USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 718 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 503 SER OG : rot 180:sc= 0.236 USER MOD Set 1.2: A 505 THR OG1 : rot 150:sc= 0.106 USER MOD Set 2.1: A 459 HIS : no HD1:sc= -1.82 K(o=-3.6,f=-1.7) USER MOD Set 2.2: A 472 TYR OH : rot 30:sc= -1.82! USER MOD Single : A 426 SER OG : rot 31:sc= 0.0964 USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.00431 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ 132:sc= 1.29 (180deg=-0.0386) USER MOD Single : A 463 SER OG : rot 180:sc= 0 USER MOD Single : A 464 LYS NZ :NH3+ 159:sc= -0.747 (180deg=-1.42) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 481 SER OG : rot 180:sc= 0 USER MOD Single : A 482 SER OG : rot 160:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 490 CYS SG : rot 54:sc= -3.06! USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 TYR OH : rot 180:sc= 0 USER MOD Single : A 500 CYS SG : rot 30:sc= 0.125 USER MOD Single : A 502 SER OG : rot 180:sc= 0 USER MOD Single : A 507 LYS NZ :NH3+ -157:sc= -0.139 (180deg=-0.738) USER MOD Single : A 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 GLN : amide:sc=-0.00336 X(o=-0.0034,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 426 -4.541 11.479 -2.974 1.00 0.00 N ATOM 67 CA SER A 426 -3.117 11.284 -2.731 1.00 0.00 C ATOM 68 C SER A 426 -2.650 9.941 -3.282 1.00 0.00 C ATOM 69 O SER A 426 -3.461 9.066 -3.584 1.00 0.00 O ATOM 70 CB SER A 426 -2.818 11.365 -1.232 1.00 0.00 C ATOM 71 OG SER A 426 -3.273 12.591 -0.687 1.00 0.00 O ATOM 0 HA SER A 426 -2.574 12.076 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 426 -3.299 10.534 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 426 -1.745 11.265 -1.066 1.00 0.00 H new ATOM 0 HG SER A 426 -4.067 12.892 -1.176 1.00 0.00 H new ATOM 77 N ARG A 427 -1.336 9.785 -3.410 1.00 0.00 N ATOM 78 CA ARG A 427 -0.760 8.549 -3.926 1.00 0.00 C ATOM 79 C ARG A 427 -0.651 7.499 -2.824 1.00 0.00 C ATOM 80 O ARG A 427 -1.266 6.435 -2.903 1.00 0.00 O ATOM 81 CB ARG A 427 0.620 8.817 -4.528 1.00 0.00 C ATOM 82 CG ARG A 427 0.603 9.826 -5.665 1.00 0.00 C ATOM 83 CD ARG A 427 1.889 9.775 -6.475 1.00 0.00 C ATOM 84 NE ARG A 427 2.967 10.527 -5.838 1.00 0.00 N ATOM 85 CZ ARG A 427 4.148 10.744 -6.408 1.00 0.00 C ATOM 86 NH1 ARG A 427 4.400 10.270 -7.620 1.00 0.00 N ATOM 87 NH2 ARG A 427 5.078 11.438 -5.765 1.00 0.00 N ATOM 0 H ARG A 427 -0.651 10.499 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 427 -1.420 8.167 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 427 1.285 9.177 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 427 1.036 7.878 -4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -0.247 9.626 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 427 0.466 10.829 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 427 2.197 8.737 -6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 427 1.706 10.177 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 427 2.805 10.906 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 427 3.687 9.737 -8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 427 5.307 10.438 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 427 4.887 11.805 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 427 5.984 11.604 -6.203 1.00 0.00 H new ATOM 101 N LYS A 428 0.136 7.804 -1.798 1.00 0.00 N ATOM 102 CA LYS A 428 0.326 6.889 -0.680 1.00 0.00 C ATOM 103 C LYS A 428 -0.996 6.246 -0.272 1.00 0.00 C ATOM 104 O LYS A 428 -1.970 6.940 0.021 1.00 0.00 O ATOM 105 CB LYS A 428 0.936 7.628 0.513 1.00 0.00 C ATOM 106 CG LYS A 428 1.565 6.705 1.543 1.00 0.00 C ATOM 107 CD LYS A 428 2.723 7.378 2.261 1.00 0.00 C ATOM 108 CE LYS A 428 2.241 8.203 3.445 1.00 0.00 C ATOM 109 NZ LYS A 428 3.293 8.341 4.490 1.00 0.00 N ATOM 0 H LYS A 428 0.653 8.680 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 428 1.009 6.102 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 428 1.693 8.324 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 428 0.161 8.223 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 428 0.811 6.402 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 428 1.918 5.798 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 428 3.428 6.621 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 428 3.261 8.020 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 428 1.940 9.192 3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 428 1.358 7.734 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 2.926 8.910 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 3.562 7.399 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 4.127 8.811 4.083 1.00 0.00 H new ATOM 123 N VAL A 429 -1.022 4.918 -0.252 1.00 0.00 N ATOM 124 CA VAL A 429 -2.224 4.182 0.123 1.00 0.00 C ATOM 125 C VAL A 429 -1.997 3.370 1.393 1.00 0.00 C ATOM 126 O VAL A 429 -0.927 2.794 1.592 1.00 0.00 O ATOM 127 CB VAL A 429 -2.678 3.236 -1.004 1.00 0.00 C ATOM 128 CG1 VAL A 429 -3.927 2.472 -0.590 1.00 0.00 C ATOM 129 CG2 VAL A 429 -2.920 4.015 -2.288 1.00 0.00 C ATOM 0 H VAL A 429 -0.224 4.329 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 429 -3.005 4.921 0.302 1.00 0.00 H new ATOM 0 HB VAL A 429 -1.884 2.513 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -4.233 1.809 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -3.714 1.882 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -4.730 3.177 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -3.240 3.331 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -3.695 4.762 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -1.998 4.511 -2.592 1.00 0.00 H new ATOM 139 N PHE A 430 -3.011 3.328 2.251 1.00 0.00 N ATOM 140 CA PHE A 430 -2.923 2.586 3.503 1.00 0.00 C ATOM 141 C PHE A 430 -3.648 1.248 3.395 1.00 0.00 C ATOM 142 O PHE A 430 -4.878 1.195 3.380 1.00 0.00 O ATOM 143 CB PHE A 430 -3.513 3.408 4.650 1.00 0.00 C ATOM 144 CG PHE A 430 -3.563 2.667 5.956 1.00 0.00 C ATOM 145 CD1 PHE A 430 -2.438 2.022 6.445 1.00 0.00 C ATOM 146 CD2 PHE A 430 -4.734 2.615 6.694 1.00 0.00 C ATOM 147 CE1 PHE A 430 -2.481 1.339 7.645 1.00 0.00 C ATOM 148 CE2 PHE A 430 -4.783 1.933 7.896 1.00 0.00 C ATOM 149 CZ PHE A 430 -3.655 1.295 8.372 1.00 0.00 C ATOM 0 H PHE A 430 -3.903 3.799 2.102 1.00 0.00 H new ATOM 0 HA PHE A 430 -1.870 2.393 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.921 4.314 4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -4.522 3.721 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.517 2.054 5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -5.619 3.113 6.326 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -1.597 0.840 8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -5.702 1.900 8.462 1.00 0.00 H new ATOM 0 HZ PHE A 430 -3.690 0.762 9.311 1.00 0.00 H new ATOM 159 N VAL A 431 -2.877 0.168 3.320 1.00 0.00 N ATOM 160 CA VAL A 431 -3.445 -1.171 3.214 1.00 0.00 C ATOM 161 C VAL A 431 -3.301 -1.935 4.526 1.00 0.00 C ATOM 162 O VAL A 431 -2.190 -2.194 4.986 1.00 0.00 O ATOM 163 CB VAL A 431 -2.773 -1.978 2.087 1.00 0.00 C ATOM 164 CG1 VAL A 431 -3.525 -3.277 1.839 1.00 0.00 C ATOM 165 CG2 VAL A 431 -2.691 -1.148 0.815 1.00 0.00 C ATOM 0 H VAL A 431 -1.857 0.194 3.331 1.00 0.00 H new ATOM 0 HA VAL A 431 -4.503 -1.048 2.982 1.00 0.00 H new ATOM 0 HB VAL A 431 -1.758 -2.228 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -3.036 -3.834 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -3.527 -3.876 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -4.552 -3.053 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -2.214 -1.733 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -3.695 -0.867 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -2.105 -0.249 1.005 1.00 0.00 H new ATOM 175 N GLY A 432 -4.433 -2.293 5.124 1.00 0.00 N ATOM 176 CA GLY A 432 -4.411 -3.024 6.377 1.00 0.00 C ATOM 177 C GLY A 432 -5.027 -4.403 6.255 1.00 0.00 C ATOM 178 O GLY A 432 -6.141 -4.551 5.753 1.00 0.00 O ATOM 0 H GLY A 432 -5.365 -2.090 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -3.381 -3.119 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -4.949 -2.455 7.135 1.00 0.00 H new ATOM 182 N GLY A 433 -4.299 -5.418 6.712 1.00 0.00 N ATOM 183 CA GLY A 433 -4.796 -6.779 6.640 1.00 0.00 C ATOM 184 C GLY A 433 -4.013 -7.632 5.662 1.00 0.00 C ATOM 185 O GLY A 433 -4.576 -8.500 4.994 1.00 0.00 O ATOM 0 H GLY A 433 -3.374 -5.321 7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 433 -4.750 -7.232 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 433 -5.845 -6.764 6.345 1.00 0.00 H new ATOM 189 N LEU A 434 -2.711 -7.383 5.574 1.00 0.00 N ATOM 190 CA LEU A 434 -1.848 -8.134 4.668 1.00 0.00 C ATOM 191 C LEU A 434 -1.422 -9.458 5.294 1.00 0.00 C ATOM 192 O LEU A 434 -1.160 -9.550 6.494 1.00 0.00 O ATOM 193 CB LEU A 434 -0.613 -7.307 4.307 1.00 0.00 C ATOM 194 CG LEU A 434 -0.854 -6.107 3.389 1.00 0.00 C ATOM 195 CD1 LEU A 434 0.335 -5.159 3.428 1.00 0.00 C ATOM 196 CD2 LEU A 434 -1.124 -6.570 1.965 1.00 0.00 C ATOM 0 H LEU A 434 -2.230 -6.667 6.119 1.00 0.00 H new ATOM 0 HA LEU A 434 -2.413 -8.348 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 434 -0.158 -6.947 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 434 0.113 -7.965 3.829 1.00 0.00 H new ATOM 0 HG LEU A 434 -1.733 -5.570 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 434 0.146 -4.311 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 434 0.482 -4.801 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 434 1.230 -5.684 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 434 -1.293 -5.703 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 434 -0.265 -7.131 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 434 -2.007 -7.208 1.951 1.00 0.00 H new ATOM 208 N PRO A 435 -1.348 -10.509 4.464 1.00 0.00 N ATOM 209 CA PRO A 435 -0.951 -11.846 4.913 1.00 0.00 C ATOM 210 C PRO A 435 0.291 -11.816 5.797 1.00 0.00 C ATOM 211 O PRO A 435 1.172 -10.969 5.643 1.00 0.00 O ATOM 212 CB PRO A 435 -0.659 -12.587 3.605 1.00 0.00 C ATOM 213 CG PRO A 435 -1.513 -11.912 2.588 1.00 0.00 C ATOM 214 CD PRO A 435 -1.645 -10.471 3.022 1.00 0.00 C ATOM 0 HA PRO A 435 -1.722 -12.317 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 435 0.397 -12.523 3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 435 -0.903 -13.646 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 435 -1.062 -11.979 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 435 -2.491 -12.389 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 435 -0.947 -9.827 2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 435 -2.646 -10.086 2.830 1.00 0.00 H new ATOM 222 N PRO A 436 0.367 -12.761 6.745 1.00 0.00 N ATOM 223 CA PRO A 436 1.498 -12.864 7.672 1.00 0.00 C ATOM 224 C PRO A 436 2.707 -13.542 7.038 1.00 0.00 C ATOM 225 O PRO A 436 3.747 -13.702 7.677 1.00 0.00 O ATOM 226 CB PRO A 436 0.944 -13.719 8.814 1.00 0.00 C ATOM 227 CG PRO A 436 -0.110 -14.561 8.181 1.00 0.00 C ATOM 228 CD PRO A 436 -0.646 -13.802 6.986 1.00 0.00 C ATOM 0 HA PRO A 436 1.855 -11.884 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 436 1.724 -14.333 9.263 1.00 0.00 H new ATOM 0 HB3 PRO A 436 0.530 -13.098 9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 436 0.302 -15.521 7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 436 -0.910 -14.771 8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 436 -0.764 -14.453 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 436 -1.624 -13.368 7.194 1.00 0.00 H new ATOM 236 N ASP A 437 2.564 -13.938 5.778 1.00 0.00 N ATOM 237 CA ASP A 437 3.646 -14.597 5.056 1.00 0.00 C ATOM 238 C ASP A 437 3.831 -13.982 3.672 1.00 0.00 C ATOM 239 O ASP A 437 4.129 -14.684 2.705 1.00 0.00 O ATOM 240 CB ASP A 437 3.365 -16.095 4.929 1.00 0.00 C ATOM 241 CG ASP A 437 3.326 -16.793 6.274 1.00 0.00 C ATOM 242 OD1 ASP A 437 4.089 -16.387 7.175 1.00 0.00 O ATOM 243 OD2 ASP A 437 2.533 -17.746 6.425 1.00 0.00 O ATOM 0 H ASP A 437 1.709 -13.814 5.235 1.00 0.00 H new ATOM 0 HA ASP A 437 4.566 -14.455 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 437 2.413 -16.241 4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 437 4.133 -16.554 4.307 1.00 0.00 H new ATOM 248 N ILE A 438 3.650 -12.669 3.585 1.00 0.00 N ATOM 249 CA ILE A 438 3.796 -11.960 2.320 1.00 0.00 C ATOM 250 C ILE A 438 5.029 -11.062 2.332 1.00 0.00 C ATOM 251 O ILE A 438 5.326 -10.413 3.335 1.00 0.00 O ATOM 252 CB ILE A 438 2.554 -11.104 2.007 1.00 0.00 C ATOM 253 CG1 ILE A 438 2.668 -10.494 0.609 1.00 0.00 C ATOM 254 CG2 ILE A 438 2.385 -10.014 3.055 1.00 0.00 C ATOM 255 CD1 ILE A 438 1.353 -9.980 0.065 1.00 0.00 C ATOM 0 H ILE A 438 3.402 -12.074 4.376 1.00 0.00 H new ATOM 0 HA ILE A 438 3.909 -12.718 1.545 1.00 0.00 H new ATOM 0 HB ILE A 438 1.673 -11.745 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 438 3.386 -9.674 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 438 3.066 -11.244 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 438 1.503 -9.417 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 438 2.264 -10.470 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 438 3.267 -9.373 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 438 1.509 -9.561 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 438 0.638 -10.801 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 438 0.963 -9.207 0.727 1.00 0.00 H new ATOM 267 N ASP A 439 5.741 -11.030 1.211 1.00 0.00 N ATOM 268 CA ASP A 439 6.940 -10.209 1.091 1.00 0.00 C ATOM 269 C ASP A 439 6.664 -8.962 0.256 1.00 0.00 C ATOM 270 O ASP A 439 5.538 -8.737 -0.186 1.00 0.00 O ATOM 271 CB ASP A 439 8.076 -11.018 0.462 1.00 0.00 C ATOM 272 CG ASP A 439 7.675 -11.652 -0.855 1.00 0.00 C ATOM 273 OD1 ASP A 439 7.648 -10.934 -1.876 1.00 0.00 O ATOM 274 OD2 ASP A 439 7.390 -12.868 -0.865 1.00 0.00 O ATOM 0 H ASP A 439 5.509 -11.563 0.373 1.00 0.00 H new ATOM 0 HA ASP A 439 7.238 -9.895 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 439 8.936 -10.368 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 439 8.391 -11.797 1.156 1.00 0.00 H new ATOM 279 N GLU A 440 7.700 -8.155 0.047 1.00 0.00 N ATOM 280 CA GLU A 440 7.567 -6.930 -0.733 1.00 0.00 C ATOM 281 C GLU A 440 7.001 -7.226 -2.119 1.00 0.00 C ATOM 282 O GLU A 440 5.872 -6.851 -2.433 1.00 0.00 O ATOM 283 CB GLU A 440 8.923 -6.232 -0.862 1.00 0.00 C ATOM 284 CG GLU A 440 8.911 -5.051 -1.818 1.00 0.00 C ATOM 285 CD GLU A 440 10.286 -4.738 -2.375 1.00 0.00 C ATOM 286 OE1 GLU A 440 10.874 -5.621 -3.032 1.00 0.00 O ATOM 287 OE2 GLU A 440 10.773 -3.610 -2.153 1.00 0.00 O ATOM 0 H GLU A 440 8.639 -8.327 0.406 1.00 0.00 H new ATOM 0 HA GLU A 440 6.875 -6.270 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 440 9.240 -5.888 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 440 9.664 -6.956 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 440 8.229 -5.262 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 440 8.524 -4.173 -1.300 1.00 0.00 H new ATOM 294 N ASP A 441 7.795 -7.901 -2.944 1.00 0.00 N ATOM 295 CA ASP A 441 7.374 -8.248 -4.296 1.00 0.00 C ATOM 296 C ASP A 441 5.888 -8.589 -4.332 1.00 0.00 C ATOM 297 O ASP A 441 5.096 -7.890 -4.963 1.00 0.00 O ATOM 298 CB ASP A 441 8.194 -9.428 -4.821 1.00 0.00 C ATOM 299 CG ASP A 441 9.519 -8.993 -5.415 1.00 0.00 C ATOM 300 OD1 ASP A 441 9.509 -8.372 -6.498 1.00 0.00 O ATOM 301 OD2 ASP A 441 10.567 -9.274 -4.796 1.00 0.00 O ATOM 0 H ASP A 441 8.733 -8.218 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 441 7.545 -7.383 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 441 8.377 -10.130 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 441 7.617 -9.960 -5.578 1.00 0.00 H new ATOM 306 N GLU A 442 5.517 -9.669 -3.651 1.00 0.00 N ATOM 307 CA GLU A 442 4.126 -10.103 -3.608 1.00 0.00 C ATOM 308 C GLU A 442 3.182 -8.904 -3.586 1.00 0.00 C ATOM 309 O GLU A 442 2.379 -8.717 -4.500 1.00 0.00 O ATOM 310 CB GLU A 442 3.881 -10.982 -2.379 1.00 0.00 C ATOM 311 CG GLU A 442 4.618 -12.309 -2.423 1.00 0.00 C ATOM 312 CD GLU A 442 3.887 -13.408 -1.676 1.00 0.00 C ATOM 313 OE1 GLU A 442 2.644 -13.338 -1.587 1.00 0.00 O ATOM 314 OE2 GLU A 442 4.558 -14.337 -1.180 1.00 0.00 O ATOM 0 H GLU A 442 6.160 -10.259 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 442 3.925 -10.685 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 442 4.186 -10.436 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 442 2.812 -11.173 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 442 4.755 -12.610 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 442 5.612 -12.183 -1.994 1.00 0.00 H new ATOM 321 N ILE A 443 3.285 -8.097 -2.535 1.00 0.00 N ATOM 322 CA ILE A 443 2.442 -6.917 -2.394 1.00 0.00 C ATOM 323 C ILE A 443 2.369 -6.134 -3.701 1.00 0.00 C ATOM 324 O ILE A 443 1.291 -5.728 -4.137 1.00 0.00 O ATOM 325 CB ILE A 443 2.956 -5.987 -1.280 1.00 0.00 C ATOM 326 CG1 ILE A 443 2.982 -6.727 0.060 1.00 0.00 C ATOM 327 CG2 ILE A 443 2.088 -4.741 -1.186 1.00 0.00 C ATOM 328 CD1 ILE A 443 3.832 -6.046 1.109 1.00 0.00 C ATOM 0 H ILE A 443 3.944 -8.239 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 443 1.446 -7.271 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 443 3.973 -5.679 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 443 1.963 -6.820 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 443 3.357 -7.738 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 443 2.465 -4.094 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 443 2.115 -4.206 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 443 1.061 -5.029 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 443 3.804 -6.625 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 443 4.861 -5.977 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 443 3.445 -5.045 1.297 1.00 0.00 H new ATOM 340 N THR A 444 3.525 -5.924 -4.324 1.00 0.00 N ATOM 341 CA THR A 444 3.593 -5.191 -5.581 1.00 0.00 C ATOM 342 C THR A 444 2.648 -5.787 -6.618 1.00 0.00 C ATOM 343 O THR A 444 1.737 -5.115 -7.100 1.00 0.00 O ATOM 344 CB THR A 444 5.024 -5.185 -6.151 1.00 0.00 C ATOM 345 OG1 THR A 444 5.965 -4.893 -5.112 1.00 0.00 O ATOM 346 CG2 THR A 444 5.159 -4.159 -7.266 1.00 0.00 C ATOM 0 H THR A 444 4.427 -6.252 -3.978 1.00 0.00 H new ATOM 0 HA THR A 444 3.291 -4.166 -5.365 1.00 0.00 H new ATOM 0 HB THR A 444 5.231 -6.174 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 444 6.872 -4.893 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 444 6.178 -4.174 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.463 -4.401 -8.069 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.933 -3.166 -6.876 1.00 0.00 H new ATOM 354 N ALA A 445 2.870 -7.053 -6.956 1.00 0.00 N ATOM 355 CA ALA A 445 2.036 -7.740 -7.934 1.00 0.00 C ATOM 356 C ALA A 445 0.556 -7.567 -7.611 1.00 0.00 C ATOM 357 O ALA A 445 -0.267 -7.381 -8.508 1.00 0.00 O ATOM 358 CB ALA A 445 2.396 -9.217 -7.990 1.00 0.00 C ATOM 0 H ALA A 445 3.621 -7.624 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 445 2.223 -7.294 -8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 445 1.765 -9.718 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 445 3.442 -9.326 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 445 2.239 -9.667 -7.010 1.00 0.00 H new ATOM 364 N SER A 446 0.224 -7.629 -6.326 1.00 0.00 N ATOM 365 CA SER A 446 -1.159 -7.483 -5.885 1.00 0.00 C ATOM 366 C SER A 446 -1.707 -6.109 -6.261 1.00 0.00 C ATOM 367 O SER A 446 -2.897 -5.957 -6.537 1.00 0.00 O ATOM 368 CB SER A 446 -1.258 -7.688 -4.372 1.00 0.00 C ATOM 369 OG SER A 446 -1.363 -9.064 -4.050 1.00 0.00 O ATOM 0 H SER A 446 0.893 -7.779 -5.571 1.00 0.00 H new ATOM 0 HA SER A 446 -1.757 -8.243 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 446 -0.380 -7.264 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 446 -2.126 -7.153 -3.985 1.00 0.00 H new ATOM 0 HG SER A 446 -1.423 -9.169 -3.077 1.00 0.00 H new ATOM 375 N PHE A 447 -0.829 -5.111 -6.269 1.00 0.00 N ATOM 376 CA PHE A 447 -1.224 -3.749 -6.610 1.00 0.00 C ATOM 377 C PHE A 447 -0.413 -3.228 -7.793 1.00 0.00 C ATOM 378 O PHE A 447 -0.209 -2.022 -7.936 1.00 0.00 O ATOM 379 CB PHE A 447 -1.039 -2.826 -5.404 1.00 0.00 C ATOM 380 CG PHE A 447 -1.951 -3.151 -4.255 1.00 0.00 C ATOM 381 CD1 PHE A 447 -1.621 -4.150 -3.353 1.00 0.00 C ATOM 382 CD2 PHE A 447 -3.137 -2.456 -4.076 1.00 0.00 C ATOM 383 CE1 PHE A 447 -2.459 -4.451 -2.296 1.00 0.00 C ATOM 384 CE2 PHE A 447 -3.978 -2.753 -3.020 1.00 0.00 C ATOM 385 CZ PHE A 447 -3.638 -3.751 -2.128 1.00 0.00 C ATOM 0 H PHE A 447 0.160 -5.220 -6.043 1.00 0.00 H new ATOM 0 HA PHE A 447 -2.277 -3.761 -6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 447 -0.005 -2.887 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 447 -1.212 -1.796 -5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 447 -0.699 -4.699 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 447 -3.407 -1.673 -4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 447 -2.192 -5.234 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 447 -4.900 -2.205 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 447 -4.292 -3.984 -1.301 1.00 0.00 H new ATOM 395 N ARG A 448 0.048 -4.145 -8.637 1.00 0.00 N ATOM 396 CA ARG A 448 0.838 -3.780 -9.806 1.00 0.00 C ATOM 397 C ARG A 448 -0.058 -3.568 -11.023 1.00 0.00 C ATOM 398 O ARG A 448 0.104 -2.598 -11.764 1.00 0.00 O ATOM 399 CB ARG A 448 1.876 -4.863 -10.106 1.00 0.00 C ATOM 400 CG ARG A 448 2.655 -4.621 -11.388 1.00 0.00 C ATOM 401 CD ARG A 448 3.889 -3.769 -11.138 1.00 0.00 C ATOM 402 NE ARG A 448 4.628 -3.501 -12.369 1.00 0.00 N ATOM 403 CZ ARG A 448 5.874 -3.040 -12.393 1.00 0.00 C ATOM 404 NH1 ARG A 448 6.517 -2.799 -11.259 1.00 0.00 N ATOM 405 NH2 ARG A 448 6.479 -2.821 -13.553 1.00 0.00 N ATOM 0 H ARG A 448 -0.112 -5.147 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 448 1.353 -2.844 -9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 448 2.575 -4.925 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 448 1.373 -5.828 -10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 448 2.953 -5.576 -11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 448 2.013 -4.128 -12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 448 3.591 -2.825 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 448 4.541 -4.276 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 448 4.162 -3.677 -13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 448 6.055 -2.967 -10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 448 7.473 -2.445 -11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 448 5.988 -3.006 -14.427 1.00 0.00 H new ATOM 0 HH22 ARG A 448 7.435 -2.467 -13.571 1.00 0.00 H new ATOM 419 N ARG A 449 -1.003 -4.482 -11.222 1.00 0.00 N ATOM 420 CA ARG A 449 -1.923 -4.396 -12.350 1.00 0.00 C ATOM 421 C ARG A 449 -2.358 -2.953 -12.588 1.00 0.00 C ATOM 422 O ARG A 449 -2.306 -2.455 -13.712 1.00 0.00 O ATOM 423 CB ARG A 449 -3.150 -5.276 -12.102 1.00 0.00 C ATOM 424 CG ARG A 449 -3.943 -4.881 -10.868 1.00 0.00 C ATOM 425 CD ARG A 449 -5.033 -5.895 -10.558 1.00 0.00 C ATOM 426 NE ARG A 449 -6.145 -5.810 -11.501 1.00 0.00 N ATOM 427 CZ ARG A 449 -7.150 -6.677 -11.533 1.00 0.00 C ATOM 428 NH1 ARG A 449 -7.183 -7.691 -10.678 1.00 0.00 N ATOM 429 NH2 ARG A 449 -8.125 -6.532 -12.421 1.00 0.00 N ATOM 0 H ARG A 449 -1.151 -5.290 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 449 -1.403 -4.752 -13.239 1.00 0.00 H new ATOM 0 HB2 ARG A 449 -3.803 -5.228 -12.974 1.00 0.00 H new ATOM 0 HB3 ARG A 449 -2.829 -6.313 -12.001 1.00 0.00 H new ATOM 0 HG2 ARG A 449 -3.271 -4.795 -10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 449 -4.391 -3.899 -11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 449 -4.611 -6.900 -10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 449 -5.403 -5.731 -9.546 1.00 0.00 H new ATOM 0 HE ARG A 449 -6.150 -5.042 -12.172 1.00 0.00 H new ATOM 0 HH11 ARG A 449 -6.435 -7.806 -9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 449 -7.956 -8.356 -10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 449 -8.103 -5.754 -13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 449 -8.897 -7.199 -12.445 1.00 0.00 H new ATOM 443 N PHE A 450 -2.789 -2.287 -11.521 1.00 0.00 N ATOM 444 CA PHE A 450 -3.235 -0.902 -11.614 1.00 0.00 C ATOM 445 C PHE A 450 -2.166 -0.028 -12.264 1.00 0.00 C ATOM 446 O PHE A 450 -2.472 0.848 -13.072 1.00 0.00 O ATOM 447 CB PHE A 450 -3.577 -0.359 -10.225 1.00 0.00 C ATOM 448 CG PHE A 450 -4.633 -1.156 -9.513 1.00 0.00 C ATOM 449 CD1 PHE A 450 -5.976 -0.873 -9.700 1.00 0.00 C ATOM 450 CD2 PHE A 450 -4.282 -2.189 -8.659 1.00 0.00 C ATOM 451 CE1 PHE A 450 -6.950 -1.604 -9.046 1.00 0.00 C ATOM 452 CE2 PHE A 450 -5.252 -2.924 -8.002 1.00 0.00 C ATOM 453 CZ PHE A 450 -6.587 -2.632 -8.197 1.00 0.00 C ATOM 0 H PHE A 450 -2.839 -2.684 -10.583 1.00 0.00 H new ATOM 0 HA PHE A 450 -4.129 -0.876 -12.237 1.00 0.00 H new ATOM 0 HB2 PHE A 450 -2.673 -0.344 -9.617 1.00 0.00 H new ATOM 0 HB3 PHE A 450 -3.914 0.673 -10.320 1.00 0.00 H new ATOM 0 HD1 PHE A 450 -6.265 -0.072 -10.364 1.00 0.00 H new ATOM 0 HD2 PHE A 450 -3.239 -2.423 -8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 450 -7.994 -1.372 -9.198 1.00 0.00 H new ATOM 0 HE2 PHE A 450 -4.965 -3.725 -7.337 1.00 0.00 H new ATOM 0 HZ PHE A 450 -7.346 -3.206 -7.687 1.00 0.00 H new ATOM 463 N GLY A 451 -0.910 -0.274 -11.904 1.00 0.00 N ATOM 464 CA GLY A 451 0.186 0.498 -12.461 1.00 0.00 C ATOM 465 C GLY A 451 1.428 0.450 -11.593 1.00 0.00 C ATOM 466 O GLY A 451 1.361 0.202 -10.389 1.00 0.00 O ATOM 0 H GLY A 451 -0.632 -0.994 -11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 451 0.426 0.119 -13.454 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -0.129 1.534 -12.583 1.00 0.00 H new ATOM 470 N PRO A 452 2.595 0.689 -12.210 1.00 0.00 N ATOM 471 CA PRO A 452 3.880 0.676 -11.506 1.00 0.00 C ATOM 472 C PRO A 452 3.821 1.423 -10.178 1.00 0.00 C ATOM 473 O PRO A 452 3.477 2.605 -10.134 1.00 0.00 O ATOM 474 CB PRO A 452 4.825 1.387 -12.478 1.00 0.00 C ATOM 475 CG PRO A 452 4.244 1.131 -13.826 1.00 0.00 C ATOM 476 CD PRO A 452 2.749 0.990 -13.643 1.00 0.00 C ATOM 0 HA PRO A 452 4.193 -0.336 -11.249 1.00 0.00 H new ATOM 0 HB2 PRO A 452 4.880 2.455 -12.267 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.839 0.994 -12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.474 1.950 -14.507 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.666 0.226 -14.263 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.225 1.905 -13.918 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.344 0.192 -14.265 1.00 0.00 H new ATOM 484 N LEU A 453 4.157 0.727 -9.097 1.00 0.00 N ATOM 485 CA LEU A 453 4.143 1.325 -7.767 1.00 0.00 C ATOM 486 C LEU A 453 5.333 0.847 -6.942 1.00 0.00 C ATOM 487 O LEU A 453 6.193 0.118 -7.437 1.00 0.00 O ATOM 488 CB LEU A 453 2.838 0.983 -7.046 1.00 0.00 C ATOM 489 CG LEU A 453 2.719 -0.446 -6.516 1.00 0.00 C ATOM 490 CD1 LEU A 453 1.603 -0.543 -5.488 1.00 0.00 C ATOM 491 CD2 LEU A 453 2.479 -1.421 -7.659 1.00 0.00 C ATOM 0 H LEU A 453 4.442 -0.252 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 453 4.215 2.407 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 453 2.718 1.671 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 453 2.009 1.166 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 453 3.658 -0.711 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 453 1.533 -1.567 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 453 1.817 0.126 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 453 0.658 -0.257 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 453 2.397 -2.433 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 453 1.556 -1.157 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 453 3.312 -1.372 -8.360 1.00 0.00 H new ATOM 503 N VAL A 454 5.375 1.259 -5.679 1.00 0.00 N ATOM 504 CA VAL A 454 6.458 0.870 -4.783 1.00 0.00 C ATOM 505 C VAL A 454 5.933 0.569 -3.384 1.00 0.00 C ATOM 506 O VAL A 454 5.151 1.337 -2.824 1.00 0.00 O ATOM 507 CB VAL A 454 7.532 1.970 -4.690 1.00 0.00 C ATOM 508 CG1 VAL A 454 6.936 3.253 -4.130 1.00 0.00 C ATOM 509 CG2 VAL A 454 8.703 1.501 -3.839 1.00 0.00 C ATOM 0 H VAL A 454 4.671 1.862 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 454 6.906 -0.031 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 454 7.902 2.178 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 454 7.710 4.018 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 454 6.134 3.597 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 454 6.537 3.064 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 454 9.452 2.291 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 454 8.351 1.264 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 454 9.146 0.612 -4.288 1.00 0.00 H new ATOM 519 N VAL A 455 6.368 -0.556 -2.824 1.00 0.00 N ATOM 520 CA VAL A 455 5.943 -0.959 -1.489 1.00 0.00 C ATOM 521 C VAL A 455 6.856 -0.370 -0.420 1.00 0.00 C ATOM 522 O VAL A 455 8.079 -0.489 -0.500 1.00 0.00 O ATOM 523 CB VAL A 455 5.925 -2.493 -1.345 1.00 0.00 C ATOM 524 CG1 VAL A 455 5.173 -2.903 -0.088 1.00 0.00 C ATOM 525 CG2 VAL A 455 5.308 -3.136 -2.578 1.00 0.00 C ATOM 0 H VAL A 455 7.014 -1.204 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 455 4.932 -0.576 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 455 6.953 -2.844 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 455 5.171 -3.990 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 455 5.662 -2.472 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 455 4.146 -2.541 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 455 5.303 -4.220 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 455 4.285 -2.780 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.893 -2.870 -3.458 1.00 0.00 H new ATOM 535 N ASP A 456 6.254 0.265 0.579 1.00 0.00 N ATOM 536 CA ASP A 456 7.013 0.873 1.666 1.00 0.00 C ATOM 537 C ASP A 456 6.248 0.778 2.982 1.00 0.00 C ATOM 538 O ASP A 456 5.247 1.467 3.181 1.00 0.00 O ATOM 539 CB ASP A 456 7.322 2.336 1.346 1.00 0.00 C ATOM 540 CG ASP A 456 8.291 2.483 0.190 1.00 0.00 C ATOM 541 OD1 ASP A 456 9.511 2.339 0.416 1.00 0.00 O ATOM 542 OD2 ASP A 456 7.831 2.745 -0.942 1.00 0.00 O ATOM 0 H ASP A 456 5.243 0.372 0.659 1.00 0.00 H new ATOM 0 HA ASP A 456 7.950 0.327 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 456 6.395 2.856 1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 456 7.740 2.818 2.230 1.00 0.00 H new ATOM 547 N TRP A 457 6.724 -0.081 3.877 1.00 0.00 N ATOM 548 CA TRP A 457 6.084 -0.267 5.174 1.00 0.00 C ATOM 549 C TRP A 457 6.823 0.504 6.262 1.00 0.00 C ATOM 550 O TRP A 457 8.008 0.816 6.138 1.00 0.00 O ATOM 551 CB TRP A 457 6.031 -1.753 5.531 1.00 0.00 C ATOM 552 CG TRP A 457 7.311 -2.478 5.246 1.00 0.00 C ATOM 553 CD1 TRP A 457 8.228 -2.912 6.161 1.00 0.00 C ATOM 554 CD2 TRP A 457 7.816 -2.853 3.960 1.00 0.00 C ATOM 555 NE1 TRP A 457 9.273 -3.533 5.520 1.00 0.00 N ATOM 556 CE2 TRP A 457 9.043 -3.511 4.170 1.00 0.00 C ATOM 557 CE3 TRP A 457 7.349 -2.698 2.652 1.00 0.00 C ATOM 558 CZ2 TRP A 457 9.808 -4.011 3.119 1.00 0.00 C ATOM 559 CZ3 TRP A 457 8.110 -3.195 1.610 1.00 0.00 C ATOM 560 CH2 TRP A 457 9.328 -3.845 1.849 1.00 0.00 C ATOM 0 H TRP A 457 7.551 -0.659 3.728 1.00 0.00 H new ATOM 0 HA TRP A 457 5.067 0.120 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 457 5.791 -1.857 6.589 1.00 0.00 H new ATOM 0 HB3 TRP A 457 5.222 -2.225 4.973 1.00 0.00 H new ATOM 0 HD1 TRP A 457 8.144 -2.786 7.230 1.00 0.00 H new ATOM 0 HE1 TRP A 457 10.088 -3.944 5.976 1.00 0.00 H new ATOM 0 HE3 TRP A 457 6.411 -2.199 2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 457 10.747 -4.512 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 457 7.760 -3.080 0.595 1.00 0.00 H new ATOM 0 HH2 TRP A 457 9.899 -4.222 1.014 1.00 0.00 H new ATOM 571 N PRO A 458 6.111 0.820 7.353 1.00 0.00 N ATOM 572 CA PRO A 458 6.681 1.558 8.485 1.00 0.00 C ATOM 573 C PRO A 458 7.654 0.711 9.298 1.00 0.00 C ATOM 574 O PRO A 458 8.526 1.240 9.988 1.00 0.00 O ATOM 575 CB PRO A 458 5.454 1.920 9.326 1.00 0.00 C ATOM 576 CG PRO A 458 4.453 0.863 9.012 1.00 0.00 C ATOM 577 CD PRO A 458 4.694 0.480 7.568 1.00 0.00 C ATOM 0 HA PRO A 458 7.261 2.421 8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 458 5.693 1.935 10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 458 5.077 2.910 9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 458 4.574 0.002 9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 458 3.437 1.232 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 458 4.505 -0.580 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 458 4.042 1.033 6.892 1.00 0.00 H new ATOM 585 N HIS A 459 7.499 -0.606 9.213 1.00 0.00 N ATOM 586 CA HIS A 459 8.365 -1.527 9.941 1.00 0.00 C ATOM 587 C HIS A 459 9.473 -2.059 9.038 1.00 0.00 C ATOM 588 O HIS A 459 9.695 -3.267 8.955 1.00 0.00 O ATOM 589 CB HIS A 459 7.549 -2.689 10.506 1.00 0.00 C ATOM 590 CG HIS A 459 6.843 -2.360 11.785 1.00 0.00 C ATOM 591 ND1 HIS A 459 6.507 -3.311 12.726 1.00 0.00 N ATOM 592 CD2 HIS A 459 6.411 -1.176 12.278 1.00 0.00 C ATOM 593 CE1 HIS A 459 5.897 -2.726 13.741 1.00 0.00 C ATOM 594 NE2 HIS A 459 5.826 -1.430 13.495 1.00 0.00 N ATOM 0 H HIS A 459 6.782 -1.060 8.647 1.00 0.00 H new ATOM 0 HA HIS A 459 8.823 -0.981 10.765 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.813 -3.000 9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 459 8.211 -3.539 10.674 1.00 0.00 H new ATOM 0 HD2 HIS A 459 6.508 -0.211 11.803 1.00 0.00 H new ATOM 0 HE1 HIS A 459 5.520 -3.223 14.623 1.00 0.00 H new ATOM 0 HE2 HIS A 459 5.406 -0.732 14.108 1.00 0.00 H new ATOM 602 N LYS A 460 10.166 -1.150 8.361 1.00 0.00 N ATOM 603 CA LYS A 460 11.252 -1.526 7.464 1.00 0.00 C ATOM 604 C LYS A 460 12.608 -1.226 8.094 1.00 0.00 C ATOM 605 O LYS A 460 13.464 -2.104 8.197 1.00 0.00 O ATOM 606 CB LYS A 460 11.122 -0.784 6.132 1.00 0.00 C ATOM 607 CG LYS A 460 12.308 -0.984 5.205 1.00 0.00 C ATOM 608 CD LYS A 460 12.116 -2.195 4.307 1.00 0.00 C ATOM 609 CE LYS A 460 13.100 -2.190 3.147 1.00 0.00 C ATOM 610 NZ LYS A 460 12.694 -3.136 2.071 1.00 0.00 N ATOM 0 H LYS A 460 9.994 -0.146 8.417 1.00 0.00 H new ATOM 0 HA LYS A 460 11.184 -2.599 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 460 10.216 -1.119 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 460 11.002 0.281 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 460 12.446 -0.093 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 460 13.216 -1.108 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 460 12.245 -3.106 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 460 11.097 -2.205 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 460 13.172 -1.183 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 460 14.092 -2.458 3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 12.746 -2.657 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 13.333 -3.957 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.719 -3.456 2.240 1.00 0.00 H new ATOM 624 N ALA A 461 12.796 0.021 8.516 1.00 0.00 N ATOM 625 CA ALA A 461 14.047 0.435 9.140 1.00 0.00 C ATOM 626 C ALA A 461 14.396 -0.463 10.321 1.00 0.00 C ATOM 627 O ALA A 461 15.340 -1.250 10.255 1.00 0.00 O ATOM 628 CB ALA A 461 13.957 1.887 9.587 1.00 0.00 C ATOM 0 H ALA A 461 12.098 0.761 8.437 1.00 0.00 H new ATOM 0 HA ALA A 461 14.842 0.342 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 461 14.897 2.184 10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 461 13.763 2.522 8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 461 13.146 1.996 10.307 1.00 0.00 H new ATOM 634 N GLU A 462 13.629 -0.340 11.399 1.00 0.00 N ATOM 635 CA GLU A 462 13.859 -1.141 12.596 1.00 0.00 C ATOM 636 C GLU A 462 14.149 -2.594 12.230 1.00 0.00 C ATOM 637 O GLU A 462 15.220 -3.120 12.531 1.00 0.00 O ATOM 638 CB GLU A 462 12.647 -1.070 13.526 1.00 0.00 C ATOM 639 CG GLU A 462 12.703 0.085 14.512 1.00 0.00 C ATOM 640 CD GLU A 462 13.605 -0.202 15.696 1.00 0.00 C ATOM 641 OE1 GLU A 462 14.837 -0.048 15.555 1.00 0.00 O ATOM 642 OE2 GLU A 462 13.080 -0.581 16.764 1.00 0.00 O ATOM 0 H GLU A 462 12.843 0.306 11.469 1.00 0.00 H new ATOM 0 HA GLU A 462 14.728 -0.734 13.113 1.00 0.00 H new ATOM 0 HB2 GLU A 462 11.743 -0.979 12.924 1.00 0.00 H new ATOM 0 HB3 GLU A 462 12.569 -2.006 14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 462 13.057 0.979 13.999 1.00 0.00 H new ATOM 0 HG3 GLU A 462 11.697 0.301 14.871 1.00 0.00 H new ATOM 649 N SER A 463 13.185 -3.238 11.579 1.00 0.00 N ATOM 650 CA SER A 463 13.333 -4.631 11.175 1.00 0.00 C ATOM 651 C SER A 463 14.398 -4.772 10.092 1.00 0.00 C ATOM 652 O SER A 463 14.253 -4.245 8.989 1.00 0.00 O ATOM 653 CB SER A 463 11.999 -5.183 10.670 1.00 0.00 C ATOM 654 OG SER A 463 11.971 -6.598 10.744 1.00 0.00 O ATOM 0 H SER A 463 12.293 -2.817 11.320 1.00 0.00 H new ATOM 0 HA SER A 463 13.648 -5.205 12.047 1.00 0.00 H new ATOM 0 HB2 SER A 463 11.183 -4.769 11.262 1.00 0.00 H new ATOM 0 HB3 SER A 463 11.838 -4.866 9.640 1.00 0.00 H new ATOM 0 HG SER A 463 11.107 -6.926 10.417 1.00 0.00 H new ATOM 660 N LYS A 464 15.469 -5.489 10.414 1.00 0.00 N ATOM 661 CA LYS A 464 16.560 -5.703 9.470 1.00 0.00 C ATOM 662 C LYS A 464 16.283 -6.912 8.583 1.00 0.00 C ATOM 663 O LYS A 464 16.957 -7.937 8.685 1.00 0.00 O ATOM 664 CB LYS A 464 17.880 -5.899 10.220 1.00 0.00 C ATOM 665 CG LYS A 464 19.090 -5.370 9.470 1.00 0.00 C ATOM 666 CD LYS A 464 19.711 -6.439 8.588 1.00 0.00 C ATOM 667 CE LYS A 464 20.750 -7.252 9.345 1.00 0.00 C ATOM 668 NZ LYS A 464 20.121 -8.192 10.314 1.00 0.00 N ATOM 0 H LYS A 464 15.605 -5.932 11.322 1.00 0.00 H new ATOM 0 HA LYS A 464 16.637 -4.820 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 464 17.816 -5.401 11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 464 18.022 -6.962 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 464 18.795 -4.518 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 464 19.832 -5.009 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 464 18.931 -7.102 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 464 20.175 -5.971 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 464 21.358 -7.814 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 464 21.422 -6.578 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 20.791 -8.954 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 19.871 -7.679 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 19.262 -8.601 9.894 1.00 0.00 H new ATOM 682 N SER A 465 15.286 -6.785 7.712 1.00 0.00 N ATOM 683 CA SER A 465 14.919 -7.869 6.808 1.00 0.00 C ATOM 684 C SER A 465 13.967 -7.373 5.724 1.00 0.00 C ATOM 685 O SER A 465 13.326 -6.332 5.874 1.00 0.00 O ATOM 686 CB SER A 465 14.269 -9.014 7.588 1.00 0.00 C ATOM 687 OG SER A 465 14.398 -10.242 6.894 1.00 0.00 O ATOM 0 H SER A 465 14.719 -5.943 7.614 1.00 0.00 H new ATOM 0 HA SER A 465 15.828 -8.234 6.330 1.00 0.00 H new ATOM 0 HB2 SER A 465 14.733 -9.098 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 465 13.214 -8.794 7.751 1.00 0.00 H new ATOM 0 HG SER A 465 13.976 -10.958 7.414 1.00 0.00 H new ATOM 693 N TYR A 466 13.880 -8.125 4.633 1.00 0.00 N ATOM 694 CA TYR A 466 13.009 -7.762 3.522 1.00 0.00 C ATOM 695 C TYR A 466 11.602 -8.316 3.728 1.00 0.00 C ATOM 696 O TYR A 466 10.968 -8.798 2.790 1.00 0.00 O ATOM 697 CB TYR A 466 13.585 -8.281 2.204 1.00 0.00 C ATOM 698 CG TYR A 466 13.935 -9.752 2.234 1.00 0.00 C ATOM 699 CD1 TYR A 466 15.148 -10.187 2.752 1.00 0.00 C ATOM 700 CD2 TYR A 466 13.052 -10.706 1.744 1.00 0.00 C ATOM 701 CE1 TYR A 466 15.473 -11.529 2.781 1.00 0.00 C ATOM 702 CE2 TYR A 466 13.367 -12.051 1.770 1.00 0.00 C ATOM 703 CZ TYR A 466 14.579 -12.458 2.289 1.00 0.00 C ATOM 704 OH TYR A 466 14.897 -13.796 2.317 1.00 0.00 O ATOM 0 H TYR A 466 14.402 -8.990 4.494 1.00 0.00 H new ATOM 0 HA TYR A 466 12.949 -6.674 3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 466 12.863 -8.104 1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 466 14.479 -7.708 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 466 15.850 -9.463 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 466 12.103 -10.391 1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 466 16.421 -11.850 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 466 12.668 -12.780 1.386 1.00 0.00 H new ATOM 0 HH TYR A 466 14.160 -14.316 1.934 1.00 0.00 H new ATOM 714 N PHE A 467 11.120 -8.242 4.964 1.00 0.00 N ATOM 715 CA PHE A 467 9.789 -8.736 5.296 1.00 0.00 C ATOM 716 C PHE A 467 8.931 -7.626 5.897 1.00 0.00 C ATOM 717 O PHE A 467 9.403 -6.792 6.670 1.00 0.00 O ATOM 718 CB PHE A 467 9.886 -9.908 6.276 1.00 0.00 C ATOM 719 CG PHE A 467 10.103 -11.234 5.604 1.00 0.00 C ATOM 720 CD1 PHE A 467 11.358 -11.593 5.141 1.00 0.00 C ATOM 721 CD2 PHE A 467 9.051 -12.120 5.437 1.00 0.00 C ATOM 722 CE1 PHE A 467 11.561 -12.813 4.523 1.00 0.00 C ATOM 723 CE2 PHE A 467 9.248 -13.341 4.820 1.00 0.00 C ATOM 724 CZ PHE A 467 10.504 -13.688 4.361 1.00 0.00 C ATOM 0 H PHE A 467 11.631 -7.845 5.752 1.00 0.00 H new ATOM 0 HA PHE A 467 9.316 -9.079 4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 467 10.705 -9.723 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 467 8.971 -9.954 6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 467 12.187 -10.912 5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 467 8.067 -11.854 5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 467 12.545 -13.082 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 467 8.420 -14.024 4.697 1.00 0.00 H new ATOM 0 HZ PHE A 467 10.659 -14.641 3.877 1.00 0.00 H new ATOM 734 N PRO A 468 7.640 -7.614 5.534 1.00 0.00 N ATOM 735 CA PRO A 468 6.689 -6.613 6.025 1.00 0.00 C ATOM 736 C PRO A 468 6.187 -6.929 7.429 1.00 0.00 C ATOM 737 O PRO A 468 6.413 -8.014 7.965 1.00 0.00 O ATOM 738 CB PRO A 468 5.539 -6.691 5.016 1.00 0.00 C ATOM 739 CG PRO A 468 5.582 -8.088 4.501 1.00 0.00 C ATOM 740 CD PRO A 468 7.009 -8.578 4.616 1.00 0.00 C ATOM 0 HA PRO A 468 7.142 -5.624 6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 468 4.582 -6.473 5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 468 5.669 -5.968 4.211 1.00 0.00 H new ATOM 0 HG2 PRO A 468 4.911 -8.728 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 468 5.248 -8.124 3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 468 7.053 -9.593 5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 468 7.507 -8.591 3.646 1.00 0.00 H new ATOM 748 N PRO A 469 5.490 -5.961 8.042 1.00 0.00 N ATOM 749 CA PRO A 469 4.941 -6.113 9.393 1.00 0.00 C ATOM 750 C PRO A 469 3.753 -7.069 9.431 1.00 0.00 C ATOM 751 O PRO A 469 3.347 -7.613 8.404 1.00 0.00 O ATOM 752 CB PRO A 469 4.498 -4.695 9.758 1.00 0.00 C ATOM 753 CG PRO A 469 4.211 -4.039 8.451 1.00 0.00 C ATOM 754 CD PRO A 469 5.183 -4.642 7.463 1.00 0.00 C ATOM 0 HA PRO A 469 5.670 -6.537 10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 469 3.615 -4.708 10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 469 5.278 -4.165 10.304 1.00 0.00 H new ATOM 0 HG2 PRO A 469 3.181 -4.216 8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 469 4.342 -2.959 8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 469 4.742 -4.733 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 469 6.080 -4.031 7.359 1.00 0.00 H new ATOM 762 N LYS A 470 3.199 -7.269 10.622 1.00 0.00 N ATOM 763 CA LYS A 470 2.056 -8.157 10.795 1.00 0.00 C ATOM 764 C LYS A 470 1.144 -8.114 9.573 1.00 0.00 C ATOM 765 O LYS A 470 1.005 -9.103 8.855 1.00 0.00 O ATOM 766 CB LYS A 470 1.268 -7.770 12.048 1.00 0.00 C ATOM 767 CG LYS A 470 1.864 -8.313 13.335 1.00 0.00 C ATOM 768 CD LYS A 470 3.111 -7.545 13.739 1.00 0.00 C ATOM 769 CE LYS A 470 3.458 -7.776 15.202 1.00 0.00 C ATOM 770 NZ LYS A 470 4.708 -7.069 15.594 1.00 0.00 N ATOM 0 H LYS A 470 3.524 -6.828 11.482 1.00 0.00 H new ATOM 0 HA LYS A 470 2.432 -9.174 10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 470 1.216 -6.683 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 470 0.245 -8.133 11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 470 1.124 -8.253 14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 470 2.110 -9.367 13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 470 3.948 -7.853 13.112 1.00 0.00 H new ATOM 0 HD3 LYS A 470 2.957 -6.480 13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 470 2.635 -7.433 15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 470 3.573 -8.845 15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 4.910 -7.252 16.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 5.499 -7.414 15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 4.590 -6.047 15.445 1.00 0.00 H new ATOM 784 N GLY A 471 0.524 -6.960 9.343 1.00 0.00 N ATOM 785 CA GLY A 471 -0.366 -6.810 8.207 1.00 0.00 C ATOM 786 C GLY A 471 -0.761 -5.367 7.967 1.00 0.00 C ATOM 787 O GLY A 471 -1.900 -4.976 8.224 1.00 0.00 O ATOM 0 H GLY A 471 0.623 -6.127 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 471 0.120 -7.204 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -1.263 -7.407 8.371 1.00 0.00 H new ATOM 791 N TYR A 472 0.182 -4.571 7.475 1.00 0.00 N ATOM 792 CA TYR A 472 -0.072 -3.161 7.204 1.00 0.00 C ATOM 793 C TYR A 472 1.129 -2.512 6.523 1.00 0.00 C ATOM 794 O TYR A 472 2.236 -2.512 7.061 1.00 0.00 O ATOM 795 CB TYR A 472 -0.398 -2.421 8.503 1.00 0.00 C ATOM 796 CG TYR A 472 0.645 -2.604 9.582 1.00 0.00 C ATOM 797 CD1 TYR A 472 0.594 -3.689 10.449 1.00 0.00 C ATOM 798 CD2 TYR A 472 1.683 -1.693 9.733 1.00 0.00 C ATOM 799 CE1 TYR A 472 1.545 -3.859 11.437 1.00 0.00 C ATOM 800 CE2 TYR A 472 2.639 -1.856 10.717 1.00 0.00 C ATOM 801 CZ TYR A 472 2.565 -2.940 11.567 1.00 0.00 C ATOM 802 OH TYR A 472 3.515 -3.107 12.548 1.00 0.00 O ATOM 0 H TYR A 472 1.130 -4.878 7.256 1.00 0.00 H new ATOM 0 HA TYR A 472 -0.927 -3.095 6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -0.504 -1.358 8.289 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.361 -2.768 8.877 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.202 -4.412 10.349 1.00 0.00 H new ATOM 0 HD2 TYR A 472 1.744 -0.843 9.070 1.00 0.00 H new ATOM 0 HE1 TYR A 472 1.490 -4.707 12.104 1.00 0.00 H new ATOM 0 HE2 TYR A 472 3.440 -1.139 10.820 1.00 0.00 H new ATOM 0 HH TYR A 472 3.634 -4.063 12.729 1.00 0.00 H new ATOM 812 N ALA A 473 0.901 -1.958 5.337 1.00 0.00 N ATOM 813 CA ALA A 473 1.962 -1.302 4.583 1.00 0.00 C ATOM 814 C ALA A 473 1.425 -0.103 3.809 1.00 0.00 C ATOM 815 O ALA A 473 0.214 0.093 3.710 1.00 0.00 O ATOM 816 CB ALA A 473 2.624 -2.291 3.635 1.00 0.00 C ATOM 0 H ALA A 473 -0.010 -1.950 4.877 1.00 0.00 H new ATOM 0 HA ALA A 473 2.707 -0.940 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 473 3.414 -1.788 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 473 3.051 -3.114 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 473 1.881 -2.681 2.939 1.00 0.00 H new ATOM 822 N PHE A 474 2.334 0.696 3.261 1.00 0.00 N ATOM 823 CA PHE A 474 1.951 1.878 2.497 1.00 0.00 C ATOM 824 C PHE A 474 2.378 1.743 1.038 1.00 0.00 C ATOM 825 O PHE A 474 3.561 1.580 0.737 1.00 0.00 O ATOM 826 CB PHE A 474 2.577 3.133 3.109 1.00 0.00 C ATOM 827 CG PHE A 474 1.927 3.561 4.394 1.00 0.00 C ATOM 828 CD1 PHE A 474 0.819 4.393 4.381 1.00 0.00 C ATOM 829 CD2 PHE A 474 2.424 3.131 5.614 1.00 0.00 C ATOM 830 CE1 PHE A 474 0.220 4.789 5.562 1.00 0.00 C ATOM 831 CE2 PHE A 474 1.828 3.524 6.798 1.00 0.00 C ATOM 832 CZ PHE A 474 0.724 4.353 6.771 1.00 0.00 C ATOM 0 H PHE A 474 3.341 0.547 3.331 1.00 0.00 H new ATOM 0 HA PHE A 474 0.865 1.968 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 474 3.636 2.950 3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 474 2.513 3.949 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 474 0.419 4.736 3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 474 3.287 2.482 5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -0.642 5.439 5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 474 2.225 3.183 7.743 1.00 0.00 H new ATOM 0 HZ PHE A 474 0.255 4.660 7.694 1.00 0.00 H new ATOM 842 N LEU A 475 1.406 1.813 0.135 1.00 0.00 N ATOM 843 CA LEU A 475 1.679 1.698 -1.294 1.00 0.00 C ATOM 844 C LEU A 475 1.720 3.074 -1.952 1.00 0.00 C ATOM 845 O LEU A 475 0.748 3.829 -1.897 1.00 0.00 O ATOM 846 CB LEU A 475 0.617 0.828 -1.968 1.00 0.00 C ATOM 847 CG LEU A 475 0.342 -0.525 -1.311 1.00 0.00 C ATOM 848 CD1 LEU A 475 -0.912 -1.156 -1.894 1.00 0.00 C ATOM 849 CD2 LEU A 475 1.537 -1.453 -1.481 1.00 0.00 C ATOM 0 H LEU A 475 0.422 1.949 0.367 1.00 0.00 H new ATOM 0 HA LEU A 475 2.655 1.228 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 475 -0.317 1.390 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 475 0.921 0.653 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 475 0.181 -0.364 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 475 -1.092 -2.118 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 475 -1.764 -0.499 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 475 -0.780 -1.304 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.324 -2.411 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 475 1.729 -1.608 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 475 2.415 -1.005 -1.015 1.00 0.00 H new ATOM 861 N LEU A 476 2.848 3.392 -2.576 1.00 0.00 N ATOM 862 CA LEU A 476 3.015 4.676 -3.248 1.00 0.00 C ATOM 863 C LEU A 476 2.883 4.521 -4.760 1.00 0.00 C ATOM 864 O LEU A 476 3.868 4.278 -5.458 1.00 0.00 O ATOM 865 CB LEU A 476 4.376 5.282 -2.903 1.00 0.00 C ATOM 866 CG LEU A 476 4.590 5.660 -1.437 1.00 0.00 C ATOM 867 CD1 LEU A 476 6.075 5.780 -1.128 1.00 0.00 C ATOM 868 CD2 LEU A 476 3.869 6.959 -1.110 1.00 0.00 C ATOM 0 H LEU A 476 3.661 2.779 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 476 2.228 5.345 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 476 5.151 4.572 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 476 4.519 6.175 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 476 4.172 4.869 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 476 6.208 6.050 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 476 6.565 4.826 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 476 6.517 6.550 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 476 4.033 7.212 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 476 4.256 7.759 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 476 2.801 6.838 -1.292 1.00 0.00 H new ATOM 880 N PHE A 477 1.660 4.665 -5.260 1.00 0.00 N ATOM 881 CA PHE A 477 1.400 4.541 -6.690 1.00 0.00 C ATOM 882 C PHE A 477 2.044 5.690 -7.461 1.00 0.00 C ATOM 883 O PHE A 477 1.491 6.786 -7.537 1.00 0.00 O ATOM 884 CB PHE A 477 -0.107 4.516 -6.955 1.00 0.00 C ATOM 885 CG PHE A 477 -0.762 3.221 -6.568 1.00 0.00 C ATOM 886 CD1 PHE A 477 -0.751 2.139 -7.434 1.00 0.00 C ATOM 887 CD2 PHE A 477 -1.388 3.085 -5.340 1.00 0.00 C ATOM 888 CE1 PHE A 477 -1.354 0.946 -7.081 1.00 0.00 C ATOM 889 CE2 PHE A 477 -1.992 1.895 -4.981 1.00 0.00 C ATOM 890 CZ PHE A 477 -1.974 0.823 -5.853 1.00 0.00 C ATOM 0 H PHE A 477 0.834 4.867 -4.697 1.00 0.00 H new ATOM 0 HA PHE A 477 1.838 3.604 -7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.578 5.331 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -0.285 4.702 -8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -0.266 2.229 -8.395 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -1.404 3.919 -4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -1.340 0.111 -7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -2.477 1.803 -4.021 1.00 0.00 H new ATOM 0 HZ PHE A 477 -2.444 -0.109 -5.575 1.00 0.00 H new ATOM 900 N GLN A 478 3.216 5.428 -8.030 1.00 0.00 N ATOM 901 CA GLN A 478 3.936 6.439 -8.794 1.00 0.00 C ATOM 902 C GLN A 478 2.968 7.341 -9.553 1.00 0.00 C ATOM 903 O GLN A 478 2.987 8.561 -9.394 1.00 0.00 O ATOM 904 CB GLN A 478 4.907 5.775 -9.773 1.00 0.00 C ATOM 905 CG GLN A 478 5.860 6.752 -10.442 1.00 0.00 C ATOM 906 CD GLN A 478 7.187 6.116 -10.805 1.00 0.00 C ATOM 907 OE1 GLN A 478 7.230 5.037 -11.397 1.00 0.00 O ATOM 908 NE2 GLN A 478 8.280 6.782 -10.453 1.00 0.00 N ATOM 0 H GLN A 478 3.687 4.525 -7.976 1.00 0.00 H new ATOM 0 HA GLN A 478 4.501 7.052 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 478 5.487 5.021 -9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 478 4.336 5.254 -10.541 1.00 0.00 H new ATOM 0 HG2 GLN A 478 5.393 7.150 -11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 478 6.036 7.596 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 478 8.199 7.673 -9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 478 9.201 6.403 -10.672 1.00 0.00 H new ATOM 917 N GLU A 479 2.123 6.731 -10.379 1.00 0.00 N ATOM 918 CA GLU A 479 1.148 7.479 -11.163 1.00 0.00 C ATOM 919 C GLU A 479 -0.156 7.653 -10.389 1.00 0.00 C ATOM 920 O GLU A 479 -0.909 6.698 -10.202 1.00 0.00 O ATOM 921 CB GLU A 479 0.875 6.769 -12.491 1.00 0.00 C ATOM 922 CG GLU A 479 1.833 7.164 -13.601 1.00 0.00 C ATOM 923 CD GLU A 479 1.326 6.774 -14.976 1.00 0.00 C ATOM 924 OE1 GLU A 479 0.095 6.790 -15.182 1.00 0.00 O ATOM 925 OE2 GLU A 479 2.162 6.452 -15.846 1.00 0.00 O ATOM 0 H GLU A 479 2.094 5.721 -10.522 1.00 0.00 H new ATOM 0 HA GLU A 479 1.564 8.466 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 479 0.936 5.692 -12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 479 -0.145 6.988 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 479 1.995 8.241 -13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 479 2.800 6.691 -13.427 1.00 0.00 H new ATOM 932 N GLU A 480 -0.412 8.878 -9.941 1.00 0.00 N ATOM 933 CA GLU A 480 -1.624 9.176 -9.186 1.00 0.00 C ATOM 934 C GLU A 480 -2.834 8.479 -9.801 1.00 0.00 C ATOM 935 O GLU A 480 -3.661 7.907 -9.092 1.00 0.00 O ATOM 936 CB GLU A 480 -1.861 10.686 -9.136 1.00 0.00 C ATOM 937 CG GLU A 480 -1.205 11.367 -7.946 1.00 0.00 C ATOM 938 CD GLU A 480 -1.277 12.879 -8.027 1.00 0.00 C ATOM 939 OE1 GLU A 480 -2.272 13.452 -7.534 1.00 0.00 O ATOM 940 OE2 GLU A 480 -0.340 13.490 -8.581 1.00 0.00 O ATOM 0 H GLU A 480 0.202 9.679 -10.087 1.00 0.00 H new ATOM 0 HA GLU A 480 -1.490 8.803 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 480 -1.483 11.135 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 480 -2.934 10.876 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 480 -1.689 11.033 -7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 480 -0.161 11.059 -7.886 1.00 0.00 H new ATOM 947 N SER A 481 -2.930 8.533 -11.126 1.00 0.00 N ATOM 948 CA SER A 481 -4.041 7.912 -11.838 1.00 0.00 C ATOM 949 C SER A 481 -4.413 6.575 -11.203 1.00 0.00 C ATOM 950 O SER A 481 -5.569 6.343 -10.852 1.00 0.00 O ATOM 951 CB SER A 481 -3.680 7.708 -13.310 1.00 0.00 C ATOM 952 OG SER A 481 -4.586 6.818 -13.939 1.00 0.00 O ATOM 0 H SER A 481 -2.252 9.000 -11.728 1.00 0.00 H new ATOM 0 HA SER A 481 -4.901 8.578 -11.772 1.00 0.00 H new ATOM 0 HB2 SER A 481 -3.691 8.668 -13.827 1.00 0.00 H new ATOM 0 HB3 SER A 481 -2.666 7.315 -13.388 1.00 0.00 H new ATOM 0 HG SER A 481 -4.334 6.706 -14.879 1.00 0.00 H new ATOM 958 N SER A 482 -3.423 5.699 -11.061 1.00 0.00 N ATOM 959 CA SER A 482 -3.646 4.384 -10.472 1.00 0.00 C ATOM 960 C SER A 482 -4.523 4.486 -9.228 1.00 0.00 C ATOM 961 O SER A 482 -5.542 3.806 -9.115 1.00 0.00 O ATOM 962 CB SER A 482 -2.310 3.728 -10.117 1.00 0.00 C ATOM 963 OG SER A 482 -1.694 3.171 -11.264 1.00 0.00 O ATOM 0 H SER A 482 -2.460 5.876 -11.346 1.00 0.00 H new ATOM 0 HA SER A 482 -4.162 3.767 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 482 -1.647 4.467 -9.667 1.00 0.00 H new ATOM 0 HB3 SER A 482 -2.471 2.949 -9.372 1.00 0.00 H new ATOM 0 HG SER A 482 -0.736 3.050 -11.095 1.00 0.00 H new ATOM 969 N VAL A 483 -4.117 5.342 -8.295 1.00 0.00 N ATOM 970 CA VAL A 483 -4.865 5.536 -7.059 1.00 0.00 C ATOM 971 C VAL A 483 -6.367 5.497 -7.313 1.00 0.00 C ATOM 972 O VAL A 483 -7.080 4.667 -6.750 1.00 0.00 O ATOM 973 CB VAL A 483 -4.504 6.875 -6.388 1.00 0.00 C ATOM 974 CG1 VAL A 483 -5.305 7.066 -5.110 1.00 0.00 C ATOM 975 CG2 VAL A 483 -3.010 6.943 -6.106 1.00 0.00 C ATOM 0 H VAL A 483 -3.274 5.912 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 483 -4.591 4.718 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 483 -4.759 7.684 -7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 483 -5.036 8.017 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 483 -6.370 7.064 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 483 -5.085 6.254 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 483 -2.772 7.895 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 483 -2.728 6.126 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 483 -2.459 6.856 -7.042 1.00 0.00 H new ATOM 985 N GLN A 484 -6.841 6.400 -8.166 1.00 0.00 N ATOM 986 CA GLN A 484 -8.260 6.468 -8.495 1.00 0.00 C ATOM 987 C GLN A 484 -8.807 5.086 -8.837 1.00 0.00 C ATOM 988 O GLN A 484 -9.677 4.563 -8.142 1.00 0.00 O ATOM 989 CB GLN A 484 -8.488 7.424 -9.667 1.00 0.00 C ATOM 990 CG GLN A 484 -9.955 7.715 -9.938 1.00 0.00 C ATOM 991 CD GLN A 484 -10.543 8.711 -8.958 1.00 0.00 C ATOM 992 OE1 GLN A 484 -10.302 9.914 -9.059 1.00 0.00 O ATOM 993 NE2 GLN A 484 -11.321 8.214 -8.003 1.00 0.00 N ATOM 0 H GLN A 484 -6.264 7.094 -8.641 1.00 0.00 H new ATOM 0 HA GLN A 484 -8.792 6.843 -7.621 1.00 0.00 H new ATOM 0 HB2 GLN A 484 -7.971 8.362 -9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 484 -8.039 6.999 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 484 -10.064 8.101 -10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 484 -10.521 6.785 -9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 484 -11.494 7.210 -7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 484 -11.746 8.837 -7.316 1.00 0.00 H new ATOM 1002 N ALA A 485 -8.290 4.500 -9.912 1.00 0.00 N ATOM 1003 CA ALA A 485 -8.725 3.178 -10.345 1.00 0.00 C ATOM 1004 C ALA A 485 -8.856 2.227 -9.160 1.00 0.00 C ATOM 1005 O ALA A 485 -9.872 1.549 -9.004 1.00 0.00 O ATOM 1006 CB ALA A 485 -7.756 2.613 -11.372 1.00 0.00 C ATOM 0 H ALA A 485 -7.569 4.920 -10.499 1.00 0.00 H new ATOM 0 HA ALA A 485 -9.707 3.280 -10.806 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -8.094 1.625 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 485 -7.716 3.275 -12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -6.763 2.533 -10.930 1.00 0.00 H new ATOM 1012 N LEU A 486 -7.822 2.182 -8.327 1.00 0.00 N ATOM 1013 CA LEU A 486 -7.821 1.313 -7.155 1.00 0.00 C ATOM 1014 C LEU A 486 -9.057 1.557 -6.295 1.00 0.00 C ATOM 1015 O LEU A 486 -9.838 0.640 -6.041 1.00 0.00 O ATOM 1016 CB LEU A 486 -6.556 1.544 -6.326 1.00 0.00 C ATOM 1017 CG LEU A 486 -6.328 0.575 -5.165 1.00 0.00 C ATOM 1018 CD1 LEU A 486 -5.948 -0.802 -5.685 1.00 0.00 C ATOM 1019 CD2 LEU A 486 -5.255 1.109 -4.228 1.00 0.00 C ATOM 0 H LEU A 486 -6.974 2.737 -8.441 1.00 0.00 H new ATOM 0 HA LEU A 486 -7.839 0.279 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 486 -5.695 1.491 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 486 -6.588 2.558 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 486 -7.259 0.484 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 486 -5.790 -1.478 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 486 -6.750 -1.187 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 486 -5.031 -0.730 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 486 -5.106 0.407 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 486 -4.321 1.230 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 486 -5.569 2.073 -3.828 1.00 0.00 H new ATOM 1031 N ILE A 487 -9.228 2.798 -5.853 1.00 0.00 N ATOM 1032 CA ILE A 487 -10.371 3.162 -5.024 1.00 0.00 C ATOM 1033 C ILE A 487 -11.672 2.641 -5.624 1.00 0.00 C ATOM 1034 O ILE A 487 -12.422 1.915 -4.970 1.00 0.00 O ATOM 1035 CB ILE A 487 -10.475 4.689 -4.849 1.00 0.00 C ATOM 1036 CG1 ILE A 487 -9.186 5.243 -4.237 1.00 0.00 C ATOM 1037 CG2 ILE A 487 -11.674 5.042 -3.982 1.00 0.00 C ATOM 1038 CD1 ILE A 487 -9.080 6.750 -4.313 1.00 0.00 C ATOM 0 H ILE A 487 -8.590 3.568 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 487 -10.213 2.702 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 487 -10.614 5.144 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 487 -9.127 4.935 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 487 -8.331 4.800 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 487 -11.734 6.124 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 487 -12.585 4.676 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 487 -11.563 4.579 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 487 -8.142 7.072 -3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 487 -9.106 7.064 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 487 -9.915 7.201 -3.777 1.00 0.00 H new ATOM 1050 N ASP A 488 -11.933 3.014 -6.872 1.00 0.00 N ATOM 1051 CA ASP A 488 -13.143 2.582 -7.562 1.00 0.00 C ATOM 1052 C ASP A 488 -13.375 1.087 -7.368 1.00 0.00 C ATOM 1053 O ASP A 488 -14.493 0.652 -7.096 1.00 0.00 O ATOM 1054 CB ASP A 488 -13.050 2.908 -9.053 1.00 0.00 C ATOM 1055 CG ASP A 488 -14.386 2.784 -9.758 1.00 0.00 C ATOM 1056 OD1 ASP A 488 -15.424 3.037 -9.111 1.00 0.00 O ATOM 1057 OD2 ASP A 488 -14.394 2.436 -10.957 1.00 0.00 O ATOM 0 H ASP A 488 -11.323 3.615 -7.427 1.00 0.00 H new ATOM 0 HA ASP A 488 -13.988 3.121 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 488 -12.670 3.922 -9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 488 -12.331 2.238 -9.524 1.00 0.00 H new ATOM 1062 N ALA A 489 -12.310 0.305 -7.512 1.00 0.00 N ATOM 1063 CA ALA A 489 -12.396 -1.141 -7.352 1.00 0.00 C ATOM 1064 C ALA A 489 -12.630 -1.519 -5.894 1.00 0.00 C ATOM 1065 O ALA A 489 -13.393 -2.439 -5.596 1.00 0.00 O ATOM 1066 CB ALA A 489 -11.132 -1.807 -7.876 1.00 0.00 C ATOM 0 H ALA A 489 -11.377 0.649 -7.739 1.00 0.00 H new ATOM 0 HA ALA A 489 -13.247 -1.496 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 489 -11.211 -2.887 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 489 -11.009 -1.573 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 489 -10.270 -1.439 -7.320 1.00 0.00 H new ATOM 1072 N CYS A 490 -11.970 -0.805 -4.989 1.00 0.00 N ATOM 1073 CA CYS A 490 -12.105 -1.068 -3.561 1.00 0.00 C ATOM 1074 C CYS A 490 -13.542 -0.846 -3.101 1.00 0.00 C ATOM 1075 O CYS A 490 -13.993 0.292 -2.963 1.00 0.00 O ATOM 1076 CB CYS A 490 -11.158 -0.169 -2.764 1.00 0.00 C ATOM 1077 SG CYS A 490 -9.416 -0.348 -3.216 1.00 0.00 S ATOM 0 H CYS A 490 -11.336 -0.040 -5.219 1.00 0.00 H new ATOM 0 HA CYS A 490 -11.842 -2.111 -3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 490 -11.454 0.870 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 490 -11.272 -0.390 -1.703 1.00 0.00 H new ATOM 0 HG CYS A 490 -9.279 -0.168 -4.496 1.00 0.00 H new ATOM 1083 N LEU A 491 -14.258 -1.940 -2.867 1.00 0.00 N ATOM 1084 CA LEU A 491 -15.646 -1.867 -2.425 1.00 0.00 C ATOM 1085 C LEU A 491 -15.785 -0.944 -1.218 1.00 0.00 C ATOM 1086 O LEU A 491 -14.803 -0.641 -0.542 1.00 0.00 O ATOM 1087 CB LEU A 491 -16.166 -3.262 -2.077 1.00 0.00 C ATOM 1088 CG LEU A 491 -16.031 -4.322 -3.171 1.00 0.00 C ATOM 1089 CD1 LEU A 491 -16.160 -5.718 -2.582 1.00 0.00 C ATOM 1090 CD2 LEU A 491 -17.072 -4.101 -4.259 1.00 0.00 C ATOM 0 H LEU A 491 -13.900 -2.889 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 491 -16.240 -1.459 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -15.638 -3.614 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -17.219 -3.179 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 491 -15.041 -4.230 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -16.061 -6.458 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -15.376 -5.874 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -17.135 -5.824 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -16.961 -4.864 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -18.070 -4.165 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -16.931 -3.115 -4.702 1.00 0.00 H new ATOM 1102 N GLU A 492 -17.011 -0.504 -0.953 1.00 0.00 N ATOM 1103 CA GLU A 492 -17.277 0.382 0.174 1.00 0.00 C ATOM 1104 C GLU A 492 -18.387 -0.179 1.058 1.00 0.00 C ATOM 1105 O GLU A 492 -19.374 -0.722 0.562 1.00 0.00 O ATOM 1106 CB GLU A 492 -17.663 1.776 -0.325 1.00 0.00 C ATOM 1107 CG GLU A 492 -17.729 2.820 0.776 1.00 0.00 C ATOM 1108 CD GLU A 492 -17.445 4.221 0.270 1.00 0.00 C ATOM 1109 OE1 GLU A 492 -16.736 4.350 -0.750 1.00 0.00 O ATOM 1110 OE2 GLU A 492 -17.931 5.188 0.893 1.00 0.00 O ATOM 0 H GLU A 492 -17.835 -0.746 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 492 -16.366 0.455 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 492 -16.941 2.097 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 492 -18.633 1.720 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 492 -18.718 2.797 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 492 -17.010 2.567 1.555 1.00 0.00 H new ATOM 1117 N GLU A 493 -18.216 -0.045 2.369 1.00 0.00 N ATOM 1118 CA GLU A 493 -19.202 -0.540 3.322 1.00 0.00 C ATOM 1119 C GLU A 493 -19.799 0.606 4.133 1.00 0.00 C ATOM 1120 O GLU A 493 -20.938 1.016 3.903 1.00 0.00 O ATOM 1121 CB GLU A 493 -18.566 -1.566 4.262 1.00 0.00 C ATOM 1122 CG GLU A 493 -19.521 -2.101 5.316 1.00 0.00 C ATOM 1123 CD GLU A 493 -20.647 -2.922 4.720 1.00 0.00 C ATOM 1124 OE1 GLU A 493 -21.541 -2.327 4.081 1.00 0.00 O ATOM 1125 OE2 GLU A 493 -20.636 -4.159 4.892 1.00 0.00 O ATOM 0 H GLU A 493 -17.404 0.402 2.795 1.00 0.00 H new ATOM 0 HA GLU A 493 -20.003 -1.020 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -18.186 -2.400 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -17.709 -1.110 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -18.966 -2.714 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -19.942 -1.266 5.876 1.00 0.00 H new ATOM 1132 N ASP A 494 -19.023 1.119 5.081 1.00 0.00 N ATOM 1133 CA ASP A 494 -19.474 2.219 5.926 1.00 0.00 C ATOM 1134 C ASP A 494 -18.436 3.336 5.963 1.00 0.00 C ATOM 1135 O ASP A 494 -17.789 3.563 6.985 1.00 0.00 O ATOM 1136 CB ASP A 494 -19.755 1.719 7.344 1.00 0.00 C ATOM 1137 CG ASP A 494 -20.302 2.809 8.245 1.00 0.00 C ATOM 1138 OD1 ASP A 494 -21.260 3.496 7.831 1.00 0.00 O ATOM 1139 OD2 ASP A 494 -19.773 2.975 9.364 1.00 0.00 O ATOM 0 H ASP A 494 -18.079 0.791 5.284 1.00 0.00 H new ATOM 0 HA ASP A 494 -20.395 2.618 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 494 -20.468 0.896 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 494 -18.836 1.323 7.775 1.00 0.00 H new ATOM 1144 N GLY A 495 -18.282 4.032 4.841 1.00 0.00 N ATOM 1145 CA GLY A 495 -17.320 5.116 4.766 1.00 0.00 C ATOM 1146 C GLY A 495 -15.925 4.631 4.426 1.00 0.00 C ATOM 1147 O GLY A 495 -15.120 5.376 3.866 1.00 0.00 O ATOM 0 H GLY A 495 -18.806 3.865 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 495 -17.645 5.834 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 495 -17.296 5.643 5.720 1.00 0.00 H new ATOM 1151 N LYS A 496 -15.636 3.380 4.767 1.00 0.00 N ATOM 1152 CA LYS A 496 -14.328 2.795 4.495 1.00 0.00 C ATOM 1153 C LYS A 496 -14.382 1.886 3.271 1.00 0.00 C ATOM 1154 O LYS A 496 -15.439 1.359 2.923 1.00 0.00 O ATOM 1155 CB LYS A 496 -13.838 2.004 5.710 1.00 0.00 C ATOM 1156 CG LYS A 496 -13.495 2.876 6.906 1.00 0.00 C ATOM 1157 CD LYS A 496 -13.357 2.052 8.175 1.00 0.00 C ATOM 1158 CE LYS A 496 -13.708 2.868 9.410 1.00 0.00 C ATOM 1159 NZ LYS A 496 -12.634 3.841 9.755 1.00 0.00 N ATOM 0 H LYS A 496 -16.290 2.751 5.233 1.00 0.00 H new ATOM 0 HA LYS A 496 -13.630 3.607 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 496 -14.607 1.288 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 496 -12.957 1.428 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 496 -12.564 3.409 6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 496 -14.271 3.629 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 496 -14.008 1.180 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 496 -12.335 1.682 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 496 -14.642 3.403 9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 496 -13.875 2.198 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 496 -12.911 4.378 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 496 -11.749 3.329 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 496 -12.492 4.497 8.961 1.00 0.00 H new ATOM 1173 N LEU A 497 -13.236 1.706 2.623 1.00 0.00 N ATOM 1174 CA LEU A 497 -13.153 0.859 1.439 1.00 0.00 C ATOM 1175 C LEU A 497 -12.566 -0.506 1.785 1.00 0.00 C ATOM 1176 O LEU A 497 -12.146 -0.742 2.918 1.00 0.00 O ATOM 1177 CB LEU A 497 -12.301 1.535 0.363 1.00 0.00 C ATOM 1178 CG LEU A 497 -12.703 2.961 -0.014 1.00 0.00 C ATOM 1179 CD1 LEU A 497 -11.545 3.682 -0.686 1.00 0.00 C ATOM 1180 CD2 LEU A 497 -13.925 2.947 -0.922 1.00 0.00 C ATOM 0 H LEU A 497 -12.352 2.135 2.898 1.00 0.00 H new ATOM 0 HA LEU A 497 -14.163 0.713 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -11.266 1.549 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -12.333 0.920 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 497 -12.959 3.500 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -11.850 4.695 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -10.696 3.723 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 497 -11.258 3.145 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -14.198 3.970 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -13.696 2.391 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -14.757 2.469 -0.405 1.00 0.00 H new ATOM 1192 N TYR A 498 -12.539 -1.399 0.803 1.00 0.00 N ATOM 1193 CA TYR A 498 -12.004 -2.740 1.004 1.00 0.00 C ATOM 1194 C TYR A 498 -11.636 -3.385 -0.329 1.00 0.00 C ATOM 1195 O TYR A 498 -12.463 -3.478 -1.237 1.00 0.00 O ATOM 1196 CB TYR A 498 -13.021 -3.613 1.742 1.00 0.00 C ATOM 1197 CG TYR A 498 -13.396 -3.082 3.107 1.00 0.00 C ATOM 1198 CD1 TYR A 498 -12.678 -3.449 4.238 1.00 0.00 C ATOM 1199 CD2 TYR A 498 -14.469 -2.213 3.265 1.00 0.00 C ATOM 1200 CE1 TYR A 498 -13.018 -2.967 5.487 1.00 0.00 C ATOM 1201 CE2 TYR A 498 -14.815 -1.725 4.510 1.00 0.00 C ATOM 1202 CZ TYR A 498 -14.087 -2.105 5.618 1.00 0.00 C ATOM 1203 OH TYR A 498 -14.428 -1.621 6.860 1.00 0.00 O ATOM 0 H TYR A 498 -12.881 -1.219 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 498 -11.101 -2.656 1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 498 -13.922 -3.699 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 498 -12.613 -4.618 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 498 -11.840 -4.123 4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 498 -15.042 -1.914 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 498 -12.450 -3.263 6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 498 -15.651 -1.050 4.615 1.00 0.00 H new ATOM 0 HH TYR A 498 -15.202 -1.026 6.778 1.00 0.00 H new ATOM 1213 N LEU A 499 -10.389 -3.831 -0.438 1.00 0.00 N ATOM 1214 CA LEU A 499 -9.909 -4.469 -1.659 1.00 0.00 C ATOM 1215 C LEU A 499 -9.548 -5.929 -1.405 1.00 0.00 C ATOM 1216 O LEU A 499 -9.101 -6.288 -0.315 1.00 0.00 O ATOM 1217 CB LEU A 499 -8.693 -3.719 -2.206 1.00 0.00 C ATOM 1218 CG LEU A 499 -8.300 -4.038 -3.649 1.00 0.00 C ATOM 1219 CD1 LEU A 499 -9.387 -3.582 -4.611 1.00 0.00 C ATOM 1220 CD2 LEU A 499 -6.970 -3.387 -3.996 1.00 0.00 C ATOM 0 H LEU A 499 -9.692 -3.763 0.304 1.00 0.00 H new ATOM 0 HA LEU A 499 -10.711 -4.435 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -8.888 -2.649 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -7.840 -3.933 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 499 -8.188 -5.118 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -9.090 -3.817 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -10.319 -4.096 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -9.531 -2.506 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -6.706 -3.625 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -7.054 -2.306 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -6.196 -3.763 -3.327 1.00 0.00 H new ATOM 1232 N CYS A 500 -9.744 -6.766 -2.418 1.00 0.00 N ATOM 1233 CA CYS A 500 -9.437 -8.188 -2.305 1.00 0.00 C ATOM 1234 C CYS A 500 -8.055 -8.493 -2.874 1.00 0.00 C ATOM 1235 O CYS A 500 -7.717 -8.063 -3.976 1.00 0.00 O ATOM 1236 CB CYS A 500 -10.496 -9.018 -3.032 1.00 0.00 C ATOM 1237 SG CYS A 500 -10.662 -8.628 -4.789 1.00 0.00 S ATOM 0 H CYS A 500 -10.114 -6.485 -3.326 1.00 0.00 H new ATOM 0 HA CYS A 500 -9.441 -8.453 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 500 -10.249 -10.074 -2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 500 -11.459 -8.866 -2.545 1.00 0.00 H new ATOM 0 HG CYS A 500 -9.520 -8.215 -5.252 1.00 0.00 H new ATOM 1243 N VAL A 501 -7.259 -9.238 -2.112 1.00 0.00 N ATOM 1244 CA VAL A 501 -5.913 -9.600 -2.540 1.00 0.00 C ATOM 1245 C VAL A 501 -5.599 -11.051 -2.192 1.00 0.00 C ATOM 1246 O VAL A 501 -5.640 -11.444 -1.027 1.00 0.00 O ATOM 1247 CB VAL A 501 -4.854 -8.688 -1.894 1.00 0.00 C ATOM 1248 CG1 VAL A 501 -5.141 -7.228 -2.212 1.00 0.00 C ATOM 1249 CG2 VAL A 501 -4.803 -8.914 -0.390 1.00 0.00 C ATOM 0 H VAL A 501 -7.523 -9.602 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 501 -5.879 -9.472 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 501 -3.879 -8.941 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 501 -4.382 -6.598 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 501 -5.123 -7.081 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 501 -6.124 -6.958 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 501 -4.049 -8.261 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 501 -5.777 -8.689 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 501 -4.546 -9.954 -0.187 1.00 0.00 H new ATOM 1259 N SER A 502 -5.284 -11.843 -3.212 1.00 0.00 N ATOM 1260 CA SER A 502 -4.965 -13.252 -3.015 1.00 0.00 C ATOM 1261 C SER A 502 -3.457 -13.480 -3.065 1.00 0.00 C ATOM 1262 O SER A 502 -2.756 -12.891 -3.887 1.00 0.00 O ATOM 1263 CB SER A 502 -5.657 -14.107 -4.079 1.00 0.00 C ATOM 1264 OG SER A 502 -5.482 -15.489 -3.817 1.00 0.00 O ATOM 0 H SER A 502 -5.243 -11.533 -4.183 1.00 0.00 H new ATOM 0 HA SER A 502 -5.327 -13.547 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 502 -6.721 -13.871 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 502 -5.253 -13.866 -5.062 1.00 0.00 H new ATOM 0 HG SER A 502 -5.935 -16.013 -4.510 1.00 0.00 H new ATOM 1270 N SER A 503 -2.965 -14.340 -2.179 1.00 0.00 N ATOM 1271 CA SER A 503 -1.540 -14.645 -2.119 1.00 0.00 C ATOM 1272 C SER A 503 -1.306 -16.152 -2.128 1.00 0.00 C ATOM 1273 O SER A 503 -2.214 -16.949 -1.893 1.00 0.00 O ATOM 1274 CB SER A 503 -0.919 -14.028 -0.864 1.00 0.00 C ATOM 1275 OG SER A 503 -0.971 -14.931 0.227 1.00 0.00 O ATOM 0 H SER A 503 -3.532 -14.838 -1.493 1.00 0.00 H new ATOM 0 HA SER A 503 -1.064 -14.216 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 503 0.117 -13.754 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 503 -1.448 -13.110 -0.606 1.00 0.00 H new ATOM 0 HG SER A 503 -0.567 -14.514 1.016 1.00 0.00 H new ATOM 1281 N PRO A 504 -0.057 -16.554 -2.406 1.00 0.00 N ATOM 1282 CA PRO A 504 0.328 -17.968 -2.453 1.00 0.00 C ATOM 1283 C PRO A 504 -0.146 -18.738 -1.226 1.00 0.00 C ATOM 1284 O PRO A 504 -0.302 -19.959 -1.268 1.00 0.00 O ATOM 1285 CB PRO A 504 1.857 -17.918 -2.495 1.00 0.00 C ATOM 1286 CG PRO A 504 2.177 -16.605 -3.124 1.00 0.00 C ATOM 1287 CD PRO A 504 1.076 -15.659 -2.697 1.00 0.00 C ATOM 0 HA PRO A 504 -0.119 -18.484 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 504 2.283 -17.992 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 504 2.264 -18.745 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 504 3.152 -16.243 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 504 2.217 -16.692 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 504 1.364 -15.079 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 504 0.832 -14.946 -3.485 1.00 0.00 H new ATOM 1295 N THR A 505 -0.374 -18.018 -0.132 1.00 0.00 N ATOM 1296 CA THR A 505 -0.830 -18.634 1.108 1.00 0.00 C ATOM 1297 C THR A 505 -2.249 -18.195 1.451 1.00 0.00 C ATOM 1298 O THR A 505 -3.187 -18.991 1.393 1.00 0.00 O ATOM 1299 CB THR A 505 0.102 -18.287 2.284 1.00 0.00 C ATOM 1300 OG1 THR A 505 0.382 -16.882 2.288 1.00 0.00 O ATOM 1301 CG2 THR A 505 1.403 -19.069 2.192 1.00 0.00 C ATOM 0 H THR A 505 -0.250 -17.007 -0.080 1.00 0.00 H new ATOM 0 HA THR A 505 -0.815 -19.712 0.949 1.00 0.00 H new ATOM 0 HB THR A 505 -0.402 -18.559 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 505 0.535 -16.582 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 505 2.045 -18.807 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 505 1.188 -20.137 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 505 1.910 -18.824 1.259 1.00 0.00 H new ATOM 1309 N ILE A 506 -2.399 -16.923 1.808 1.00 0.00 N ATOM 1310 CA ILE A 506 -3.705 -16.378 2.159 1.00 0.00 C ATOM 1311 C ILE A 506 -4.561 -16.160 0.916 1.00 0.00 C ATOM 1312 O ILE A 506 -4.049 -15.837 -0.156 1.00 0.00 O ATOM 1313 CB ILE A 506 -3.572 -15.045 2.918 1.00 0.00 C ATOM 1314 CG1 ILE A 506 -2.899 -15.270 4.274 1.00 0.00 C ATOM 1315 CG2 ILE A 506 -4.939 -14.401 3.099 1.00 0.00 C ATOM 1316 CD1 ILE A 506 -3.691 -16.167 5.200 1.00 0.00 C ATOM 0 H ILE A 506 -1.633 -16.252 1.862 1.00 0.00 H new ATOM 0 HA ILE A 506 -4.189 -17.109 2.807 1.00 0.00 H new ATOM 0 HB ILE A 506 -2.948 -14.370 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 506 -1.913 -15.707 4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 506 -2.745 -14.306 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 506 -4.829 -13.459 3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 506 -5.384 -14.211 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 506 -5.584 -15.071 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 506 -3.154 -16.282 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 506 -4.667 -15.722 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 506 -3.822 -17.144 4.735 1.00 0.00 H new ATOM 1328 N LYS A 507 -5.869 -16.336 1.067 1.00 0.00 N ATOM 1329 CA LYS A 507 -6.799 -16.156 -0.041 1.00 0.00 C ATOM 1330 C LYS A 507 -7.265 -14.706 -0.130 1.00 0.00 C ATOM 1331 O LYS A 507 -7.024 -13.910 0.778 1.00 0.00 O ATOM 1332 CB LYS A 507 -8.007 -17.081 0.124 1.00 0.00 C ATOM 1333 CG LYS A 507 -7.825 -18.441 -0.528 1.00 0.00 C ATOM 1334 CD LYS A 507 -7.844 -18.339 -2.044 1.00 0.00 C ATOM 1335 CE LYS A 507 -7.241 -19.576 -2.693 1.00 0.00 C ATOM 1336 NZ LYS A 507 -5.810 -19.755 -2.322 1.00 0.00 N ATOM 0 H LYS A 507 -6.309 -16.604 1.947 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.278 -16.410 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -8.205 -17.220 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -8.886 -16.597 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -6.880 -18.878 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -8.617 -19.113 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -8.870 -18.210 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -7.289 -17.455 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -7.807 -20.457 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -7.328 -19.497 -3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -5.334 -20.334 -3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -5.348 -18.825 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -5.747 -20.231 -1.400 1.00 0.00 H new ATOM 1350 N ASP A 508 -7.933 -14.370 -1.228 1.00 0.00 N ATOM 1351 CA ASP A 508 -8.435 -13.017 -1.434 1.00 0.00 C ATOM 1352 C ASP A 508 -8.869 -12.391 -0.112 1.00 0.00 C ATOM 1353 O ASP A 508 -9.889 -12.772 0.463 1.00 0.00 O ATOM 1354 CB ASP A 508 -9.607 -13.028 -2.416 1.00 0.00 C ATOM 1355 CG ASP A 508 -9.165 -13.291 -3.842 1.00 0.00 C ATOM 1356 OD1 ASP A 508 -8.796 -12.322 -4.537 1.00 0.00 O ATOM 1357 OD2 ASP A 508 -9.189 -14.467 -4.264 1.00 0.00 O ATOM 0 H ASP A 508 -8.139 -15.017 -1.989 1.00 0.00 H new ATOM 0 HA ASP A 508 -7.627 -12.417 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 508 -10.323 -13.792 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 508 -10.125 -12.070 -2.370 1.00 0.00 H new ATOM 1362 N LYS A 509 -8.087 -11.429 0.366 1.00 0.00 N ATOM 1363 CA LYS A 509 -8.389 -10.749 1.621 1.00 0.00 C ATOM 1364 C LYS A 509 -8.892 -9.332 1.364 1.00 0.00 C ATOM 1365 O LYS A 509 -8.307 -8.571 0.593 1.00 0.00 O ATOM 1366 CB LYS A 509 -7.147 -10.708 2.514 1.00 0.00 C ATOM 1367 CG LYS A 509 -7.063 -11.866 3.492 1.00 0.00 C ATOM 1368 CD LYS A 509 -7.716 -11.523 4.821 1.00 0.00 C ATOM 1369 CE LYS A 509 -6.901 -10.497 5.593 1.00 0.00 C ATOM 1370 NZ LYS A 509 -7.449 -10.269 6.959 1.00 0.00 N ATOM 0 H LYS A 509 -7.239 -11.102 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 509 -9.175 -11.308 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 509 -6.257 -10.710 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 509 -7.141 -9.771 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 509 -7.549 -12.742 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 509 -6.018 -12.129 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 509 -8.719 -11.135 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 509 -7.824 -12.428 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 509 -5.868 -10.836 5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 509 -6.889 -9.555 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 509 -6.866 -9.564 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 509 -8.427 -9.922 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 509 -7.437 -11.162 7.491 1.00 0.00 H new ATOM 1384 N PRO A 510 -10.000 -8.968 2.025 1.00 0.00 N ATOM 1385 CA PRO A 510 -10.604 -7.639 1.886 1.00 0.00 C ATOM 1386 C PRO A 510 -9.871 -6.581 2.703 1.00 0.00 C ATOM 1387 O PRO A 510 -10.443 -5.973 3.607 1.00 0.00 O ATOM 1388 CB PRO A 510 -12.025 -7.838 2.421 1.00 0.00 C ATOM 1389 CG PRO A 510 -11.911 -8.963 3.391 1.00 0.00 C ATOM 1390 CD PRO A 510 -10.749 -9.824 2.960 1.00 0.00 C ATOM 0 HA PRO A 510 -10.567 -7.280 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 510 -12.396 -6.934 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 510 -12.721 -8.078 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 510 -11.752 -8.583 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 510 -12.832 -9.546 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 510 -10.134 -10.120 3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 510 -11.089 -10.741 2.478 1.00 0.00 H new ATOM 1398 N VAL A 511 -8.600 -6.365 2.378 1.00 0.00 N ATOM 1399 CA VAL A 511 -7.788 -5.378 3.080 1.00 0.00 C ATOM 1400 C VAL A 511 -8.363 -3.976 2.916 1.00 0.00 C ATOM 1401 O VAL A 511 -8.844 -3.614 1.842 1.00 0.00 O ATOM 1402 CB VAL A 511 -6.333 -5.387 2.576 1.00 0.00 C ATOM 1403 CG1 VAL A 511 -5.675 -6.727 2.866 1.00 0.00 C ATOM 1404 CG2 VAL A 511 -6.283 -5.070 1.089 1.00 0.00 C ATOM 0 H VAL A 511 -8.110 -6.860 1.633 1.00 0.00 H new ATOM 0 HA VAL A 511 -7.800 -5.651 4.135 1.00 0.00 H new ATOM 0 HB VAL A 511 -5.778 -4.615 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 511 -4.647 -6.714 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 511 -5.677 -6.909 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 511 -6.228 -7.520 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 511 -5.247 -5.081 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 511 -6.853 -5.818 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 511 -6.713 -4.084 0.913 1.00 0.00 H new ATOM 1414 N GLN A 512 -8.309 -3.191 3.987 1.00 0.00 N ATOM 1415 CA GLN A 512 -8.825 -1.827 3.960 1.00 0.00 C ATOM 1416 C GLN A 512 -7.851 -0.890 3.254 1.00 0.00 C ATOM 1417 O GLN A 512 -6.711 -0.722 3.688 1.00 0.00 O ATOM 1418 CB GLN A 512 -9.088 -1.331 5.384 1.00 0.00 C ATOM 1419 CG GLN A 512 -10.169 -0.265 5.467 1.00 0.00 C ATOM 1420 CD GLN A 512 -10.190 0.441 6.808 1.00 0.00 C ATOM 1421 OE1 GLN A 512 -10.308 -0.195 7.856 1.00 0.00 O ATOM 1422 NE2 GLN A 512 -10.075 1.763 6.783 1.00 0.00 N ATOM 0 H GLN A 512 -7.914 -3.475 4.883 1.00 0.00 H new ATOM 0 HA GLN A 512 -9.763 -1.831 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 512 -9.376 -2.178 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 512 -8.162 -0.931 5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 512 -10.012 0.469 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 512 -11.141 -0.724 5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 512 -9.979 2.250 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 512 -10.082 2.292 7.655 1.00 0.00 H new ATOM 1431 N ILE A 513 -8.308 -0.282 2.164 1.00 0.00 N ATOM 1432 CA ILE A 513 -7.477 0.638 1.398 1.00 0.00 C ATOM 1433 C ILE A 513 -7.889 2.086 1.645 1.00 0.00 C ATOM 1434 O ILE A 513 -8.936 2.532 1.176 1.00 0.00 O ATOM 1435 CB ILE A 513 -7.554 0.344 -0.111 1.00 0.00 C ATOM 1436 CG1 ILE A 513 -7.152 -1.106 -0.392 1.00 0.00 C ATOM 1437 CG2 ILE A 513 -6.664 1.305 -0.885 1.00 0.00 C ATOM 1438 CD1 ILE A 513 -5.682 -1.380 -0.164 1.00 0.00 C ATOM 0 H ILE A 513 -9.249 -0.410 1.792 1.00 0.00 H new ATOM 0 HA ILE A 513 -6.451 0.492 1.735 1.00 0.00 H new ATOM 0 HB ILE A 513 -8.583 0.487 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 513 -7.740 -1.767 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 513 -7.403 -1.351 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 513 -6.730 1.084 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 513 -6.992 2.329 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 513 -5.632 1.192 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 513 -5.469 -2.426 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 513 -5.087 -0.744 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 513 -5.429 -1.167 0.875 1.00 0.00 H new ATOM 1450 N ARG A 514 -7.057 2.815 2.382 1.00 0.00 N ATOM 1451 CA ARG A 514 -7.335 4.212 2.690 1.00 0.00 C ATOM 1452 C ARG A 514 -6.225 5.116 2.162 1.00 0.00 C ATOM 1453 O ARG A 514 -5.205 5.335 2.816 1.00 0.00 O ATOM 1454 CB ARG A 514 -7.488 4.403 4.200 1.00 0.00 C ATOM 1455 CG ARG A 514 -7.482 5.860 4.634 1.00 0.00 C ATOM 1456 CD ARG A 514 -8.037 6.025 6.040 1.00 0.00 C ATOM 1457 NE ARG A 514 -7.146 5.460 7.050 1.00 0.00 N ATOM 1458 CZ ARG A 514 -7.530 5.166 8.287 1.00 0.00 C ATOM 1459 NH1 ARG A 514 -8.782 5.383 8.665 1.00 0.00 N ATOM 1460 NH2 ARG A 514 -6.660 4.654 9.149 1.00 0.00 N ATOM 0 H ARG A 514 -6.185 2.461 2.776 1.00 0.00 H new ATOM 0 HA ARG A 514 -8.269 4.487 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -8.420 3.940 4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -6.679 3.878 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -6.464 6.248 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -8.075 6.451 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 514 -8.193 7.084 6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 514 -9.011 5.541 6.104 1.00 0.00 H new ATOM 0 HE ARG A 514 -6.176 5.281 6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 514 -9.453 5.777 8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 514 -9.074 5.156 9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 514 -5.696 4.486 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 514 -6.956 4.428 10.099 1.00 0.00 H new ATOM 1474 N PRO A 515 -6.426 5.654 0.950 1.00 0.00 N ATOM 1475 CA PRO A 515 -5.453 6.543 0.307 1.00 0.00 C ATOM 1476 C PRO A 515 -4.903 7.591 1.267 1.00 0.00 C ATOM 1477 O PRO A 515 -5.461 8.680 1.398 1.00 0.00 O ATOM 1478 CB PRO A 515 -6.265 7.210 -0.806 1.00 0.00 C ATOM 1479 CG PRO A 515 -7.327 6.222 -1.146 1.00 0.00 C ATOM 1480 CD PRO A 515 -7.618 5.436 0.114 1.00 0.00 C ATOM 0 HA PRO A 515 -4.578 6.000 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 515 -6.695 8.154 -0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 515 -5.641 7.434 -1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 515 -8.225 6.728 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 515 -6.996 5.560 -1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 515 -8.522 5.792 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 515 -7.767 4.378 -0.101 1.00 0.00 H new ATOM 1488 N TRP A 516 -3.805 7.256 1.936 1.00 0.00 N ATOM 1489 CA TRP A 516 -3.179 8.170 2.884 1.00 0.00 C ATOM 1490 C TRP A 516 -2.996 9.553 2.268 1.00 0.00 C ATOM 1491 O TRP A 516 -2.159 9.743 1.388 1.00 0.00 O ATOM 1492 CB TRP A 516 -1.828 7.618 3.340 1.00 0.00 C ATOM 1493 CG TRP A 516 -1.256 8.345 4.520 1.00 0.00 C ATOM 1494 CD1 TRP A 516 -0.330 9.348 4.494 1.00 0.00 C ATOM 1495 CD2 TRP A 516 -1.572 8.123 5.898 1.00 0.00 C ATOM 1496 NE1 TRP A 516 -0.051 9.763 5.774 1.00 0.00 N ATOM 1497 CE2 TRP A 516 -0.801 9.028 6.653 1.00 0.00 C ATOM 1498 CE3 TRP A 516 -2.433 7.250 6.568 1.00 0.00 C ATOM 1499 CZ2 TRP A 516 -0.866 9.082 8.043 1.00 0.00 C ATOM 1500 CZ3 TRP A 516 -2.496 7.305 7.948 1.00 0.00 C ATOM 1501 CH2 TRP A 516 -1.717 8.216 8.673 1.00 0.00 C ATOM 0 H TRP A 516 -3.330 6.358 1.839 1.00 0.00 H new ATOM 0 HA TRP A 516 -3.836 8.263 3.749 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -1.941 6.564 3.592 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -1.122 7.674 2.511 1.00 0.00 H new ATOM 0 HD1 TRP A 516 0.117 9.755 3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 516 0.608 10.499 6.028 1.00 0.00 H new ATOM 0 HE3 TRP A 516 -3.038 6.545 6.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 -0.266 9.783 8.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 -3.157 6.634 8.476 1.00 0.00 H new ATOM 0 HH2 TRP A 516 -1.790 8.235 9.750 1.00 0.00 H new