATOM 0 HA PHE A 437 -3.062 -4.150 4.574 1.00 41.25 H new ATOM 0 HB2 PHE A 437 -2.800 -1.598 6.122 1.00 71.21 H new ATOM 0 HB3 PHE A 437 -4.242 -2.562 6.370 1.00 71.21 H new ATOM 0 HD1 PHE A 437 -3.875 -5.096 7.083 1.00 23.02 H new ATOM 0 HD2 PHE A 437 -0.840 -2.083 7.296 1.00 74.50 H new ATOM 0 HE1 PHE A 437 -2.636 -6.446 8.734 1.00 52.33 H new ATOM 0 HE2 PHE A 437 0.382 -3.441 8.934 1.00 24.53 H new ATOM 0 HZ PHE A 437 -0.512 -5.613 9.657 1.00 34.11 H new ATOM 866 N GLY A 449 -3.767 -0.123 -2.126 1.00 42.41 N ATOM 867 CA GLY A 449 -2.715 0.475 -1.245 1.00 15.41 C ATOM 868 C GLY A 449 -2.520 1.987 -1.318 1.00 10.04 C ATOM 869 O GLY A 449 -3.119 2.662 -2.153 1.00 0.24 O ATOM 0 HA2 GLY A 449 -2.950 0.214 -0.213 1.00 15.41 H new ATOM 0 HA3 GLY A 449 -1.764 -0.000 -1.485 1.00 15.41 H new ATOM 873 N PHE A 450 -1.657 2.512 -0.389 1.00 54.41 N ATOM 874 CA PHE A 450 -1.509 3.996 -0.156 1.00 5.31 C ATOM 875 C PHE A 450 -0.087 4.564 -0.624 1.00 20.01 C ATOM 876 O PHE A 450 0.919 4.120 -0.070 1.00 0.03 O ATOM 877 CB PHE A 450 -1.720 4.198 1.391 1.00 12.24 C ATOM 878 CG PHE A 450 -3.126 4.023 1.900 1.00 21.21 C ATOM 879 CD1 PHE A 450 -3.736 2.792 1.891 1.00 43.03 C ATOM 880 CD2 PHE A 450 -3.823 5.089 2.429 1.00 74.45 C ATOM 881 CE1 PHE A 450 -4.979 2.620 2.363 1.00 12.43 C ATOM 882 CE2 PHE A 450 -5.098 4.917 2.915 1.00 73.11 C ATOM 883 CZ PHE A 450 -5.675 3.675 2.882 1.00 61.20 C ATOM 0 H PHE A 450 -1.058 1.940 0.206 1.00 54.41 H new ATOM 0 HA PHE A 450 -2.236 4.550 -0.750 1.00 5.31 H new ATOM 0 HB2 PHE A 450 -1.075 3.496 1.919 1.00 12.24 H new ATOM 0 HB3 PHE A 450 -1.383 5.201 1.654 1.00 12.24 H new ATOM 0 HD1 PHE A 450 -3.201 1.942 1.494 1.00 43.03 H new ATOM 0 HD2 PHE A 450 -3.364 6.066 2.462 1.00 74.45 H new ATOM 0 HE1 PHE A 450 -5.433 1.641 2.333 1.00 12.43 H new ATOM 0 HE2 PHE A 450 -5.642 5.757 3.321 1.00 73.11 H new ATOM 0 HZ PHE A 450 -6.675 3.531 3.264 1.00 61.20 H new ATOM 893 N VAL A 451 0.025 5.515 -1.664 1.00 52.50 N ATOM 894 CA VAL A 451 1.316 6.284 -1.930 1.00 24.24 C ATOM 895 C VAL A 451 0.979 7.821 -1.938 1.00 24.22 C ATOM 896 O VAL A 451 0.121 8.233 -2.733 1.00 54.00 O ATOM 897 CB VAL A 451 2.010 5.971 -3.345 1.00 13.04 C ATOM 898 CG1 VAL A 451 3.530 5.834 -3.260 1.00 21.41 C ATOM 899 CG2 VAL A 451 1.401 4.800 -4.084 1.00 53.42 C ATOM 0 H VAL A 451 -0.738 5.750 -2.299 1.00 52.50 H new ATOM 0 HA VAL A 451 2.008 5.978 -1.146 1.00 24.24 H new ATOM 0 HB VAL A 451 1.798 6.859 -3.940 1.00 13.04 H new ATOM 0 HG11 VAL A 451 3.932 5.623 -4.251 1.00 21.41 H new ATOM 0 HG12 VAL A 451 3.959 6.763 -2.885 1.00 21.41 H new ATOM 0 HG13 VAL A 451 3.785 5.018 -2.584 1.00 21.41 H new ATOM 0 HG21 VAL A 451 1.925 4.654 -5.029 1.00 53.42 H new ATOM 0 HG22 VAL A 451 1.491 3.900 -3.476 1.00 53.42 H new ATOM 0 HG23 VAL A 451 0.348 5.002 -4.280 1.00 53.42 H new ATOM 909 N SER A 452 1.595 8.680 -1.073 1.00 43.41 N ATOM 910 CA SER A 452 1.321 10.116 -1.106 1.00 61.55 C ATOM 911 C SER A 452 2.665 10.972 -1.285 1.00 60.14 C ATOM 912 O SER A 452 3.718 10.553 -0.783 1.00 54.10 O ATOM 913 CB SER A 452 0.528 10.476 0.164 1.00 63.33 C ATOM 914 OG SER A 452 -0.783 9.945 0.098 1.00 51.31 O ATOM 0 H SER A 452 2.269 8.393 -0.364 1.00 43.41 H new ATOM 0 HA SER A 452 0.717 10.370 -1.977 1.00 61.55 H new ATOM 0 HB2 SER A 452 1.041 10.085 1.043 1.00 63.33 H new ATOM 0 HB3 SER A 452 0.483 11.559 0.277 1.00 63.33 H new ATOM 0 HG SER A 452 -1.273 10.181 0.913 1.00 51.31 H new ATOM 920 N TYR A 453 2.633 12.158 -2.004 1.00 42.43 N ATOM 921 CA TYR A 453 3.874 13.000 -2.333 1.00 45.11 C ATOM 922 C TYR A 453 3.841 14.424 -1.649 1.00 64.31 C ATOM 923 O TYR A 453 2.841 14.742 -1.007 1.00 22.34 O ATOM 924 CB TYR A 453 3.938 13.255 -3.847 1.00 2.05 C ATOM 925 CG TYR A 453 4.336 12.116 -4.783 1.00 51.25 C ATOM 926 CD1 TYR A 453 5.652 11.644 -4.944 1.00 23.31 C ATOM 927 CD2 TYR A 453 3.361 11.545 -5.569 1.00 25.12 C ATOM 928 CE1 TYR A 453 5.930 10.632 -5.851 1.00 63.51 C ATOM 929 CE2 TYR A 453 3.629 10.544 -6.460 1.00 10.24 C ATOM 930 CZ TYR A 453 4.910 10.086 -6.601 1.00 13.54 C ATOM 931 OH TYR A 453 5.175 9.085 -7.503 1.00 42.22 O ATOM 0 H TYR A 453 1.768 12.557 -2.369 1.00 42.43 H new ATOM 0 HA TYR A 453 4.731 12.436 -1.965 1.00 45.11 H new ATOM 0 HB2 TYR A 453 2.956 13.608 -4.161 1.00 2.05 H new ATOM 0 HB3 TYR A 453 4.639 14.074 -4.011 1.00 2.05 H new ATOM 0 HD1 TYR A 453 6.451 12.073 -4.357 1.00 23.31 H new ATOM 0 HD2 TYR A 453 2.346 11.902 -5.478 1.00 25.12 H new ATOM 0 HE1 TYR A 453 6.942 10.273 -5.969 1.00 63.51 H new ATOM 0 HE2 TYR A 453 2.832 10.116 -7.051 1.00 10.24 H new ATOM 0 HH TYR A 453 5.995 8.616 -7.240 1.00 42.22 H new ATOM 941 N ASP A 454 4.922 15.299 -1.795 1.00 22.14 N ATOM 942 CA ASP A 454 4.928 16.631 -1.127 1.00 24.33 C ATOM 943 C ASP A 454 4.204 17.807 -1.892 1.00 62.15 C ATOM 944 O ASP A 454 3.712 18.711 -1.213 1.00 44.13 O ATOM 945 CB ASP A 454 6.365 17.104 -0.729 1.00 54.20 C ATOM 946 CG ASP A 454 6.343 18.101 0.427 1.00 24.33 C ATOM 947 OD1 ASP A 454 6.210 17.655 1.589 1.00 61.01 O ATOM 948 OD2 ASP A 454 6.468 19.320 0.173 1.00 72.53 O ATOM 0 H ASP A 454 5.754 15.096 -2.349 1.00 22.14 H new ATOM 0 HA ASP A 454 4.330 16.430 -0.238 1.00 24.33 H new ATOM 0 HB2 ASP A 454 6.966 16.239 -0.449 1.00 54.20 H new ATOM 0 HB3 ASP A 454 6.847 17.562 -1.593 1.00 54.20 H new ATOM 953 N ASN A 455 4.066 17.838 -3.265 1.00 4.24 N ATOM 954 CA ASN A 455 3.415 19.020 -3.907 1.00 23.22 C ATOM 955 C ASN A 455 2.673 18.710 -5.225 1.00 2.41 C ATOM 956 O ASN A 455 3.176 17.853 -5.947 1.00 13.10 O ATOM 957 CB ASN A 455 4.338 20.276 -3.977 1.00 2.02 C ATOM 958 CG ASN A 455 5.686 20.184 -4.713 1.00 4.04 C ATOM 959 OD1 ASN A 455 6.111 21.157 -5.332 1.00 33.04 O ATOM 960 ND2 ASN A 455 6.380 19.072 -4.617 1.00 64.30 N ATOM 0 H ASN A 455 4.377 17.106 -3.904 1.00 4.24 H new ATOM 0 HA ASN A 455 2.614 19.294 -3.220 1.00 23.22 H new ATOM 0 HB2 ASN A 455 3.765 21.077 -4.444 1.00 2.02 H new ATOM 0 HB3 ASN A 455 4.545 20.587 -2.953 1.00 2.02 H new ATOM 0 HD21 ASN A 455 7.295 19.002 -5.062 1.00 64.30 H new ATOM 0 HD22 ASN A 455 6.004 18.279 -4.097 1.00 64.30 H new ATOM 967 N PRO A 456 1.421 19.342 -5.553 1.00 51.13 N ATOM 968 CA PRO A 456 0.589 18.931 -6.724 1.00 11.43 C ATOM 969 C PRO A 456 1.278 18.873 -8.162 1.00 61.45 C ATOM 970 O PRO A 456 0.676 18.292 -9.071 1.00 13.15 O ATOM 971 CB PRO A 456 -0.664 19.874 -6.685 1.00 62.35 C ATOM 972 CG PRO A 456 -0.349 20.937 -5.710 1.00 71.02 C ATOM 973 CD PRO A 456 0.578 20.285 -4.734 1.00 3.20 C ATOM 0 HA PRO A 456 0.350 17.874 -6.607 1.00 11.43 H new ATOM 0 HB2 PRO A 456 -0.864 20.296 -7.670 1.00 62.35 H new ATOM 0 HB3 PRO A 456 -1.556 19.324 -6.386 1.00 62.35 H new ATOM 0 HG2 PRO A 456 0.122 21.793 -6.194 1.00 71.02 H new ATOM 0 HG3 PRO A 456 -1.250 21.304 -5.218 1.00 71.02 H new ATOM 0 HD2 PRO A 456 1.197 21.024 -4.225 1.00 3.20 H new ATOM 0 HD3 PRO A 456 0.024 19.749 -3.964 1.00 3.20 H new ATOM 981 N VAL A 457 2.536 19.400 -8.361 1.00 64.21 N ATOM 982 CA VAL A 457 3.257 19.289 -9.682 1.00 74.05 C ATOM 983 C VAL A 457 3.789 17.825 -9.905 1.00 52.40 C ATOM 984 O VAL A 457 3.702 17.326 -11.035 1.00 41.35 O ATOM 985 CB VAL A 457 4.433 20.375 -9.895 1.00 34.00 C ATOM 986 CG1 VAL A 457 5.188 20.205 -11.236 1.00 72.03 C ATOM 987 CG2 VAL A 457 3.930 21.835 -9.886 1.00 52.25 C ATOM 0 H VAL A 457 3.061 19.895 -7.640 1.00 64.21 H new ATOM 0 HA VAL A 457 2.513 19.522 -10.443 1.00 74.05 H new ATOM 0 HB VAL A 457 5.092 20.185 -9.048 1.00 34.00 H new ATOM 0 HG11 VAL A 457 5.964 20.966 -11.315 1.00 72.03 H new ATOM 0 HG12 VAL A 457 5.644 19.216 -11.274 1.00 72.03 H new ATOM 0 HG13 VAL A 457 4.488 20.313 -12.064 1.00 72.03 H new ATOM 0 HG21 VAL A 457 4.772 22.511 -10.034 1.00 52.25 H new ATOM 0 HG22 VAL A 457 3.206 21.975 -10.689 1.00 52.25 H new ATOM 0 HG23 VAL A 457 3.456 22.051 -8.928 1.00 52.25 H new ATOM 997 N SER A 458 4.267 17.095 -8.840 1.00 70.53 N ATOM 998 CA SER A 458 4.798 15.704 -9.034 1.00 21.14 C ATOM 999 C SER A 458 3.691 14.620 -9.296 1.00 74.43 C ATOM 1000 O SER A 458 3.980 13.601 -9.938 1.00 33.14 O ATOM 1001 CB SER A 458 5.784 15.265 -7.893 1.00 4.12 C ATOM 1002 OG SER A 458 5.338 15.693 -6.619 1.00 20.53 O ATOM 0 H SER A 458 4.295 17.432 -7.878 1.00 70.53 H new ATOM 0 HA SER A 458 5.375 15.762 -9.957 1.00 21.14 H new ATOM 0 HB2 SER A 458 5.885 14.180 -7.897 1.00 4.12 H new ATOM 0 HB3 SER A 458 6.774 15.678 -8.089 1.00 4.12 H new ATOM 0 HG SER A 458 5.975 15.401 -5.934 1.00 20.53 H new ATOM 1008 N ALA A 459 2.433 14.846 -8.823 1.00 11.30 N ATOM 1009 CA ALA A 459 1.285 13.913 -9.080 1.00 14.21 C ATOM 1010 C ALA A 459 0.863 13.796 -10.566 1.00 24.23 C ATOM 1011 O ALA A 459 0.497 12.699 -10.991 1.00 21.32 O ATOM 1012 CB ALA A 459 0.048 14.172 -8.231 1.00 22.43 C ATOM 0 H ALA A 459 2.183 15.661 -8.263 1.00 11.30 H new ATOM 0 HA ALA A 459 1.712 12.958 -8.773 1.00 14.21 H new ATOM 0 HB1 ALA A 459 -0.727 13.449 -8.487 1.00 22.43 H new ATOM 0 HB2 ALA A 459 0.303 14.072 -7.176 1.00 22.43 H new ATOM 0 HB3 ALA A 459 -0.319 15.181 -8.421 1.00 22.43 H new ATOM 1018 N GLN A 460 0.900 14.910 -11.357 1.00 71.14 N ATOM 1019 CA GLN A 460 0.403 14.899 -12.758 1.00 1.41 C ATOM 1020 C GLN A 460 1.309 14.061 -13.682 1.00 25.33 C ATOM 1021 O GLN A 460 0.811 13.432 -14.617 1.00 25.12 O ATOM 1022 CB GLN A 460 0.181 16.322 -13.338 1.00 43.24 C ATOM 1023 CG GLN A 460 -0.889 17.148 -12.570 1.00 14.31 C ATOM 1024 CD GLN A 460 -2.124 16.349 -12.152 1.00 43.13 C ATOM 1025 OE1 GLN A 460 -3.071 16.207 -12.917 1.00 30.40 O ATOM 1026 NE2 GLN A 460 -2.141 15.879 -10.903 1.00 13.30 N ATOM 0 H GLN A 460 1.264 15.812 -11.049 1.00 71.14 H new ATOM 0 HA GLN A 460 -0.576 14.421 -12.720 1.00 1.41 H new ATOM 0 HB2 GLN A 460 1.127 16.864 -13.321 1.00 43.24 H new ATOM 0 HB3 GLN A 460 -0.119 16.237 -14.382 1.00 43.24 H new ATOM 0 HG2 GLN A 460 -0.429 17.576 -11.679 1.00 14.31 H new ATOM 0 HG3 GLN A 460 -1.206 17.982 -13.197 1.00 14.31 H new ATOM 0 HE21 GLN A 460 -1.333 16.017 -10.295 1.00 13.30 H new ATOM 0 HE22 GLN A 460 -2.962 15.382 -10.556 1.00 13.30 H new ATOM 1035 N ALA A 461 2.640 14.050 -13.418 1.00 32.32 N ATOM 1036 CA ALA A 461 3.572 13.176 -14.161 1.00 51.40 C ATOM 1037 C ALA A 461 3.420 11.661 -13.802 1.00 53.10 C ATOM 1038 O ALA A 461 3.594 10.829 -14.695 1.00 54.13 O ATOM 1039 CB ALA A 461 5.042 13.651 -14.053 1.00 75.44 C ATOM 0 H ALA A 461 3.084 14.629 -12.705 1.00 32.32 H new ATOM 0 HA ALA A 461 3.283 13.268 -15.208 1.00 51.40 H new ATOM 0 HB1 ALA A 461 5.685 12.975 -14.616 1.00 75.44 H new ATOM 0 HB2 ALA A 461 5.130 14.658 -14.460 1.00 75.44 H new ATOM 0 HB3 ALA A 461 5.347 13.655 -13.007 1.00 75.44 H new ATOM 1045 N ALA A 462 3.099 11.284 -12.524 1.00 44.40 N ATOM 1046 CA ALA A 462 2.856 9.859 -12.191 1.00 63.31 C ATOM 1047 C ALA A 462 1.582 9.272 -12.814 1.00 2.20 C ATOM 1048 O ALA A 462 1.627 8.126 -13.222 1.00 62.23 O ATOM 1049 CB ALA A 462 2.903 9.546 -10.683 1.00 72.14 C ATOM 0 H ALA A 462 3.007 11.929 -11.739 1.00 44.40 H new ATOM 0 HA ALA A 462 3.705 9.358 -12.656 1.00 63.31 H new ATOM 0 HB1 ALA A 462 2.715 8.484 -10.526 1.00 72.14 H new ATOM 0 HB2 ALA A 462 3.886 9.803 -10.288 1.00 72.14 H new ATOM 0 HB3 ALA A 462 2.141 10.129 -10.166 1.00 72.14 H new ATOM 1055 N ILE A 463 0.452 10.029 -12.910 1.00 23.41 N ATOM 1056 CA ILE A 463 -0.777 9.524 -13.531 1.00 13.34 C ATOM 1057 C ILE A 463 -0.528 9.096 -15.026 1.00 51.31 C ATOM 1058 O ILE A 463 -1.033 8.051 -15.402 1.00 12.10 O ATOM 1059 CB ILE A 463 -1.995 10.546 -13.317 1.00 74.34 C ATOM 1060 CG1 ILE A 463 -2.321 10.690 -11.759 1.00 33.31 C ATOM 1061 CG2 ILE A 463 -3.268 10.162 -14.117 1.00 71.53 C ATOM 1062 CD1 ILE A 463 -3.490 11.599 -11.351 1.00 22.54 C ATOM 0 H ILE A 463 0.381 10.985 -12.563 1.00 23.41 H new ATOM 0 HA ILE A 463 -1.083 8.608 -13.025 1.00 13.34 H new ATOM 0 HB ILE A 463 -1.673 11.510 -13.712 1.00 74.34 H new ATOM 0 HG12 ILE A 463 -2.519 9.693 -11.365 1.00 33.31 H new ATOM 0 HG13 ILE A 463 -1.423 11.056 -11.262 1.00 33.31 H new ATOM 0 HG21 ILE A 463 -4.052 10.895 -13.927 1.00 71.53 H new ATOM 0 HG22 ILE A 463 -3.037 10.146 -15.182 1.00 71.53 H new ATOM 0 HG23 ILE A 463 -3.610 9.175 -13.805 1.00 71.53 H new ATOM 0 HD11 ILE A 463 -3.590 11.597 -10.266 1.00 22.54 H new ATOM 0 HD12 ILE A 463 -3.299 12.615 -11.696 1.00 22.54 H new ATOM 0 HD13 ILE A 463 -4.412 11.230 -11.801 1.00 22.54 H new ATOM 1074 N GLN A 464 0.320 9.819 -15.843 1.00 13.33 N ATOM 1075 CA GLN A 464 0.742 9.292 -17.200 1.00 23.14 C ATOM 1076 C GLN A 464 1.546 7.928 -17.178 1.00 54.41 C ATOM 1077 O GLN A 464 1.138 6.983 -17.866 1.00 50.12 O ATOM 1078 CB GLN A 464 1.548 10.360 -18.037 1.00 23.54 C ATOM 1079 CG GLN A 464 0.760 11.224 -19.064 1.00 70.03 C ATOM 1080 CD GLN A 464 -0.550 11.917 -18.597 1.00 23.20 C ATOM 1081 OE1 GLN A 464 -1.630 11.336 -18.679 1.00 72.41 O ATOM 1082 NE2 GLN A 464 -0.452 13.178 -18.131 1.00 22.33 N ATOM 0 H GLN A 464 0.711 10.729 -15.601 1.00 13.33 H new ATOM 0 HA GLN A 464 -0.210 9.082 -17.687 1.00 23.14 H new ATOM 0 HB2 GLN A 464 2.036 11.036 -17.335 1.00 23.54 H new ATOM 0 HB3 GLN A 464 2.337 9.836 -18.576 1.00 23.54 H new ATOM 0 HG2 GLN A 464 1.433 11.999 -19.431 1.00 70.03 H new ATOM 0 HG3 GLN A 464 0.514 10.587 -19.914 1.00 70.03 H new ATOM 0 HE21 GLN A 464 0.460 13.632 -18.076 1.00 22.33 H new ATOM 0 HE22 GLN A 464 -1.290 13.678 -17.834 1.00 22.33 H new ATOM 1091 N ALA A 465 2.671 7.809 -16.422 1.00 32.33 N ATOM 1092 CA ALA A 465 3.529 6.551 -16.425 1.00 3.43 C ATOM 1093 C ALA A 465 2.958 5.357 -15.540 1.00 64.02 C ATOM 1094 O ALA A 465 3.575 4.290 -15.457 1.00 11.34 O ATOM 1095 CB ALA A 465 5.024 6.860 -16.073 1.00 65.40 C ATOM 0 H ALA A 465 3.016 8.545 -15.806 1.00 32.33 H new ATOM 0 HA ALA A 465 3.487 6.192 -17.453 1.00 3.43 H new ATOM 0 HB1 ALA A 465 5.600 5.935 -16.087 1.00 65.40 H new ATOM 0 HB2 ALA A 465 5.435 7.554 -16.807 1.00 65.40 H new ATOM 0 HB3 ALA A 465 5.079 7.307 -15.080 1.00 65.40 H new ATOM 1101 N MET A 466 1.789 5.567 -14.894 1.00 2.41 N ATOM 1102 CA MET A 466 1.127 4.624 -13.927 1.00 50.44 C ATOM 1103 C MET A 466 -0.302 4.229 -14.373 1.00 13.30 C ATOM 1104 O MET A 466 -0.841 3.260 -13.832 1.00 71.03 O ATOM 1105 CB MET A 466 1.091 5.156 -12.450 1.00 35.11 C ATOM 1106 CG MET A 466 2.382 4.996 -11.632 1.00 51.32 C ATOM 1107 SD MET A 466 3.807 5.905 -12.267 1.00 24.55 S ATOM 1108 CE MET A 466 5.018 5.581 -10.991 1.00 72.30 C ATOM 0 H MET A 466 1.251 6.424 -15.027 1.00 2.41 H new ATOM 0 HA MET A 466 1.759 3.736 -13.939 1.00 50.44 H new ATOM 0 HB2 MET A 466 0.832 6.214 -12.475 1.00 35.11 H new ATOM 0 HB3 MET A 466 0.287 4.643 -11.922 1.00 35.11 H new ATOM 0 HG2 MET A 466 2.189 5.321 -10.610 1.00 51.32 H new ATOM 0 HG3 MET A 466 2.637 3.937 -11.587 1.00 51.32 H new ATOM 0 HE1 MET A 466 5.954 6.079 -11.243 1.00 72.30 H new ATOM 0 HE2 MET A 466 4.651 5.960 -10.037 1.00 72.30 H new ATOM 0 HE3 MET A 466 5.187 4.507 -10.914 1.00 72.30 H new ATOM 1118 N ASN A 467 -0.963 4.942 -15.327 1.00 33.15 N ATOM 1119 CA ASN A 467 -2.184 4.391 -15.910 1.00 61.43 C ATOM 1120 C ASN A 467 -1.768 3.305 -16.989 1.00 53.44 C ATOM 1121 O ASN A 467 -0.913 3.594 -17.830 1.00 55.14 O ATOM 1122 CB ASN A 467 -3.198 5.470 -16.455 1.00 1.43 C ATOM 1123 CG ASN A 467 -2.723 6.582 -17.404 1.00 20.24 C ATOM 1124 OD1 ASN A 467 -3.288 7.679 -17.368 1.00 71.33 O ATOM 1125 ND2 ASN A 467 -1.768 6.348 -18.268 1.00 73.55 N ATOM 0 H ASN A 467 -0.677 5.854 -15.684 1.00 33.15 H new ATOM 0 HA ASN A 467 -2.760 3.914 -15.117 1.00 61.43 H new ATOM 0 HB2 ASN A 467 -3.996 4.931 -16.966 1.00 1.43 H new ATOM 0 HB3 ASN A 467 -3.645 5.957 -15.588 1.00 1.43 H new ATOM 0 HD21 ASN A 467 -1.482 7.077 -18.922 1.00 73.55 H new ATOM 0 HD22 ASN A 467 -1.309 5.437 -18.287 1.00 73.55 H new ATOM 1132 N GLY A 468 -2.315 2.062 -16.972 1.00 51.33 N ATOM 1133 CA GLY A 468 -1.886 1.047 -17.961 1.00 74.42 C ATOM 1134 C GLY A 468 -0.694 0.108 -17.635 1.00 24.41 C ATOM 1135 O GLY A 468 -0.197 -0.485 -18.591 1.00 44.22 O ATOM 0 H GLY A 468 -3.026 1.749 -16.311 1.00 51.33 H new ATOM 0 HA2 GLY A 468 -2.749 0.416 -18.174 1.00 74.42 H new ATOM 0 HA3 GLY A 468 -1.642 1.574 -18.883 1.00 74.42 H new ATOM 1139 N PHE A 469 -0.189 -0.055 -16.371 1.00 61.05 N ATOM 1140 CA PHE A 469 1.101 -0.812 -16.204 1.00 75.33 C ATOM 1141 C PHE A 469 0.780 -2.358 -16.261 1.00 53.14 C ATOM 1142 O PHE A 469 0.124 -2.879 -15.359 1.00 1.04 O ATOM 1143 CB PHE A 469 1.870 -0.414 -14.864 1.00 61.02 C ATOM 1144 CG PHE A 469 3.413 -0.401 -14.943 1.00 34.13 C ATOM 1145 CD1 PHE A 469 4.142 -1.548 -15.249 1.00 50.41 C ATOM 1146 CD2 PHE A 469 4.139 0.765 -14.684 1.00 22.13 C ATOM 1147 CE1 PHE A 469 5.534 -1.528 -15.298 1.00 64.32 C ATOM 1148 CE2 PHE A 469 5.527 0.775 -14.729 1.00 62.25 C ATOM 1149 CZ PHE A 469 6.213 -0.370 -15.036 1.00 12.53 C ATOM 0 H PHE A 469 -0.614 0.296 -15.513 1.00 61.05 H new ATOM 0 HA PHE A 469 1.779 -0.547 -17.016 1.00 75.33 H new ATOM 0 HB2 PHE A 469 1.534 0.576 -14.557 1.00 61.02 H new ATOM 0 HB3 PHE A 469 1.573 -1.109 -14.079 1.00 61.02 H new ATOM 0 HD1 PHE A 469 3.618 -2.470 -15.452 1.00 50.41 H new ATOM 0 HD2 PHE A 469 3.610 1.676 -14.444 1.00 22.13 H new ATOM 0 HE1 PHE A 469 6.078 -2.428 -15.543 1.00 64.32 H new ATOM 0 HE2 PHE A 469 6.066 1.687 -14.522 1.00 62.25 H new ATOM 0 HZ PHE A 469 7.292 -0.358 -15.071 1.00 12.53 H new ATOM 1159 N GLN A 470 1.204 -3.073 -17.348 1.00 4.20 N ATOM 1160 CA GLN A 470 0.808 -4.489 -17.595 1.00 21.10 C ATOM 1161 C GLN A 470 1.976 -5.493 -17.223 1.00 44.45 C ATOM 1162 O GLN A 470 3.059 -5.385 -17.791 1.00 61.40 O ATOM 1163 CB GLN A 470 0.429 -4.538 -19.123 1.00 41.13 C ATOM 1164 CG GLN A 470 -0.161 -5.844 -19.764 1.00 32.42 C ATOM 1165 CD GLN A 470 -1.679 -5.806 -19.949 1.00 32.31 C ATOM 1166 OE1 GLN A 470 -2.171 -5.260 -20.943 1.00 61.15 O ATOM 1167 NE2 GLN A 470 -2.437 -6.454 -19.057 1.00 51.24 N ATOM 0 H GLN A 470 1.820 -2.688 -18.064 1.00 4.20 H new ATOM 0 HA GLN A 470 -0.028 -4.802 -16.970 1.00 21.10 H new ATOM 0 HB2 GLN A 470 -0.293 -3.741 -19.300 1.00 41.13 H new ATOM 0 HB3 GLN A 470 1.328 -4.284 -19.684 1.00 41.13 H new ATOM 0 HG2 GLN A 470 0.310 -6.008 -20.733 1.00 32.42 H new ATOM 0 HG3 GLN A 470 0.098 -6.696 -19.136 1.00 32.42 H new ATOM 0 HE21 GLN A 470 -2.005 -6.896 -18.246 1.00 51.24 H new ATOM 0 HE22 GLN A 470 -3.447 -6.506 -19.188 1.00 51.24 H new ATOM 1176 N ILE A 471 1.760 -6.461 -16.254 1.00 44.54 N ATOM 1177 CA ILE A 471 2.858 -7.386 -15.717 1.00 74.24 C ATOM 1178 C ILE A 471 2.217 -8.780 -15.391 1.00 11.11 C ATOM 1179 O ILE A 471 1.669 -8.917 -14.289 1.00 63.33 O ATOM 1180 CB ILE A 471 3.503 -6.857 -14.342 1.00 51.20 C ATOM 1181 CG1 ILE A 471 3.457 -5.308 -14.287 1.00 50.33 C ATOM 1182 CG2 ILE A 471 4.939 -7.354 -14.110 1.00 32.33 C ATOM 1183 CD1 ILE A 471 4.009 -4.621 -13.034 1.00 3.15 C ATOM 0 H ILE A 471 0.848 -6.625 -15.829 1.00 44.54 H new ATOM 0 HA ILE A 471 3.634 -7.433 -16.481 1.00 74.24 H new ATOM 0 HB ILE A 471 2.897 -7.274 -13.538 1.00 51.20 H new ATOM 0 HG12 ILE A 471 4.006 -4.926 -15.148 1.00 50.33 H new ATOM 0 HG13 ILE A 471 2.419 -4.999 -14.408 1.00 50.33 H new ATOM 0 HG21 ILE A 471 5.312 -6.959 -13.165 1.00 32.33 H new ATOM 0 HG22 ILE A 471 4.946 -8.443 -14.077 1.00 32.33 H new ATOM 0 HG23 ILE A 471 5.578 -7.012 -14.924 1.00 32.33 H new ATOM 0 HD11 ILE A 471 3.911 -3.540 -13.138 1.00 3.15 H new ATOM 0 HD12 ILE A 471 3.449 -4.954 -12.160 1.00 3.15 H new ATOM 0 HD13 ILE A 471 5.061 -4.879 -12.911 1.00 3.15 H new ATOM 1195 N GLY A 472 2.224 -9.807 -16.305 1.00 34.42 N ATOM 1196 CA GLY A 472 1.521 -11.066 -15.994 1.00 30.14 C ATOM 1197 C GLY A 472 -0.033 -10.931 -16.118 1.00 30.33 C ATOM 1198 O GLY A 472 -0.515 -10.119 -16.915 1.00 51.05 O ATOM 0 H GLY A 472 2.688 -9.778 -17.213 1.00 34.42 H new ATOM 0 HA2 GLY A 472 1.869 -11.849 -16.668 1.00 30.14 H new ATOM 0 HA3 GLY A 472 1.776 -11.380 -14.982 1.00 30.14 H new ATOM 1202 N MET A 473 -0.813 -11.694 -15.314 1.00 63.10 N ATOM 1203 CA MET A 473 -2.332 -11.667 -15.383 1.00 25.11 C ATOM 1204 C MET A 473 -3.016 -10.529 -14.538 1.00 42.51 C ATOM 1205 O MET A 473 -4.168 -10.687 -14.132 1.00 74.34 O ATOM 1206 CB MET A 473 -2.923 -13.105 -15.082 1.00 2.04 C ATOM 1207 CG MET A 473 -2.794 -13.697 -13.660 1.00 44.32 C ATOM 1208 SD MET A 473 -3.400 -15.395 -13.585 1.00 74.54 S ATOM 1209 CE MET A 473 -2.819 -15.916 -11.967 1.00 3.42 C ATOM 0 H MET A 473 -0.441 -12.334 -14.612 1.00 63.10 H new ATOM 0 HA MET A 473 -2.586 -11.398 -16.408 1.00 25.11 H new ATOM 0 HB2 MET A 473 -3.984 -13.081 -15.331 1.00 2.04 H new ATOM 0 HB3 MET A 473 -2.449 -13.804 -15.771 1.00 2.04 H new ATOM 0 HG2 MET A 473 -1.750 -13.669 -13.348 1.00 44.32 H new ATOM 0 HG3 MET A 473 -3.353 -13.080 -12.957 1.00 44.32 H new ATOM 0 HE1 MET A 473 -3.122 -16.947 -11.786 1.00 3.42 H new ATOM 0 HE2 MET A 473 -1.732 -15.846 -11.931 1.00 3.42 H new ATOM 0 HE3 MET A 473 -3.250 -15.272 -11.201 1.00 3.42 H new ATOM 1219 N LYS A 474 -2.336 -9.353 -14.331 1.00 20.41 N ATOM 1220 CA LYS A 474 -2.963 -8.170 -13.690 1.00 73.33 C ATOM 1221 C LYS A 474 -2.513 -6.830 -14.372 1.00 1.14 C ATOM 1222 O LYS A 474 -1.371 -6.731 -14.829 1.00 42.42 O ATOM 1223 CB LYS A 474 -2.686 -8.082 -12.163 1.00 24.01 C ATOM 1224 CG LYS A 474 -3.720 -8.893 -11.282 1.00 4.33 C ATOM 1225 CD LYS A 474 -3.863 -8.418 -9.823 1.00 64.31 C ATOM 1226 CE LYS A 474 -5.017 -9.101 -9.072 1.00 41.35 C ATOM 1227 NZ LYS A 474 -4.827 -9.009 -7.595 1.00 45.11 N ATOM 0 H LYS A 474 -1.362 -9.211 -14.600 1.00 20.41 H new ATOM 0 HA LYS A 474 -4.035 -8.307 -13.830 1.00 73.33 H new ATOM 0 HB2 LYS A 474 -1.681 -8.454 -11.963 1.00 24.01 H new ATOM 0 HB3 LYS A 474 -2.705 -7.035 -11.859 1.00 24.01 H new ATOM 0 HG2 LYS A 474 -4.698 -8.841 -11.760 1.00 4.33 H new ATOM 0 HG3 LYS A 474 -3.423 -9.942 -11.277 1.00 4.33 H new ATOM 0 HD2 LYS A 474 -2.930 -8.609 -9.293 1.00 64.31 H new ATOM 0 HD3 LYS A 474 -4.020 -7.339 -9.813 1.00 64.31 H new ATOM 0 HE2 LYS A 474 -5.962 -8.634 -9.350 1.00 41.35 H new ATOM 0 HE3 LYS A 474 -5.079 -10.148 -9.369 1.00 41.35 H new ATOM 0 HZ1 LYS A 474 -5.620 -9.478 -7.113 1.00 45.11 H new ATOM 0 HZ2 LYS A 474 -3.936 -9.476 -7.330 1.00 45.11 H new ATOM 0 HZ3 LYS A 474 -4.792 -8.009 -7.311 1.00 45.11 H new ATOM 1241 N ARG A 475 -3.418 -5.815 -14.458 1.00 70.14 N ATOM 1242 CA ARG A 475 -3.020 -4.406 -14.742 1.00 5.11 C ATOM 1243 C ARG A 475 -2.974 -3.554 -13.412 1.00 45.01 C ATOM 1244 O ARG A 475 -3.774 -3.810 -12.514 1.00 71.14 O ATOM 1245 CB ARG A 475 -4.035 -3.622 -15.675 1.00 52.42 C ATOM 1246 CG ARG A 475 -4.074 -3.908 -17.164 1.00 44.45 C ATOM 1247 CD ARG A 475 -3.393 -2.757 -17.936 1.00 11.45 C ATOM 1248 NE ARG A 475 -3.414 -2.953 -19.389 1.00 62.40 N ATOM 1249 CZ ARG A 475 -4.303 -2.376 -20.224 1.00 41.04 C ATOM 1250 NH1 ARG A 475 -5.259 -1.571 -19.765 1.00 43.44 N ATOM 1251 NH2 ARG A 475 -4.202 -2.610 -21.531 1.00 50.31 N ATOM 0 H ARG A 475 -4.422 -5.945 -14.336 1.00 70.14 H new ATOM 0 HA ARG A 475 -2.051 -4.504 -15.232 1.00 5.11 H new ATOM 0 HB2 ARG A 475 -5.037 -3.800 -15.285 1.00 52.42 H new ATOM 0 HB3 ARG A 475 -3.830 -2.558 -15.555 1.00 52.42 H new ATOM 0 HG2 ARG A 475 -3.568 -4.850 -17.376 1.00 44.45 H new ATOM 0 HG3 ARG A 475 -5.106 -4.019 -17.495 1.00 44.45 H new ATOM 0 HD2 ARG A 475 -3.892 -1.819 -17.694 1.00 11.45 H new ATOM 0 HD3 ARG A 475 -2.360 -2.664 -17.602 1.00 11.45 H new ATOM 0 HE ARG A 475 -2.709 -3.567 -19.796 1.00 62.40 H new ATOM 0 HH11 ARG A 475 -5.329 -1.381 -18.765 1.00 43.44 H new ATOM 0 HH12 ARG A 475 -5.921 -1.145 -20.413 1.00 43.44 H new ATOM 0 HH21 ARG A 475 -3.462 -3.216 -21.885 1.00 50.31 H new ATOM 0 HH22 ARG A 475 -4.865 -2.183 -22.178 1.00 50.31 H new ATOM 1265 N LEU A 476 -2.048 -2.558 -13.290 1.00 62.34 N ATOM 1266 CA LEU A 476 -2.193 -1.420 -12.312 1.00 13.31 C ATOM 1267 C LEU A 476 -3.348 -0.415 -12.779 1.00 53.42 C ATOM 1268 O LEU A 476 -3.326 -0.011 -13.946 1.00 54.52 O ATOM 1269 CB LEU A 476 -0.844 -0.591 -12.222 1.00 71.03 C ATOM 1270 CG LEU A 476 -0.556 0.237 -10.948 1.00 0.21 C ATOM 1271 CD1 LEU A 476 0.214 -0.553 -9.880 1.00 25.43 C ATOM 1272 CD2 LEU A 476 0.245 1.491 -11.264 1.00 0.25 C ATOM 0 H LEU A 476 -1.196 -2.514 -13.850 1.00 62.34 H new ATOM 0 HA LEU A 476 -2.440 -1.854 -11.343 1.00 13.31 H new ATOM 0 HB2 LEU A 476 -0.019 -1.291 -12.353 1.00 71.03 H new ATOM 0 HB3 LEU A 476 -0.821 0.092 -13.071 1.00 71.03 H new ATOM 0 HG LEU A 476 -1.538 0.500 -10.556 1.00 0.21 H new ATOM 0 HD11 LEU A 476 0.386 0.082 -9.011 1.00 25.43 H new ATOM 0 HD12 LEU A 476 -0.368 -1.425 -9.583 1.00 25.43 H new ATOM 0 HD13 LEU A 476 1.172 -0.877 -10.287 1.00 25.43 H new ATOM 0 HD21 LEU A 476 0.428 2.047 -10.345 1.00 0.25 H new ATOM 0 HD22 LEU A 476 1.197 1.211 -11.714 1.00 0.25 H new ATOM 0 HD23 LEU A 476 -0.316 2.115 -11.960 1.00 0.25 H new ATOM 1284 N LYS A 477 -4.349 -0.006 -11.912 1.00 73.45 N ATOM 1285 CA LYS A 477 -5.320 1.124 -12.292 1.00 44.11 C ATOM 1286 C LYS A 477 -5.311 2.234 -11.150 1.00 11.24 C ATOM 1287 O LYS A 477 -5.716 1.930 -10.027 1.00 2.12 O ATOM 1288 CB LYS A 477 -6.783 0.574 -12.664 1.00 63.32 C ATOM 1289 CG LYS A 477 -7.975 1.572 -13.120 1.00 25.41 C ATOM 1290 CD LYS A 477 -7.555 2.817 -13.947 1.00 53.41 C ATOM 1291 CE LYS A 477 -8.759 3.743 -14.343 1.00 4.15 C ATOM 1292 NZ LYS A 477 -8.293 5.062 -14.867 1.00 12.41 N ATOM 0 H LYS A 477 -4.509 -0.411 -10.990 1.00 73.45 H new ATOM 0 HA LYS A 477 -4.977 1.601 -13.210 1.00 44.11 H new ATOM 0 HB2 LYS A 477 -6.653 -0.151 -13.467 1.00 63.32 H new ATOM 0 HB3 LYS A 477 -7.145 0.025 -11.794 1.00 63.32 H new ATOM 0 HG2 LYS A 477 -8.694 1.000 -13.706 1.00 25.41 H new ATOM 0 HG3 LYS A 477 -8.494 1.916 -12.225 1.00 25.41 H new ATOM 0 HD2 LYS A 477 -6.834 3.398 -13.372 1.00 53.41 H new ATOM 0 HD3 LYS A 477 -7.048 2.487 -14.854 1.00 53.41 H new ATOM 0 HE2 LYS A 477 -9.367 3.246 -15.099 1.00 4.15 H new ATOM 0 HE3 LYS A 477 -9.397 3.902 -13.474 1.00 4.15 H new ATOM 0 HZ1 LYS A 477 -9.116 5.646 -15.118 1.00 12.41 H new ATOM 0 HZ2 LYS A 477 -7.733 5.547 -14.137 1.00 12.41 H new ATOM 0 HZ3 LYS A 477 -7.705 4.912 -15.711 1.00 12.41 H new ATOM 1306 N VAL A 478 -4.834 3.518 -11.428 1.00 25.21 N ATOM 1307 CA VAL A 478 -4.594 4.550 -10.386 1.00 65.31 C ATOM 1308 C VAL A 478 -5.878 5.447 -10.211 1.00 50.23 C ATOM 1309 O VAL A 478 -6.439 5.891 -11.223 1.00 50.34 O ATOM 1310 CB VAL A 478 -3.278 5.433 -10.767 1.00 12.33 C ATOM 1311 CG1 VAL A 478 -3.371 6.963 -10.629 1.00 35.45 C ATOM 1312 CG2 VAL A 478 -2.037 5.033 -9.978 1.00 50.13 C ATOM 0 H VAL A 478 -4.617 3.836 -12.372 1.00 25.21 H new ATOM 0 HA VAL A 478 -4.398 4.066 -9.429 1.00 65.31 H new ATOM 0 HB VAL A 478 -3.210 5.193 -11.828 1.00 12.33 H new ATOM 0 HG11 VAL A 478 -2.421 7.413 -10.917 1.00 35.45 H new ATOM 0 HG12 VAL A 478 -4.162 7.339 -11.278 1.00 35.45 H new ATOM 0 HG13 VAL A 478 -3.596 7.222 -9.594 1.00 35.45 H new ATOM 0 HG21 VAL A 478 -1.197 5.659 -10.279 1.00 50.13 H new ATOM 0 HG22 VAL A 478 -2.225 5.166 -8.913 1.00 50.13 H new ATOM 0 HG23 VAL A 478 -1.800 3.988 -10.177 1.00 50.13 H new ATOM 1322 N GLN A 479 -6.390 5.672 -8.956 1.00 34.43 N ATOM 1323 CA GLN A 479 -7.500 6.606 -8.731 1.00 34.53 C ATOM 1324 C GLN A 479 -7.118 7.640 -7.619 1.00 41.34 C ATOM 1325 O GLN A 479 -6.723 7.220 -6.528 1.00 53.23 O ATOM 1326 CB GLN A 479 -8.827 5.833 -8.341 1.00 55.04 C ATOM 1327 CG GLN A 479 -8.679 4.693 -7.300 1.00 71.35 C ATOM 1328 CD GLN A 479 -9.792 4.689 -6.254 1.00 64.13 C ATOM 1329 OE1 GLN A 479 -9.712 5.406 -5.259 1.00 75.33 O ATOM 1330 NE2 GLN A 479 -10.819 3.866 -6.446 1.00 12.24 N ATOM 0 H GLN A 479 -6.044 5.218 -8.111 1.00 34.43 H new ATOM 0 HA GLN A 479 -7.688 7.143 -9.661 1.00 34.53 H new ATOM 0 HB2 GLN A 479 -9.544 6.558 -7.955 1.00 55.04 H new ATOM 0 HB3 GLN A 479 -9.257 5.412 -9.250 1.00 55.04 H new ATOM 0 HG2 GLN A 479 -8.672 3.734 -7.818 1.00 71.35 H new ATOM 0 HG3 GLN A 479 -7.717 4.790 -6.798 1.00 71.35 H new ATOM 0 HE21 GLN A 479 -10.856 3.284 -7.282 1.00 12.24 H new ATOM 0 HE22 GLN A 479 -11.569 3.817 -5.757 1.00 12.24 H new