USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1022 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 451 GLN :FLIP amide:sc= 0 F(o=-1.9,f=-1.3) USER MOD Set 1.2: A 497 CYS SG : rot -123:sc= -1.02 USER MOD Set 1.3: A 499 HIS :FLIP no HE2:sc= -0.276 F(o=-2.6,f=-1.3) USER MOD Single : A 398 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0239) USER MOD Single : A 403 SER OG : rot 44:sc= 0.138 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot -16:sc= -2.21! USER MOD Single : A 430 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 435 HIS :FLIP no HD1:sc= -1.87 F(o=-2.5!,f=-1.9) USER MOD Single : A 438 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot -151:sc= 1.29 USER MOD Single : A 443 GLN : amide:sc= -0.869 K(o=-0.87,f=-5.3!) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ -152:sc= 1.21 (180deg=1.2) USER MOD Single : A 450 MET CE :methyl -169:sc= -0.164 (180deg=-0.373) USER MOD Single : A 455 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.69) USER MOD Single : A 456 GLN : amide:sc=-0.00635 X(o=-0.0063,f=-0.0063) USER MOD Single : A 459 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 460 THR OG1 : rot 180:sc=0.000703 USER MOD Single : A 467 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 468 SER OG : rot -150:sc= -0.63 USER MOD Single : A 470 MET CE :methyl 145:sc= -0.515 (180deg=-2.44!) USER MOD Single : A 472 GLN : amide:sc= -0.0512 K(o=-0.051,f=-1) USER MOD Single : A 474 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.0053) USER MOD Single : A 482 SER OG : rot 180:sc= 0 USER MOD Single : A 484 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0571) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 MET CE :methyl 140:sc= -0.0724 (180deg=-0.768) USER MOD Single : A 492 ASN : amide:sc= -0.0562 X(o=-0.056,f=-0.11) USER MOD Single : A 512 MET CE :methyl 144:sc=-0.00474 (180deg=-3.16) USER MOD Single : A 515 TYR OH : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot -45:sc= 0.158 USER MOD Single : A 518 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0369) USER MOD Single : A 519 LYS NZ :NH3+ -162:sc= -0.0626 (180deg=-0.342) USER MOD Single : A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 MET CE :methyl 161:sc= -0.108 (180deg=-0.573) USER MOD Single : A 528 TYR OH : rot 130:sc= 0.957 USER MOD Single : A 530 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 531 SER OG : rot -15:sc= 1.12 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 539 GLN :FLIP amide:sc=-0.00773 F(o=-1.6!,f=-0.0077) USER MOD Single : A 542 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 543 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 72 N LYS A 398 18.313 3.146 3.787 1.00 0.00 N ATOM 73 CA LYS A 398 17.281 2.688 2.918 1.00 0.00 C ATOM 74 C LYS A 398 17.905 2.425 1.554 1.00 0.00 C ATOM 75 O LYS A 398 18.868 3.101 1.178 1.00 0.00 O ATOM 76 CB LYS A 398 16.059 3.663 2.907 1.00 0.00 C ATOM 77 CG LYS A 398 16.384 5.135 2.659 1.00 0.00 C ATOM 78 CD LYS A 398 16.693 5.412 1.213 1.00 0.00 C ATOM 79 CE LYS A 398 17.297 6.770 1.037 1.00 0.00 C ATOM 80 NZ LYS A 398 16.409 7.868 1.476 1.00 0.00 N ATOM 0 HA LYS A 398 16.853 1.751 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 398 15.360 3.331 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 398 15.544 3.581 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 398 15.540 5.750 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 398 17.236 5.426 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 398 17.379 4.655 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 398 15.779 5.339 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 398 18.230 6.820 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 398 17.549 6.914 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 398 16.842 8.782 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 398 15.490 7.783 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 398 16.270 7.812 2.505 1.00 0.00 H new ATOM 94 N LEU A 399 17.446 1.422 0.878 1.00 0.00 N ATOM 95 CA LEU A 399 17.992 1.046 -0.417 1.00 0.00 C ATOM 96 C LEU A 399 16.977 1.398 -1.496 1.00 0.00 C ATOM 97 O LEU A 399 15.798 1.162 -1.305 1.00 0.00 O ATOM 98 CB LEU A 399 18.274 -0.489 -0.483 1.00 0.00 C ATOM 99 CG LEU A 399 19.169 -1.146 0.594 1.00 0.00 C ATOM 100 CD1 LEU A 399 18.429 -1.340 1.900 1.00 0.00 C ATOM 101 CD2 LEU A 399 19.711 -2.468 0.096 1.00 0.00 C ATOM 0 H LEU A 399 16.680 0.829 1.196 1.00 0.00 H new ATOM 0 HA LEU A 399 18.929 1.582 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 399 17.311 -0.999 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 399 18.725 -0.697 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 399 20.001 -0.469 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 399 19.093 -1.804 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 399 18.096 -0.373 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 399 17.564 -1.983 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 399 20.339 -2.917 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 399 18.882 -3.138 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 399 20.303 -2.303 -0.804 1.00 0.00 H new ATOM 113 N LEU A 400 17.413 1.977 -2.601 1.00 0.00 N ATOM 114 CA LEU A 400 16.505 2.287 -3.708 1.00 0.00 C ATOM 115 C LEU A 400 16.067 0.994 -4.370 1.00 0.00 C ATOM 116 O LEU A 400 16.893 0.233 -4.879 1.00 0.00 O ATOM 117 CB LEU A 400 17.168 3.220 -4.732 1.00 0.00 C ATOM 118 CG LEU A 400 16.335 3.563 -5.983 1.00 0.00 C ATOM 119 CD1 LEU A 400 15.036 4.274 -5.618 1.00 0.00 C ATOM 120 CD2 LEU A 400 17.149 4.405 -6.946 1.00 0.00 C ATOM 0 H LEU A 400 18.384 2.244 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 400 15.634 2.808 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 400 17.428 4.151 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 400 18.102 2.762 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 400 16.070 2.625 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 400 14.477 4.499 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 400 14.437 3.630 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 400 15.264 5.202 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 400 16.547 4.639 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 400 17.450 5.331 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 400 18.037 3.852 -7.252 1.00 0.00 H new ATOM 132 N ALA A 401 14.793 0.733 -4.352 1.00 0.00 N ATOM 133 CA ALA A 401 14.302 -0.518 -4.854 1.00 0.00 C ATOM 134 C ALA A 401 13.489 -0.359 -6.114 1.00 0.00 C ATOM 135 O ALA A 401 13.745 -1.035 -7.114 1.00 0.00 O ATOM 136 CB ALA A 401 13.485 -1.212 -3.791 1.00 0.00 C ATOM 0 H ALA A 401 14.077 1.366 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 401 15.169 -1.126 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 401 13.115 -2.161 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 401 14.108 -1.395 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 401 12.642 -0.581 -3.511 1.00 0.00 H new ATOM 142 N TRP A 402 12.521 0.523 -6.086 1.00 0.00 N ATOM 143 CA TRP A 402 11.597 0.635 -7.189 1.00 0.00 C ATOM 144 C TRP A 402 10.996 2.027 -7.238 1.00 0.00 C ATOM 145 O TRP A 402 10.883 2.694 -6.226 1.00 0.00 O ATOM 146 CB TRP A 402 10.511 -0.453 -7.018 1.00 0.00 C ATOM 147 CG TRP A 402 9.399 -0.460 -8.019 1.00 0.00 C ATOM 148 CD1 TRP A 402 9.422 -0.951 -9.291 1.00 0.00 C ATOM 149 CD2 TRP A 402 8.082 0.011 -7.796 1.00 0.00 C ATOM 150 NE1 TRP A 402 8.190 -0.782 -9.875 1.00 0.00 N ATOM 151 CE2 TRP A 402 7.350 -0.195 -8.966 1.00 0.00 C ATOM 152 CE3 TRP A 402 7.460 0.592 -6.710 1.00 0.00 C ATOM 153 CZ2 TRP A 402 6.016 0.170 -9.072 1.00 0.00 C ATOM 154 CZ3 TRP A 402 6.146 0.953 -6.809 1.00 0.00 C ATOM 155 CH2 TRP A 402 5.431 0.740 -7.984 1.00 0.00 C ATOM 0 H TRP A 402 12.352 1.171 -5.317 1.00 0.00 H new ATOM 0 HA TRP A 402 12.112 0.481 -8.137 1.00 0.00 H new ATOM 0 HB2 TRP A 402 10.999 -1.427 -7.046 1.00 0.00 H new ATOM 0 HB3 TRP A 402 10.074 -0.344 -6.026 1.00 0.00 H new ATOM 0 HD1 TRP A 402 10.279 -1.404 -9.767 1.00 0.00 H new ATOM 0 HE1 TRP A 402 7.942 -1.049 -10.828 1.00 0.00 H new ATOM 0 HE3 TRP A 402 8.005 0.759 -5.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 5.462 0.008 -9.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 5.655 1.410 -5.963 1.00 0.00 H new ATOM 0 HH2 TRP A 402 4.393 1.033 -8.033 1.00 0.00 H new ATOM 166 N SER A 403 10.680 2.470 -8.405 1.00 0.00 N ATOM 167 CA SER A 403 10.043 3.732 -8.600 1.00 0.00 C ATOM 168 C SER A 403 8.844 3.522 -9.511 1.00 0.00 C ATOM 169 O SER A 403 9.001 3.086 -10.658 1.00 0.00 O ATOM 170 CB SER A 403 11.058 4.714 -9.191 1.00 0.00 C ATOM 171 OG SER A 403 11.748 4.125 -10.288 1.00 0.00 O ATOM 0 H SER A 403 10.859 1.958 -9.269 1.00 0.00 H new ATOM 0 HA SER A 403 9.688 4.154 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 403 10.547 5.619 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 403 11.772 5.012 -8.424 1.00 0.00 H new ATOM 0 HG SER A 403 11.108 3.654 -10.862 1.00 0.00 H new ATOM 177 N GLY A 404 7.663 3.794 -9.014 1.00 0.00 N ATOM 178 CA GLY A 404 6.487 3.532 -9.789 1.00 0.00 C ATOM 179 C GLY A 404 5.301 4.318 -9.319 1.00 0.00 C ATOM 180 O GLY A 404 5.420 5.188 -8.439 1.00 0.00 O ATOM 0 H GLY A 404 7.496 4.191 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 404 6.685 3.770 -10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 404 6.255 2.468 -9.742 1.00 0.00 H new ATOM 184 N VAL A 405 4.169 4.013 -9.883 1.00 0.00 N ATOM 185 CA VAL A 405 2.951 4.724 -9.610 1.00 0.00 C ATOM 186 C VAL A 405 1.975 3.815 -8.857 1.00 0.00 C ATOM 187 O VAL A 405 1.802 2.638 -9.201 1.00 0.00 O ATOM 188 CB VAL A 405 2.299 5.212 -10.945 1.00 0.00 C ATOM 189 CG1 VAL A 405 1.020 5.991 -10.700 1.00 0.00 C ATOM 190 CG2 VAL A 405 3.278 6.050 -11.762 1.00 0.00 C ATOM 0 H VAL A 405 4.063 3.253 -10.555 1.00 0.00 H new ATOM 0 HA VAL A 405 3.182 5.592 -8.993 1.00 0.00 H new ATOM 0 HB VAL A 405 2.042 4.319 -11.516 1.00 0.00 H new ATOM 0 HG11 VAL A 405 0.600 6.311 -11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 405 0.301 5.356 -10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 405 1.239 6.866 -10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 405 2.797 6.375 -12.684 1.00 0.00 H new ATOM 0 HG22 VAL A 405 3.581 6.923 -11.183 1.00 0.00 H new ATOM 0 HG23 VAL A 405 4.157 5.451 -12.003 1.00 0.00 H new ATOM 200 N LEU A 406 1.338 4.353 -7.853 1.00 0.00 N ATOM 201 CA LEU A 406 0.354 3.615 -7.092 1.00 0.00 C ATOM 202 C LEU A 406 -0.983 4.215 -7.321 1.00 0.00 C ATOM 203 O LEU A 406 -1.116 5.436 -7.405 1.00 0.00 O ATOM 204 CB LEU A 406 0.652 3.605 -5.585 1.00 0.00 C ATOM 205 CG LEU A 406 1.537 2.477 -5.052 1.00 0.00 C ATOM 206 CD1 LEU A 406 2.924 2.495 -5.661 1.00 0.00 C ATOM 207 CD2 LEU A 406 1.604 2.541 -3.541 1.00 0.00 C ATOM 0 H LEU A 406 1.482 5.312 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 406 0.385 2.581 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 406 1.124 4.554 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -0.299 3.567 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 406 1.082 1.532 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 406 3.513 1.675 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 406 2.848 2.381 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 406 3.411 3.442 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 406 2.236 1.734 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 406 2.023 3.500 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 406 0.601 2.435 -3.128 1.00 0.00 H new ATOM 219 N GLU A 407 -1.956 3.375 -7.464 1.00 0.00 N ATOM 220 CA GLU A 407 -3.284 3.798 -7.722 1.00 0.00 C ATOM 221 C GLU A 407 -4.144 3.383 -6.550 1.00 0.00 C ATOM 222 O GLU A 407 -4.136 2.207 -6.143 1.00 0.00 O ATOM 223 CB GLU A 407 -3.761 3.175 -9.025 1.00 0.00 C ATOM 224 CG GLU A 407 -5.015 3.777 -9.584 1.00 0.00 C ATOM 225 CD GLU A 407 -5.374 3.160 -10.898 1.00 0.00 C ATOM 226 OE1 GLU A 407 -4.765 3.533 -11.921 1.00 0.00 O ATOM 227 OE2 GLU A 407 -6.241 2.283 -10.948 1.00 0.00 O ATOM 0 H GLU A 407 -1.844 2.363 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 407 -3.344 4.881 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -2.968 3.266 -9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -3.926 2.110 -8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -5.834 3.638 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -4.881 4.852 -9.709 1.00 0.00 H new ATOM 234 N TRP A 408 -4.852 4.325 -5.997 1.00 0.00 N ATOM 235 CA TRP A 408 -5.639 4.080 -4.827 1.00 0.00 C ATOM 236 C TRP A 408 -7.118 4.043 -5.121 1.00 0.00 C ATOM 237 O TRP A 408 -7.659 4.906 -5.828 1.00 0.00 O ATOM 238 CB TRP A 408 -5.262 5.014 -3.650 1.00 0.00 C ATOM 239 CG TRP A 408 -5.197 6.484 -3.951 1.00 0.00 C ATOM 240 CD1 TRP A 408 -4.199 7.143 -4.610 1.00 0.00 C ATOM 241 CD2 TRP A 408 -6.130 7.483 -3.538 1.00 0.00 C ATOM 242 NE1 TRP A 408 -4.474 8.483 -4.665 1.00 0.00 N ATOM 243 CE2 TRP A 408 -5.652 8.720 -4.007 1.00 0.00 C ATOM 244 CE3 TRP A 408 -7.329 7.448 -2.826 1.00 0.00 C ATOM 245 CZ2 TRP A 408 -6.331 9.908 -3.784 1.00 0.00 C ATOM 246 CZ3 TRP A 408 -7.999 8.628 -2.604 1.00 0.00 C ATOM 247 CH2 TRP A 408 -7.502 9.842 -3.080 1.00 0.00 C ATOM 0 H TRP A 408 -4.899 5.283 -6.345 1.00 0.00 H new ATOM 0 HA TRP A 408 -5.388 3.075 -4.488 1.00 0.00 H new ATOM 0 HB2 TRP A 408 -5.986 4.862 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 408 -4.291 4.702 -3.265 1.00 0.00 H new ATOM 0 HD1 TRP A 408 -3.320 6.675 -5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 408 -3.896 9.189 -5.121 1.00 0.00 H new ATOM 0 HE3 TRP A 408 -7.723 6.513 -2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 408 -5.950 10.849 -4.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 408 -8.927 8.615 -2.051 1.00 0.00 H new ATOM 0 HH2 TRP A 408 -8.054 10.750 -2.888 1.00 0.00 H new ATOM 504 N ARG A 425 -7.420 7.594 -8.771 1.00 0.00 N ATOM 505 CA ARG A 425 -6.257 8.396 -8.679 1.00 0.00 C ATOM 506 C ARG A 425 -5.035 7.561 -8.518 1.00 0.00 C ATOM 507 O ARG A 425 -5.052 6.539 -7.841 1.00 0.00 O ATOM 508 CB ARG A 425 -6.370 9.479 -7.604 1.00 0.00 C ATOM 509 CG ARG A 425 -7.375 10.570 -7.953 1.00 0.00 C ATOM 510 CD ARG A 425 -8.828 10.143 -7.768 1.00 0.00 C ATOM 511 NE ARG A 425 -9.159 9.807 -6.377 1.00 0.00 N ATOM 512 CZ ARG A 425 -10.299 9.200 -5.977 1.00 0.00 C ATOM 513 NH1 ARG A 425 -11.247 8.870 -6.870 1.00 0.00 N ATOM 514 NH2 ARG A 425 -10.486 8.940 -4.691 1.00 0.00 N ATOM 0 HA ARG A 425 -6.162 8.928 -9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -6.659 9.016 -6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -5.391 9.932 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -7.180 11.444 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -7.223 10.874 -8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -9.482 10.947 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -9.030 9.279 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 425 -8.477 10.050 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -11.110 9.077 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -12.104 8.412 -6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -9.772 9.198 -4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -11.344 8.482 -4.383 1.00 0.00 H new ATOM 528 N SER A 426 -3.982 8.014 -9.111 1.00 0.00 N ATOM 529 CA SER A 426 -2.747 7.336 -9.106 1.00 0.00 C ATOM 530 C SER A 426 -1.638 8.370 -8.993 1.00 0.00 C ATOM 531 O SER A 426 -1.734 9.449 -9.599 1.00 0.00 O ATOM 532 CB SER A 426 -2.633 6.487 -10.383 1.00 0.00 C ATOM 533 OG SER A 426 -2.825 7.267 -11.557 1.00 0.00 O ATOM 0 H SER A 426 -3.965 8.894 -9.626 1.00 0.00 H new ATOM 0 HA SER A 426 -2.665 6.656 -8.258 1.00 0.00 H new ATOM 0 HB2 SER A 426 -1.652 6.014 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 426 -3.372 5.686 -10.354 1.00 0.00 H new ATOM 0 HG SER A 426 -2.744 6.694 -12.348 1.00 0.00 H new ATOM 539 N LEU A 427 -0.638 8.089 -8.199 1.00 0.00 N ATOM 540 CA LEU A 427 0.427 9.042 -7.953 1.00 0.00 C ATOM 541 C LEU A 427 1.792 8.361 -8.019 1.00 0.00 C ATOM 542 O LEU A 427 1.954 7.239 -7.521 1.00 0.00 O ATOM 543 CB LEU A 427 0.213 9.712 -6.583 1.00 0.00 C ATOM 544 CG LEU A 427 -1.074 10.548 -6.440 1.00 0.00 C ATOM 545 CD1 LEU A 427 -1.301 10.944 -4.999 1.00 0.00 C ATOM 546 CD2 LEU A 427 -1.003 11.794 -7.314 1.00 0.00 C ATOM 0 H LEU A 427 -0.533 7.202 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 427 0.403 9.808 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 427 0.207 8.936 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 427 1.067 10.357 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 427 -1.912 9.933 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 427 -2.215 11.533 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 427 -1.395 10.048 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 427 -0.457 11.537 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 427 -1.920 12.371 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 427 -0.151 12.403 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 427 -0.887 11.500 -8.357 1.00 0.00 H new ATOM 558 N PRO A 428 2.773 8.993 -8.692 1.00 0.00 N ATOM 559 CA PRO A 428 4.134 8.465 -8.780 1.00 0.00 C ATOM 560 C PRO A 428 4.908 8.642 -7.463 1.00 0.00 C ATOM 561 O PRO A 428 4.871 9.721 -6.827 1.00 0.00 O ATOM 562 CB PRO A 428 4.778 9.292 -9.900 1.00 0.00 C ATOM 563 CG PRO A 428 4.000 10.567 -9.949 1.00 0.00 C ATOM 564 CD PRO A 428 2.613 10.256 -9.449 1.00 0.00 C ATOM 0 HA PRO A 428 4.142 7.393 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 428 5.831 9.482 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 428 4.731 8.766 -10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 428 4.471 11.330 -9.330 1.00 0.00 H new ATOM 0 HG3 PRO A 428 3.965 10.958 -10.966 1.00 0.00 H new ATOM 0 HD2 PRO A 428 2.230 11.055 -8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 428 1.909 10.140 -10.273 1.00 0.00 H new ATOM 572 N CYS A 429 5.604 7.614 -7.065 1.00 0.00 N ATOM 573 CA CYS A 429 6.354 7.619 -5.835 1.00 0.00 C ATOM 574 C CYS A 429 7.666 6.873 -6.009 1.00 0.00 C ATOM 575 O CYS A 429 7.853 6.148 -7.006 1.00 0.00 O ATOM 576 CB CYS A 429 5.524 6.967 -4.732 1.00 0.00 C ATOM 577 SG CYS A 429 4.950 5.307 -5.138 1.00 0.00 S ATOM 0 H CYS A 429 5.669 6.741 -7.588 1.00 0.00 H new ATOM 0 HA CYS A 429 6.578 8.650 -5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 429 6.120 6.922 -3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 429 4.661 7.598 -4.519 1.00 0.00 H new ATOM 0 HG CYS A 429 5.071 5.107 -6.417 1.00 0.00 H new ATOM 583 N GLN A 430 8.546 7.028 -5.054 1.00 0.00 N ATOM 584 CA GLN A 430 9.815 6.354 -5.059 1.00 0.00 C ATOM 585 C GLN A 430 9.808 5.431 -3.863 1.00 0.00 C ATOM 586 O GLN A 430 9.461 5.854 -2.746 1.00 0.00 O ATOM 587 CB GLN A 430 10.974 7.353 -4.901 1.00 0.00 C ATOM 588 CG GLN A 430 11.016 8.502 -5.912 1.00 0.00 C ATOM 589 CD GLN A 430 11.099 8.058 -7.362 1.00 0.00 C ATOM 590 OE1 GLN A 430 10.085 7.899 -8.044 1.00 0.00 O ATOM 591 NE2 GLN A 430 12.292 7.840 -7.846 1.00 0.00 N ATOM 0 H GLN A 430 8.399 7.631 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 430 9.956 5.822 -6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 430 10.925 7.779 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 430 11.913 6.803 -4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 430 10.125 9.116 -5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 430 11.875 9.135 -5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 430 13.114 7.980 -7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 430 12.402 7.530 -8.812 1.00 0.00 H new ATOM 600 N VAL A 431 10.148 4.191 -4.092 1.00 0.00 N ATOM 601 CA VAL A 431 10.089 3.177 -3.077 1.00 0.00 C ATOM 602 C VAL A 431 11.471 2.680 -2.736 1.00 0.00 C ATOM 603 O VAL A 431 12.252 2.215 -3.611 1.00 0.00 O ATOM 604 CB VAL A 431 9.205 1.992 -3.525 1.00 0.00 C ATOM 605 CG1 VAL A 431 9.060 0.947 -2.420 1.00 0.00 C ATOM 606 CG2 VAL A 431 7.853 2.501 -3.962 1.00 0.00 C ATOM 0 H VAL A 431 10.477 3.854 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 431 9.645 3.627 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 431 9.692 1.502 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 431 8.432 0.129 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 431 10.044 0.560 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 431 8.601 1.405 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 431 7.233 1.662 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 431 7.372 3.016 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 431 7.977 3.194 -4.795 1.00 0.00 H new ATOM 616 N TYR A 432 11.769 2.778 -1.494 1.00 0.00 N ATOM 617 CA TYR A 432 13.009 2.357 -0.952 1.00 0.00 C ATOM 618 C TYR A 432 12.731 1.193 -0.048 1.00 0.00 C ATOM 619 O TYR A 432 11.597 0.996 0.355 1.00 0.00 O ATOM 620 CB TYR A 432 13.642 3.493 -0.157 1.00 0.00 C ATOM 621 CG TYR A 432 13.799 4.766 -0.950 1.00 0.00 C ATOM 622 CD1 TYR A 432 14.895 4.960 -1.766 1.00 0.00 C ATOM 623 CD2 TYR A 432 12.843 5.772 -0.879 1.00 0.00 C ATOM 624 CE1 TYR A 432 15.041 6.123 -2.495 1.00 0.00 C ATOM 625 CE2 TYR A 432 12.976 6.934 -1.602 1.00 0.00 C ATOM 626 CZ TYR A 432 14.076 7.108 -2.409 1.00 0.00 C ATOM 627 OH TYR A 432 14.218 8.278 -3.132 1.00 0.00 O ATOM 0 H TYR A 432 11.132 3.168 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 432 13.699 2.072 -1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 432 13.031 3.695 0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 432 14.621 3.174 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 432 15.650 4.190 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 432 11.980 5.639 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 432 15.904 6.262 -3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 432 12.222 7.705 -1.537 1.00 0.00 H new ATOM 0 HH TYR A 432 13.452 8.864 -2.959 1.00 0.00 H new ATOM 637 N VAL A 433 13.721 0.421 0.241 1.00 0.00 N ATOM 638 CA VAL A 433 13.563 -0.708 1.115 1.00 0.00 C ATOM 639 C VAL A 433 14.496 -0.631 2.294 1.00 0.00 C ATOM 640 O VAL A 433 15.602 -0.114 2.184 1.00 0.00 O ATOM 641 CB VAL A 433 13.763 -2.077 0.389 1.00 0.00 C ATOM 642 CG1 VAL A 433 12.624 -2.375 -0.559 1.00 0.00 C ATOM 643 CG2 VAL A 433 15.084 -2.119 -0.351 1.00 0.00 C ATOM 0 H VAL A 433 14.667 0.548 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 433 12.531 -0.661 1.464 1.00 0.00 H new ATOM 0 HB VAL A 433 13.774 -2.848 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 433 12.797 -3.335 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 433 11.688 -2.415 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 433 12.564 -1.591 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 433 15.193 -3.084 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 433 15.109 -1.324 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 433 15.902 -1.979 0.356 1.00 0.00 H new ATOM 653 N ASN A 434 14.009 -1.036 3.425 1.00 0.00 N ATOM 654 CA ASN A 434 14.833 -1.251 4.576 1.00 0.00 C ATOM 655 C ASN A 434 15.208 -2.707 4.608 1.00 0.00 C ATOM 656 O ASN A 434 14.272 -3.620 4.483 1.00 0.00 O ATOM 657 CB ASN A 434 14.206 -0.772 5.897 1.00 0.00 C ATOM 658 CG ASN A 434 14.576 0.648 6.255 1.00 0.00 C ATOM 659 OD1 ASN A 434 13.903 1.604 5.876 1.00 0.00 O ATOM 660 ND2 ASN A 434 15.639 0.801 7.002 1.00 0.00 N ATOM 0 H ASN A 434 13.019 -1.229 3.578 1.00 0.00 H new ATOM 0 HA ASN A 434 15.727 -0.634 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 434 13.121 -0.850 5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 434 14.521 -1.436 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 434 15.932 1.736 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 434 16.175 -0.014 7.299 1.00 0.00 H new ATOM 667 N HIS A 435 16.546 -2.911 4.818 1.00 0.00 N ATOM 668 CA HIS A 435 17.306 -4.180 4.685 1.00 0.00 C ATOM 669 C HIS A 435 16.597 -5.451 5.181 1.00 0.00 C ATOM 670 O HIS A 435 15.647 -5.412 5.980 1.00 0.00 O ATOM 671 CB HIS A 435 18.685 -4.108 5.380 1.00 0.00 C ATOM 672 CG HIS A 435 19.762 -3.363 4.641 1.00 0.00 C ATOM 673 ND1 HIS A 435 20.199 -2.094 4.774 1.00 0.00 N flip ATOM 674 CD2 HIS A 435 20.579 -3.942 3.691 1.00 0.00 C flip ATOM 675 CE1 HIS A 435 21.289 -1.885 3.926 1.00 0.00 C flip ATOM 676 NE2 HIS A 435 21.474 -3.033 3.297 1.00 0.00 N flip ATOM 0 H HIS A 435 17.152 -2.141 5.102 1.00 0.00 H new ATOM 0 HA HIS A 435 17.407 -4.273 3.604 1.00 0.00 H new ATOM 0 HB2 HIS A 435 18.553 -3.641 6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 435 19.033 -5.126 5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 435 20.507 -4.957 3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 435 21.861 -0.976 3.809 1.00 0.00 H new ATOM 0 HE2 HIS A 435 22.203 -3.202 2.604 1.00 0.00 H new ATOM 684 N GLY A 436 17.154 -6.583 4.789 1.00 0.00 N ATOM 685 CA GLY A 436 16.543 -7.860 5.083 1.00 0.00 C ATOM 686 C GLY A 436 16.004 -8.451 3.812 1.00 0.00 C ATOM 687 O GLY A 436 15.459 -9.561 3.779 1.00 0.00 O ATOM 0 H GLY A 436 18.028 -6.641 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 436 17.275 -8.533 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 436 15.740 -7.734 5.809 1.00 0.00 H new ATOM 691 N GLU A 437 16.154 -7.688 2.766 1.00 0.00 N ATOM 692 CA GLU A 437 15.621 -7.992 1.487 1.00 0.00 C ATOM 693 C GLU A 437 16.675 -8.432 0.493 1.00 0.00 C ATOM 694 O GLU A 437 17.884 -8.265 0.716 1.00 0.00 O ATOM 695 CB GLU A 437 14.855 -6.756 0.948 1.00 0.00 C ATOM 696 CG GLU A 437 15.653 -5.431 0.838 1.00 0.00 C ATOM 697 CD GLU A 437 16.732 -5.418 -0.246 1.00 0.00 C ATOM 698 OE1 GLU A 437 17.931 -5.363 0.090 1.00 0.00 O ATOM 699 OE2 GLU A 437 16.388 -5.504 -1.445 1.00 0.00 O ATOM 0 H GLU A 437 16.670 -6.809 2.792 1.00 0.00 H new ATOM 0 HA GLU A 437 14.943 -8.837 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 437 14.467 -7.002 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 437 13.995 -6.582 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 437 14.954 -4.618 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 437 16.122 -5.225 1.800 1.00 0.00 H new ATOM 706 N ASN A 438 16.202 -9.060 -0.543 1.00 0.00 N ATOM 707 CA ASN A 438 16.953 -9.284 -1.749 1.00 0.00 C ATOM 708 C ASN A 438 15.933 -9.588 -2.810 1.00 0.00 C ATOM 709 O ASN A 438 15.414 -10.698 -2.879 1.00 0.00 O ATOM 710 CB ASN A 438 17.930 -10.463 -1.602 1.00 0.00 C ATOM 711 CG ASN A 438 18.759 -10.698 -2.854 1.00 0.00 C ATOM 712 OD1 ASN A 438 18.377 -11.458 -3.741 1.00 0.00 O ATOM 713 ND2 ASN A 438 19.885 -10.059 -2.933 1.00 0.00 N ATOM 0 H ASN A 438 15.257 -9.442 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 438 17.560 -8.412 -1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 438 18.596 -10.274 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 438 17.369 -11.368 -1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 438 20.484 -10.180 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 438 20.172 -9.436 -2.178 1.00 0.00 H new ATOM 720 N LEU A 439 15.536 -8.576 -3.536 1.00 0.00 N ATOM 721 CA LEU A 439 14.588 -8.739 -4.611 1.00 0.00 C ATOM 722 C LEU A 439 14.934 -7.861 -5.780 1.00 0.00 C ATOM 723 O LEU A 439 15.535 -6.791 -5.606 1.00 0.00 O ATOM 724 CB LEU A 439 13.113 -8.493 -4.181 1.00 0.00 C ATOM 725 CG LEU A 439 12.664 -7.053 -3.830 1.00 0.00 C ATOM 726 CD1 LEU A 439 11.165 -7.026 -3.638 1.00 0.00 C ATOM 727 CD2 LEU A 439 13.328 -6.530 -2.564 1.00 0.00 C ATOM 0 H LEU A 439 15.858 -7.618 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 439 14.662 -9.785 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 439 12.471 -8.851 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 439 12.914 -9.121 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 439 12.964 -6.410 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 439 10.848 -6.013 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 439 10.675 -7.346 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 439 10.890 -7.700 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 439 12.979 -5.517 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 439 13.071 -7.176 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 439 14.410 -6.522 -2.697 1.00 0.00 H new ATOM 739 N LYS A 440 14.569 -8.296 -6.939 1.00 0.00 N ATOM 740 CA LYS A 440 14.617 -7.469 -8.103 1.00 0.00 C ATOM 741 C LYS A 440 13.188 -7.024 -8.368 1.00 0.00 C ATOM 742 O LYS A 440 12.258 -7.832 -8.276 1.00 0.00 O ATOM 743 CB LYS A 440 15.228 -8.217 -9.290 1.00 0.00 C ATOM 744 CG LYS A 440 16.677 -8.647 -9.036 1.00 0.00 C ATOM 745 CD LYS A 440 17.313 -9.321 -10.245 1.00 0.00 C ATOM 746 CE LYS A 440 16.607 -10.610 -10.617 1.00 0.00 C ATOM 747 NZ LYS A 440 17.247 -11.259 -11.775 1.00 0.00 N ATOM 0 H LYS A 440 14.226 -9.242 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 440 15.260 -6.602 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 440 14.625 -9.098 -9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 440 15.192 -7.579 -10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 440 17.268 -7.773 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 440 16.705 -9.331 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 440 17.290 -8.638 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 440 18.361 -9.531 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 440 16.616 -11.290 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 440 15.562 -10.401 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 16.740 -12.138 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 17.216 -10.618 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 18.237 -11.480 -11.546 1.00 0.00 H new ATOM 761 N THR A 441 12.995 -5.778 -8.661 1.00 0.00 N ATOM 762 CA THR A 441 11.670 -5.219 -8.758 1.00 0.00 C ATOM 763 C THR A 441 11.126 -5.213 -10.189 1.00 0.00 C ATOM 764 O THR A 441 10.196 -4.474 -10.519 1.00 0.00 O ATOM 765 CB THR A 441 11.670 -3.820 -8.133 1.00 0.00 C ATOM 766 OG1 THR A 441 12.819 -3.096 -8.607 1.00 0.00 O ATOM 767 CG2 THR A 441 11.730 -3.931 -6.610 1.00 0.00 C ATOM 0 H THR A 441 13.747 -5.113 -8.841 1.00 0.00 H new ATOM 0 HA THR A 441 10.987 -5.860 -8.201 1.00 0.00 H new ATOM 0 HB THR A 441 10.757 -3.295 -8.415 1.00 0.00 H new ATOM 0 HG1 THR A 441 13.099 -2.446 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 441 11.730 -2.933 -6.172 1.00 0.00 H new ATOM 0 HG22 THR A 441 10.863 -4.485 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 441 12.641 -4.455 -6.319 1.00 0.00 H new ATOM 775 N GLU A 442 11.665 -6.094 -11.012 1.00 0.00 N ATOM 776 CA GLU A 442 11.213 -6.252 -12.378 1.00 0.00 C ATOM 777 C GLU A 442 9.874 -7.011 -12.385 1.00 0.00 C ATOM 778 O GLU A 442 9.041 -6.823 -13.265 1.00 0.00 O ATOM 779 CB GLU A 442 12.263 -7.010 -13.192 1.00 0.00 C ATOM 780 CG GLU A 442 11.909 -7.189 -14.651 1.00 0.00 C ATOM 781 CD GLU A 442 12.883 -8.054 -15.381 1.00 0.00 C ATOM 782 OE1 GLU A 442 12.837 -9.294 -15.195 1.00 0.00 O ATOM 783 OE2 GLU A 442 13.690 -7.529 -16.171 1.00 0.00 O ATOM 0 H GLU A 442 12.428 -6.719 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 442 11.069 -5.271 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 442 13.212 -6.479 -13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 442 12.414 -7.992 -12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 442 10.913 -7.626 -14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 442 11.866 -6.212 -15.132 1.00 0.00 H new ATOM 790 N GLN A 443 9.690 -7.843 -11.371 1.00 0.00 N ATOM 791 CA GLN A 443 8.469 -8.639 -11.177 1.00 0.00 C ATOM 792 C GLN A 443 7.304 -7.729 -10.738 1.00 0.00 C ATOM 793 O GLN A 443 6.120 -8.103 -10.800 1.00 0.00 O ATOM 794 CB GLN A 443 8.755 -9.716 -10.109 1.00 0.00 C ATOM 795 CG GLN A 443 7.642 -10.731 -9.838 1.00 0.00 C ATOM 796 CD GLN A 443 7.315 -11.632 -11.022 1.00 0.00 C ATOM 797 OE1 GLN A 443 7.412 -11.242 -12.192 1.00 0.00 O ATOM 798 NE2 GLN A 443 6.965 -12.855 -10.732 1.00 0.00 N ATOM 0 H GLN A 443 10.390 -7.992 -10.644 1.00 0.00 H new ATOM 0 HA GLN A 443 8.181 -9.119 -12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 443 9.648 -10.263 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 443 8.990 -9.211 -9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 443 7.932 -11.354 -8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 443 6.740 -10.194 -9.545 1.00 0.00 H new ATOM 0 HE21 GLN A 443 6.894 -13.148 -9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 443 6.763 -13.519 -11.480 1.00 0.00 H new ATOM 807 N TRP A 444 7.655 -6.538 -10.316 1.00 0.00 N ATOM 808 CA TRP A 444 6.706 -5.551 -9.871 1.00 0.00 C ATOM 809 C TRP A 444 6.236 -4.727 -11.061 1.00 0.00 C ATOM 810 O TRP A 444 7.067 -4.234 -11.834 1.00 0.00 O ATOM 811 CB TRP A 444 7.360 -4.605 -8.849 1.00 0.00 C ATOM 812 CG TRP A 444 7.691 -5.206 -7.508 1.00 0.00 C ATOM 813 CD1 TRP A 444 7.977 -6.515 -7.212 1.00 0.00 C ATOM 814 CD2 TRP A 444 7.796 -4.488 -6.279 1.00 0.00 C ATOM 815 NE1 TRP A 444 8.223 -6.649 -5.869 1.00 0.00 N ATOM 816 CE2 TRP A 444 8.124 -5.415 -5.276 1.00 0.00 C ATOM 817 CE3 TRP A 444 7.633 -3.142 -5.932 1.00 0.00 C ATOM 818 CZ2 TRP A 444 8.294 -5.041 -3.947 1.00 0.00 C ATOM 819 CZ3 TRP A 444 7.805 -2.769 -4.615 1.00 0.00 C ATOM 820 CH2 TRP A 444 8.133 -3.717 -3.634 1.00 0.00 C ATOM 0 H TRP A 444 8.625 -6.224 -10.272 1.00 0.00 H new ATOM 0 HA TRP A 444 5.863 -6.063 -9.407 1.00 0.00 H new ATOM 0 HB2 TRP A 444 8.278 -4.211 -9.285 1.00 0.00 H new ATOM 0 HB3 TRP A 444 6.693 -3.757 -8.690 1.00 0.00 H new ATOM 0 HD1 TRP A 444 8.004 -7.321 -7.930 1.00 0.00 H new ATOM 0 HE1 TRP A 444 8.443 -7.522 -5.390 1.00 0.00 H new ATOM 0 HE3 TRP A 444 7.377 -2.408 -6.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 444 8.544 -5.768 -3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 444 7.686 -1.733 -4.335 1.00 0.00 H new ATOM 0 HH2 TRP A 444 8.261 -3.396 -2.611 1.00 0.00 H new ATOM 831 N PRO A 445 4.921 -4.612 -11.281 1.00 0.00 N ATOM 832 CA PRO A 445 4.377 -3.734 -12.322 1.00 0.00 C ATOM 833 C PRO A 445 4.582 -2.271 -11.933 1.00 0.00 C ATOM 834 O PRO A 445 4.737 -1.967 -10.758 1.00 0.00 O ATOM 835 CB PRO A 445 2.876 -4.069 -12.336 1.00 0.00 C ATOM 836 CG PRO A 445 2.776 -5.364 -11.619 1.00 0.00 C ATOM 837 CD PRO A 445 3.857 -5.337 -10.585 1.00 0.00 C ATOM 0 HA PRO A 445 4.855 -3.877 -13.291 1.00 0.00 H new ATOM 0 HB2 PRO A 445 2.292 -3.294 -11.839 1.00 0.00 H new ATOM 0 HB3 PRO A 445 2.497 -4.149 -13.355 1.00 0.00 H new ATOM 0 HG2 PRO A 445 1.795 -5.482 -11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 445 2.909 -6.202 -12.303 1.00 0.00 H new ATOM 0 HD2 PRO A 445 3.541 -4.825 -9.676 1.00 0.00 H new ATOM 0 HD3 PRO A 445 4.169 -6.340 -10.294 1.00 0.00 H new ATOM 845 N GLN A 446 4.573 -1.373 -12.904 1.00 0.00 N ATOM 846 CA GLN A 446 4.796 0.042 -12.624 1.00 0.00 C ATOM 847 C GLN A 446 3.550 0.713 -12.032 1.00 0.00 C ATOM 848 O GLN A 446 3.579 1.885 -11.646 1.00 0.00 O ATOM 849 CB GLN A 446 5.300 0.788 -13.853 1.00 0.00 C ATOM 850 CG GLN A 446 4.332 0.806 -14.984 1.00 0.00 C ATOM 851 CD GLN A 446 4.867 1.535 -16.190 1.00 0.00 C ATOM 852 OE1 GLN A 446 5.484 0.942 -17.077 1.00 0.00 O ATOM 853 NE2 GLN A 446 4.651 2.819 -16.236 1.00 0.00 N ATOM 0 H GLN A 446 4.415 -1.593 -13.887 1.00 0.00 H new ATOM 0 HA GLN A 446 5.579 0.094 -11.868 1.00 0.00 H new ATOM 0 HB2 GLN A 446 5.535 1.815 -13.572 1.00 0.00 H new ATOM 0 HB3 GLN A 446 6.229 0.329 -14.190 1.00 0.00 H new ATOM 0 HG2 GLN A 446 4.085 -0.218 -15.263 1.00 0.00 H new ATOM 0 HG3 GLN A 446 3.406 1.280 -14.658 1.00 0.00 H new ATOM 0 HE21 GLN A 446 4.136 3.277 -15.484 1.00 0.00 H new ATOM 0 HE22 GLN A 446 4.997 3.366 -17.024 1.00 0.00 H new ATOM 862 N LYS A 447 2.470 -0.034 -11.987 1.00 0.00 N ATOM 863 CA LYS A 447 1.234 0.380 -11.366 1.00 0.00 C ATOM 864 C LYS A 447 0.924 -0.602 -10.262 1.00 0.00 C ATOM 865 O LYS A 447 0.909 -1.799 -10.508 1.00 0.00 O ATOM 866 CB LYS A 447 0.067 0.360 -12.376 1.00 0.00 C ATOM 867 CG LYS A 447 0.133 1.392 -13.503 1.00 0.00 C ATOM 868 CD LYS A 447 0.002 2.831 -12.992 1.00 0.00 C ATOM 869 CE LYS A 447 -1.334 3.092 -12.272 1.00 0.00 C ATOM 870 NZ LYS A 447 -2.516 2.824 -13.127 1.00 0.00 N ATOM 0 H LYS A 447 2.427 -0.969 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 447 1.347 1.396 -10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.017 -0.633 -12.823 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.863 0.510 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 447 1.078 1.284 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.662 1.192 -14.221 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.825 3.045 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.097 3.519 -13.832 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.388 2.467 -11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.363 4.129 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -3.309 3.424 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -2.283 3.037 -14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -2.786 1.823 -13.042 1.00 0.00 H new ATOM 884 N LEU A 448 0.734 -0.125 -9.058 1.00 0.00 N ATOM 885 CA LEU A 448 0.348 -0.995 -7.954 1.00 0.00 C ATOM 886 C LEU A 448 -1.002 -0.565 -7.432 1.00 0.00 C ATOM 887 O LEU A 448 -1.325 0.635 -7.467 1.00 0.00 O ATOM 888 CB LEU A 448 1.382 -1.002 -6.822 1.00 0.00 C ATOM 889 CG LEU A 448 2.802 -1.452 -7.178 1.00 0.00 C ATOM 890 CD1 LEU A 448 3.660 -1.554 -5.930 1.00 0.00 C ATOM 891 CD2 LEU A 448 2.792 -2.763 -7.933 1.00 0.00 C ATOM 0 H LEU A 448 0.838 0.858 -8.808 1.00 0.00 H new ATOM 0 HA LEU A 448 0.295 -2.015 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 448 1.440 0.005 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 448 1.011 -1.650 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 448 3.237 -0.697 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.665 -1.875 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.711 -0.580 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 448 3.222 -2.280 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 448 3.815 -3.054 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.329 -3.534 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 448 2.224 -2.647 -8.856 1.00 0.00 H new ATOM 903 N ILE A 449 -1.798 -1.510 -6.971 1.00 0.00 N ATOM 904 CA ILE A 449 -3.134 -1.192 -6.521 1.00 0.00 C ATOM 905 C ILE A 449 -3.170 -1.143 -5.005 1.00 0.00 C ATOM 906 O ILE A 449 -2.897 -2.143 -4.333 1.00 0.00 O ATOM 907 CB ILE A 449 -4.177 -2.225 -7.043 1.00 0.00 C ATOM 908 CG1 ILE A 449 -4.150 -2.273 -8.581 1.00 0.00 C ATOM 909 CG2 ILE A 449 -5.584 -1.873 -6.542 1.00 0.00 C ATOM 910 CD1 ILE A 449 -5.061 -3.323 -9.191 1.00 0.00 C ATOM 0 H ILE A 449 -1.544 -2.495 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 449 -3.399 -0.215 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 449 -3.914 -3.210 -6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 449 -4.433 -1.294 -8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 449 -3.128 -2.462 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 449 -6.298 -2.606 -6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 449 -5.595 -1.881 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 449 -5.860 -0.881 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 449 -4.980 -3.288 -10.277 1.00 0.00 H new ATOM 0 HD12 ILE A 449 -4.766 -4.311 -8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 449 -6.092 -3.125 -8.897 1.00 0.00 H new ATOM 922 N MET A 450 -3.484 0.004 -4.470 1.00 0.00 N ATOM 923 CA MET A 450 -3.592 0.163 -3.043 1.00 0.00 C ATOM 924 C MET A 450 -5.034 0.433 -2.657 1.00 0.00 C ATOM 925 O MET A 450 -5.714 1.286 -3.244 1.00 0.00 O ATOM 926 CB MET A 450 -2.639 1.242 -2.489 1.00 0.00 C ATOM 927 CG MET A 450 -2.777 2.600 -3.144 1.00 0.00 C ATOM 928 SD MET A 450 -1.777 3.889 -2.370 1.00 0.00 S ATOM 929 CE MET A 450 -2.594 4.064 -0.781 1.00 0.00 C ATOM 0 H MET A 450 -3.672 0.852 -5.005 1.00 0.00 H new ATOM 0 HA MET A 450 -3.277 -0.773 -2.582 1.00 0.00 H new ATOM 0 HB2 MET A 450 -2.816 1.350 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 450 -1.612 0.898 -2.609 1.00 0.00 H new ATOM 0 HG2 MET A 450 -2.496 2.517 -4.194 1.00 0.00 H new ATOM 0 HG3 MET A 450 -3.824 2.901 -3.117 1.00 0.00 H new ATOM 0 HE1 MET A 450 -2.216 4.951 -0.273 1.00 0.00 H new ATOM 0 HE2 MET A 450 -3.669 4.164 -0.933 1.00 0.00 H new ATOM 0 HE3 MET A 450 -2.394 3.184 -0.170 1.00 0.00 H new ATOM 939 N GLN A 451 -5.515 -0.325 -1.715 1.00 0.00 N ATOM 940 CA GLN A 451 -6.883 -0.212 -1.265 1.00 0.00 C ATOM 941 C GLN A 451 -6.888 0.260 0.174 1.00 0.00 C ATOM 942 O GLN A 451 -6.146 -0.282 1.006 1.00 0.00 O ATOM 943 CB GLN A 451 -7.585 -1.566 -1.391 1.00 0.00 C ATOM 944 CG GLN A 451 -7.535 -2.144 -2.801 1.00 0.00 C ATOM 945 CD GLN A 451 -8.214 -3.489 -2.913 1.00 0.00 C ATOM 946 OE1 GLN A 451 -7.471 -4.542 -2.706 1.00 0.00 O flip ATOM 947 NE2 GLN A 451 -9.392 -3.571 -3.191 1.00 0.00 N flip ATOM 0 H GLN A 451 -4.973 -1.042 -1.233 1.00 0.00 H new ATOM 0 HA GLN A 451 -7.420 0.509 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 451 -7.124 -2.272 -0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 451 -8.626 -1.457 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 451 -8.009 -1.446 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 451 -6.495 -2.242 -3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 451 -9.940 -2.724 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 451 -9.835 -4.486 -3.270 1.00 0.00 H new ATOM 956 N LEU A 452 -7.679 1.271 0.457 1.00 0.00 N ATOM 957 CA LEU A 452 -7.746 1.843 1.788 1.00 0.00 C ATOM 958 C LEU A 452 -8.644 1.023 2.703 1.00 0.00 C ATOM 959 O LEU A 452 -9.815 0.762 2.396 1.00 0.00 O ATOM 960 CB LEU A 452 -8.182 3.327 1.761 1.00 0.00 C ATOM 961 CG LEU A 452 -7.204 4.350 1.120 1.00 0.00 C ATOM 962 CD1 LEU A 452 -5.822 4.263 1.743 1.00 0.00 C ATOM 963 CD2 LEU A 452 -7.129 4.223 -0.396 1.00 0.00 C ATOM 0 H LEU A 452 -8.292 1.720 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 452 -6.736 1.811 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -9.131 3.389 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -8.372 3.641 2.788 1.00 0.00 H new ATOM 0 HG LEU A 452 -7.612 5.338 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -5.164 4.992 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -5.890 4.473 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -5.419 3.261 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -6.431 4.962 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -6.786 3.223 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -8.117 4.393 -0.825 1.00 0.00 H new ATOM 975 N ILE A 453 -8.078 0.617 3.808 1.00 0.00 N ATOM 976 CA ILE A 453 -8.726 -0.219 4.802 1.00 0.00 C ATOM 977 C ILE A 453 -8.459 0.372 6.198 1.00 0.00 C ATOM 978 O ILE A 453 -7.553 1.190 6.337 1.00 0.00 O ATOM 979 CB ILE A 453 -8.169 -1.673 4.729 1.00 0.00 C ATOM 980 CG1 ILE A 453 -6.624 -1.669 4.806 1.00 0.00 C ATOM 981 CG2 ILE A 453 -8.669 -2.395 3.473 1.00 0.00 C ATOM 982 CD1 ILE A 453 -5.985 -3.038 4.746 1.00 0.00 C ATOM 0 H ILE A 453 -7.120 0.864 4.056 1.00 0.00 H new ATOM 0 HA ILE A 453 -9.798 -0.249 4.610 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.544 -2.226 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -6.235 -1.065 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -6.321 -1.182 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -8.264 -3.407 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -9.758 -2.440 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -8.341 -1.852 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -4.901 -2.937 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -6.340 -3.642 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -6.252 -3.523 3.807 1.00 0.00 H new ATOM 994 N PRO A 454 -9.244 0.015 7.245 1.00 0.00 N ATOM 995 CA PRO A 454 -9.008 0.546 8.594 1.00 0.00 C ATOM 996 C PRO A 454 -7.665 0.060 9.161 1.00 0.00 C ATOM 997 O PRO A 454 -7.389 -1.146 9.188 1.00 0.00 O ATOM 998 CB PRO A 454 -10.163 -0.033 9.434 1.00 0.00 C ATOM 999 CG PRO A 454 -11.156 -0.567 8.453 1.00 0.00 C ATOM 1000 CD PRO A 454 -10.395 -0.900 7.203 1.00 0.00 C ATOM 0 HA PRO A 454 -8.971 1.635 8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 454 -9.807 -0.821 10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 454 -10.611 0.735 10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 454 -11.654 -1.452 8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 454 -11.932 0.171 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 454 -10.078 -1.943 7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 454 -11.001 -0.742 6.311 1.00 0.00 H new ATOM 1008 N GLN A 455 -6.860 1.002 9.643 1.00 0.00 N ATOM 1009 CA GLN A 455 -5.522 0.725 10.203 1.00 0.00 C ATOM 1010 C GLN A 455 -5.639 -0.148 11.463 1.00 0.00 C ATOM 1011 O GLN A 455 -4.755 -0.931 11.782 1.00 0.00 O ATOM 1012 CB GLN A 455 -4.810 2.076 10.494 1.00 0.00 C ATOM 1013 CG GLN A 455 -3.282 2.037 10.669 1.00 0.00 C ATOM 1014 CD GLN A 455 -2.786 1.427 11.963 1.00 0.00 C ATOM 1015 OE1 GLN A 455 -3.431 1.499 13.000 1.00 0.00 O ATOM 1016 NE2 GLN A 455 -1.625 0.840 11.918 1.00 0.00 N ATOM 0 H GLN A 455 -7.111 1.990 9.660 1.00 0.00 H new ATOM 0 HA GLN A 455 -4.922 0.166 9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 455 -5.040 2.763 9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 455 -5.244 2.499 11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 455 -2.853 1.478 9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 455 -2.900 3.056 10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 455 -1.110 0.795 11.039 1.00 0.00 H new ATOM 0 HE22 GLN A 455 -1.230 0.425 12.762 1.00 0.00 H new ATOM 1025 N GLN A 456 -6.779 -0.036 12.115 1.00 0.00 N ATOM 1026 CA GLN A 456 -7.061 -0.676 13.405 1.00 0.00 C ATOM 1027 C GLN A 456 -6.892 -2.204 13.359 1.00 0.00 C ATOM 1028 O GLN A 456 -6.477 -2.827 14.336 1.00 0.00 O ATOM 1029 CB GLN A 456 -8.497 -0.345 13.831 1.00 0.00 C ATOM 1030 CG GLN A 456 -8.844 1.143 13.788 1.00 0.00 C ATOM 1031 CD GLN A 456 -7.940 1.989 14.655 1.00 0.00 C ATOM 1032 OE1 GLN A 456 -6.900 2.476 14.206 1.00 0.00 O ATOM 1033 NE2 GLN A 456 -8.322 2.183 15.881 1.00 0.00 N ATOM 0 H GLN A 456 -7.561 0.515 11.762 1.00 0.00 H new ATOM 0 HA GLN A 456 -6.339 -0.287 14.124 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -9.188 -0.885 13.184 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.656 -0.713 14.845 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.782 1.495 12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -9.877 1.278 14.110 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -9.189 1.764 16.217 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -7.755 2.755 16.507 1.00 0.00 H new ATOM 1042 N LEU A 457 -7.192 -2.794 12.225 1.00 0.00 N ATOM 1043 CA LEU A 457 -7.134 -4.245 12.066 1.00 0.00 C ATOM 1044 C LEU A 457 -5.750 -4.749 11.664 1.00 0.00 C ATOM 1045 O LEU A 457 -5.572 -5.931 11.368 1.00 0.00 O ATOM 1046 CB LEU A 457 -8.193 -4.703 11.081 1.00 0.00 C ATOM 1047 CG LEU A 457 -9.637 -4.504 11.539 1.00 0.00 C ATOM 1048 CD1 LEU A 457 -10.574 -4.773 10.407 1.00 0.00 C ATOM 1049 CD2 LEU A 457 -9.964 -5.435 12.699 1.00 0.00 C ATOM 0 H LEU A 457 -7.483 -2.293 11.386 1.00 0.00 H new ATOM 0 HA LEU A 457 -7.339 -4.684 13.042 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -8.049 -4.168 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -8.038 -5.761 10.871 1.00 0.00 H new ATOM 0 HG LEU A 457 -9.753 -3.472 11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -11.601 -4.629 10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -10.360 -4.087 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -10.445 -5.800 10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -10.997 -5.279 13.011 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -9.833 -6.470 12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -9.296 -5.224 13.534 1.00 0.00 H new ATOM 1061 N LEU A 458 -4.764 -3.871 11.687 1.00 0.00 N ATOM 1062 CA LEU A 458 -3.404 -4.250 11.326 1.00 0.00 C ATOM 1063 C LEU A 458 -2.803 -5.173 12.393 1.00 0.00 C ATOM 1064 O LEU A 458 -1.880 -5.953 12.123 1.00 0.00 O ATOM 1065 CB LEU A 458 -2.525 -3.008 11.161 1.00 0.00 C ATOM 1066 CG LEU A 458 -1.119 -3.255 10.630 1.00 0.00 C ATOM 1067 CD1 LEU A 458 -1.185 -3.801 9.230 1.00 0.00 C ATOM 1068 CD2 LEU A 458 -0.308 -1.995 10.653 1.00 0.00 C ATOM 0 H LEU A 458 -4.876 -2.892 11.951 1.00 0.00 H new ATOM 0 HA LEU A 458 -3.441 -4.784 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 458 -3.030 -2.316 10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 458 -2.445 -2.512 12.128 1.00 0.00 H new ATOM 0 HG LEU A 458 -0.633 -3.985 11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 458 -0.175 -3.974 8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 458 -1.737 -4.741 9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 458 -1.691 -3.084 8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 458 0.692 -2.199 10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 458 -0.789 -1.241 10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 458 -0.235 -1.628 11.677 1.00 0.00 H new ATOM 1080 N THR A 459 -3.348 -5.094 13.587 1.00 0.00 N ATOM 1081 CA THR A 459 -2.904 -5.882 14.711 1.00 0.00 C ATOM 1082 C THR A 459 -3.175 -7.386 14.465 1.00 0.00 C ATOM 1083 O THR A 459 -2.423 -8.258 14.913 1.00 0.00 O ATOM 1084 CB THR A 459 -3.657 -5.404 15.956 1.00 0.00 C ATOM 1085 OG1 THR A 459 -3.681 -3.959 15.933 1.00 0.00 O ATOM 1086 CG2 THR A 459 -2.950 -5.868 17.223 1.00 0.00 C ATOM 0 H THR A 459 -4.124 -4.470 13.806 1.00 0.00 H new ATOM 0 HA THR A 459 -1.830 -5.757 14.849 1.00 0.00 H new ATOM 0 HB THR A 459 -4.666 -5.816 15.953 1.00 0.00 H new ATOM 0 HG1 THR A 459 -4.160 -3.627 16.721 1.00 0.00 H new ATOM 0 HG21 THR A 459 -3.501 -5.518 18.096 1.00 0.00 H new ATOM 0 HG22 THR A 459 -2.904 -6.957 17.236 1.00 0.00 H new ATOM 0 HG23 THR A 459 -1.939 -5.461 17.245 1.00 0.00 H new ATOM 1094 N THR A 460 -4.210 -7.665 13.699 1.00 0.00 N ATOM 1095 CA THR A 460 -4.615 -9.011 13.380 1.00 0.00 C ATOM 1096 C THR A 460 -3.614 -9.667 12.393 1.00 0.00 C ATOM 1097 O THR A 460 -3.496 -10.893 12.320 1.00 0.00 O ATOM 1098 CB THR A 460 -6.007 -8.946 12.739 1.00 0.00 C ATOM 1099 OG1 THR A 460 -6.842 -8.081 13.534 1.00 0.00 O ATOM 1100 CG2 THR A 460 -6.642 -10.323 12.664 1.00 0.00 C ATOM 0 H THR A 460 -4.800 -6.949 13.276 1.00 0.00 H new ATOM 0 HA THR A 460 -4.635 -9.614 14.288 1.00 0.00 H new ATOM 0 HB THR A 460 -5.908 -8.561 11.724 1.00 0.00 H new ATOM 0 HG1 THR A 460 -7.735 -8.030 13.133 1.00 0.00 H new ATOM 0 HG21 THR A 460 -7.628 -10.245 12.205 1.00 0.00 H new ATOM 0 HG22 THR A 460 -6.014 -10.981 12.064 1.00 0.00 H new ATOM 0 HG23 THR A 460 -6.741 -10.733 13.669 1.00 0.00 H new ATOM 1108 N LEU A 461 -2.857 -8.839 11.702 1.00 0.00 N ATOM 1109 CA LEU A 461 -1.941 -9.296 10.664 1.00 0.00 C ATOM 1110 C LEU A 461 -0.517 -9.465 11.203 1.00 0.00 C ATOM 1111 O LEU A 461 0.423 -9.709 10.438 1.00 0.00 O ATOM 1112 CB LEU A 461 -1.964 -8.300 9.508 1.00 0.00 C ATOM 1113 CG LEU A 461 -3.327 -8.093 8.836 1.00 0.00 C ATOM 1114 CD1 LEU A 461 -3.252 -6.977 7.816 1.00 0.00 C ATOM 1115 CD2 LEU A 461 -3.805 -9.378 8.174 1.00 0.00 C ATOM 0 H LEU A 461 -2.856 -7.828 11.841 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.268 -10.275 10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -1.611 -7.337 9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -1.253 -8.633 8.752 1.00 0.00 H new ATOM 0 HG LEU A 461 -4.045 -7.815 9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -4.228 -6.844 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.957 -6.051 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -2.516 -7.231 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -4.773 -9.207 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -3.084 -9.687 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -3.900 -10.161 8.926 1.00 0.00 H new ATOM 1127 N GLY A 462 -0.391 -9.386 12.526 1.00 0.00 N ATOM 1128 CA GLY A 462 0.897 -9.510 13.230 1.00 0.00 C ATOM 1129 C GLY A 462 1.812 -10.674 12.760 1.00 0.00 C ATOM 1130 O GLY A 462 2.990 -10.431 12.459 1.00 0.00 O ATOM 0 H GLY A 462 -1.183 -9.233 13.151 1.00 0.00 H new ATOM 0 HA2 GLY A 462 1.444 -8.574 13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 462 0.698 -9.636 14.294 1.00 0.00 H new ATOM 1134 N PRO A 463 1.310 -11.949 12.678 1.00 0.00 N ATOM 1135 CA PRO A 463 2.124 -13.108 12.241 1.00 0.00 C ATOM 1136 C PRO A 463 2.651 -12.993 10.800 1.00 0.00 C ATOM 1137 O PRO A 463 3.606 -13.670 10.436 1.00 0.00 O ATOM 1138 CB PRO A 463 1.172 -14.308 12.370 1.00 0.00 C ATOM 1139 CG PRO A 463 -0.194 -13.715 12.390 1.00 0.00 C ATOM 1140 CD PRO A 463 -0.055 -12.379 13.056 1.00 0.00 C ATOM 0 HA PRO A 463 3.025 -13.191 12.849 1.00 0.00 H new ATOM 0 HB2 PRO A 463 1.291 -14.998 11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 463 1.370 -14.873 13.281 1.00 0.00 H new ATOM 0 HG2 PRO A 463 -0.588 -13.608 11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 463 -0.888 -14.353 12.937 1.00 0.00 H new ATOM 0 HD2 PRO A 463 -0.810 -11.675 12.706 1.00 0.00 H new ATOM 0 HD3 PRO A 463 -0.167 -12.455 14.137 1.00 0.00 H new ATOM 1148 N LEU A 464 2.046 -12.146 9.992 1.00 0.00 N ATOM 1149 CA LEU A 464 2.517 -11.957 8.625 1.00 0.00 C ATOM 1150 C LEU A 464 3.716 -11.024 8.631 1.00 0.00 C ATOM 1151 O LEU A 464 4.730 -11.293 8.000 1.00 0.00 O ATOM 1152 CB LEU A 464 1.411 -11.429 7.678 1.00 0.00 C ATOM 1153 CG LEU A 464 0.243 -12.389 7.323 1.00 0.00 C ATOM 1154 CD1 LEU A 464 0.758 -13.710 6.766 1.00 0.00 C ATOM 1155 CD2 LEU A 464 -0.705 -12.615 8.497 1.00 0.00 C ATOM 0 H LEU A 464 1.236 -11.581 10.249 1.00 0.00 H new ATOM 0 HA LEU A 464 2.810 -12.932 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 464 0.983 -10.534 8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 464 1.886 -11.121 6.747 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.337 -11.898 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -0.085 -14.358 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 464 1.338 -13.522 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 464 1.391 -14.196 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -1.503 -13.293 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -0.154 -13.051 9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -1.136 -11.662 8.805 1.00 0.00 H new ATOM 1167 N PHE A 465 3.613 -9.972 9.432 1.00 0.00 N ATOM 1168 CA PHE A 465 4.681 -8.973 9.588 1.00 0.00 C ATOM 1169 C PHE A 465 5.855 -9.530 10.361 1.00 0.00 C ATOM 1170 O PHE A 465 6.926 -8.921 10.425 1.00 0.00 O ATOM 1171 CB PHE A 465 4.159 -7.699 10.235 1.00 0.00 C ATOM 1172 CG PHE A 465 3.212 -6.962 9.355 1.00 0.00 C ATOM 1173 CD1 PHE A 465 1.854 -7.047 9.545 1.00 0.00 C ATOM 1174 CD2 PHE A 465 3.692 -6.197 8.319 1.00 0.00 C ATOM 1175 CE1 PHE A 465 0.992 -6.381 8.712 1.00 0.00 C ATOM 1176 CE2 PHE A 465 2.836 -5.524 7.482 1.00 0.00 C ATOM 1177 CZ PHE A 465 1.483 -5.616 7.680 1.00 0.00 C ATOM 0 H PHE A 465 2.786 -9.780 9.997 1.00 0.00 H new ATOM 0 HA PHE A 465 5.034 -8.720 8.588 1.00 0.00 H new ATOM 0 HB2 PHE A 465 3.661 -7.948 11.172 1.00 0.00 H new ATOM 0 HB3 PHE A 465 4.999 -7.051 10.484 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.462 -7.643 10.356 1.00 0.00 H new ATOM 0 HD2 PHE A 465 4.758 -6.124 8.161 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.074 -6.457 8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.227 -4.926 6.672 1.00 0.00 H new ATOM 0 HZ PHE A 465 0.804 -5.089 7.027 1.00 0.00 H new ATOM 1187 N ARG A 466 5.615 -10.669 10.990 1.00 0.00 N ATOM 1188 CA ARG A 466 6.621 -11.433 11.714 1.00 0.00 C ATOM 1189 C ARG A 466 7.827 -11.719 10.802 1.00 0.00 C ATOM 1190 O ARG A 466 8.964 -11.785 11.259 1.00 0.00 O ATOM 1191 CB ARG A 466 5.984 -12.743 12.194 1.00 0.00 C ATOM 1192 CG ARG A 466 6.892 -13.678 12.964 1.00 0.00 C ATOM 1193 CD ARG A 466 6.165 -14.963 13.337 1.00 0.00 C ATOM 1194 NE ARG A 466 5.780 -15.760 12.151 1.00 0.00 N ATOM 1195 CZ ARG A 466 5.064 -16.899 12.183 1.00 0.00 C ATOM 1196 NH1 ARG A 466 4.555 -17.348 13.334 1.00 0.00 N ATOM 1197 NH2 ARG A 466 4.845 -17.569 11.056 1.00 0.00 N ATOM 0 H ARG A 466 4.691 -11.100 11.012 1.00 0.00 H new ATOM 0 HA ARG A 466 6.977 -10.864 12.572 1.00 0.00 H new ATOM 0 HB2 ARG A 466 5.128 -12.499 12.824 1.00 0.00 H new ATOM 0 HB3 ARG A 466 5.598 -13.276 11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 466 7.770 -13.914 12.363 1.00 0.00 H new ATOM 0 HG3 ARG A 466 7.248 -13.182 13.867 1.00 0.00 H new ATOM 0 HD2 ARG A 466 6.805 -15.564 13.983 1.00 0.00 H new ATOM 0 HD3 ARG A 466 5.272 -14.718 13.912 1.00 0.00 H new ATOM 0 HE ARG A 466 6.081 -15.419 11.238 1.00 0.00 H new ATOM 0 HH11 ARG A 466 4.708 -16.826 14.197 1.00 0.00 H new ATOM 0 HH12 ARG A 466 4.013 -18.212 13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 466 5.219 -17.219 10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 466 4.303 -18.433 11.073 1.00 0.00 H new ATOM 1211 N ASN A 467 7.565 -11.864 9.521 1.00 0.00 N ATOM 1212 CA ASN A 467 8.608 -12.077 8.540 1.00 0.00 C ATOM 1213 C ASN A 467 8.304 -11.243 7.310 1.00 0.00 C ATOM 1214 O ASN A 467 7.455 -11.604 6.489 1.00 0.00 O ATOM 1215 CB ASN A 467 8.733 -13.563 8.183 1.00 0.00 C ATOM 1216 CG ASN A 467 9.800 -13.844 7.136 1.00 0.00 C ATOM 1217 OD1 ASN A 467 10.783 -13.119 7.011 1.00 0.00 O ATOM 1218 ND2 ASN A 467 9.627 -14.901 6.399 1.00 0.00 N ATOM 0 H ASN A 467 6.623 -11.838 9.130 1.00 0.00 H new ATOM 0 HA ASN A 467 9.566 -11.766 8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 467 8.963 -14.128 9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 467 7.772 -13.924 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 467 10.319 -15.149 5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 467 8.799 -15.483 6.528 1.00 0.00 H new ATOM 1225 N SER A 468 8.929 -10.092 7.224 1.00 0.00 N ATOM 1226 CA SER A 468 8.700 -9.173 6.132 1.00 0.00 C ATOM 1227 C SER A 468 9.956 -8.328 5.829 1.00 0.00 C ATOM 1228 O SER A 468 10.944 -8.354 6.575 1.00 0.00 O ATOM 1229 CB SER A 468 7.512 -8.256 6.461 1.00 0.00 C ATOM 1230 OG SER A 468 6.323 -8.999 6.695 1.00 0.00 O ATOM 0 H SER A 468 9.611 -9.766 7.909 1.00 0.00 H new ATOM 0 HA SER A 468 8.471 -9.758 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 468 7.747 -7.658 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 468 7.350 -7.560 5.638 1.00 0.00 H new ATOM 0 HG SER A 468 5.545 -8.463 6.433 1.00 0.00 H new ATOM 1236 N ARG A 469 9.894 -7.615 4.725 1.00 0.00 N ATOM 1237 CA ARG A 469 10.946 -6.717 4.229 1.00 0.00 C ATOM 1238 C ARG A 469 10.406 -5.318 4.327 1.00 0.00 C ATOM 1239 O ARG A 469 9.196 -5.135 4.125 1.00 0.00 O ATOM 1240 CB ARG A 469 11.298 -7.039 2.777 1.00 0.00 C ATOM 1241 CG ARG A 469 11.669 -8.482 2.555 1.00 0.00 C ATOM 1242 CD ARG A 469 12.023 -8.774 1.113 1.00 0.00 C ATOM 1243 NE ARG A 469 12.490 -10.155 0.957 1.00 0.00 N ATOM 1244 CZ ARG A 469 12.871 -10.735 -0.183 1.00 0.00 C ATOM 1245 NH1 ARG A 469 12.863 -10.050 -1.315 1.00 0.00 N ATOM 1246 NH2 ARG A 469 13.262 -12.001 -0.184 1.00 0.00 N ATOM 0 H ARG A 469 9.078 -7.638 4.113 1.00 0.00 H new ATOM 0 HA ARG A 469 11.856 -6.834 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 469 10.449 -6.788 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 469 12.128 -6.406 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 469 12.515 -8.738 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 469 10.837 -9.118 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 469 11.152 -8.607 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 469 12.798 -8.084 0.778 1.00 0.00 H new ATOM 0 HE ARG A 469 12.527 -10.727 1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 469 12.565 -9.075 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 469 13.155 -10.497 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 469 13.272 -12.532 0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 469 13.553 -12.444 -1.055 1.00 0.00 H new ATOM 1260 N MET A 470 11.216 -4.328 4.679 1.00 0.00 N ATOM 1261 CA MET A 470 10.615 -3.042 4.898 1.00 0.00 C ATOM 1262 C MET A 470 10.770 -2.163 3.704 1.00 0.00 C ATOM 1263 O MET A 470 11.691 -2.324 2.935 1.00 0.00 O ATOM 1264 CB MET A 470 11.215 -2.361 6.081 1.00 0.00 C ATOM 1265 CG MET A 470 10.983 -3.039 7.386 1.00 0.00 C ATOM 1266 SD MET A 470 11.406 -1.969 8.771 1.00 0.00 S ATOM 1267 CE MET A 470 10.282 -0.593 8.473 1.00 0.00 C ATOM 0 H MET A 470 12.226 -4.390 4.810 1.00 0.00 H new ATOM 0 HA MET A 470 9.555 -3.215 5.081 1.00 0.00 H new ATOM 0 HB2 MET A 470 12.290 -2.271 5.922 1.00 0.00 H new ATOM 0 HB3 MET A 470 10.815 -1.349 6.139 1.00 0.00 H new ATOM 0 HG2 MET A 470 9.937 -3.337 7.461 1.00 0.00 H new ATOM 0 HG3 MET A 470 11.578 -3.951 7.434 1.00 0.00 H new ATOM 0 HE1 MET A 470 9.941 -0.189 9.426 1.00 0.00 H new ATOM 0 HE2 MET A 470 10.800 0.185 7.913 1.00 0.00 H new ATOM 0 HE3 MET A 470 9.423 -0.942 7.899 1.00 0.00 H new ATOM 1277 N VAL A 471 9.844 -1.261 3.542 1.00 0.00 N ATOM 1278 CA VAL A 471 9.839 -0.335 2.443 1.00 0.00 C ATOM 1279 C VAL A 471 9.521 1.070 2.949 1.00 0.00 C ATOM 1280 O VAL A 471 8.903 1.240 4.022 1.00 0.00 O ATOM 1281 CB VAL A 471 8.779 -0.716 1.358 1.00 0.00 C ATOM 1282 CG1 VAL A 471 8.997 -2.108 0.793 1.00 0.00 C ATOM 1283 CG2 VAL A 471 7.389 -0.586 1.901 1.00 0.00 C ATOM 0 H VAL A 471 9.057 -1.146 4.181 1.00 0.00 H new ATOM 0 HA VAL A 471 10.830 -0.371 1.991 1.00 0.00 H new ATOM 0 HB VAL A 471 8.907 -0.011 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 471 8.234 -2.321 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 471 9.983 -2.163 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 471 8.931 -2.841 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 471 6.670 -0.856 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 471 7.269 -1.250 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 471 7.215 0.444 2.214 1.00 0.00 H new ATOM 1293 N GLN A 472 9.957 2.042 2.208 1.00 0.00 N ATOM 1294 CA GLN A 472 9.645 3.420 2.445 1.00 0.00 C ATOM 1295 C GLN A 472 9.111 3.994 1.161 1.00 0.00 C ATOM 1296 O GLN A 472 9.708 3.814 0.099 1.00 0.00 O ATOM 1297 CB GLN A 472 10.856 4.245 2.898 1.00 0.00 C ATOM 1298 CG GLN A 472 11.475 3.836 4.221 1.00 0.00 C ATOM 1299 CD GLN A 472 12.547 4.815 4.669 1.00 0.00 C ATOM 1300 OE1 GLN A 472 13.215 5.452 3.848 1.00 0.00 O ATOM 1301 NE2 GLN A 472 12.722 4.948 5.957 1.00 0.00 N ATOM 0 H GLN A 472 10.558 1.895 1.397 1.00 0.00 H new ATOM 0 HA GLN A 472 8.916 3.467 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 472 11.623 4.185 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 472 10.555 5.290 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 472 10.698 3.775 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 472 11.908 2.840 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 472 12.153 4.406 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 472 13.428 5.593 6.312 1.00 0.00 H new ATOM 1310 N PHE A 473 8.004 4.635 1.253 1.00 0.00 N ATOM 1311 CA PHE A 473 7.359 5.250 0.133 1.00 0.00 C ATOM 1312 C PHE A 473 7.381 6.745 0.289 1.00 0.00 C ATOM 1313 O PHE A 473 6.835 7.299 1.269 1.00 0.00 O ATOM 1314 CB PHE A 473 5.907 4.785 0.012 1.00 0.00 C ATOM 1315 CG PHE A 473 5.684 3.471 -0.647 1.00 0.00 C ATOM 1316 CD1 PHE A 473 6.012 2.279 -0.021 1.00 0.00 C ATOM 1317 CD2 PHE A 473 5.113 3.426 -1.899 1.00 0.00 C ATOM 1318 CE1 PHE A 473 5.770 1.082 -0.650 1.00 0.00 C ATOM 1319 CE2 PHE A 473 4.874 2.229 -2.522 1.00 0.00 C ATOM 1320 CZ PHE A 473 5.203 1.057 -1.901 1.00 0.00 C ATOM 0 H PHE A 473 7.500 4.754 2.132 1.00 0.00 H new ATOM 0 HA PHE A 473 7.899 4.959 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 473 5.478 4.742 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 473 5.351 5.542 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 473 6.458 2.291 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 473 4.850 4.347 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 473 6.027 0.155 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 473 4.425 2.212 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 473 5.018 0.113 -2.393 1.00 0.00 H new ATOM 1330 N HIS A 474 8.024 7.398 -0.624 1.00 0.00 N ATOM 1331 CA HIS A 474 8.013 8.822 -0.646 1.00 0.00 C ATOM 1332 C HIS A 474 7.449 9.254 -1.972 1.00 0.00 C ATOM 1333 O HIS A 474 7.931 8.831 -3.029 1.00 0.00 O ATOM 1334 CB HIS A 474 9.417 9.411 -0.423 1.00 0.00 C ATOM 1335 CG HIS A 474 9.428 10.918 -0.328 1.00 0.00 C ATOM 1336 ND1 HIS A 474 9.969 11.750 -1.280 1.00 0.00 N ATOM 1337 CD2 HIS A 474 8.946 11.733 0.646 1.00 0.00 C ATOM 1338 CE1 HIS A 474 9.808 13.009 -0.869 1.00 0.00 C ATOM 1339 NE2 HIS A 474 9.186 13.056 0.301 1.00 0.00 N ATOM 0 H HIS A 474 8.567 6.962 -1.369 1.00 0.00 H new ATOM 0 HA HIS A 474 7.395 9.196 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 474 9.837 8.994 0.492 1.00 0.00 H new ATOM 0 HB3 HIS A 474 10.067 9.101 -1.242 1.00 0.00 H new ATOM 0 HD2 HIS A 474 8.453 11.403 1.548 1.00 0.00 H new ATOM 0 HE1 HIS A 474 10.141 13.877 -1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 474 8.937 13.889 0.835 1.00 0.00 H new ATOM 1347 N PHE A 475 6.416 10.036 -1.927 1.00 0.00 N ATOM 1348 CA PHE A 475 5.800 10.502 -3.125 1.00 0.00 C ATOM 1349 C PHE A 475 6.558 11.673 -3.690 1.00 0.00 C ATOM 1350 O PHE A 475 7.205 12.415 -2.963 1.00 0.00 O ATOM 1351 CB PHE A 475 4.310 10.795 -2.928 1.00 0.00 C ATOM 1352 CG PHE A 475 3.478 9.540 -2.772 1.00 0.00 C ATOM 1353 CD1 PHE A 475 2.727 9.056 -3.833 1.00 0.00 C ATOM 1354 CD2 PHE A 475 3.464 8.837 -1.580 1.00 0.00 C ATOM 1355 CE1 PHE A 475 1.981 7.895 -3.703 1.00 0.00 C ATOM 1356 CE2 PHE A 475 2.720 7.681 -1.446 1.00 0.00 C ATOM 1357 CZ PHE A 475 1.979 7.208 -2.504 1.00 0.00 C ATOM 0 H PHE A 475 5.981 10.366 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 475 5.846 9.702 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 475 4.182 11.422 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 475 3.941 11.366 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 475 2.723 9.590 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 475 4.043 9.197 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.402 7.528 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 475 2.720 7.147 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.398 6.304 -2.398 1.00 0.00 H new ATOM 1429 N LEU A 480 0.354 18.168 -4.850 1.00 0.00 N ATOM 1430 CA LEU A 480 0.194 18.188 -3.411 1.00 0.00 C ATOM 1431 C LEU A 480 -1.255 18.034 -2.992 1.00 0.00 C ATOM 1432 O LEU A 480 -1.542 17.413 -1.981 1.00 0.00 O ATOM 1433 CB LEU A 480 0.787 19.472 -2.839 1.00 0.00 C ATOM 1434 CG LEU A 480 2.281 19.692 -3.108 1.00 0.00 C ATOM 1435 CD1 LEU A 480 2.707 21.067 -2.649 1.00 0.00 C ATOM 1436 CD2 LEU A 480 3.113 18.627 -2.407 1.00 0.00 C ATOM 0 HA LEU A 480 0.733 17.331 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 480 0.235 20.319 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 480 0.626 19.476 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 480 2.447 19.615 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 480 3.770 21.204 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 480 2.136 21.823 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 480 2.523 21.167 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 480 4.170 18.799 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 480 2.937 18.676 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 480 2.829 17.642 -2.777 1.00 0.00 H new ATOM 1448 N GLU A 481 -2.169 18.563 -3.777 1.00 0.00 N ATOM 1449 CA GLU A 481 -3.572 18.494 -3.428 1.00 0.00 C ATOM 1450 C GLU A 481 -4.121 17.076 -3.551 1.00 0.00 C ATOM 1451 O GLU A 481 -4.944 16.653 -2.736 1.00 0.00 O ATOM 1452 CB GLU A 481 -4.396 19.507 -4.199 1.00 0.00 C ATOM 1453 CG GLU A 481 -3.921 20.924 -3.966 1.00 0.00 C ATOM 1454 CD GLU A 481 -4.837 21.955 -4.537 1.00 0.00 C ATOM 1455 OE1 GLU A 481 -5.767 22.383 -3.832 1.00 0.00 O ATOM 1456 OE2 GLU A 481 -4.641 22.380 -5.697 1.00 0.00 O ATOM 0 H GLU A 481 -1.968 19.042 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 481 -3.656 18.765 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -4.346 19.279 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -5.442 19.423 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -3.817 21.094 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -2.931 21.045 -4.405 1.00 0.00 H new ATOM 1463 N SER A 482 -3.659 16.335 -4.544 1.00 0.00 N ATOM 1464 CA SER A 482 -4.037 14.939 -4.678 1.00 0.00 C ATOM 1465 C SER A 482 -3.489 14.139 -3.487 1.00 0.00 C ATOM 1466 O SER A 482 -4.174 13.253 -2.945 1.00 0.00 O ATOM 1467 CB SER A 482 -3.518 14.375 -6.001 1.00 0.00 C ATOM 1468 OG SER A 482 -4.003 15.146 -7.097 1.00 0.00 O ATOM 0 H SER A 482 -3.024 16.675 -5.266 1.00 0.00 H new ATOM 0 HA SER A 482 -5.124 14.858 -4.681 1.00 0.00 H new ATOM 0 HB2 SER A 482 -2.428 14.377 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 482 -3.835 13.338 -6.110 1.00 0.00 H new ATOM 0 HG SER A 482 -3.661 14.773 -7.936 1.00 0.00 H new ATOM 1474 N LEU A 483 -2.275 14.499 -3.062 1.00 0.00 N ATOM 1475 CA LEU A 483 -1.639 13.890 -1.904 1.00 0.00 C ATOM 1476 C LEU A 483 -2.394 14.224 -0.630 1.00 0.00 C ATOM 1477 O LEU A 483 -2.622 13.357 0.181 1.00 0.00 O ATOM 1478 CB LEU A 483 -0.177 14.334 -1.776 1.00 0.00 C ATOM 1479 CG LEU A 483 0.792 13.785 -2.821 1.00 0.00 C ATOM 1480 CD1 LEU A 483 2.140 14.461 -2.686 1.00 0.00 C ATOM 1481 CD2 LEU A 483 0.960 12.284 -2.643 1.00 0.00 C ATOM 0 H LEU A 483 -1.711 15.219 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 483 -1.661 12.810 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 483 -0.145 15.423 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 483 0.183 14.043 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 483 0.384 13.986 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 483 2.824 14.062 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 483 2.025 15.535 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 483 2.543 14.273 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 483 1.653 11.904 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 483 1.354 12.077 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 483 -0.006 11.793 -2.760 1.00 0.00 H new ATOM 1493 N LYS A 484 -2.826 15.474 -0.505 1.00 0.00 N ATOM 1494 CA LYS A 484 -3.543 15.960 0.685 1.00 0.00 C ATOM 1495 C LYS A 484 -4.764 15.096 0.998 1.00 0.00 C ATOM 1496 O LYS A 484 -5.007 14.757 2.156 1.00 0.00 O ATOM 1497 CB LYS A 484 -3.961 17.430 0.485 1.00 0.00 C ATOM 1498 CG LYS A 484 -4.778 18.032 1.627 1.00 0.00 C ATOM 1499 CD LYS A 484 -5.075 19.500 1.367 1.00 0.00 C ATOM 1500 CE LYS A 484 -5.936 20.121 2.466 1.00 0.00 C ATOM 1501 NZ LYS A 484 -7.307 19.551 2.504 1.00 0.00 N ATOM 0 H LYS A 484 -2.692 16.186 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 484 -2.866 15.892 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 484 -3.063 18.031 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 484 -4.541 17.505 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 484 -5.712 17.482 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 484 -4.232 17.928 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 484 -4.137 20.050 1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 484 -5.584 19.601 0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 484 -5.455 19.966 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 484 -5.998 21.198 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 484 -7.891 20.095 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 484 -7.729 19.599 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 484 -7.262 18.559 2.813 1.00 0.00 H new ATOM 1515 N GLY A 485 -5.487 14.709 -0.038 1.00 0.00 N ATOM 1516 CA GLY A 485 -6.643 13.855 0.140 1.00 0.00 C ATOM 1517 C GLY A 485 -6.258 12.499 0.708 1.00 0.00 C ATOM 1518 O GLY A 485 -6.861 12.030 1.674 1.00 0.00 O ATOM 0 H GLY A 485 -5.294 14.972 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -7.355 14.340 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -7.146 13.719 -0.817 1.00 0.00 H new ATOM 1522 N LEU A 486 -5.221 11.904 0.137 1.00 0.00 N ATOM 1523 CA LEU A 486 -4.730 10.609 0.561 1.00 0.00 C ATOM 1524 C LEU A 486 -4.140 10.688 1.977 1.00 0.00 C ATOM 1525 O LEU A 486 -4.379 9.809 2.816 1.00 0.00 O ATOM 1526 CB LEU A 486 -3.686 10.102 -0.441 1.00 0.00 C ATOM 1527 CG LEU A 486 -3.047 8.753 -0.125 1.00 0.00 C ATOM 1528 CD1 LEU A 486 -4.087 7.641 -0.094 1.00 0.00 C ATOM 1529 CD2 LEU A 486 -1.949 8.433 -1.121 1.00 0.00 C ATOM 0 H LEU A 486 -4.696 12.311 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 486 -5.562 9.905 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 486 -4.156 10.037 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 486 -2.894 10.847 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 486 -2.602 8.820 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 486 -3.599 6.693 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 486 -4.831 7.860 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 486 -4.576 7.573 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 486 -1.507 7.467 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 486 -2.369 8.397 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 486 -1.181 9.205 -1.076 1.00 0.00 H new ATOM 1541 N TYR A 487 -3.398 11.762 2.237 1.00 0.00 N ATOM 1542 CA TYR A 487 -2.783 12.010 3.541 1.00 0.00 C ATOM 1543 C TYR A 487 -3.845 12.130 4.604 1.00 0.00 C ATOM 1544 O TYR A 487 -3.675 11.635 5.710 1.00 0.00 O ATOM 1545 CB TYR A 487 -1.915 13.288 3.536 1.00 0.00 C ATOM 1546 CG TYR A 487 -0.605 13.201 2.757 1.00 0.00 C ATOM 1547 CD1 TYR A 487 0.406 14.124 2.982 1.00 0.00 C ATOM 1548 CD2 TYR A 487 -0.375 12.208 1.813 1.00 0.00 C ATOM 1549 CE1 TYR A 487 1.599 14.060 2.292 1.00 0.00 C ATOM 1550 CE2 TYR A 487 0.807 12.140 1.120 1.00 0.00 C ATOM 1551 CZ TYR A 487 1.791 13.063 1.360 1.00 0.00 C ATOM 1552 OH TYR A 487 2.975 12.988 0.675 1.00 0.00 O ATOM 0 H TYR A 487 -3.205 12.488 1.547 1.00 0.00 H new ATOM 0 HA TYR A 487 -2.135 11.161 3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 487 -2.507 14.105 3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 487 -1.685 13.552 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.256 14.907 3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 487 -1.143 11.474 1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 487 2.376 14.786 2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.962 11.361 0.388 1.00 0.00 H new ATOM 0 HH TYR A 487 2.948 12.228 0.057 1.00 0.00 H new ATOM 1562 N ARG A 488 -4.946 12.771 4.253 1.00 0.00 N ATOM 1563 CA ARG A 488 -6.058 12.929 5.155 1.00 0.00 C ATOM 1564 C ARG A 488 -6.678 11.566 5.438 1.00 0.00 C ATOM 1565 O ARG A 488 -6.927 11.239 6.577 1.00 0.00 O ATOM 1566 CB ARG A 488 -7.086 13.943 4.569 1.00 0.00 C ATOM 1567 CG ARG A 488 -8.286 14.336 5.472 1.00 0.00 C ATOM 1568 CD ARG A 488 -9.348 13.238 5.586 1.00 0.00 C ATOM 1569 NE ARG A 488 -9.881 12.871 4.268 1.00 0.00 N ATOM 1570 CZ ARG A 488 -10.865 11.998 4.032 1.00 0.00 C ATOM 1571 NH1 ARG A 488 -11.492 11.376 5.030 1.00 0.00 N ATOM 1572 NH2 ARG A 488 -11.233 11.769 2.781 1.00 0.00 N ATOM 0 H ARG A 488 -5.088 13.193 3.335 1.00 0.00 H new ATOM 0 HA ARG A 488 -5.715 13.340 6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 488 -6.549 14.854 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 488 -7.482 13.526 3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 488 -7.917 14.579 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 488 -8.749 15.239 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 488 -8.915 12.359 6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 488 -10.161 13.580 6.227 1.00 0.00 H new ATOM 0 HE ARG A 488 -9.461 13.325 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 488 -11.223 11.563 5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 488 -12.241 10.713 4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 488 -10.767 12.256 2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 488 -11.982 11.106 2.583 1.00 0.00 H new ATOM 1586 N ILE A 489 -6.894 10.768 4.394 1.00 0.00 N ATOM 1587 CA ILE A 489 -7.512 9.449 4.557 1.00 0.00 C ATOM 1588 C ILE A 489 -6.640 8.542 5.425 1.00 0.00 C ATOM 1589 O ILE A 489 -7.095 8.010 6.432 1.00 0.00 O ATOM 1590 CB ILE A 489 -7.762 8.748 3.183 1.00 0.00 C ATOM 1591 CG1 ILE A 489 -8.690 9.587 2.307 1.00 0.00 C ATOM 1592 CG2 ILE A 489 -8.348 7.345 3.379 1.00 0.00 C ATOM 1593 CD1 ILE A 489 -8.953 8.986 0.943 1.00 0.00 C ATOM 0 H ILE A 489 -6.653 11.007 3.432 1.00 0.00 H new ATOM 0 HA ILE A 489 -8.473 9.613 5.045 1.00 0.00 H new ATOM 0 HB ILE A 489 -6.800 8.652 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 489 -9.640 9.720 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 489 -8.255 10.578 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 489 -8.512 6.880 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 489 -7.653 6.738 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 489 -9.297 7.418 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 489 -9.620 9.639 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 489 -8.011 8.879 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 489 -9.418 8.007 1.060 1.00 0.00 H new ATOM 1605 N MET A 490 -5.380 8.440 5.084 1.00 0.00 N ATOM 1606 CA MET A 490 -4.489 7.541 5.796 1.00 0.00 C ATOM 1607 C MET A 490 -4.136 8.079 7.172 1.00 0.00 C ATOM 1608 O MET A 490 -4.068 7.328 8.155 1.00 0.00 O ATOM 1609 CB MET A 490 -3.251 7.212 4.965 1.00 0.00 C ATOM 1610 CG MET A 490 -3.603 6.537 3.647 1.00 0.00 C ATOM 1611 SD MET A 490 -2.174 6.009 2.690 1.00 0.00 S ATOM 1612 CE MET A 490 -1.500 4.745 3.750 1.00 0.00 C ATOM 0 H MET A 490 -4.944 8.962 4.324 1.00 0.00 H new ATOM 0 HA MET A 490 -5.021 6.603 5.955 1.00 0.00 H new ATOM 0 HB2 MET A 490 -2.697 8.129 4.764 1.00 0.00 H new ATOM 0 HB3 MET A 490 -2.593 6.561 5.540 1.00 0.00 H new ATOM 0 HG2 MET A 490 -4.231 5.670 3.851 1.00 0.00 H new ATOM 0 HG3 MET A 490 -4.196 7.226 3.045 1.00 0.00 H new ATOM 0 HE1 MET A 490 -1.155 3.907 3.144 1.00 0.00 H new ATOM 0 HE2 MET A 490 -0.662 5.153 4.315 1.00 0.00 H new ATOM 0 HE3 MET A 490 -2.270 4.400 4.440 1.00 0.00 H new ATOM 1622 N GLY A 491 -3.993 9.386 7.259 1.00 0.00 N ATOM 1623 CA GLY A 491 -3.713 10.037 8.520 1.00 0.00 C ATOM 1624 C GLY A 491 -4.895 9.937 9.478 1.00 0.00 C ATOM 1625 O GLY A 491 -4.739 10.068 10.680 1.00 0.00 O ATOM 0 H GLY A 491 -4.067 10.021 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -2.834 9.583 8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -3.475 11.086 8.344 1.00 0.00 H new ATOM 1629 N ASN A 492 -6.068 9.664 8.926 1.00 0.00 N ATOM 1630 CA ASN A 492 -7.323 9.523 9.684 1.00 0.00 C ATOM 1631 C ASN A 492 -7.453 8.092 10.262 1.00 0.00 C ATOM 1632 O ASN A 492 -8.445 7.743 10.900 1.00 0.00 O ATOM 1633 CB ASN A 492 -8.515 9.881 8.749 1.00 0.00 C ATOM 1634 CG ASN A 492 -9.902 9.824 9.377 1.00 0.00 C ATOM 1635 OD1 ASN A 492 -10.369 10.791 9.981 1.00 0.00 O ATOM 1636 ND2 ASN A 492 -10.593 8.730 9.177 1.00 0.00 N ATOM 0 H ASN A 492 -6.187 9.530 7.922 1.00 0.00 H new ATOM 0 HA ASN A 492 -7.326 10.207 10.533 1.00 0.00 H new ATOM 0 HB2 ASN A 492 -8.356 10.887 8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 492 -8.497 9.203 7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 492 -11.549 8.660 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 492 -10.175 7.948 8.673 1.00 0.00 H new ATOM 1643 N GLY A 493 -6.423 7.293 10.085 1.00 0.00 N ATOM 1644 CA GLY A 493 -6.443 5.943 10.612 1.00 0.00 C ATOM 1645 C GLY A 493 -6.790 4.905 9.568 1.00 0.00 C ATOM 1646 O GLY A 493 -7.371 3.852 9.872 1.00 0.00 O ATOM 0 H GLY A 493 -5.570 7.549 9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -5.467 5.710 11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -7.166 5.887 11.426 1.00 0.00 H new ATOM 1650 N PHE A 494 -6.447 5.186 8.344 1.00 0.00 N ATOM 1651 CA PHE A 494 -6.608 4.232 7.284 1.00 0.00 C ATOM 1652 C PHE A 494 -5.255 3.791 6.783 1.00 0.00 C ATOM 1653 O PHE A 494 -4.294 4.564 6.790 1.00 0.00 O ATOM 1654 CB PHE A 494 -7.467 4.763 6.134 1.00 0.00 C ATOM 1655 CG PHE A 494 -8.924 4.893 6.472 1.00 0.00 C ATOM 1656 CD1 PHE A 494 -9.678 3.765 6.723 1.00 0.00 C ATOM 1657 CD2 PHE A 494 -9.540 6.128 6.520 1.00 0.00 C ATOM 1658 CE1 PHE A 494 -11.017 3.860 7.020 1.00 0.00 C ATOM 1659 CE2 PHE A 494 -10.881 6.237 6.816 1.00 0.00 C ATOM 1660 CZ PHE A 494 -11.624 5.099 7.066 1.00 0.00 C ATOM 0 H PHE A 494 -6.049 6.079 8.053 1.00 0.00 H new ATOM 0 HA PHE A 494 -7.141 3.375 7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 494 -7.086 5.738 5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 494 -7.361 4.098 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 494 -9.209 2.793 6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 494 -8.963 7.020 6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 494 -11.593 2.968 7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 494 -11.350 7.209 6.853 1.00 0.00 H new ATOM 0 HZ PHE A 494 -12.676 5.179 7.297 1.00 0.00 H new ATOM 1670 N ALA A 495 -5.183 2.577 6.366 1.00 0.00 N ATOM 1671 CA ALA A 495 -3.982 2.005 5.848 1.00 0.00 C ATOM 1672 C ALA A 495 -4.244 1.608 4.426 1.00 0.00 C ATOM 1673 O ALA A 495 -5.405 1.462 4.028 1.00 0.00 O ATOM 1674 CB ALA A 495 -3.586 0.789 6.669 1.00 0.00 C ATOM 0 H ALA A 495 -5.975 1.934 6.374 1.00 0.00 H new ATOM 0 HA ALA A 495 -3.164 2.724 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 495 -2.669 0.360 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 495 -3.422 1.087 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 495 -4.383 0.046 6.627 1.00 0.00 H new ATOM 1680 N GLY A 496 -3.213 1.445 3.662 1.00 0.00 N ATOM 1681 CA GLY A 496 -3.384 1.081 2.299 1.00 0.00 C ATOM 1682 C GLY A 496 -2.734 -0.228 2.018 1.00 0.00 C ATOM 1683 O GLY A 496 -1.534 -0.361 2.152 1.00 0.00 O ATOM 0 H GLY A 496 -2.245 1.559 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -4.447 1.023 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -2.957 1.850 1.656 1.00 0.00 H new ATOM 1687 N CYS A 497 -3.501 -1.206 1.669 1.00 0.00 N ATOM 1688 CA CYS A 497 -2.926 -2.474 1.341 1.00 0.00 C ATOM 1689 C CYS A 497 -2.587 -2.481 -0.126 1.00 0.00 C ATOM 1690 O CYS A 497 -3.443 -2.172 -0.973 1.00 0.00 O ATOM 1691 CB CYS A 497 -3.860 -3.626 1.685 1.00 0.00 C ATOM 1692 SG CYS A 497 -3.135 -5.257 1.390 1.00 0.00 S ATOM 0 H CYS A 497 -4.518 -1.157 1.603 1.00 0.00 H new ATOM 0 HA CYS A 497 -2.023 -2.617 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 497 -4.147 -3.549 2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 497 -4.773 -3.531 1.097 1.00 0.00 H new ATOM 0 HG CYS A 497 -3.890 -5.926 0.570 1.00 0.00 H new ATOM 1698 N VAL A 498 -1.371 -2.831 -0.429 1.00 0.00 N ATOM 1699 CA VAL A 498 -0.894 -2.830 -1.769 1.00 0.00 C ATOM 1700 C VAL A 498 -0.903 -4.237 -2.301 1.00 0.00 C ATOM 1701 O VAL A 498 -0.258 -5.146 -1.752 1.00 0.00 O ATOM 1702 CB VAL A 498 0.558 -2.266 -1.868 1.00 0.00 C ATOM 1703 CG1 VAL A 498 1.067 -2.287 -3.313 1.00 0.00 C ATOM 1704 CG2 VAL A 498 0.639 -0.858 -1.297 1.00 0.00 C ATOM 0 H VAL A 498 -0.680 -3.128 0.260 1.00 0.00 H new ATOM 0 HA VAL A 498 -1.552 -2.188 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 498 1.201 -2.915 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 498 2.081 -1.888 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 498 1.068 -3.312 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 498 0.415 -1.676 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 498 1.662 -0.490 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 498 -0.029 -0.201 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 498 0.342 -0.873 -0.248 1.00 0.00 H new ATOM 1714 N HIS A 499 -1.634 -4.402 -3.342 1.00 0.00 N ATOM 1715 CA HIS A 499 -1.708 -5.626 -4.045 1.00 0.00 C ATOM 1716 C HIS A 499 -1.093 -5.393 -5.402 1.00 0.00 C ATOM 1717 O HIS A 499 -1.328 -4.336 -6.051 1.00 0.00 O ATOM 1718 CB HIS A 499 -3.163 -6.118 -4.186 1.00 0.00 C ATOM 1719 CG HIS A 499 -3.794 -6.666 -2.915 1.00 0.00 C ATOM 1720 ND1 HIS A 499 -3.901 -7.950 -2.480 1.00 0.00 N flip ATOM 1721 CD2 HIS A 499 -4.465 -5.900 -1.980 1.00 0.00 C flip ATOM 1722 CE1 HIS A 499 -4.639 -7.983 -1.305 1.00 0.00 C flip ATOM 1723 NE2 HIS A 499 -4.960 -6.734 -1.041 1.00 0.00 N flip ATOM 0 H HIS A 499 -2.215 -3.664 -3.740 1.00 0.00 H new ATOM 0 HA HIS A 499 -1.173 -6.403 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 499 -3.774 -5.291 -4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 499 -3.193 -6.895 -4.950 1.00 0.00 H new ATOM 0 HD1 HIS A 499 -3.500 -8.764 -2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 499 -4.574 -4.826 -1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 499 -4.898 -8.856 -0.725 1.00 0.00 H new ATOM 1731 N PHE A 500 -0.273 -6.303 -5.802 1.00 0.00 N ATOM 1732 CA PHE A 500 0.396 -6.211 -7.063 1.00 0.00 C ATOM 1733 C PHE A 500 -0.520 -6.750 -8.151 1.00 0.00 C ATOM 1734 O PHE A 500 -1.116 -7.806 -7.976 1.00 0.00 O ATOM 1735 CB PHE A 500 1.710 -7.009 -7.026 1.00 0.00 C ATOM 1736 CG PHE A 500 2.701 -6.528 -5.988 1.00 0.00 C ATOM 1737 CD1 PHE A 500 3.615 -5.549 -6.292 1.00 0.00 C ATOM 1738 CD2 PHE A 500 2.709 -7.055 -4.711 1.00 0.00 C ATOM 1739 CE1 PHE A 500 4.515 -5.101 -5.352 1.00 0.00 C ATOM 1740 CE2 PHE A 500 3.611 -6.613 -3.764 1.00 0.00 C ATOM 1741 CZ PHE A 500 4.512 -5.632 -4.085 1.00 0.00 C ATOM 0 H PHE A 500 -0.043 -7.138 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 500 0.635 -5.169 -7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 500 1.480 -8.057 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 500 2.179 -6.961 -8.009 1.00 0.00 H new ATOM 0 HD1 PHE A 500 3.628 -5.124 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 500 1.998 -7.825 -4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 500 5.225 -4.330 -5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 500 3.606 -7.040 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 500 5.216 -5.278 -3.346 1.00 0.00 H new ATOM 1751 N PRO A 501 -0.680 -6.015 -9.284 1.00 0.00 N ATOM 1752 CA PRO A 501 -1.495 -6.464 -10.452 1.00 0.00 C ATOM 1753 C PRO A 501 -0.987 -7.735 -11.136 1.00 0.00 C ATOM 1754 O PRO A 501 -1.535 -8.192 -12.145 1.00 0.00 O ATOM 1755 CB PRO A 501 -1.482 -5.278 -11.408 1.00 0.00 C ATOM 1756 CG PRO A 501 -1.131 -4.116 -10.555 1.00 0.00 C ATOM 1757 CD PRO A 501 -0.209 -4.638 -9.480 1.00 0.00 C ATOM 0 HA PRO A 501 -2.495 -6.745 -10.122 1.00 0.00 H new ATOM 0 HB2 PRO A 501 -0.753 -5.419 -12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 501 -2.453 -5.142 -11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 501 -0.642 -3.338 -11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 501 -2.025 -3.672 -10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 501 0.835 -4.609 -9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 501 -0.283 -4.051 -8.564 1.00 0.00 H new ATOM 1846 N VAL A 508 4.487 -13.020 -6.101 1.00 0.00 N ATOM 1847 CA VAL A 508 4.903 -11.639 -6.259 1.00 0.00 C ATOM 1848 C VAL A 508 4.873 -10.982 -4.871 1.00 0.00 C ATOM 1849 O VAL A 508 5.504 -9.936 -4.643 1.00 0.00 O ATOM 1850 CB VAL A 508 3.964 -10.876 -7.243 1.00 0.00 C ATOM 1851 CG1 VAL A 508 4.488 -9.471 -7.540 1.00 0.00 C ATOM 1852 CG2 VAL A 508 3.789 -11.665 -8.535 1.00 0.00 C ATOM 0 HA VAL A 508 5.907 -11.601 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 508 2.992 -10.773 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 508 3.810 -8.968 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 508 4.551 -8.902 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 508 5.478 -9.540 -7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 508 3.131 -11.117 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 508 4.760 -11.805 -9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 508 3.351 -12.638 -8.311 1.00 0.00 H new ATOM 1862 N ARG A 509 4.166 -11.679 -3.934 1.00 0.00 N ATOM 1863 CA ARG A 509 4.002 -11.285 -2.511 1.00 0.00 C ATOM 1864 C ARG A 509 3.014 -10.140 -2.407 1.00 0.00 C ATOM 1865 O ARG A 509 2.438 -9.749 -3.425 1.00 0.00 O ATOM 1866 CB ARG A 509 5.360 -10.936 -1.875 1.00 0.00 C ATOM 1867 CG ARG A 509 6.357 -12.069 -1.978 1.00 0.00 C ATOM 1868 CD ARG A 509 7.742 -11.662 -1.560 1.00 0.00 C ATOM 1869 NE ARG A 509 8.682 -12.792 -1.665 1.00 0.00 N ATOM 1870 CZ ARG A 509 9.867 -12.762 -2.294 1.00 0.00 C ATOM 1871 NH1 ARG A 509 10.180 -11.741 -3.099 1.00 0.00 N ATOM 1872 NH2 ARG A 509 10.706 -13.787 -2.165 1.00 0.00 N ATOM 0 H ARG A 509 3.685 -12.550 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 509 3.601 -12.129 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 509 5.769 -10.051 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 509 5.211 -10.682 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 509 6.023 -12.899 -1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 509 6.384 -12.432 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 509 8.087 -10.839 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 509 7.722 -11.296 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 509 8.409 -13.670 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 509 9.516 -10.979 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 509 11.082 -11.724 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 509 10.447 -14.589 -1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 509 11.608 -13.770 -2.640 1.00 0.00 H new ATOM 1886 N VAL A 510 2.756 -9.629 -1.205 1.00 0.00 N ATOM 1887 CA VAL A 510 1.857 -8.472 -1.079 1.00 0.00 C ATOM 1888 C VAL A 510 2.414 -7.501 -0.084 1.00 0.00 C ATOM 1889 O VAL A 510 3.256 -7.868 0.686 1.00 0.00 O ATOM 1890 CB VAL A 510 0.359 -8.809 -0.783 1.00 0.00 C ATOM 1891 CG1 VAL A 510 -0.345 -9.366 -2.012 1.00 0.00 C ATOM 1892 CG2 VAL A 510 0.221 -9.776 0.353 1.00 0.00 C ATOM 0 H VAL A 510 3.140 -9.980 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 510 1.824 -8.016 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 510 -0.117 -7.870 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 510 -1.384 -9.588 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 510 -0.311 -8.630 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 510 0.155 -10.279 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 510 -0.835 -9.984 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 510 0.738 -10.703 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 510 0.659 -9.345 1.253 1.00 0.00 H new ATOM 1902 N LEU A 511 1.949 -6.279 -0.087 1.00 0.00 N ATOM 1903 CA LEU A 511 2.587 -5.236 0.697 1.00 0.00 C ATOM 1904 C LEU A 511 1.576 -4.365 1.474 1.00 0.00 C ATOM 1905 O LEU A 511 0.424 -4.220 1.076 1.00 0.00 O ATOM 1906 CB LEU A 511 3.458 -4.411 -0.286 1.00 0.00 C ATOM 1907 CG LEU A 511 3.947 -3.029 0.133 1.00 0.00 C ATOM 1908 CD1 LEU A 511 4.950 -3.106 1.260 1.00 0.00 C ATOM 1909 CD2 LEU A 511 4.549 -2.328 -1.062 1.00 0.00 C ATOM 0 H LEU A 511 1.134 -5.975 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 511 3.207 -5.676 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 511 4.336 -5.010 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 511 2.889 -4.292 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 511 3.093 -2.461 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 511 5.273 -2.100 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.489 -3.582 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.812 -3.691 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.900 -1.339 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.388 -2.912 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.795 -2.226 -1.842 1.00 0.00 H new ATOM 1921 N MET A 512 2.006 -3.849 2.614 1.00 0.00 N ATOM 1922 CA MET A 512 1.211 -2.919 3.418 1.00 0.00 C ATOM 1923 C MET A 512 1.818 -1.526 3.333 1.00 0.00 C ATOM 1924 O MET A 512 3.030 -1.386 3.331 1.00 0.00 O ATOM 1925 CB MET A 512 1.161 -3.384 4.884 1.00 0.00 C ATOM 1926 CG MET A 512 0.572 -2.365 5.871 1.00 0.00 C ATOM 1927 SD MET A 512 -1.125 -1.856 5.494 1.00 0.00 S ATOM 1928 CE MET A 512 -2.013 -3.391 5.712 1.00 0.00 C ATOM 0 H MET A 512 2.920 -4.061 3.014 1.00 0.00 H new ATOM 0 HA MET A 512 0.193 -2.894 3.029 1.00 0.00 H new ATOM 0 HB2 MET A 512 0.574 -4.301 4.938 1.00 0.00 H new ATOM 0 HB3 MET A 512 2.172 -3.634 5.204 1.00 0.00 H new ATOM 0 HG2 MET A 512 0.596 -2.792 6.874 1.00 0.00 H new ATOM 0 HG3 MET A 512 1.209 -1.481 5.886 1.00 0.00 H new ATOM 0 HE1 MET A 512 -2.994 -3.186 6.141 1.00 0.00 H new ATOM 0 HE2 MET A 512 -2.135 -3.881 4.746 1.00 0.00 H new ATOM 0 HE3 MET A 512 -1.453 -4.043 6.382 1.00 0.00 H new ATOM 1938 N LEU A 513 0.984 -0.519 3.257 1.00 0.00 N ATOM 1939 CA LEU A 513 1.425 0.852 3.179 1.00 0.00 C ATOM 1940 C LEU A 513 0.772 1.672 4.285 1.00 0.00 C ATOM 1941 O LEU A 513 -0.456 1.716 4.410 1.00 0.00 O ATOM 1942 CB LEU A 513 1.084 1.429 1.798 1.00 0.00 C ATOM 1943 CG LEU A 513 1.549 2.851 1.515 1.00 0.00 C ATOM 1944 CD1 LEU A 513 3.045 2.933 1.606 1.00 0.00 C ATOM 1945 CD2 LEU A 513 1.082 3.310 0.148 1.00 0.00 C ATOM 0 H LEU A 513 -0.030 -0.629 3.247 1.00 0.00 H new ATOM 0 HA LEU A 513 2.506 0.893 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 513 1.514 0.774 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.002 1.394 1.673 1.00 0.00 H new ATOM 0 HG LEU A 513 1.111 3.510 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 513 3.367 3.954 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 513 3.365 2.645 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 513 3.491 2.259 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 513 1.426 4.329 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 513 1.490 2.649 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -0.007 3.283 0.107 1.00 0.00 H new ATOM 1957 N LEU A 514 1.592 2.290 5.093 1.00 0.00 N ATOM 1958 CA LEU A 514 1.145 3.100 6.204 1.00 0.00 C ATOM 1959 C LEU A 514 1.774 4.475 6.132 1.00 0.00 C ATOM 1960 O LEU A 514 2.951 4.599 5.818 1.00 0.00 O ATOM 1961 CB LEU A 514 1.574 2.437 7.501 1.00 0.00 C ATOM 1962 CG LEU A 514 0.899 1.125 7.855 1.00 0.00 C ATOM 1963 CD1 LEU A 514 1.667 0.446 8.963 1.00 0.00 C ATOM 1964 CD2 LEU A 514 -0.520 1.389 8.314 1.00 0.00 C ATOM 0 H LEU A 514 2.607 2.246 4.999 1.00 0.00 H new ATOM 0 HA LEU A 514 0.060 3.195 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 514 2.649 2.264 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 514 1.399 3.140 8.316 1.00 0.00 H new ATOM 0 HG LEU A 514 0.881 0.481 6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 514 1.182 -0.496 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 514 2.687 0.251 8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 514 1.687 1.092 9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -1.002 0.445 8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -0.504 2.035 9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -1.076 1.877 7.514 1.00 0.00 H new ATOM 1976 N TYR A 515 1.016 5.497 6.425 1.00 0.00 N ATOM 1977 CA TYR A 515 1.560 6.834 6.419 1.00 0.00 C ATOM 1978 C TYR A 515 2.012 7.201 7.809 1.00 0.00 C ATOM 1979 O TYR A 515 1.246 7.102 8.766 1.00 0.00 O ATOM 1980 CB TYR A 515 0.546 7.873 5.893 1.00 0.00 C ATOM 1981 CG TYR A 515 1.079 9.307 5.887 1.00 0.00 C ATOM 1982 CD1 TYR A 515 2.262 9.625 5.228 1.00 0.00 C ATOM 1983 CD2 TYR A 515 0.398 10.334 6.532 1.00 0.00 C ATOM 1984 CE1 TYR A 515 2.756 10.915 5.209 1.00 0.00 C ATOM 1985 CE2 TYR A 515 0.883 11.634 6.518 1.00 0.00 C ATOM 1986 CZ TYR A 515 2.071 11.916 5.853 1.00 0.00 C ATOM 1987 OH TYR A 515 2.573 13.211 5.822 1.00 0.00 O ATOM 0 H TYR A 515 0.028 5.434 6.669 1.00 0.00 H new ATOM 0 HA TYR A 515 2.412 6.845 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 515 0.253 7.600 4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 515 -0.354 7.832 6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 515 2.808 8.844 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 515 -0.523 10.116 7.052 1.00 0.00 H new ATOM 0 HE1 TYR A 515 3.677 11.135 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 515 0.341 12.422 7.020 1.00 0.00 H new ATOM 0 HH TYR A 515 1.975 13.806 6.322 1.00 0.00 H new ATOM 1997 N SER A 516 3.249 7.578 7.931 1.00 0.00 N ATOM 1998 CA SER A 516 3.758 8.019 9.177 1.00 0.00 C ATOM 1999 C SER A 516 3.928 9.536 9.087 1.00 0.00 C ATOM 2000 O SER A 516 4.803 10.049 8.342 1.00 0.00 O ATOM 2001 CB SER A 516 5.079 7.309 9.436 1.00 0.00 C ATOM 2002 OG SER A 516 4.903 5.896 9.301 1.00 0.00 O ATOM 0 H SER A 516 3.925 7.586 7.167 1.00 0.00 H new ATOM 0 HA SER A 516 3.089 7.788 10.006 1.00 0.00 H new ATOM 0 HB2 SER A 516 5.835 7.660 8.733 1.00 0.00 H new ATOM 0 HB3 SER A 516 5.440 7.546 10.437 1.00 0.00 H new ATOM 0 HG SER A 516 5.756 5.443 9.467 1.00 0.00 H new ATOM 2008 N SER A 517 3.087 10.233 9.828 1.00 0.00 N ATOM 2009 CA SER A 517 2.993 11.677 9.802 1.00 0.00 C ATOM 2010 C SER A 517 4.224 12.372 10.386 1.00 0.00 C ATOM 2011 O SER A 517 4.644 13.404 9.886 1.00 0.00 O ATOM 2012 CB SER A 517 1.731 12.115 10.539 1.00 0.00 C ATOM 2013 OG SER A 517 0.578 11.446 10.024 1.00 0.00 O ATOM 0 H SER A 517 2.435 9.798 10.480 1.00 0.00 H new ATOM 0 HA SER A 517 2.943 11.981 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 517 1.835 11.902 11.603 1.00 0.00 H new ATOM 0 HB3 SER A 517 1.604 13.193 10.441 1.00 0.00 H new ATOM 0 HG SER A 517 0.600 11.463 9.044 1.00 0.00 H new ATOM 2019 N LYS A 518 4.824 11.791 11.417 1.00 0.00 N ATOM 2020 CA LYS A 518 5.979 12.419 12.054 1.00 0.00 C ATOM 2021 C LYS A 518 7.219 12.209 11.208 1.00 0.00 C ATOM 2022 O LYS A 518 8.115 13.038 11.174 1.00 0.00 O ATOM 2023 CB LYS A 518 6.191 11.878 13.478 1.00 0.00 C ATOM 2024 CG LYS A 518 7.315 12.570 14.265 1.00 0.00 C ATOM 2025 CD LYS A 518 7.044 14.067 14.441 1.00 0.00 C ATOM 2026 CE LYS A 518 8.124 14.755 15.271 1.00 0.00 C ATOM 2027 NZ LYS A 518 9.459 14.709 14.631 1.00 0.00 N ATOM 0 H LYS A 518 4.538 10.901 11.826 1.00 0.00 H new ATOM 0 HA LYS A 518 5.787 13.489 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 518 5.259 11.981 14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 518 6.410 10.812 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 518 7.416 12.101 15.244 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.263 12.430 13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 518 6.984 14.541 13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 518 6.076 14.205 14.922 1.00 0.00 H new ATOM 0 HE2 LYS A 518 7.841 15.795 15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 518 8.180 14.281 16.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 10.134 15.263 15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 9.783 13.722 14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 9.399 15.110 13.673 1.00 0.00 H new ATOM 2041 N LYS A 519 7.233 11.116 10.491 1.00 0.00 N ATOM 2042 CA LYS A 519 8.353 10.783 9.631 1.00 0.00 C ATOM 2043 C LYS A 519 8.163 11.420 8.265 1.00 0.00 C ATOM 2044 O LYS A 519 9.091 11.441 7.436 1.00 0.00 O ATOM 2045 CB LYS A 519 8.459 9.267 9.485 1.00 0.00 C ATOM 2046 CG LYS A 519 8.709 8.529 10.784 1.00 0.00 C ATOM 2047 CD LYS A 519 8.732 7.027 10.573 1.00 0.00 C ATOM 2048 CE LYS A 519 9.106 6.295 11.853 1.00 0.00 C ATOM 2049 NZ LYS A 519 10.478 6.628 12.296 1.00 0.00 N ATOM 0 H LYS A 519 6.477 10.431 10.482 1.00 0.00 H new ATOM 0 HA LYS A 519 9.271 11.165 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 519 7.538 8.892 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.266 9.037 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 519 9.658 8.852 11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 519 7.932 8.785 11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 519 7.753 6.690 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 519 9.446 6.779 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 519 8.397 6.553 12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 519 9.027 5.220 11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 10.810 5.908 12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 11.113 6.650 11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 10.477 7.560 12.758 1.00 0.00 H new ATOM 2063 N LYS A 520 6.944 11.947 8.055 1.00 0.00 N ATOM 2064 CA LYS A 520 6.510 12.584 6.809 1.00 0.00 C ATOM 2065 C LYS A 520 6.623 11.638 5.625 1.00 0.00 C ATOM 2066 O LYS A 520 6.712 12.072 4.484 1.00 0.00 O ATOM 2067 CB LYS A 520 7.289 13.886 6.549 1.00 0.00 C ATOM 2068 CG LYS A 520 7.072 14.963 7.604 1.00 0.00 C ATOM 2069 CD LYS A 520 5.615 15.397 7.662 1.00 0.00 C ATOM 2070 CE LYS A 520 5.401 16.458 8.722 1.00 0.00 C ATOM 2071 NZ LYS A 520 3.989 16.887 8.811 1.00 0.00 N ATOM 0 H LYS A 520 6.217 11.939 8.770 1.00 0.00 H new ATOM 0 HA LYS A 520 5.457 12.838 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 520 8.353 13.655 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 520 6.999 14.282 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 520 7.380 14.586 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 520 7.701 15.825 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 520 5.309 15.784 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 520 4.984 14.534 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 520 5.722 16.072 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 520 6.027 17.322 8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 3.893 17.613 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 3.687 17.281 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 3.392 16.069 9.050 1.00 0.00 H new ATOM 2085 N ILE A 521 6.525 10.354 5.885 1.00 0.00 N ATOM 2086 CA ILE A 521 6.698 9.365 4.833 1.00 0.00 C ATOM 2087 C ILE A 521 5.798 8.200 5.022 1.00 0.00 C ATOM 2088 O ILE A 521 5.200 8.020 6.085 1.00 0.00 O ATOM 2089 CB ILE A 521 8.191 8.867 4.624 1.00 0.00 C ATOM 2090 CG1 ILE A 521 8.916 8.448 5.932 1.00 0.00 C ATOM 2091 CG2 ILE A 521 9.020 9.851 3.832 1.00 0.00 C ATOM 2092 CD1 ILE A 521 8.480 7.118 6.526 1.00 0.00 C ATOM 0 H ILE A 521 6.328 9.967 6.808 1.00 0.00 H new ATOM 0 HA ILE A 521 6.425 9.896 3.921 1.00 0.00 H new ATOM 0 HB ILE A 521 8.092 7.956 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 521 9.987 8.404 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 521 8.761 9.227 6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 521 10.032 9.464 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 521 8.572 9.995 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 521 9.054 10.805 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 521 9.048 6.922 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 521 7.417 7.157 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 521 8.662 6.321 5.806 1.00 0.00 H new ATOM 2104 N PHE A 522 5.694 7.423 4.013 1.00 0.00 N ATOM 2105 CA PHE A 522 4.944 6.233 4.066 1.00 0.00 C ATOM 2106 C PHE A 522 5.916 5.107 4.308 1.00 0.00 C ATOM 2107 O PHE A 522 7.010 5.103 3.761 1.00 0.00 O ATOM 2108 CB PHE A 522 4.194 6.021 2.767 1.00 0.00 C ATOM 2109 CG PHE A 522 3.112 7.012 2.467 1.00 0.00 C ATOM 2110 CD1 PHE A 522 1.787 6.655 2.595 1.00 0.00 C ATOM 2111 CD2 PHE A 522 3.418 8.292 2.041 1.00 0.00 C ATOM 2112 CE1 PHE A 522 0.785 7.552 2.303 1.00 0.00 C ATOM 2113 CE2 PHE A 522 2.420 9.192 1.754 1.00 0.00 C ATOM 2114 CZ PHE A 522 1.100 8.819 1.884 1.00 0.00 C ATOM 0 H PHE A 522 6.136 7.601 3.111 1.00 0.00 H new ATOM 0 HA PHE A 522 4.203 6.278 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 522 4.913 6.038 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 522 3.753 5.024 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 522 1.532 5.660 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 522 4.451 8.587 1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 522 -0.249 7.258 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 522 2.670 10.190 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 522 0.314 9.524 1.656 1.00 0.00 H new ATOM 2124 N MET A 523 5.556 4.205 5.136 1.00 0.00 N ATOM 2125 CA MET A 523 6.408 3.108 5.473 1.00 0.00 C ATOM 2126 C MET A 523 5.581 1.862 5.404 1.00 0.00 C ATOM 2127 O MET A 523 4.392 1.898 5.731 1.00 0.00 O ATOM 2128 CB MET A 523 6.984 3.307 6.881 1.00 0.00 C ATOM 2129 CG MET A 523 7.967 2.234 7.323 1.00 0.00 C ATOM 2130 SD MET A 523 8.634 2.532 8.979 1.00 0.00 S ATOM 2131 CE MET A 523 7.145 2.453 9.976 1.00 0.00 C ATOM 0 H MET A 523 4.653 4.197 5.611 1.00 0.00 H new ATOM 0 HA MET A 523 7.248 3.037 4.782 1.00 0.00 H new ATOM 0 HB2 MET A 523 7.482 4.276 6.921 1.00 0.00 H new ATOM 0 HB3 MET A 523 6.160 3.342 7.594 1.00 0.00 H new ATOM 0 HG2 MET A 523 7.471 1.264 7.306 1.00 0.00 H new ATOM 0 HG3 MET A 523 8.789 2.184 6.609 1.00 0.00 H new ATOM 0 HE1 MET A 523 7.414 2.280 11.018 1.00 0.00 H new ATOM 0 HE2 MET A 523 6.601 3.394 9.893 1.00 0.00 H new ATOM 0 HE3 MET A 523 6.514 1.637 9.623 1.00 0.00 H new ATOM 2141 N GLY A 524 6.155 0.795 4.951 1.00 0.00 N ATOM 2142 CA GLY A 524 5.406 -0.400 4.843 1.00 0.00 C ATOM 2143 C GLY A 524 6.259 -1.623 4.968 1.00 0.00 C ATOM 2144 O GLY A 524 7.477 -1.547 4.860 1.00 0.00 O ATOM 0 H GLY A 524 7.129 0.732 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 524 4.639 -0.415 5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 524 4.891 -0.417 3.883 1.00 0.00 H new ATOM 2148 N LEU A 525 5.650 -2.712 5.301 1.00 0.00 N ATOM 2149 CA LEU A 525 6.305 -3.998 5.288 1.00 0.00 C ATOM 2150 C LEU A 525 5.654 -4.877 4.249 1.00 0.00 C ATOM 2151 O LEU A 525 4.416 -4.820 4.069 1.00 0.00 O ATOM 2152 CB LEU A 525 6.336 -4.689 6.664 1.00 0.00 C ATOM 2153 CG LEU A 525 7.402 -4.211 7.677 1.00 0.00 C ATOM 2154 CD1 LEU A 525 7.169 -2.778 8.123 1.00 0.00 C ATOM 2155 CD2 LEU A 525 7.448 -5.131 8.888 1.00 0.00 C ATOM 0 H LEU A 525 4.674 -2.745 5.594 1.00 0.00 H new ATOM 0 HA LEU A 525 7.350 -3.829 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 525 5.355 -4.567 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 525 6.481 -5.757 6.501 1.00 0.00 H new ATOM 0 HG LEU A 525 8.363 -4.246 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 525 7.943 -2.488 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 525 7.205 -2.117 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 525 6.191 -2.699 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 525 8.205 -4.775 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 525 6.475 -5.136 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 525 7.697 -6.142 8.567 1.00 0.00 H new ATOM 2167 N ILE A 526 6.448 -5.623 3.526 1.00 0.00 N ATOM 2168 CA ILE A 526 5.915 -6.540 2.538 1.00 0.00 C ATOM 2169 C ILE A 526 6.033 -7.999 2.998 1.00 0.00 C ATOM 2170 O ILE A 526 7.154 -8.548 3.120 1.00 0.00 O ATOM 2171 CB ILE A 526 6.577 -6.329 1.123 1.00 0.00 C ATOM 2172 CG1 ILE A 526 6.204 -7.450 0.134 1.00 0.00 C ATOM 2173 CG2 ILE A 526 8.080 -6.152 1.211 1.00 0.00 C ATOM 2174 CD1 ILE A 526 6.776 -7.265 -1.250 1.00 0.00 C ATOM 0 H ILE A 526 7.465 -5.618 3.598 1.00 0.00 H new ATOM 0 HA ILE A 526 4.854 -6.314 2.435 1.00 0.00 H new ATOM 0 HB ILE A 526 6.166 -5.399 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 526 6.550 -8.403 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 526 5.118 -7.510 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 526 8.489 -6.010 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 526 8.308 -5.280 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 526 8.525 -7.039 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 526 6.468 -8.095 -1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 526 6.410 -6.329 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 526 7.864 -7.236 -1.193 1.00 0.00 H new ATOM 2186 N PRO A 527 4.888 -8.616 3.346 1.00 0.00 N ATOM 2187 CA PRO A 527 4.802 -10.035 3.643 1.00 0.00 C ATOM 2188 C PRO A 527 4.936 -10.923 2.391 1.00 0.00 C ATOM 2189 O PRO A 527 4.347 -10.641 1.274 1.00 0.00 O ATOM 2190 CB PRO A 527 3.412 -10.206 4.273 1.00 0.00 C ATOM 2191 CG PRO A 527 3.004 -8.832 4.646 1.00 0.00 C ATOM 2192 CD PRO A 527 3.606 -7.951 3.609 1.00 0.00 C ATOM 0 HA PRO A 527 5.618 -10.346 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 527 2.709 -10.652 3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 527 3.449 -10.860 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 527 1.918 -8.735 4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 527 3.363 -8.571 5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 527 2.986 -7.893 2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 527 3.742 -6.931 3.970 1.00 0.00 H new ATOM 2200 N TYR A 528 5.688 -11.999 2.593 1.00 0.00 N ATOM 2201 CA TYR A 528 5.991 -12.978 1.575 1.00 0.00 C ATOM 2202 C TYR A 528 4.780 -13.806 1.236 1.00 0.00 C ATOM 2203 O TYR A 528 4.475 -14.022 0.066 1.00 0.00 O ATOM 2204 CB TYR A 528 7.080 -13.933 2.074 1.00 0.00 C ATOM 2205 CG TYR A 528 8.399 -13.290 2.412 1.00 0.00 C ATOM 2206 CD1 TYR A 528 8.661 -12.806 3.686 1.00 0.00 C ATOM 2207 CD2 TYR A 528 9.385 -13.185 1.465 1.00 0.00 C ATOM 2208 CE1 TYR A 528 9.880 -12.237 3.987 1.00 0.00 C ATOM 2209 CE2 TYR A 528 10.591 -12.624 1.754 1.00 0.00 C ATOM 2210 CZ TYR A 528 10.839 -12.151 3.013 1.00 0.00 C ATOM 2211 OH TYR A 528 12.059 -11.582 3.292 1.00 0.00 O ATOM 0 H TYR A 528 6.111 -12.213 3.496 1.00 0.00 H new ATOM 0 HA TYR A 528 6.324 -12.434 0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 528 6.709 -14.449 2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 528 7.251 -14.693 1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 528 7.901 -12.876 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 528 9.201 -13.556 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 528 10.077 -11.863 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.351 -12.552 0.990 1.00 0.00 H new ATOM 0 HH TYR A 528 12.775 -12.180 2.992 1.00 0.00 H new ATOM 2221 N ASP A 529 4.080 -14.251 2.258 1.00 0.00 N ATOM 2222 CA ASP A 529 2.972 -15.151 2.050 1.00 0.00 C ATOM 2223 C ASP A 529 1.728 -14.402 1.689 1.00 0.00 C ATOM 2224 O ASP A 529 1.097 -13.750 2.537 1.00 0.00 O ATOM 2225 CB ASP A 529 2.714 -16.037 3.255 1.00 0.00 C ATOM 2226 CG ASP A 529 1.686 -17.091 2.934 1.00 0.00 C ATOM 2227 OD1 ASP A 529 2.059 -18.142 2.386 1.00 0.00 O ATOM 2228 OD2 ASP A 529 0.493 -16.896 3.212 1.00 0.00 O ATOM 0 H ASP A 529 4.258 -14.006 3.232 1.00 0.00 H new ATOM 0 HA ASP A 529 3.251 -15.797 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 529 3.643 -16.513 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 529 2.369 -15.429 4.092 1.00 0.00 H new ATOM 2233 N GLN A 530 1.396 -14.466 0.436 1.00 0.00 N ATOM 2234 CA GLN A 530 0.245 -13.793 -0.084 1.00 0.00 C ATOM 2235 C GLN A 530 -1.054 -14.391 0.464 1.00 0.00 C ATOM 2236 O GLN A 530 -1.982 -13.658 0.765 1.00 0.00 O ATOM 2237 CB GLN A 530 0.262 -13.814 -1.621 1.00 0.00 C ATOM 2238 CG GLN A 530 0.005 -15.182 -2.234 1.00 0.00 C ATOM 2239 CD GLN A 530 0.358 -15.240 -3.688 1.00 0.00 C ATOM 2240 OE1 GLN A 530 -0.457 -14.941 -4.560 1.00 0.00 O ATOM 2241 NE2 GLN A 530 1.561 -15.648 -3.975 1.00 0.00 N ATOM 0 H GLN A 530 1.922 -14.992 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 530 0.284 -12.755 0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -0.490 -13.117 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 530 1.230 -13.451 -1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 530 0.583 -15.932 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -1.047 -15.440 -2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 530 2.211 -15.887 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 530 1.854 -15.728 -4.949 1.00 0.00 H new ATOM 2250 N SER A 531 -1.086 -15.717 0.659 1.00 0.00 N ATOM 2251 CA SER A 531 -2.317 -16.382 1.032 1.00 0.00 C ATOM 2252 C SER A 531 -2.834 -15.929 2.392 1.00 0.00 C ATOM 2253 O SER A 531 -3.983 -15.544 2.513 1.00 0.00 O ATOM 2254 CB SER A 531 -2.176 -17.918 0.954 1.00 0.00 C ATOM 2255 OG SER A 531 -1.156 -18.430 1.822 1.00 0.00 O ATOM 0 H SER A 531 -0.279 -16.333 0.563 1.00 0.00 H new ATOM 0 HA SER A 531 -3.070 -16.085 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 531 -3.130 -18.379 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 531 -1.950 -18.205 -0.073 1.00 0.00 H new ATOM 0 HG SER A 531 -0.578 -17.695 2.117 1.00 0.00 H new ATOM 2261 N GLY A 532 -1.959 -15.893 3.379 1.00 0.00 N ATOM 2262 CA GLY A 532 -2.360 -15.516 4.703 1.00 0.00 C ATOM 2263 C GLY A 532 -2.658 -14.044 4.816 1.00 0.00 C ATOM 2264 O GLY A 532 -3.614 -13.647 5.494 1.00 0.00 O ATOM 0 H GLY A 532 -0.970 -16.121 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -3.245 -16.086 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -1.571 -15.779 5.407 1.00 0.00 H new ATOM 2268 N PHE A 533 -1.865 -13.228 4.145 1.00 0.00 N ATOM 2269 CA PHE A 533 -2.036 -11.798 4.236 1.00 0.00 C ATOM 2270 C PHE A 533 -3.303 -11.346 3.517 1.00 0.00 C ATOM 2271 O PHE A 533 -4.100 -10.617 4.090 1.00 0.00 O ATOM 2272 CB PHE A 533 -0.812 -11.053 3.720 1.00 0.00 C ATOM 2273 CG PHE A 533 -0.815 -9.586 4.064 1.00 0.00 C ATOM 2274 CD1 PHE A 533 -1.246 -8.636 3.156 1.00 0.00 C ATOM 2275 CD2 PHE A 533 -0.373 -9.162 5.302 1.00 0.00 C ATOM 2276 CE1 PHE A 533 -1.231 -7.297 3.477 1.00 0.00 C ATOM 2277 CE2 PHE A 533 -0.361 -7.828 5.628 1.00 0.00 C ATOM 2278 CZ PHE A 533 -0.788 -6.895 4.716 1.00 0.00 C ATOM 0 H PHE A 533 -1.104 -13.532 3.537 1.00 0.00 H new ATOM 0 HA PHE A 533 -2.147 -11.550 5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 533 0.085 -11.514 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 533 -0.758 -11.165 2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 533 -1.598 -8.948 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 533 -0.032 -9.890 6.024 1.00 0.00 H new ATOM 0 HE1 PHE A 533 -1.566 -6.564 2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 533 -0.016 -7.513 6.602 1.00 0.00 H new ATOM 0 HZ PHE A 533 -0.776 -5.846 4.971 1.00 0.00 H new ATOM 2288 N VAL A 534 -3.514 -11.826 2.287 1.00 0.00 N ATOM 2289 CA VAL A 534 -4.712 -11.458 1.519 1.00 0.00 C ATOM 2290 C VAL A 534 -5.969 -11.973 2.244 1.00 0.00 C ATOM 2291 O VAL A 534 -6.999 -11.289 2.311 1.00 0.00 O ATOM 2292 CB VAL A 534 -4.667 -11.992 0.049 1.00 0.00 C ATOM 2293 CG1 VAL A 534 -5.961 -11.673 -0.690 1.00 0.00 C ATOM 2294 CG2 VAL A 534 -3.491 -11.373 -0.701 1.00 0.00 C ATOM 0 H VAL A 534 -2.880 -12.463 1.805 1.00 0.00 H new ATOM 0 HA VAL A 534 -4.744 -10.370 1.456 1.00 0.00 H new ATOM 0 HB VAL A 534 -4.546 -13.074 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 534 -5.902 -12.056 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 534 -6.799 -12.142 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 534 -6.109 -10.593 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 534 -3.471 -11.753 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 534 -3.601 -10.289 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 534 -2.560 -11.635 -0.198 1.00 0.00 H new ATOM 2304 N ASN A 535 -5.850 -13.172 2.814 1.00 0.00 N ATOM 2305 CA ASN A 535 -6.918 -13.789 3.616 1.00 0.00 C ATOM 2306 C ASN A 535 -7.255 -12.893 4.806 1.00 0.00 C ATOM 2307 O ASN A 535 -8.431 -12.683 5.142 1.00 0.00 O ATOM 2308 CB ASN A 535 -6.460 -15.172 4.112 1.00 0.00 C ATOM 2309 CG ASN A 535 -7.484 -15.923 4.942 1.00 0.00 C ATOM 2310 OD1 ASN A 535 -8.323 -16.655 4.401 1.00 0.00 O ATOM 2311 ND2 ASN A 535 -7.395 -15.813 6.243 1.00 0.00 N ATOM 0 H ASN A 535 -5.011 -13.747 2.735 1.00 0.00 H new ATOM 0 HA ASN A 535 -7.809 -13.908 2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 535 -6.195 -15.782 3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 535 -5.554 -15.048 4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 535 -8.029 -16.340 6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 535 -6.692 -15.201 6.656 1.00 0.00 H new ATOM 2318 N GLY A 536 -6.219 -12.347 5.416 1.00 0.00 N ATOM 2319 CA GLY A 536 -6.385 -11.444 6.529 1.00 0.00 C ATOM 2320 C GLY A 536 -7.019 -10.150 6.090 1.00 0.00 C ATOM 2321 O GLY A 536 -7.914 -9.632 6.757 1.00 0.00 O ATOM 0 H GLY A 536 -5.248 -12.518 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -7.004 -11.914 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -5.416 -11.241 6.984 1.00 0.00 H new ATOM 2325 N ILE A 537 -6.578 -9.647 4.945 1.00 0.00 N ATOM 2326 CA ILE A 537 -7.129 -8.429 4.360 1.00 0.00 C ATOM 2327 C ILE A 537 -8.608 -8.613 4.043 1.00 0.00 C ATOM 2328 O ILE A 537 -9.391 -7.706 4.241 1.00 0.00 O ATOM 2329 CB ILE A 537 -6.349 -7.969 3.086 1.00 0.00 C ATOM 2330 CG1 ILE A 537 -4.884 -7.669 3.429 1.00 0.00 C ATOM 2331 CG2 ILE A 537 -7.000 -6.742 2.440 1.00 0.00 C ATOM 2332 CD1 ILE A 537 -4.693 -6.584 4.472 1.00 0.00 C ATOM 0 H ILE A 537 -5.830 -10.070 4.395 1.00 0.00 H new ATOM 0 HA ILE A 537 -7.017 -7.639 5.103 1.00 0.00 H new ATOM 0 HB ILE A 537 -6.385 -8.787 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 537 -4.412 -8.585 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 537 -4.363 -7.375 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 537 -6.431 -6.451 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 537 -8.022 -6.983 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 537 -7.011 -5.918 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 537 -3.628 -6.437 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 537 -5.132 -5.653 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 537 -5.182 -6.881 5.400 1.00 0.00 H new ATOM 2344 N ARG A 538 -8.988 -9.814 3.602 1.00 0.00 N ATOM 2345 CA ARG A 538 -10.389 -10.133 3.326 1.00 0.00 C ATOM 2346 C ARG A 538 -11.253 -9.885 4.571 1.00 0.00 C ATOM 2347 O ARG A 538 -12.365 -9.362 4.475 1.00 0.00 O ATOM 2348 CB ARG A 538 -10.544 -11.581 2.853 1.00 0.00 C ATOM 2349 CG ARG A 538 -11.983 -11.967 2.548 1.00 0.00 C ATOM 2350 CD ARG A 538 -12.584 -11.129 1.424 1.00 0.00 C ATOM 2351 NE ARG A 538 -14.031 -11.352 1.288 1.00 0.00 N ATOM 2352 CZ ARG A 538 -14.812 -10.780 0.354 1.00 0.00 C ATOM 2353 NH1 ARG A 538 -14.273 -10.067 -0.619 1.00 0.00 N ATOM 2354 NH2 ARG A 538 -16.123 -10.952 0.388 1.00 0.00 N ATOM 0 H ARG A 538 -8.342 -10.584 3.428 1.00 0.00 H new ATOM 0 HA ARG A 538 -10.730 -9.476 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -9.939 -11.730 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -10.151 -12.249 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -12.023 -13.021 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -12.587 -11.849 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -12.396 -10.073 1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -12.089 -11.374 0.484 1.00 0.00 H new ATOM 0 HE ARG A 538 -14.475 -11.987 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -13.261 -9.949 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -14.869 -9.635 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -16.544 -11.519 1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -16.713 -10.517 -0.321 1.00 0.00 H new ATOM 2368 N GLN A 539 -10.712 -10.218 5.724 1.00 0.00 N ATOM 2369 CA GLN A 539 -11.378 -9.998 7.004 1.00 0.00 C ATOM 2370 C GLN A 539 -11.485 -8.487 7.268 1.00 0.00 C ATOM 2371 O GLN A 539 -12.529 -7.991 7.690 1.00 0.00 O ATOM 2372 CB GLN A 539 -10.570 -10.684 8.101 1.00 0.00 C ATOM 2373 CG GLN A 539 -11.090 -10.496 9.517 1.00 0.00 C ATOM 2374 CD GLN A 539 -10.204 -11.175 10.548 1.00 0.00 C ATOM 2375 OE1 GLN A 539 -8.927 -11.265 10.270 1.00 0.00 O flip ATOM 2376 NE2 GLN A 539 -10.671 -11.614 11.597 1.00 0.00 N flip ATOM 0 H GLN A 539 -9.793 -10.652 5.807 1.00 0.00 H new ATOM 0 HA GLN A 539 -12.384 -10.418 6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 539 -10.533 -11.752 7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 539 -9.546 -10.314 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 539 -11.154 -9.431 9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 539 -12.101 -10.898 9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 539 -11.670 -11.529 11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 539 -10.060 -12.063 12.279 1.00 0.00 H new ATOM 2385 N VAL A 540 -10.413 -7.773 6.963 1.00 0.00 N ATOM 2386 CA VAL A 540 -10.360 -6.323 7.124 1.00 0.00 C ATOM 2387 C VAL A 540 -11.396 -5.648 6.200 1.00 0.00 C ATOM 2388 O VAL A 540 -12.142 -4.759 6.621 1.00 0.00 O ATOM 2389 CB VAL A 540 -8.934 -5.773 6.826 1.00 0.00 C ATOM 2390 CG1 VAL A 540 -8.872 -4.276 7.044 1.00 0.00 C ATOM 2391 CG2 VAL A 540 -7.889 -6.472 7.684 1.00 0.00 C ATOM 0 H VAL A 540 -9.553 -8.180 6.596 1.00 0.00 H new ATOM 0 HA VAL A 540 -10.600 -6.089 8.161 1.00 0.00 H new ATOM 0 HB VAL A 540 -8.715 -5.978 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 540 -7.865 -3.918 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 540 -9.582 -3.782 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 540 -9.124 -4.048 8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 540 -6.902 -6.069 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 540 -8.114 -6.307 8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 540 -7.902 -7.541 7.474 1.00 0.00 H new ATOM 2401 N ILE A 541 -11.458 -6.125 4.966 1.00 0.00 N ATOM 2402 CA ILE A 541 -12.415 -5.652 3.964 1.00 0.00 C ATOM 2403 C ILE A 541 -13.849 -5.887 4.473 1.00 0.00 C ATOM 2404 O ILE A 541 -14.704 -5.008 4.409 1.00 0.00 O ATOM 2405 CB ILE A 541 -12.225 -6.429 2.619 1.00 0.00 C ATOM 2406 CG1 ILE A 541 -10.817 -6.182 1.995 1.00 0.00 C ATOM 2407 CG2 ILE A 541 -13.348 -6.122 1.631 1.00 0.00 C ATOM 2408 CD1 ILE A 541 -10.567 -6.938 0.703 1.00 0.00 C ATOM 0 H ILE A 541 -10.840 -6.860 4.623 1.00 0.00 H new ATOM 0 HA ILE A 541 -12.244 -4.589 3.794 1.00 0.00 H new ATOM 0 HB ILE A 541 -12.282 -7.492 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -10.697 -5.115 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -10.055 -6.465 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -13.183 -6.679 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -14.304 -6.414 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -13.359 -5.054 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -9.566 -6.710 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -10.652 -8.009 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -11.304 -6.638 -0.042 1.00 0.00 H new ATOM 2420 N THR A 542 -14.062 -7.065 5.017 1.00 0.00 N ATOM 2421 CA THR A 542 -15.340 -7.474 5.551 1.00 0.00 C ATOM 2422 C THR A 542 -15.774 -6.587 6.740 1.00 0.00 C ATOM 2423 O THR A 542 -16.947 -6.218 6.864 1.00 0.00 O ATOM 2424 CB THR A 542 -15.239 -8.934 5.957 1.00 0.00 C ATOM 2425 OG1 THR A 542 -14.965 -9.747 4.791 1.00 0.00 O ATOM 2426 CG2 THR A 542 -16.453 -9.455 6.699 1.00 0.00 C ATOM 0 H THR A 542 -13.337 -7.778 5.102 1.00 0.00 H new ATOM 0 HA THR A 542 -16.108 -7.355 4.787 1.00 0.00 H new ATOM 0 HB THR A 542 -14.414 -9.002 6.666 1.00 0.00 H new ATOM 0 HG1 THR A 542 -14.063 -9.552 4.461 1.00 0.00 H new ATOM 0 HG21 THR A 542 -16.302 -10.504 6.953 1.00 0.00 H new ATOM 0 HG22 THR A 542 -16.597 -8.878 7.612 1.00 0.00 H new ATOM 0 HG23 THR A 542 -17.335 -9.359 6.066 1.00 0.00 H new ATOM 2434 N ASN A 543 -14.818 -6.220 7.580 1.00 0.00 N ATOM 2435 CA ASN A 543 -15.082 -5.340 8.718 1.00 0.00 C ATOM 2436 C ASN A 543 -15.443 -3.949 8.227 1.00 0.00 C ATOM 2437 O ASN A 543 -16.347 -3.299 8.761 1.00 0.00 O ATOM 2438 CB ASN A 543 -13.870 -5.274 9.640 1.00 0.00 C ATOM 2439 CG ASN A 543 -14.069 -4.362 10.847 1.00 0.00 C ATOM 2440 OD1 ASN A 543 -13.769 -3.163 10.805 1.00 0.00 O ATOM 2441 ND2 ASN A 543 -14.542 -4.917 11.926 1.00 0.00 N ATOM 0 H ASN A 543 -13.846 -6.518 7.498 1.00 0.00 H new ATOM 0 HA ASN A 543 -15.921 -5.747 9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 543 -13.635 -6.279 9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 543 -13.009 -4.925 9.070 1.00 0.00 H new ATOM 0 HD21 ASN A 543 -14.675 -4.360 12.770 1.00 0.00 H new ATOM 0 HD22 ASN A 543 -14.780 -5.909 11.927 1.00 0.00 H new ATOM 2448 N LEU A 544 -14.766 -3.523 7.172 1.00 0.00 N ATOM 2449 CA LEU A 544 -15.011 -2.233 6.545 1.00 0.00 C ATOM 2450 C LEU A 544 -16.416 -2.209 5.925 1.00 0.00 C ATOM 2451 O LEU A 544 -17.036 -1.159 5.796 1.00 0.00 O ATOM 2452 CB LEU A 544 -13.928 -1.958 5.488 1.00 0.00 C ATOM 2453 CG LEU A 544 -14.000 -0.623 4.738 1.00 0.00 C ATOM 2454 CD1 LEU A 544 -13.884 0.556 5.697 1.00 0.00 C ATOM 2455 CD2 LEU A 544 -12.906 -0.563 3.687 1.00 0.00 C ATOM 0 H LEU A 544 -14.027 -4.065 6.724 1.00 0.00 H new ATOM 0 HA LEU A 544 -14.963 -1.445 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -12.956 -2.018 5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -13.964 -2.761 4.752 1.00 0.00 H new ATOM 0 HG LEU A 544 -14.971 -0.556 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -13.938 1.489 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -14.700 0.519 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -12.931 0.505 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -12.962 0.388 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -11.933 -0.653 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -13.037 -1.381 2.979 1.00 0.00 H new