USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1029 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 518 CYS SG : rot 30:sc= -3.17! USER MOD Set 1.2: A 520 LYS NZ :NH3+ 168:sc= 0.0364 (180deg=0) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.44) USER MOD Single : A 439 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 440 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.47) USER MOD Single : A 441 HIS : no HD1:sc= -0.0547 K(o=-0.055,f=-0.63) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 443 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.0032) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 SER OG : rot 90:sc= 1.31 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 120:sc= -5.34! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ -114:sc= -0.311 (180deg=-1.23) USER MOD Single : A 470 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 474 THR OG1 : rot 53:sc= -1.8! USER MOD Single : A 479 SER OG : rot 171:sc= 0.00168 USER MOD Single : A 483 TYR OH : rot -168:sc= 1.27 USER MOD Single : A 491 THR OG1 : rot 18:sc= 1.28 USER MOD Single : A 493 CYS SG : rot -170:sc= -0.148 USER MOD Single : A 494 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-5.4) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 504 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 508 ASN : amide:sc= -1.35! X(o=-1.3!,f=-1.2) USER MOD Single : A 510 TYR OH : rot 48:sc= -1.55! USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 ASN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 515 LYS NZ :NH3+ -169:sc= 0.557 (180deg=0.316) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS :FLIP no HD1:sc= -8.41! C(o=-9.1!,f=-8.4!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.6) USER MOD Single : A 530 GLN : amide:sc= -2.51! C(o=-2.5!,f=-4.7!) USER MOD Single : A 532 TYR OH : rot 46:sc= -1.42! USER MOD Single : A 534 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.029) USER MOD Single : A 535 LYS NZ :NH3+ -119:sc= -0.85 (180deg=-2.38!) USER MOD Single : A 541 GLN :FLIP amide:sc= -0.968 F(o=-1.9!,f=-0.97) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.38) USER MOD Single : A 546 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 168:sc= -0.517 (180deg=-0.713) USER MOD Single : A 554 THR OG1 : rot 36:sc= 1.13 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot -64:sc= 0.0552 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 144.246 9.621 9.099 1.00 0.00 N ATOM 2 CA MET A 437 143.183 10.450 9.726 1.00 0.00 C ATOM 3 C MET A 437 142.024 10.685 8.763 1.00 0.00 C ATOM 4 O MET A 437 142.230 11.032 7.601 1.00 0.00 O ATOM 5 CB MET A 437 143.794 11.787 10.150 1.00 0.00 C ATOM 6 CG MET A 437 144.392 11.771 11.548 1.00 0.00 C ATOM 7 SD MET A 437 145.617 10.466 11.766 1.00 0.00 S ATOM 8 CE MET A 437 145.686 10.363 13.552 1.00 0.00 C ATOM 0 HA MET A 437 142.786 9.924 10.594 1.00 0.00 H new ATOM 0 HB2 MET A 437 144.570 12.064 9.436 1.00 0.00 H new ATOM 0 HB3 MET A 437 143.026 12.559 10.102 1.00 0.00 H new ATOM 0 HG2 MET A 437 144.855 12.736 11.752 1.00 0.00 H new ATOM 0 HG3 MET A 437 143.594 11.640 12.279 1.00 0.00 H new ATOM 0 HE1 MET A 437 146.403 9.596 13.845 1.00 0.00 H new ATOM 0 HE2 MET A 437 145.996 11.325 13.960 1.00 0.00 H new ATOM 0 HE3 MET A 437 144.701 10.105 13.940 1.00 0.00 H new ATOM 20 N HIS A 438 140.803 10.497 9.257 1.00 0.00 N ATOM 21 CA HIS A 438 139.610 10.694 8.441 1.00 0.00 C ATOM 22 C HIS A 438 139.565 9.696 7.288 1.00 0.00 C ATOM 23 O HIS A 438 139.272 10.061 6.149 1.00 0.00 O ATOM 24 CB HIS A 438 139.571 12.123 7.899 1.00 0.00 C ATOM 25 CG HIS A 438 140.175 13.129 8.828 1.00 0.00 C ATOM 26 ND1 HIS A 438 141.121 14.051 8.431 1.00 0.00 N ATOM 27 CD2 HIS A 438 139.962 13.356 10.146 1.00 0.00 C ATOM 28 CE1 HIS A 438 141.465 14.799 9.464 1.00 0.00 C ATOM 29 NE2 HIS A 438 140.775 14.399 10.516 1.00 0.00 N ATOM 0 H HIS A 438 140.615 10.209 10.217 1.00 0.00 H new ATOM 0 HA HIS A 438 138.737 10.527 9.072 1.00 0.00 H new ATOM 0 HB2 HIS A 438 140.099 12.157 6.946 1.00 0.00 H new ATOM 0 HB3 HIS A 438 138.536 12.400 7.699 1.00 0.00 H new ATOM 0 HD2 HIS A 438 139.280 12.817 10.787 1.00 0.00 H new ATOM 0 HE1 HIS A 438 142.188 15.601 9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 438 140.836 14.800 11.452 1.00 0.00 H new ATOM 38 N HIS A 439 139.857 8.436 7.591 1.00 0.00 N ATOM 39 CA HIS A 439 139.851 7.385 6.581 1.00 0.00 C ATOM 40 C HIS A 439 138.430 7.066 6.132 1.00 0.00 C ATOM 41 O HIS A 439 138.106 7.164 4.948 1.00 0.00 O ATOM 42 CB HIS A 439 140.520 6.121 7.125 1.00 0.00 C ATOM 43 CG HIS A 439 141.021 5.203 6.054 1.00 0.00 C ATOM 44 ND1 HIS A 439 140.190 4.406 5.295 1.00 0.00 N ATOM 45 CD2 HIS A 439 142.279 4.958 5.615 1.00 0.00 C ATOM 46 CE1 HIS A 439 140.914 3.711 4.435 1.00 0.00 C ATOM 47 NE2 HIS A 439 142.184 4.029 4.609 1.00 0.00 N ATOM 0 H HIS A 439 140.101 8.118 8.529 1.00 0.00 H new ATOM 0 HA HIS A 439 140.413 7.745 5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 439 141.354 6.408 7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 439 139.808 5.583 7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 439 143.187 5.409 5.987 1.00 0.00 H new ATOM 0 HE1 HIS A 439 140.532 3.004 3.713 1.00 0.00 H new ATOM 0 HE2 HIS A 439 142.968 3.646 4.081 1.00 0.00 H new ATOM 56 N HIS A 440 137.587 6.682 7.082 1.00 0.00 N ATOM 57 CA HIS A 440 136.200 6.346 6.782 1.00 0.00 C ATOM 58 C HIS A 440 136.120 5.070 5.951 1.00 0.00 C ATOM 59 O HIS A 440 136.148 5.113 4.721 1.00 0.00 O ATOM 60 CB HIS A 440 135.525 7.497 6.035 1.00 0.00 C ATOM 61 CG HIS A 440 134.068 7.642 6.350 1.00 0.00 C ATOM 62 ND1 HIS A 440 133.370 6.737 7.122 1.00 0.00 N ATOM 63 CD2 HIS A 440 133.174 8.595 5.990 1.00 0.00 C ATOM 64 CE1 HIS A 440 132.112 7.125 7.222 1.00 0.00 C ATOM 65 NE2 HIS A 440 131.967 8.249 6.545 1.00 0.00 N ATOM 0 H HIS A 440 137.839 6.595 8.067 1.00 0.00 H new ATOM 0 HA HIS A 440 135.679 6.179 7.725 1.00 0.00 H new ATOM 0 HB2 HIS A 440 136.036 8.428 6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 440 135.643 7.342 4.963 1.00 0.00 H new ATOM 0 HD2 HIS A 440 133.374 9.464 5.381 1.00 0.00 H new ATOM 0 HE1 HIS A 440 131.334 6.610 7.765 1.00 0.00 H new ATOM 0 HE2 HIS A 440 131.099 8.775 6.450 1.00 0.00 H new ATOM 74 N HIS A 441 136.023 3.935 6.633 1.00 0.00 N ATOM 75 CA HIS A 441 135.940 2.644 5.962 1.00 0.00 C ATOM 76 C HIS A 441 134.558 2.438 5.347 1.00 0.00 C ATOM 77 O HIS A 441 133.737 1.689 5.878 1.00 0.00 O ATOM 78 CB HIS A 441 136.246 1.515 6.949 1.00 0.00 C ATOM 79 CG HIS A 441 137.326 1.856 7.929 1.00 0.00 C ATOM 80 ND1 HIS A 441 137.071 2.358 9.188 1.00 0.00 N ATOM 81 CD2 HIS A 441 138.674 1.764 7.829 1.00 0.00 C ATOM 82 CE1 HIS A 441 138.214 2.562 9.819 1.00 0.00 C ATOM 83 NE2 HIS A 441 139.200 2.209 9.016 1.00 0.00 N ATOM 0 H HIS A 441 136.000 3.883 7.651 1.00 0.00 H new ATOM 0 HA HIS A 441 136.679 2.629 5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 441 135.337 1.264 7.495 1.00 0.00 H new ATOM 0 HB3 HIS A 441 136.539 0.625 6.392 1.00 0.00 H new ATOM 0 HD2 HIS A 441 139.231 1.407 6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 441 138.323 2.951 10.821 1.00 0.00 H new ATOM 0 HE2 HIS A 441 140.194 2.259 9.241 1.00 0.00 H new ATOM 92 N HIS A 442 134.307 3.109 4.227 1.00 0.00 N ATOM 93 CA HIS A 442 133.024 2.998 3.544 1.00 0.00 C ATOM 94 C HIS A 442 133.215 2.658 2.070 1.00 0.00 C ATOM 95 O HIS A 442 133.069 3.517 1.199 1.00 0.00 O ATOM 96 CB HIS A 442 132.235 4.302 3.680 1.00 0.00 C ATOM 97 CG HIS A 442 130.775 4.093 3.940 1.00 0.00 C ATOM 98 ND1 HIS A 442 130.231 4.072 5.208 1.00 0.00 N ATOM 99 CD2 HIS A 442 129.742 3.896 3.086 1.00 0.00 C ATOM 100 CE1 HIS A 442 128.928 3.870 5.122 1.00 0.00 C ATOM 101 NE2 HIS A 442 128.607 3.761 3.846 1.00 0.00 N ATOM 0 H HIS A 442 134.974 3.734 3.774 1.00 0.00 H new ATOM 0 HA HIS A 442 132.463 2.190 4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 442 132.660 4.891 4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 442 132.353 4.886 2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 442 129.801 3.853 2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 442 128.242 3.805 5.954 1.00 0.00 H new ATOM 0 HE2 HIS A 442 127.667 3.602 3.483 1.00 0.00 H new ATOM 110 N HIS A 443 133.539 1.398 1.795 1.00 0.00 N ATOM 111 CA HIS A 443 133.746 0.944 0.424 1.00 0.00 C ATOM 112 C HIS A 443 132.412 0.683 -0.266 1.00 0.00 C ATOM 113 O HIS A 443 132.167 -0.411 -0.771 1.00 0.00 O ATOM 114 CB HIS A 443 134.599 -0.325 0.405 1.00 0.00 C ATOM 115 CG HIS A 443 135.450 -0.453 -0.820 1.00 0.00 C ATOM 116 ND1 HIS A 443 135.390 -1.538 -1.669 1.00 0.00 N ATOM 117 CD2 HIS A 443 136.385 0.378 -1.340 1.00 0.00 C ATOM 118 CE1 HIS A 443 136.252 -1.370 -2.657 1.00 0.00 C ATOM 119 NE2 HIS A 443 136.866 -0.216 -2.481 1.00 0.00 N ATOM 0 H HIS A 443 133.664 0.674 2.503 1.00 0.00 H new ATOM 0 HA HIS A 443 134.270 1.731 -0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 443 135.240 -0.336 1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 443 133.945 -1.194 0.476 1.00 0.00 H new ATOM 0 HD2 HIS A 443 136.694 1.330 -0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 443 136.424 -2.060 -3.470 1.00 0.00 H new ATOM 0 HE2 HIS A 443 137.583 0.173 -3.094 1.00 0.00 H new ATOM 128 N SER A 444 131.553 1.698 -0.279 1.00 0.00 N ATOM 129 CA SER A 444 130.240 1.582 -0.904 1.00 0.00 C ATOM 130 C SER A 444 130.301 0.699 -2.143 1.00 0.00 C ATOM 131 O SER A 444 131.351 0.563 -2.772 1.00 0.00 O ATOM 132 CB SER A 444 129.706 2.966 -1.274 1.00 0.00 C ATOM 133 OG SER A 444 128.297 3.022 -1.136 1.00 0.00 O ATOM 0 H SER A 444 131.743 2.610 0.136 1.00 0.00 H new ATOM 0 HA SER A 444 129.564 1.119 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 444 130.167 3.720 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 444 129.984 3.204 -2.301 1.00 0.00 H new ATOM 0 HG SER A 444 127.980 3.918 -1.377 1.00 0.00 H new ATOM 139 N ASN A 445 129.169 0.097 -2.490 1.00 0.00 N ATOM 140 CA ASN A 445 129.092 -0.775 -3.654 1.00 0.00 C ATOM 141 C ASN A 445 128.267 -0.131 -4.762 1.00 0.00 C ATOM 142 O ASN A 445 127.711 0.953 -4.587 1.00 0.00 O ATOM 143 CB ASN A 445 128.489 -2.129 -3.271 1.00 0.00 C ATOM 144 CG ASN A 445 128.503 -2.372 -1.773 1.00 0.00 C ATOM 145 OD1 ASN A 445 129.549 -2.654 -1.189 1.00 0.00 O ATOM 146 ND2 ASN A 445 127.338 -2.263 -1.144 1.00 0.00 N ATOM 0 H ASN A 445 128.291 0.198 -1.980 1.00 0.00 H new ATOM 0 HA ASN A 445 130.105 -0.932 -4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 445 127.463 -2.181 -3.634 1.00 0.00 H new ATOM 0 HB3 ASN A 445 129.044 -2.924 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 445 127.286 -2.415 -0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 445 126.495 -2.027 -1.668 1.00 0.00 H new ATOM 153 N ALA A 446 128.192 -0.807 -5.903 1.00 0.00 N ATOM 154 CA ALA A 446 127.438 -0.302 -7.043 1.00 0.00 C ATOM 155 C ALA A 446 125.974 -0.082 -6.677 1.00 0.00 C ATOM 156 O ALA A 446 125.616 -0.032 -5.501 1.00 0.00 O ATOM 157 CB ALA A 446 127.546 -1.250 -8.229 1.00 0.00 C ATOM 0 H ALA A 446 128.645 -1.707 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 446 127.870 0.658 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 446 126.975 -0.851 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 446 128.592 -1.353 -8.519 1.00 0.00 H new ATOM 0 HB3 ALA A 446 127.149 -2.226 -7.952 1.00 0.00 H new ATOM 163 N THR A 447 125.133 0.049 -7.697 1.00 0.00 N ATOM 164 CA THR A 447 123.706 0.264 -7.492 1.00 0.00 C ATOM 165 C THR A 447 122.977 0.375 -8.825 1.00 0.00 C ATOM 166 O THR A 447 123.438 1.059 -9.740 1.00 0.00 O ATOM 167 CB THR A 447 123.441 1.538 -6.666 1.00 0.00 C ATOM 168 OG1 THR A 447 122.070 1.620 -6.259 1.00 0.00 O ATOM 169 CG2 THR A 447 123.779 2.784 -7.469 1.00 0.00 C ATOM 0 H THR A 447 125.416 0.010 -8.676 1.00 0.00 H new ATOM 0 HA THR A 447 123.329 -0.598 -6.942 1.00 0.00 H new ATOM 0 HB THR A 447 124.078 1.481 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 447 121.932 2.437 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 447 123.584 3.670 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 447 124.832 2.761 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 447 123.164 2.815 -8.368 1.00 0.00 H new ATOM 177 N GLY A 448 121.839 -0.302 -8.932 1.00 0.00 N ATOM 178 CA GLY A 448 121.073 -0.262 -10.163 1.00 0.00 C ATOM 179 C GLY A 448 119.654 -0.759 -9.984 1.00 0.00 C ATOM 180 O GLY A 448 118.943 -0.311 -9.084 1.00 0.00 O ATOM 0 H GLY A 448 121.435 -0.875 -8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 448 121.051 0.761 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 448 121.574 -0.869 -10.918 1.00 0.00 H new ATOM 184 N PRO A 449 119.212 -1.691 -10.840 1.00 0.00 N ATOM 185 CA PRO A 449 117.858 -2.249 -10.774 1.00 0.00 C ATOM 186 C PRO A 449 117.514 -2.780 -9.387 1.00 0.00 C ATOM 187 O PRO A 449 117.710 -3.959 -9.094 1.00 0.00 O ATOM 188 CB PRO A 449 117.894 -3.389 -11.794 1.00 0.00 C ATOM 189 CG PRO A 449 118.965 -3.001 -12.752 1.00 0.00 C ATOM 190 CD PRO A 449 119.999 -2.273 -11.940 1.00 0.00 C ATOM 0 HA PRO A 449 117.097 -1.497 -10.983 1.00 0.00 H new ATOM 0 HB2 PRO A 449 118.117 -4.343 -11.315 1.00 0.00 H new ATOM 0 HB3 PRO A 449 116.934 -3.501 -12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 449 119.394 -3.879 -13.235 1.00 0.00 H new ATOM 0 HG3 PRO A 449 118.570 -2.364 -13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 449 120.770 -2.949 -11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 449 120.503 -1.504 -12.525 1.00 0.00 H new ATOM 198 N GLN A 450 117.001 -1.897 -8.539 1.00 0.00 N ATOM 199 CA GLN A 450 116.624 -2.265 -7.181 1.00 0.00 C ATOM 200 C GLN A 450 115.561 -1.314 -6.643 1.00 0.00 C ATOM 201 O GLN A 450 115.703 -0.759 -5.553 1.00 0.00 O ATOM 202 CB GLN A 450 117.851 -2.246 -6.268 1.00 0.00 C ATOM 203 CG GLN A 450 118.019 -3.514 -5.448 1.00 0.00 C ATOM 204 CD GLN A 450 117.882 -3.264 -3.959 1.00 0.00 C ATOM 205 OE1 GLN A 450 118.877 -3.161 -3.241 1.00 0.00 O ATOM 206 NE2 GLN A 450 116.644 -3.168 -3.488 1.00 0.00 N ATOM 0 H GLN A 450 116.836 -0.917 -8.770 1.00 0.00 H new ATOM 0 HA GLN A 450 116.211 -3.274 -7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.743 -2.095 -6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 450 117.778 -1.394 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 450 117.274 -4.246 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 450 118.998 -3.948 -5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 450 115.849 -3.260 -4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 450 116.488 -3.002 -2.494 1.00 0.00 H new ATOM 215 N PHE A 451 114.498 -1.125 -7.420 1.00 0.00 N ATOM 216 CA PHE A 451 113.412 -0.236 -7.026 1.00 0.00 C ATOM 217 C PHE A 451 113.015 -0.466 -5.572 1.00 0.00 C ATOM 218 O PHE A 451 112.371 -1.461 -5.240 1.00 0.00 O ATOM 219 CB PHE A 451 112.202 -0.434 -7.942 1.00 0.00 C ATOM 220 CG PHE A 451 111.510 -1.755 -7.756 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.445 -1.876 -6.878 1.00 0.00 C ATOM 222 CD2 PHE A 451 111.924 -2.873 -8.461 1.00 0.00 C ATOM 223 CE1 PHE A 451 109.805 -3.088 -6.706 1.00 0.00 C ATOM 224 CE2 PHE A 451 111.288 -4.089 -8.293 1.00 0.00 C ATOM 225 CZ PHE A 451 110.227 -4.197 -7.415 1.00 0.00 C ATOM 0 H PHE A 451 114.367 -1.576 -8.325 1.00 0.00 H new ATOM 0 HA PHE A 451 113.765 0.791 -7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.487 0.369 -7.762 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.525 -0.347 -8.979 1.00 0.00 H new ATOM 0 HD1 PHE A 451 110.111 -1.013 -6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 451 112.752 -2.794 -9.149 1.00 0.00 H new ATOM 0 HE1 PHE A 451 108.976 -3.169 -6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 451 111.620 -4.954 -8.848 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.728 -5.146 -7.283 1.00 0.00 H new ATOM 235 N VAL A 452 113.403 0.465 -4.706 1.00 0.00 N ATOM 236 CA VAL A 452 113.088 0.372 -3.285 1.00 0.00 C ATOM 237 C VAL A 452 111.669 -0.141 -3.076 1.00 0.00 C ATOM 238 O VAL A 452 110.711 0.630 -3.118 1.00 0.00 O ATOM 239 CB VAL A 452 113.228 1.741 -2.594 1.00 0.00 C ATOM 240 CG1 VAL A 452 114.693 2.082 -2.372 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.539 2.823 -3.412 1.00 0.00 C ATOM 0 H VAL A 452 113.937 1.294 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 452 113.798 -0.328 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 452 112.742 1.687 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 452 114.770 3.053 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 452 115.152 1.320 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 452 115.208 2.117 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 452 112.648 3.784 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 452 112.995 2.877 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 452 111.480 2.584 -3.513 1.00 0.00 H new ATOM 251 N SER A 453 111.534 -1.447 -2.852 1.00 0.00 N ATOM 252 CA SER A 453 110.220 -2.054 -2.642 1.00 0.00 C ATOM 253 C SER A 453 109.618 -1.711 -1.271 1.00 0.00 C ATOM 254 O SER A 453 108.665 -2.357 -0.842 1.00 0.00 O ATOM 255 CB SER A 453 110.315 -3.573 -2.794 1.00 0.00 C ATOM 256 OG SER A 453 110.543 -4.199 -1.543 1.00 0.00 O ATOM 0 H SER A 453 112.314 -2.103 -2.811 1.00 0.00 H new ATOM 0 HA SER A 453 109.556 -1.640 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.394 -3.956 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.123 -3.823 -3.481 1.00 0.00 H new ATOM 0 HG SER A 453 109.684 -4.411 -1.122 1.00 0.00 H new ATOM 262 N GLY A 454 110.150 -0.682 -0.605 1.00 0.00 N ATOM 263 CA GLY A 454 109.631 -0.263 0.691 1.00 0.00 C ATOM 264 C GLY A 454 108.975 -1.376 1.496 1.00 0.00 C ATOM 265 O GLY A 454 108.040 -1.119 2.248 1.00 0.00 O ATOM 0 H GLY A 454 110.937 -0.128 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.448 0.159 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.904 0.534 0.537 1.00 0.00 H new ATOM 269 N VAL A 455 109.453 -2.607 1.339 1.00 0.00 N ATOM 270 CA VAL A 455 108.892 -3.749 2.058 1.00 0.00 C ATOM 271 C VAL A 455 107.367 -3.670 2.133 1.00 0.00 C ATOM 272 O VAL A 455 106.812 -2.933 2.948 1.00 0.00 O ATOM 273 CB VAL A 455 109.458 -3.849 3.487 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.643 -5.304 3.887 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.771 -3.087 3.603 1.00 0.00 C ATOM 0 H VAL A 455 110.229 -2.841 0.719 1.00 0.00 H new ATOM 0 HA VAL A 455 109.177 -4.639 1.496 1.00 0.00 H new ATOM 0 HB VAL A 455 108.741 -3.394 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.044 -5.355 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.682 -5.816 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.337 -5.785 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 455 111.152 -3.172 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.498 -3.506 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.604 -2.037 3.364 1.00 0.00 H new ATOM 285 N ILE A 456 106.692 -4.441 1.284 1.00 0.00 N ATOM 286 CA ILE A 456 105.231 -4.460 1.259 1.00 0.00 C ATOM 287 C ILE A 456 104.677 -5.359 2.362 1.00 0.00 C ATOM 288 O ILE A 456 105.032 -6.534 2.452 1.00 0.00 O ATOM 289 CB ILE A 456 104.697 -4.943 -0.103 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.174 -4.016 -1.224 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.178 -5.015 -0.084 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.738 -2.578 -1.044 1.00 0.00 C ATOM 0 H ILE A 456 107.133 -5.061 0.604 1.00 0.00 H new ATOM 0 HA ILE A 456 104.897 -3.436 1.426 1.00 0.00 H new ATOM 0 HB ILE A 456 105.088 -5.943 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.262 -4.054 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.795 -4.386 -2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.818 -5.358 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.856 -5.712 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.769 -4.026 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.111 -1.978 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.649 -2.528 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.139 -2.191 -0.107 1.00 0.00 H new ATOM 304 N VAL A 457 103.789 -4.807 3.185 1.00 0.00 N ATOM 305 CA VAL A 457 103.169 -5.567 4.267 1.00 0.00 C ATOM 306 C VAL A 457 101.673 -5.742 4.019 1.00 0.00 C ATOM 307 O VAL A 457 100.902 -4.793 4.160 1.00 0.00 O ATOM 308 CB VAL A 457 103.389 -4.886 5.631 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.619 -5.613 6.725 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.873 -4.829 5.964 1.00 0.00 C ATOM 0 H VAL A 457 103.483 -3.836 3.123 1.00 0.00 H new ATOM 0 HA VAL A 457 103.646 -6.547 4.288 1.00 0.00 H new ATOM 0 HB VAL A 457 103.011 -3.865 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.788 -5.116 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.554 -5.599 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.963 -6.645 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 457 105.011 -4.345 6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.276 -5.841 6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.397 -4.260 5.196 1.00 0.00 H new ATOM 320 N LYS A 458 101.264 -6.951 3.645 1.00 0.00 N ATOM 321 CA LYS A 458 99.857 -7.234 3.375 1.00 0.00 C ATOM 322 C LYS A 458 99.071 -7.478 4.661 1.00 0.00 C ATOM 323 O LYS A 458 99.348 -8.422 5.402 1.00 0.00 O ATOM 324 CB LYS A 458 99.721 -8.448 2.454 1.00 0.00 C ATOM 325 CG LYS A 458 98.301 -8.985 2.372 1.00 0.00 C ATOM 326 CD LYS A 458 98.262 -10.377 1.765 1.00 0.00 C ATOM 327 CE LYS A 458 97.457 -10.400 0.476 1.00 0.00 C ATOM 328 NZ LYS A 458 98.098 -11.246 -0.566 1.00 0.00 N ATOM 0 H LYS A 458 101.886 -7.750 3.522 1.00 0.00 H new ATOM 0 HA LYS A 458 99.441 -6.355 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.057 -8.176 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.381 -9.240 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.863 -9.011 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.690 -8.309 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 458 99.278 -10.717 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 458 97.826 -11.075 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.454 -10.775 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 458 97.346 -9.383 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 97.517 -11.234 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 99.045 -10.874 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 98.181 -12.222 -0.218 1.00 0.00 H new ATOM 342 N ILE A 459 98.068 -6.637 4.900 1.00 0.00 N ATOM 343 CA ILE A 459 97.212 -6.774 6.074 1.00 0.00 C ATOM 344 C ILE A 459 95.795 -7.151 5.665 1.00 0.00 C ATOM 345 O ILE A 459 95.167 -6.464 4.859 1.00 0.00 O ATOM 346 CB ILE A 459 97.155 -5.485 6.915 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.564 -5.038 7.306 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.298 -5.709 8.156 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.590 -4.093 8.487 1.00 0.00 C ATOM 0 H ILE A 459 97.828 -5.852 4.294 1.00 0.00 H new ATOM 0 HA ILE A 459 97.653 -7.563 6.683 1.00 0.00 H new ATOM 0 HB ILE A 459 96.702 -4.695 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.164 -5.917 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 459 99.033 -4.551 6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.263 -4.792 8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.287 -5.985 7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.730 -6.510 8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.621 -3.817 8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 459 98.018 -3.197 8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.150 -4.584 9.355 1.00 0.00 H new ATOM 361 N ILE A 460 95.292 -8.236 6.231 1.00 0.00 N ATOM 362 CA ILE A 460 93.942 -8.689 5.931 1.00 0.00 C ATOM 363 C ILE A 460 93.179 -9.006 7.212 1.00 0.00 C ATOM 364 O ILE A 460 93.709 -9.645 8.122 1.00 0.00 O ATOM 365 CB ILE A 460 93.954 -9.920 5.003 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.569 -10.139 4.386 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.415 -11.155 5.758 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.674 -11.044 5.201 1.00 0.00 C ATOM 0 H ILE A 460 95.796 -8.819 6.899 1.00 0.00 H new ATOM 0 HA ILE A 460 93.434 -7.877 5.411 1.00 0.00 H new ATOM 0 HB ILE A 460 94.661 -9.737 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 460 92.079 -9.173 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.689 -10.564 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.417 -12.013 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.422 -10.992 6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.737 -11.347 6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.712 -11.151 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 460 92.142 -12.024 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.522 -10.611 6.190 1.00 0.00 H new ATOM 380 N SER A 461 91.934 -8.550 7.285 1.00 0.00 N ATOM 381 CA SER A 461 91.109 -8.787 8.461 1.00 0.00 C ATOM 382 C SER A 461 89.802 -9.465 8.083 1.00 0.00 C ATOM 383 O SER A 461 89.648 -9.975 6.974 1.00 0.00 O ATOM 384 CB SER A 461 90.813 -7.476 9.190 1.00 0.00 C ATOM 385 OG SER A 461 89.801 -6.741 8.525 1.00 0.00 O ATOM 0 H SER A 461 91.476 -8.016 6.546 1.00 0.00 H new ATOM 0 HA SER A 461 91.667 -9.446 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.501 -7.687 10.213 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.722 -6.877 9.251 1.00 0.00 H new ATOM 0 HG SER A 461 89.041 -6.611 9.129 1.00 0.00 H new ATOM 391 N THR A 462 88.865 -9.470 9.019 1.00 0.00 N ATOM 392 CA THR A 462 87.566 -10.091 8.797 1.00 0.00 C ATOM 393 C THR A 462 86.426 -9.100 9.009 1.00 0.00 C ATOM 394 O THR A 462 85.286 -9.361 8.623 1.00 0.00 O ATOM 395 CB THR A 462 87.361 -11.300 9.727 1.00 0.00 C ATOM 396 OG1 THR A 462 87.957 -11.077 11.012 1.00 0.00 O ATOM 397 CG2 THR A 462 87.973 -12.554 9.124 1.00 0.00 C ATOM 0 H THR A 462 88.979 -9.050 9.942 1.00 0.00 H new ATOM 0 HA THR A 462 87.553 -10.427 7.760 1.00 0.00 H new ATOM 0 HB THR A 462 86.285 -11.431 9.846 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.809 -11.861 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.816 -13.396 9.798 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.500 -12.765 8.165 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.042 -12.402 8.976 1.00 0.00 H new ATOM 405 N GLU A 463 86.734 -7.962 9.623 1.00 0.00 N ATOM 406 CA GLU A 463 85.727 -6.939 9.879 1.00 0.00 C ATOM 407 C GLU A 463 86.248 -5.887 10.851 1.00 0.00 C ATOM 408 O GLU A 463 86.186 -4.689 10.578 1.00 0.00 O ATOM 409 CB GLU A 463 84.452 -7.576 10.434 1.00 0.00 C ATOM 410 CG GLU A 463 83.257 -7.453 9.502 1.00 0.00 C ATOM 411 CD GLU A 463 82.905 -6.011 9.193 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.816 -5.562 9.611 1.00 0.00 O ATOM 413 OE2 GLU A 463 83.715 -5.330 8.531 1.00 0.00 O ATOM 0 H GLU A 463 87.670 -7.726 9.952 1.00 0.00 H new ATOM 0 HA GLU A 463 85.499 -6.448 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.640 -8.631 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.208 -7.109 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.471 -7.978 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 463 82.396 -7.944 9.955 1.00 0.00 H new ATOM 420 N PRO A 464 86.775 -6.326 12.005 1.00 0.00 N ATOM 421 CA PRO A 464 87.312 -5.424 13.020 1.00 0.00 C ATOM 422 C PRO A 464 88.056 -4.239 12.414 1.00 0.00 C ATOM 423 O PRO A 464 88.133 -3.170 13.019 1.00 0.00 O ATOM 424 CB PRO A 464 88.265 -6.328 13.794 1.00 0.00 C ATOM 425 CG PRO A 464 87.634 -7.679 13.724 1.00 0.00 C ATOM 426 CD PRO A 464 86.892 -7.739 12.410 1.00 0.00 C ATOM 0 HA PRO A 464 86.532 -4.970 13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.260 -6.331 13.349 1.00 0.00 H new ATOM 0 HB3 PRO A 464 88.378 -5.995 14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 464 88.389 -8.463 13.779 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.953 -7.833 14.561 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.438 -8.323 11.669 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.913 -8.204 12.525 1.00 0.00 H new ATOM 434 N LEU A 465 88.600 -4.430 11.215 1.00 0.00 N ATOM 435 CA LEU A 465 89.332 -3.367 10.538 1.00 0.00 C ATOM 436 C LEU A 465 88.637 -2.024 10.741 1.00 0.00 C ATOM 437 O LEU A 465 87.628 -1.728 10.101 1.00 0.00 O ATOM 438 CB LEU A 465 89.468 -3.673 9.044 1.00 0.00 C ATOM 439 CG LEU A 465 90.894 -3.574 8.497 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.183 -4.716 7.534 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.110 -2.231 7.816 1.00 0.00 C ATOM 0 H LEU A 465 88.548 -5.306 10.696 1.00 0.00 H new ATOM 0 HA LEU A 465 90.330 -3.311 10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.091 -4.679 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.831 -2.986 8.487 1.00 0.00 H new ATOM 0 HG LEU A 465 91.588 -3.652 9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.202 -4.626 7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.071 -5.667 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.483 -4.674 6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.129 -2.177 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.406 -2.124 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 465 90.950 -1.428 8.536 1.00 0.00 H new ATOM 453 N PRO A 466 89.172 -1.203 11.656 1.00 0.00 N ATOM 454 CA PRO A 466 88.612 0.116 11.976 1.00 0.00 C ATOM 455 C PRO A 466 88.770 1.126 10.844 1.00 0.00 C ATOM 456 O PRO A 466 87.842 1.873 10.532 1.00 0.00 O ATOM 457 CB PRO A 466 89.426 0.557 13.195 1.00 0.00 C ATOM 458 CG PRO A 466 90.712 -0.184 13.078 1.00 0.00 C ATOM 459 CD PRO A 466 90.366 -1.508 12.462 1.00 0.00 C ATOM 0 HA PRO A 466 87.537 0.061 12.149 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.588 1.635 13.194 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.911 0.313 14.124 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.423 0.362 12.458 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.177 -0.317 14.055 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.180 -1.891 11.847 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.158 -2.263 13.220 1.00 0.00 H new ATOM 467 N GLY A 467 89.950 1.151 10.235 1.00 0.00 N ATOM 468 CA GLY A 467 90.204 2.080 9.150 1.00 0.00 C ATOM 469 C GLY A 467 91.678 2.395 8.996 1.00 0.00 C ATOM 470 O GLY A 467 92.508 1.878 9.742 1.00 0.00 O ATOM 0 H GLY A 467 90.735 0.545 10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.825 1.659 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.654 3.004 9.329 1.00 0.00 H new ATOM 474 N ARG A 468 92.005 3.250 8.033 1.00 0.00 N ATOM 475 CA ARG A 468 93.391 3.632 7.796 1.00 0.00 C ATOM 476 C ARG A 468 93.983 4.333 9.015 1.00 0.00 C ATOM 477 O ARG A 468 95.122 4.073 9.397 1.00 0.00 O ATOM 478 CB ARG A 468 93.485 4.545 6.573 1.00 0.00 C ATOM 479 CG ARG A 468 92.673 5.822 6.706 1.00 0.00 C ATOM 480 CD ARG A 468 92.188 6.319 5.354 1.00 0.00 C ATOM 481 NE ARG A 468 91.340 7.502 5.478 1.00 0.00 N ATOM 482 CZ ARG A 468 91.207 8.414 4.520 1.00 0.00 C ATOM 483 NH1 ARG A 468 91.859 8.274 3.375 1.00 0.00 N ATOM 484 NH2 ARG A 468 90.420 9.464 4.708 1.00 0.00 N ATOM 0 H ARG A 468 91.331 3.690 7.406 1.00 0.00 H new ATOM 0 HA ARG A 468 93.965 2.724 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.530 4.804 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.145 3.998 5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.817 5.644 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.280 6.592 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 468 93.047 6.553 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 468 91.633 5.526 4.854 1.00 0.00 H new ATOM 0 HE ARG A 468 90.822 7.635 6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 468 92.464 7.466 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 468 91.756 8.974 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 468 89.916 9.573 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 468 90.318 10.163 3.973 1.00 0.00 H new ATOM 498 N LYS A 469 93.205 5.225 9.620 1.00 0.00 N ATOM 499 CA LYS A 469 93.664 5.959 10.794 1.00 0.00 C ATOM 500 C LYS A 469 93.933 5.015 11.961 1.00 0.00 C ATOM 501 O LYS A 469 94.960 5.115 12.635 1.00 0.00 O ATOM 502 CB LYS A 469 92.627 7.007 11.201 1.00 0.00 C ATOM 503 CG LYS A 469 91.412 6.420 11.900 1.00 0.00 C ATOM 504 CD LYS A 469 90.395 7.495 12.247 1.00 0.00 C ATOM 505 CE LYS A 469 89.856 7.318 13.657 1.00 0.00 C ATOM 506 NZ LYS A 469 90.948 7.271 14.668 1.00 0.00 N ATOM 0 H LYS A 469 92.258 5.456 9.319 1.00 0.00 H new ATOM 0 HA LYS A 469 94.597 6.459 10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 469 93.098 7.736 11.860 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.299 7.546 10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.947 5.672 11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.726 5.908 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.857 8.478 12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 469 89.571 7.461 11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 469 89.179 8.139 13.892 1.00 0.00 H new ATOM 0 HE3 LYS A 469 89.273 6.399 13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 90.981 6.326 15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 91.858 7.472 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 90.769 7.983 15.405 1.00 0.00 H new ATOM 520 N GLN A 470 93.004 4.093 12.192 1.00 0.00 N ATOM 521 CA GLN A 470 93.140 3.131 13.278 1.00 0.00 C ATOM 522 C GLN A 470 94.156 2.054 12.921 1.00 0.00 C ATOM 523 O GLN A 470 94.999 1.687 13.738 1.00 0.00 O ATOM 524 CB GLN A 470 91.786 2.495 13.599 1.00 0.00 C ATOM 525 CG GLN A 470 90.904 3.357 14.488 1.00 0.00 C ATOM 526 CD GLN A 470 91.181 3.146 15.963 1.00 0.00 C ATOM 527 OE1 GLN A 470 90.769 2.143 16.546 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.880 4.094 16.576 1.00 0.00 N ATOM 0 H GLN A 470 92.151 3.992 11.642 1.00 0.00 H new ATOM 0 HA GLN A 470 93.497 3.662 14.161 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.259 2.292 12.667 1.00 0.00 H new ATOM 0 HB3 GLN A 470 91.952 1.535 14.087 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.059 4.407 14.239 1.00 0.00 H new ATOM 0 HG3 GLN A 470 89.857 3.132 14.283 1.00 0.00 H new ATOM 0 HE21 GLN A 470 92.202 4.909 16.054 1.00 0.00 H new ATOM 0 HE22 GLN A 470 92.095 4.007 17.569 1.00 0.00 H new ATOM 537 N VAL A 471 94.079 1.559 11.691 1.00 0.00 N ATOM 538 CA VAL A 471 95.003 0.534 11.230 1.00 0.00 C ATOM 539 C VAL A 471 96.429 1.068 11.227 1.00 0.00 C ATOM 540 O VAL A 471 97.362 0.386 11.650 1.00 0.00 O ATOM 541 CB VAL A 471 94.642 0.036 9.819 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.676 -0.962 9.324 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.251 -0.579 9.809 1.00 0.00 C ATOM 0 H VAL A 471 93.389 1.850 10.999 1.00 0.00 H new ATOM 0 HA VAL A 471 94.926 -0.306 11.921 1.00 0.00 H new ATOM 0 HB VAL A 471 94.642 0.890 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.404 -1.303 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.655 -0.485 9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.711 -1.815 10.001 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.013 -0.925 8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.221 -1.422 10.499 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.520 0.169 10.117 1.00 0.00 H new ATOM 553 N ARG A 472 96.588 2.301 10.758 1.00 0.00 N ATOM 554 CA ARG A 472 97.897 2.935 10.718 1.00 0.00 C ATOM 555 C ARG A 472 98.446 3.093 12.130 1.00 0.00 C ATOM 556 O ARG A 472 99.634 2.882 12.374 1.00 0.00 O ATOM 557 CB ARG A 472 97.816 4.297 10.025 1.00 0.00 C ATOM 558 CG ARG A 472 97.219 5.394 10.893 1.00 0.00 C ATOM 559 CD ARG A 472 97.549 6.773 10.348 1.00 0.00 C ATOM 560 NE ARG A 472 98.989 6.996 10.263 1.00 0.00 N ATOM 561 CZ ARG A 472 99.556 7.833 9.399 1.00 0.00 C ATOM 562 NH1 ARG A 472 98.808 8.509 8.539 1.00 0.00 N ATOM 563 NH2 ARG A 472 100.872 7.990 9.392 1.00 0.00 N ATOM 0 H ARG A 472 95.827 2.879 10.401 1.00 0.00 H new ATOM 0 HA ARG A 472 98.572 2.299 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.817 4.596 9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.218 4.198 9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.137 5.271 10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.599 5.303 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.105 6.888 9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 472 97.101 7.533 10.989 1.00 0.00 H new ATOM 0 HE ARG A 472 99.594 6.481 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 472 97.795 8.388 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 472 99.245 9.150 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 472 101.451 7.468 10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 472 101.305 8.632 8.729 1.00 0.00 H new ATOM 577 N ASP A 473 97.567 3.458 13.060 1.00 0.00 N ATOM 578 CA ASP A 473 97.958 3.636 14.453 1.00 0.00 C ATOM 579 C ASP A 473 98.366 2.302 15.069 1.00 0.00 C ATOM 580 O ASP A 473 99.274 2.241 15.897 1.00 0.00 O ATOM 581 CB ASP A 473 96.810 4.253 15.252 1.00 0.00 C ATOM 582 CG ASP A 473 97.288 4.937 16.518 1.00 0.00 C ATOM 583 OD1 ASP A 473 96.830 4.548 17.613 1.00 0.00 O ATOM 584 OD2 ASP A 473 98.124 5.859 16.415 1.00 0.00 O ATOM 0 H ASP A 473 96.580 3.636 12.873 1.00 0.00 H new ATOM 0 HA ASP A 473 98.813 4.311 14.486 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.284 4.976 14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.092 3.475 15.512 1.00 0.00 H new ATOM 589 N THR A 474 97.690 1.235 14.653 1.00 0.00 N ATOM 590 CA THR A 474 97.981 -0.103 15.155 1.00 0.00 C ATOM 591 C THR A 474 99.363 -0.562 14.703 1.00 0.00 C ATOM 592 O THR A 474 100.243 -0.851 15.523 1.00 0.00 O ATOM 593 CB THR A 474 96.935 -1.123 14.662 1.00 0.00 C ATOM 594 OG1 THR A 474 96.347 -0.711 13.423 1.00 0.00 O ATOM 595 CG2 THR A 474 95.820 -1.303 15.678 1.00 0.00 C ATOM 0 H THR A 474 96.935 1.272 13.968 1.00 0.00 H new ATOM 0 HA THR A 474 97.949 -0.052 16.243 1.00 0.00 H new ATOM 0 HB THR A 474 97.464 -2.066 14.522 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.055 -0.522 12.772 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.098 -2.028 15.302 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.239 -1.662 16.618 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.322 -0.348 15.844 1.00 0.00 H new ATOM 603 N LEU A 475 99.558 -0.609 13.389 1.00 0.00 N ATOM 604 CA LEU A 475 100.836 -1.014 12.827 1.00 0.00 C ATOM 605 C LEU A 475 101.921 -0.041 13.257 1.00 0.00 C ATOM 606 O LEU A 475 103.038 -0.442 13.584 1.00 0.00 O ATOM 607 CB LEU A 475 100.753 -1.076 11.301 1.00 0.00 C ATOM 608 CG LEU A 475 100.169 0.168 10.633 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.278 1.108 10.189 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.294 -0.225 9.453 1.00 0.00 C ATOM 0 H LEU A 475 98.847 -0.372 12.697 1.00 0.00 H new ATOM 0 HA LEU A 475 101.084 -2.008 13.198 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.754 -1.246 10.905 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.148 -1.938 11.020 1.00 0.00 H new ATOM 0 HG LEU A 475 99.550 0.692 11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.842 1.988 9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.863 1.415 11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.925 0.596 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.886 0.672 8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.891 -0.772 8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.477 -0.857 9.801 1.00 0.00 H new ATOM 622 N ALA A 476 101.578 1.242 13.267 1.00 0.00 N ATOM 623 CA ALA A 476 102.517 2.272 13.674 1.00 0.00 C ATOM 624 C ALA A 476 102.817 2.154 15.162 1.00 0.00 C ATOM 625 O ALA A 476 103.874 2.577 15.628 1.00 0.00 O ATOM 626 CB ALA A 476 101.982 3.658 13.350 1.00 0.00 C ATOM 0 H ALA A 476 100.658 1.590 12.998 1.00 0.00 H new ATOM 0 HA ALA A 476 103.442 2.128 13.116 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.705 4.410 13.665 1.00 0.00 H new ATOM 0 HB2 ALA A 476 101.816 3.742 12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.041 3.817 13.876 1.00 0.00 H new ATOM 632 N ALA A 477 101.881 1.564 15.902 1.00 0.00 N ATOM 633 CA ALA A 477 102.055 1.379 17.335 1.00 0.00 C ATOM 634 C ALA A 477 103.072 0.282 17.604 1.00 0.00 C ATOM 635 O ALA A 477 103.786 0.313 18.607 1.00 0.00 O ATOM 636 CB ALA A 477 100.732 1.053 18.011 1.00 0.00 C ATOM 0 H ALA A 477 100.999 1.208 15.532 1.00 0.00 H new ATOM 0 HA ALA A 477 102.425 2.314 17.755 1.00 0.00 H new ATOM 0 HB1 ALA A 477 100.893 0.920 19.081 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.029 1.870 17.849 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.324 0.135 17.589 1.00 0.00 H new ATOM 642 N ILE A 478 103.150 -0.682 16.690 1.00 0.00 N ATOM 643 CA ILE A 478 104.104 -1.778 16.825 1.00 0.00 C ATOM 644 C ILE A 478 105.489 -1.339 16.367 1.00 0.00 C ATOM 645 O ILE A 478 106.506 -1.797 16.889 1.00 0.00 O ATOM 646 CB ILE A 478 103.680 -3.012 16.006 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.160 -3.170 16.019 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.352 -4.265 16.550 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.566 -3.212 17.410 1.00 0.00 C ATOM 0 H ILE A 478 102.568 -0.726 15.853 1.00 0.00 H new ATOM 0 HA ILE A 478 104.127 -2.050 17.880 1.00 0.00 H new ATOM 0 HB ILE A 478 104.000 -2.868 14.974 1.00 0.00 H new ATOM 0 HG12 ILE A 478 101.713 -2.343 15.467 1.00 0.00 H new ATOM 0 HG13 ILE A 478 101.894 -4.086 15.492 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.043 -5.129 15.961 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.435 -4.153 16.489 1.00 0.00 H new ATOM 0 HG23 ILE A 478 104.061 -4.412 17.590 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.484 -3.326 17.340 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.985 -4.055 17.959 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.801 -2.285 17.934 1.00 0.00 H new ATOM 661 N SER A 479 105.517 -0.445 15.383 1.00 0.00 N ATOM 662 CA SER A 479 106.770 0.067 14.841 1.00 0.00 C ATOM 663 C SER A 479 106.508 1.235 13.896 1.00 0.00 C ATOM 664 O SER A 479 105.393 1.409 13.405 1.00 0.00 O ATOM 665 CB SER A 479 107.524 -1.042 14.105 1.00 0.00 C ATOM 666 OG SER A 479 107.581 -0.782 12.713 1.00 0.00 O ATOM 0 H SER A 479 104.681 -0.059 14.943 1.00 0.00 H new ATOM 0 HA SER A 479 107.383 0.420 15.671 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.535 -1.126 14.504 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.032 -1.999 14.280 1.00 0.00 H new ATOM 0 HG SER A 479 108.187 -1.422 12.285 1.00 0.00 H new ATOM 672 N GLU A 480 107.540 2.034 13.643 1.00 0.00 N ATOM 673 CA GLU A 480 107.412 3.182 12.754 1.00 0.00 C ATOM 674 C GLU A 480 107.353 2.737 11.297 1.00 0.00 C ATOM 675 O GLU A 480 108.302 2.150 10.777 1.00 0.00 O ATOM 676 CB GLU A 480 108.578 4.150 12.960 1.00 0.00 C ATOM 677 CG GLU A 480 108.203 5.606 12.738 1.00 0.00 C ATOM 678 CD GLU A 480 109.041 6.560 13.568 1.00 0.00 C ATOM 679 OE1 GLU A 480 110.234 6.739 13.243 1.00 0.00 O ATOM 680 OE2 GLU A 480 108.505 7.126 14.543 1.00 0.00 O ATOM 0 H GLU A 480 108.471 1.908 14.040 1.00 0.00 H new ATOM 0 HA GLU A 480 106.481 3.694 12.996 1.00 0.00 H new ATOM 0 HB2 GLU A 480 108.963 4.032 13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.386 3.883 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 480 108.321 5.850 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 480 107.150 5.747 12.982 1.00 0.00 H new ATOM 687 N VAL A 481 106.231 3.020 10.642 1.00 0.00 N ATOM 688 CA VAL A 481 106.047 2.648 9.244 1.00 0.00 C ATOM 689 C VAL A 481 106.123 3.870 8.337 1.00 0.00 C ATOM 690 O VAL A 481 105.969 5.003 8.792 1.00 0.00 O ATOM 691 CB VAL A 481 104.695 1.947 9.018 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.588 0.694 9.874 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.546 2.901 9.306 1.00 0.00 C ATOM 0 H VAL A 481 105.436 3.506 11.057 1.00 0.00 H new ATOM 0 HA VAL A 481 106.853 1.957 8.995 1.00 0.00 H new ATOM 0 HB VAL A 481 104.634 1.646 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.625 0.215 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.390 0.004 9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 481 104.672 0.964 10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.598 2.389 9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.602 3.236 10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.613 3.763 8.642 1.00 0.00 H new ATOM 703 N LEU A 482 106.354 3.631 7.052 1.00 0.00 N ATOM 704 CA LEU A 482 106.444 4.712 6.081 1.00 0.00 C ATOM 705 C LEU A 482 105.053 5.170 5.651 1.00 0.00 C ATOM 706 O LEU A 482 104.639 6.288 5.955 1.00 0.00 O ATOM 707 CB LEU A 482 107.253 4.270 4.860 1.00 0.00 C ATOM 708 CG LEU A 482 108.471 5.139 4.540 1.00 0.00 C ATOM 709 CD1 LEU A 482 109.439 4.393 3.635 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.036 6.447 3.898 1.00 0.00 C ATOM 0 H LEU A 482 106.482 2.698 6.659 1.00 0.00 H new ATOM 0 HA LEU A 482 106.954 5.551 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 482 107.589 3.245 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.595 4.260 3.991 1.00 0.00 H new ATOM 0 HG LEU A 482 108.986 5.368 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 482 110.298 5.028 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 482 109.776 3.484 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 482 108.938 4.132 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.914 7.053 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 482 107.498 6.237 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.384 6.989 4.583 1.00 0.00 H new ATOM 722 N TYR A 483 104.338 4.301 4.940 1.00 0.00 N ATOM 723 CA TYR A 483 102.994 4.632 4.471 1.00 0.00 C ATOM 724 C TYR A 483 102.089 3.403 4.471 1.00 0.00 C ATOM 725 O TYR A 483 102.524 2.304 4.142 1.00 0.00 O ATOM 726 CB TYR A 483 103.051 5.234 3.066 1.00 0.00 C ATOM 727 CG TYR A 483 101.720 5.224 2.346 1.00 0.00 C ATOM 728 CD1 TYR A 483 100.923 6.362 2.303 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.260 4.077 1.711 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.705 6.356 1.649 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.045 4.064 1.055 1.00 0.00 C ATOM 732 CZ TYR A 483 99.270 5.205 1.026 1.00 0.00 C ATOM 733 OH TYR A 483 98.058 5.193 0.373 1.00 0.00 O ATOM 0 H TYR A 483 104.663 3.370 4.678 1.00 0.00 H new ATOM 0 HA TYR A 483 102.575 5.367 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.409 6.261 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.779 4.681 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.261 7.266 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.863 3.181 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.097 7.248 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.703 3.164 0.566 1.00 0.00 H new ATOM 0 HH TYR A 483 97.813 4.269 0.155 1.00 0.00 H new ATOM 743 N VAL A 484 100.827 3.600 4.838 1.00 0.00 N ATOM 744 CA VAL A 484 99.862 2.507 4.874 1.00 0.00 C ATOM 745 C VAL A 484 98.871 2.613 3.719 1.00 0.00 C ATOM 746 O VAL A 484 98.182 3.622 3.570 1.00 0.00 O ATOM 747 CB VAL A 484 99.087 2.483 6.204 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.625 3.881 6.582 1.00 0.00 C ATOM 749 CG2 VAL A 484 97.906 1.528 6.119 1.00 0.00 C ATOM 0 H VAL A 484 100.449 4.506 5.115 1.00 0.00 H new ATOM 0 HA VAL A 484 100.429 1.581 4.779 1.00 0.00 H new ATOM 0 HB VAL A 484 99.758 2.125 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.079 3.841 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 484 99.491 4.533 6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 484 97.972 4.272 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 484 97.371 1.525 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.233 1.851 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 484 98.266 0.522 5.903 1.00 0.00 H new ATOM 759 N ASP A 485 98.808 1.567 2.899 1.00 0.00 N ATOM 760 CA ASP A 485 97.904 1.546 1.754 1.00 0.00 C ATOM 761 C ASP A 485 96.612 0.803 2.078 1.00 0.00 C ATOM 762 O ASP A 485 96.637 -0.304 2.613 1.00 0.00 O ATOM 763 CB ASP A 485 98.590 0.892 0.552 1.00 0.00 C ATOM 764 CG ASP A 485 98.327 1.642 -0.740 1.00 0.00 C ATOM 765 OD1 ASP A 485 98.613 1.082 -1.820 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.833 2.787 -0.673 1.00 0.00 O ATOM 0 H ASP A 485 99.372 0.724 3.007 1.00 0.00 H new ATOM 0 HA ASP A 485 97.651 2.578 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.664 0.846 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.239 -0.135 0.451 1.00 0.00 H new ATOM 771 N LEU A 486 95.484 1.418 1.746 1.00 0.00 N ATOM 772 CA LEU A 486 94.179 0.815 1.993 1.00 0.00 C ATOM 773 C LEU A 486 93.333 0.848 0.726 1.00 0.00 C ATOM 774 O LEU A 486 93.161 1.903 0.116 1.00 0.00 O ATOM 775 CB LEU A 486 93.457 1.551 3.123 1.00 0.00 C ATOM 776 CG LEU A 486 92.658 0.657 4.075 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.034 1.485 5.188 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.587 -0.109 3.313 1.00 0.00 C ATOM 0 H LEU A 486 95.446 2.336 1.304 1.00 0.00 H new ATOM 0 HA LEU A 486 94.329 -0.223 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.194 2.106 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 486 92.780 2.284 2.684 1.00 0.00 H new ATOM 0 HG LEU A 486 93.341 -0.063 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.470 0.832 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 486 92.820 1.988 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 486 91.364 2.229 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 486 91.029 -0.739 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 486 90.907 0.596 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 486 92.057 -0.733 2.553 1.00 0.00 H new ATOM 790 N LEU A 487 92.811 -0.309 0.325 1.00 0.00 N ATOM 791 CA LEU A 487 91.993 -0.387 -0.879 1.00 0.00 C ATOM 792 C LEU A 487 90.541 -0.023 -0.586 1.00 0.00 C ATOM 793 O LEU A 487 89.847 -0.730 0.144 1.00 0.00 O ATOM 794 CB LEU A 487 92.069 -1.791 -1.481 1.00 0.00 C ATOM 795 CG LEU A 487 93.003 -1.927 -2.684 1.00 0.00 C ATOM 796 CD1 LEU A 487 94.020 -3.031 -2.447 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.205 -2.198 -3.951 1.00 0.00 C ATOM 0 H LEU A 487 92.939 -1.196 0.812 1.00 0.00 H new ATOM 0 HA LEU A 487 92.385 0.333 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.395 -2.485 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.067 -2.096 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 487 93.540 -0.987 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.676 -3.113 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.613 -2.796 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.501 -3.977 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 487 92.886 -2.292 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.641 -3.123 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.516 -1.373 -4.130 1.00 0.00 H new ATOM 809 N GLU A 488 90.089 1.083 -1.169 1.00 0.00 N ATOM 810 CA GLU A 488 88.719 1.548 -0.982 1.00 0.00 C ATOM 811 C GLU A 488 88.279 1.416 0.472 1.00 0.00 C ATOM 812 O GLU A 488 87.092 1.260 0.761 1.00 0.00 O ATOM 813 CB GLU A 488 87.771 0.769 -1.891 1.00 0.00 C ATOM 814 CG GLU A 488 87.762 1.279 -3.321 1.00 0.00 C ATOM 815 CD GLU A 488 86.391 1.199 -3.962 1.00 0.00 C ATOM 816 OE1 GLU A 488 85.971 2.193 -4.590 1.00 0.00 O ATOM 817 OE2 GLU A 488 85.737 0.142 -3.836 1.00 0.00 O ATOM 0 H GLU A 488 90.654 1.676 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 488 88.685 2.605 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 488 88.058 -0.283 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 488 86.761 0.825 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 488 88.106 2.313 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 488 88.470 0.700 -3.914 1.00 0.00 H new ATOM 824 N GLY A 489 89.242 1.483 1.381 1.00 0.00 N ATOM 825 CA GLY A 489 88.938 1.375 2.797 1.00 0.00 C ATOM 826 C GLY A 489 88.466 -0.009 3.188 1.00 0.00 C ATOM 827 O GLY A 489 88.068 -0.237 4.331 1.00 0.00 O ATOM 0 H GLY A 489 90.231 1.610 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 489 89.826 1.629 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 489 88.170 2.103 3.056 1.00 0.00 H new ATOM 831 N ASP A 490 88.513 -0.935 2.239 1.00 0.00 N ATOM 832 CA ASP A 490 88.089 -2.307 2.488 1.00 0.00 C ATOM 833 C ASP A 490 88.813 -2.887 3.696 1.00 0.00 C ATOM 834 O ASP A 490 89.383 -2.152 4.503 1.00 0.00 O ATOM 835 CB ASP A 490 88.359 -3.170 1.255 1.00 0.00 C ATOM 836 CG ASP A 490 87.283 -4.216 1.031 1.00 0.00 C ATOM 837 OD1 ASP A 490 86.408 -4.366 1.909 1.00 0.00 O ATOM 838 OD2 ASP A 490 87.317 -4.883 -0.025 1.00 0.00 O ATOM 0 H ASP A 490 88.841 -0.761 1.289 1.00 0.00 H new ATOM 0 HA ASP A 490 87.019 -2.303 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.428 -2.530 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.324 -3.664 1.366 1.00 0.00 H new ATOM 843 N THR A 491 88.792 -4.209 3.815 1.00 0.00 N ATOM 844 CA THR A 491 89.448 -4.886 4.924 1.00 0.00 C ATOM 845 C THR A 491 90.844 -5.354 4.528 1.00 0.00 C ATOM 846 O THR A 491 91.467 -6.147 5.236 1.00 0.00 O ATOM 847 CB THR A 491 88.631 -6.100 5.409 1.00 0.00 C ATOM 848 OG1 THR A 491 88.261 -6.951 4.316 1.00 0.00 O ATOM 849 CG2 THR A 491 87.365 -5.651 6.119 1.00 0.00 C ATOM 0 H THR A 491 88.327 -4.833 3.156 1.00 0.00 H new ATOM 0 HA THR A 491 89.523 -4.163 5.736 1.00 0.00 H new ATOM 0 HB THR A 491 89.267 -6.654 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 491 88.833 -6.759 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.805 -6.525 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 491 87.629 -5.039 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.751 -5.067 5.434 1.00 0.00 H new ATOM 857 N GLU A 492 91.329 -4.867 3.389 1.00 0.00 N ATOM 858 CA GLU A 492 92.650 -5.243 2.902 1.00 0.00 C ATOM 859 C GLU A 492 93.516 -4.016 2.627 1.00 0.00 C ATOM 860 O GLU A 492 93.178 -3.170 1.792 1.00 0.00 O ATOM 861 CB GLU A 492 92.526 -6.084 1.629 1.00 0.00 C ATOM 862 CG GLU A 492 91.452 -5.590 0.676 1.00 0.00 C ATOM 863 CD GLU A 492 90.104 -6.235 0.932 1.00 0.00 C ATOM 864 OE1 GLU A 492 89.488 -6.730 -0.036 1.00 0.00 O ATOM 865 OE2 GLU A 492 89.664 -6.245 2.101 1.00 0.00 O ATOM 0 H GLU A 492 90.827 -4.213 2.788 1.00 0.00 H new ATOM 0 HA GLU A 492 93.133 -5.832 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.485 -6.088 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 492 92.308 -7.116 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.357 -4.508 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 492 91.760 -5.794 -0.350 1.00 0.00 H new ATOM 872 N CYS A 493 94.639 -3.928 3.335 1.00 0.00 N ATOM 873 CA CYS A 493 95.565 -2.814 3.172 1.00 0.00 C ATOM 874 C CYS A 493 97.005 -3.316 3.171 1.00 0.00 C ATOM 875 O CYS A 493 97.326 -4.299 3.834 1.00 0.00 O ATOM 876 CB CYS A 493 95.376 -1.792 4.295 1.00 0.00 C ATOM 877 SG CYS A 493 94.462 -2.417 5.724 1.00 0.00 S ATOM 0 H CYS A 493 94.929 -4.617 4.029 1.00 0.00 H new ATOM 0 HA CYS A 493 95.355 -2.333 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 493 96.356 -1.449 4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.853 -0.923 3.895 1.00 0.00 H new ATOM 0 HG CYS A 493 94.174 -1.431 6.520 1.00 0.00 H new ATOM 883 N HIS A 494 97.871 -2.632 2.430 1.00 0.00 N ATOM 884 CA HIS A 494 99.275 -3.014 2.354 1.00 0.00 C ATOM 885 C HIS A 494 100.176 -1.845 2.742 1.00 0.00 C ATOM 886 O HIS A 494 100.337 -0.892 1.980 1.00 0.00 O ATOM 887 CB HIS A 494 99.622 -3.493 0.945 1.00 0.00 C ATOM 888 CG HIS A 494 98.970 -4.789 0.579 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.615 -5.012 0.704 1.00 0.00 N ATOM 890 CD2 HIS A 494 99.494 -5.936 0.087 1.00 0.00 C ATOM 891 CE1 HIS A 494 97.334 -6.240 0.306 1.00 0.00 C ATOM 892 NE2 HIS A 494 98.456 -6.821 -0.074 1.00 0.00 N ATOM 0 H HIS A 494 97.625 -1.812 1.875 1.00 0.00 H new ATOM 0 HA HIS A 494 99.442 -3.830 3.057 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.324 -2.730 0.226 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.703 -3.603 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.534 -6.121 -0.137 1.00 0.00 H new ATOM 0 HE1 HIS A 494 96.353 -6.691 0.294 1.00 0.00 H new ATOM 0 HE2 HIS A 494 98.539 -7.773 -0.430 1.00 0.00 H new ATOM 901 N ALA A 495 100.755 -1.920 3.937 1.00 0.00 N ATOM 902 CA ALA A 495 101.631 -0.864 4.429 1.00 0.00 C ATOM 903 C ALA A 495 103.073 -1.076 3.974 1.00 0.00 C ATOM 904 O ALA A 495 103.610 -2.179 4.070 1.00 0.00 O ATOM 905 CB ALA A 495 101.571 -0.777 5.946 1.00 0.00 C ATOM 0 H ALA A 495 100.633 -2.701 4.581 1.00 0.00 H new ATOM 0 HA ALA A 495 101.276 0.076 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.232 0.018 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.549 -0.560 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.888 -1.726 6.378 1.00 0.00 H new ATOM 911 N ARG A 496 103.692 -0.005 3.488 1.00 0.00 N ATOM 912 CA ARG A 496 105.073 -0.051 3.024 1.00 0.00 C ATOM 913 C ARG A 496 106.028 0.389 4.131 1.00 0.00 C ATOM 914 O ARG A 496 105.825 1.429 4.767 1.00 0.00 O ATOM 915 CB ARG A 496 105.249 0.846 1.797 1.00 0.00 C ATOM 916 CG ARG A 496 104.047 0.849 0.867 1.00 0.00 C ATOM 917 CD ARG A 496 104.473 0.830 -0.591 1.00 0.00 C ATOM 918 NE ARG A 496 103.905 1.947 -1.341 1.00 0.00 N ATOM 919 CZ ARG A 496 102.604 2.101 -1.558 1.00 0.00 C ATOM 920 NH1 ARG A 496 101.740 1.218 -1.077 1.00 0.00 N ATOM 921 NH2 ARG A 496 102.165 3.142 -2.254 1.00 0.00 N ATOM 0 H ARG A 496 103.254 0.912 3.405 1.00 0.00 H new ATOM 0 HA ARG A 496 105.308 -1.079 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.444 1.866 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 496 106.127 0.518 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.421 -0.019 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.439 1.733 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.561 0.868 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 496 104.161 -0.109 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 496 104.543 2.648 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 496 102.074 0.418 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 496 100.741 1.338 -1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 496 102.827 3.825 -2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 496 101.166 3.259 -2.420 1.00 0.00 H new ATOM 935 N PHE A 497 107.069 -0.412 4.347 1.00 0.00 N ATOM 936 CA PHE A 497 108.071 -0.125 5.370 1.00 0.00 C ATOM 937 C PHE A 497 109.395 0.281 4.731 1.00 0.00 C ATOM 938 O PHE A 497 109.694 -0.108 3.603 1.00 0.00 O ATOM 939 CB PHE A 497 108.289 -1.354 6.257 1.00 0.00 C ATOM 940 CG PHE A 497 107.101 -1.711 7.102 1.00 0.00 C ATOM 941 CD1 PHE A 497 107.234 -1.878 8.472 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.852 -1.886 6.529 1.00 0.00 C ATOM 943 CE1 PHE A 497 106.144 -2.209 9.254 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.757 -2.217 7.306 1.00 0.00 C ATOM 945 CZ PHE A 497 104.904 -2.380 8.670 1.00 0.00 C ATOM 0 H PHE A 497 107.241 -1.270 3.823 1.00 0.00 H new ATOM 0 HA PHE A 497 107.705 0.702 5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.543 -2.205 5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.145 -1.173 6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 497 108.202 -1.748 8.934 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.732 -1.762 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 497 106.261 -2.334 10.320 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.788 -2.348 6.847 1.00 0.00 H new ATOM 0 HZ PHE A 497 104.051 -2.641 9.279 1.00 0.00 H new ATOM 955 N LYS A 498 110.190 1.062 5.455 1.00 0.00 N ATOM 956 CA LYS A 498 111.482 1.511 4.946 1.00 0.00 C ATOM 957 C LYS A 498 112.544 0.432 5.135 1.00 0.00 C ATOM 958 O LYS A 498 113.583 0.451 4.474 1.00 0.00 O ATOM 959 CB LYS A 498 111.916 2.795 5.654 1.00 0.00 C ATOM 960 CG LYS A 498 112.866 3.652 4.833 1.00 0.00 C ATOM 961 CD LYS A 498 112.569 5.133 5.009 1.00 0.00 C ATOM 962 CE LYS A 498 113.847 5.956 5.082 1.00 0.00 C ATOM 963 NZ LYS A 498 113.721 7.244 4.347 1.00 0.00 N ATOM 0 H LYS A 498 109.964 1.396 6.392 1.00 0.00 H new ATOM 0 HA LYS A 498 111.374 1.711 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 498 111.031 3.382 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.397 2.535 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 498 113.894 3.447 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.781 3.385 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 498 111.957 5.483 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 498 111.987 5.282 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.091 6.156 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 498 114.674 5.380 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 114.612 7.775 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 113.514 7.054 3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 112.949 7.805 4.760 1.00 0.00 H new ATOM 977 N THR A 499 112.278 -0.506 6.039 1.00 0.00 N ATOM 978 CA THR A 499 113.214 -1.590 6.313 1.00 0.00 C ATOM 979 C THR A 499 112.482 -2.918 6.478 1.00 0.00 C ATOM 980 O THR A 499 111.321 -2.955 6.884 1.00 0.00 O ATOM 981 CB THR A 499 114.039 -1.315 7.586 1.00 0.00 C ATOM 982 OG1 THR A 499 113.235 -0.724 8.615 1.00 0.00 O ATOM 983 CG2 THR A 499 115.201 -0.380 7.288 1.00 0.00 C ATOM 0 H THR A 499 111.423 -0.537 6.594 1.00 0.00 H new ATOM 0 HA THR A 499 113.887 -1.649 5.457 1.00 0.00 H new ATOM 0 HB THR A 499 114.416 -2.278 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.786 -0.564 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.768 -0.201 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.851 -0.835 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.818 0.567 6.908 1.00 0.00 H new ATOM 991 N PRO A 500 113.161 -4.030 6.160 1.00 0.00 N ATOM 992 CA PRO A 500 112.584 -5.372 6.267 1.00 0.00 C ATOM 993 C PRO A 500 112.497 -5.859 7.710 1.00 0.00 C ATOM 994 O PRO A 500 111.541 -6.537 8.091 1.00 0.00 O ATOM 995 CB PRO A 500 113.561 -6.237 5.474 1.00 0.00 C ATOM 996 CG PRO A 500 114.868 -5.528 5.578 1.00 0.00 C ATOM 997 CD PRO A 500 114.549 -4.059 5.665 1.00 0.00 C ATOM 0 HA PRO A 500 111.560 -5.404 5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.623 -7.244 5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.247 -6.338 4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.420 -5.858 6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.494 -5.739 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.227 -3.542 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.638 -3.572 4.694 1.00 0.00 H new ATOM 1005 N GLU A 501 113.502 -5.514 8.508 1.00 0.00 N ATOM 1006 CA GLU A 501 113.542 -5.920 9.910 1.00 0.00 C ATOM 1007 C GLU A 501 112.353 -5.358 10.681 1.00 0.00 C ATOM 1008 O GLU A 501 111.776 -6.040 11.529 1.00 0.00 O ATOM 1009 CB GLU A 501 114.846 -5.456 10.561 1.00 0.00 C ATOM 1010 CG GLU A 501 115.173 -3.997 10.292 1.00 0.00 C ATOM 1011 CD GLU A 501 116.643 -3.773 9.998 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.437 -4.718 10.185 1.00 0.00 O ATOM 1013 OE2 GLU A 501 117.001 -2.651 9.579 1.00 0.00 O ATOM 0 H GLU A 501 114.300 -4.954 8.209 1.00 0.00 H new ATOM 0 HA GLU A 501 113.490 -7.008 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.781 -5.613 11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.665 -6.077 10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 501 114.580 -3.645 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.884 -3.399 11.156 1.00 0.00 H new ATOM 1020 N ASP A 502 111.992 -4.114 10.386 1.00 0.00 N ATOM 1021 CA ASP A 502 110.873 -3.466 11.060 1.00 0.00 C ATOM 1022 C ASP A 502 109.568 -4.209 10.790 1.00 0.00 C ATOM 1023 O ASP A 502 108.733 -4.358 11.681 1.00 0.00 O ATOM 1024 CB ASP A 502 110.749 -2.010 10.608 1.00 0.00 C ATOM 1025 CG ASP A 502 110.807 -1.040 11.772 1.00 0.00 C ATOM 1026 OD1 ASP A 502 111.167 0.135 11.548 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.491 -1.454 12.907 1.00 0.00 O ATOM 0 H ASP A 502 112.457 -3.535 9.686 1.00 0.00 H new ATOM 0 HA ASP A 502 111.067 -3.490 12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.551 -1.780 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.809 -1.877 10.073 1.00 0.00 H new ATOM 1032 N ALA A 503 109.399 -4.676 9.556 1.00 0.00 N ATOM 1033 CA ALA A 503 108.195 -5.404 9.176 1.00 0.00 C ATOM 1034 C ALA A 503 108.114 -6.741 9.906 1.00 0.00 C ATOM 1035 O ALA A 503 107.048 -7.142 10.372 1.00 0.00 O ATOM 1036 CB ALA A 503 108.141 -5.619 7.670 1.00 0.00 C ATOM 0 H ALA A 503 110.080 -4.563 8.805 1.00 0.00 H new ATOM 0 HA ALA A 503 107.336 -4.800 9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.233 -6.164 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 503 108.140 -4.653 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 503 109.011 -6.193 7.353 1.00 0.00 H new ATOM 1042 N GLN A 504 109.249 -7.426 10.002 1.00 0.00 N ATOM 1043 CA GLN A 504 109.307 -8.718 10.677 1.00 0.00 C ATOM 1044 C GLN A 504 108.928 -8.579 12.149 1.00 0.00 C ATOM 1045 O GLN A 504 108.208 -9.412 12.698 1.00 0.00 O ATOM 1046 CB GLN A 504 110.714 -9.313 10.558 1.00 0.00 C ATOM 1047 CG GLN A 504 110.775 -10.576 9.714 1.00 0.00 C ATOM 1048 CD GLN A 504 111.509 -10.365 8.404 1.00 0.00 C ATOM 1049 OE1 GLN A 504 110.942 -9.858 7.437 1.00 0.00 O ATOM 1050 NE2 GLN A 504 112.778 -10.756 8.366 1.00 0.00 N ATOM 0 H GLN A 504 110.140 -7.108 9.621 1.00 0.00 H new ATOM 0 HA GLN A 504 108.592 -9.386 10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.379 -8.566 10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.090 -9.536 11.557 1.00 0.00 H new ATOM 0 HG2 GLN A 504 111.270 -11.364 10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 504 109.762 -10.920 9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 504 113.208 -11.172 9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 504 113.322 -10.640 7.511 1.00 0.00 H new ATOM 1059 N ALA A 505 109.433 -7.528 12.785 1.00 0.00 N ATOM 1060 CA ALA A 505 109.163 -7.284 14.196 1.00 0.00 C ATOM 1061 C ALA A 505 107.686 -6.989 14.453 1.00 0.00 C ATOM 1062 O ALA A 505 107.122 -7.448 15.447 1.00 0.00 O ATOM 1063 CB ALA A 505 110.020 -6.140 14.719 1.00 0.00 C ATOM 0 H ALA A 505 110.033 -6.830 12.344 1.00 0.00 H new ATOM 0 HA ALA A 505 109.420 -8.197 14.733 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.802 -5.975 15.774 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.074 -6.392 14.601 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.798 -5.233 14.157 1.00 0.00 H new ATOM 1069 N VAL A 506 107.063 -6.216 13.568 1.00 0.00 N ATOM 1070 CA VAL A 506 105.655 -5.864 13.731 1.00 0.00 C ATOM 1071 C VAL A 506 104.740 -7.071 13.541 1.00 0.00 C ATOM 1072 O VAL A 506 103.787 -7.260 14.296 1.00 0.00 O ATOM 1073 CB VAL A 506 105.229 -4.753 12.752 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.549 -5.147 11.319 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.749 -4.445 12.912 1.00 0.00 C ATOM 0 H VAL A 506 107.506 -5.824 12.737 1.00 0.00 H new ATOM 0 HA VAL A 506 105.552 -5.500 14.753 1.00 0.00 H new ATOM 0 HB VAL A 506 105.794 -3.851 12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.240 -4.348 10.644 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.622 -5.313 11.218 1.00 0.00 H new ATOM 0 HG13 VAL A 506 105.015 -6.063 11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.464 -3.658 12.214 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.166 -5.343 12.705 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.555 -4.113 13.932 1.00 0.00 H new ATOM 1085 N ILE A 507 105.026 -7.882 12.528 1.00 0.00 N ATOM 1086 CA ILE A 507 104.212 -9.064 12.251 1.00 0.00 C ATOM 1087 C ILE A 507 104.299 -10.075 13.386 1.00 0.00 C ATOM 1088 O ILE A 507 103.326 -10.764 13.694 1.00 0.00 O ATOM 1089 CB ILE A 507 104.616 -9.759 10.937 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.131 -9.976 10.872 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.141 -8.950 9.739 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.591 -11.261 11.527 1.00 0.00 C ATOM 0 H ILE A 507 105.809 -7.746 11.888 1.00 0.00 H new ATOM 0 HA ILE A 507 103.187 -8.705 12.155 1.00 0.00 H new ATOM 0 HB ILE A 507 104.134 -10.736 10.910 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.444 -9.979 9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.630 -9.135 11.353 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.435 -9.455 8.819 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.056 -8.856 9.771 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.592 -7.958 9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.674 -11.345 11.441 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.310 -11.254 12.580 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.121 -12.110 11.032 1.00 0.00 H new ATOM 1104 N ASN A 508 105.463 -10.144 14.016 1.00 0.00 N ATOM 1105 CA ASN A 508 105.665 -11.058 15.130 1.00 0.00 C ATOM 1106 C ASN A 508 104.877 -10.587 16.346 1.00 0.00 C ATOM 1107 O ASN A 508 104.274 -11.385 17.063 1.00 0.00 O ATOM 1108 CB ASN A 508 107.151 -11.158 15.476 1.00 0.00 C ATOM 1109 CG ASN A 508 107.902 -12.085 14.539 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.584 -13.268 14.433 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.906 -11.548 13.856 1.00 0.00 N ATOM 0 H ASN A 508 106.279 -9.580 13.776 1.00 0.00 H new ATOM 0 HA ASN A 508 105.307 -12.045 14.837 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.598 -10.165 15.436 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.260 -11.515 16.500 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.449 -12.122 13.211 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.134 -10.561 13.976 1.00 0.00 H new ATOM 1118 N ALA A 509 104.890 -9.277 16.560 1.00 0.00 N ATOM 1119 CA ALA A 509 104.182 -8.665 17.680 1.00 0.00 C ATOM 1120 C ALA A 509 102.679 -8.586 17.421 1.00 0.00 C ATOM 1121 O ALA A 509 101.880 -8.541 18.355 1.00 0.00 O ATOM 1122 CB ALA A 509 104.732 -7.278 17.971 1.00 0.00 C ATOM 0 H ALA A 509 105.387 -8.612 15.967 1.00 0.00 H new ATOM 0 HA ALA A 509 104.342 -9.301 18.550 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.190 -6.840 18.809 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.790 -7.351 18.222 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.611 -6.646 17.091 1.00 0.00 H new ATOM 1128 N TYR A 510 102.305 -8.541 16.145 1.00 0.00 N ATOM 1129 CA TYR A 510 100.901 -8.434 15.762 1.00 0.00 C ATOM 1130 C TYR A 510 100.103 -9.672 16.144 1.00 0.00 C ATOM 1131 O TYR A 510 98.875 -9.621 16.220 1.00 0.00 O ATOM 1132 CB TYR A 510 100.773 -8.186 14.264 1.00 0.00 C ATOM 1133 CG TYR A 510 100.167 -6.844 13.933 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.342 -6.675 12.826 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.420 -5.742 14.736 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.790 -5.443 12.530 1.00 0.00 C ATOM 1137 CE2 TYR A 510 99.871 -4.506 14.447 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.057 -4.362 13.345 1.00 0.00 C ATOM 1139 OH TYR A 510 98.511 -3.133 13.055 1.00 0.00 O ATOM 0 H TYR A 510 102.955 -8.577 15.359 1.00 0.00 H new ATOM 0 HA TYR A 510 100.488 -7.588 16.311 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.759 -8.255 13.805 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.161 -8.973 13.823 1.00 0.00 H new ATOM 0 HD1 TYR A 510 99.129 -7.520 12.188 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.057 -5.851 15.602 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.153 -5.327 11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.079 -3.658 15.082 1.00 0.00 H new ATOM 0 HH TYR A 510 97.554 -3.236 12.870 1.00 0.00 H new ATOM 1149 N THR A 511 100.787 -10.780 16.396 1.00 0.00 N ATOM 1150 CA THR A 511 100.100 -12.002 16.779 1.00 0.00 C ATOM 1151 C THR A 511 99.109 -11.706 17.895 1.00 0.00 C ATOM 1152 O THR A 511 98.016 -12.269 17.945 1.00 0.00 O ATOM 1153 CB THR A 511 101.088 -13.083 17.254 1.00 0.00 C ATOM 1154 OG1 THR A 511 100.400 -14.244 17.738 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.976 -12.550 18.369 1.00 0.00 C ATOM 0 H THR A 511 101.803 -10.857 16.343 1.00 0.00 H new ATOM 0 HA THR A 511 99.577 -12.378 15.900 1.00 0.00 H new ATOM 0 HB THR A 511 101.697 -13.357 16.392 1.00 0.00 H new ATOM 0 HG1 THR A 511 101.053 -14.913 18.031 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.666 -13.331 18.689 1.00 0.00 H new ATOM 0 HG22 THR A 511 102.542 -11.692 18.005 1.00 0.00 H new ATOM 0 HG23 THR A 511 101.357 -12.245 19.213 1.00 0.00 H new ATOM 1163 N GLU A 512 99.516 -10.817 18.793 1.00 0.00 N ATOM 1164 CA GLU A 512 98.685 -10.432 19.927 1.00 0.00 C ATOM 1165 C GLU A 512 97.426 -9.709 19.463 1.00 0.00 C ATOM 1166 O GLU A 512 96.404 -9.725 20.147 1.00 0.00 O ATOM 1167 CB GLU A 512 99.479 -9.543 20.885 1.00 0.00 C ATOM 1168 CG GLU A 512 100.483 -10.309 21.728 1.00 0.00 C ATOM 1169 CD GLU A 512 99.829 -11.066 22.868 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.873 -10.570 24.013 1.00 0.00 O ATOM 1171 OE2 GLU A 512 99.274 -12.157 22.615 1.00 0.00 O ATOM 0 H GLU A 512 100.421 -10.347 18.757 1.00 0.00 H new ATOM 0 HA GLU A 512 98.383 -11.340 20.450 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.005 -8.781 20.310 1.00 0.00 H new ATOM 0 HB3 GLU A 512 98.785 -9.022 21.544 1.00 0.00 H new ATOM 0 HG2 GLU A 512 101.024 -11.011 21.094 1.00 0.00 H new ATOM 0 HG3 GLU A 512 101.218 -9.613 22.133 1.00 0.00 H new ATOM 1178 N ILE A 513 97.505 -9.078 18.298 1.00 0.00 N ATOM 1179 CA ILE A 513 96.368 -8.353 17.746 1.00 0.00 C ATOM 1180 C ILE A 513 95.069 -9.123 17.964 1.00 0.00 C ATOM 1181 O ILE A 513 94.031 -8.535 18.265 1.00 0.00 O ATOM 1182 CB ILE A 513 96.550 -8.086 16.239 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.819 -7.264 15.993 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.331 -7.376 15.670 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.591 -5.767 16.018 1.00 0.00 C ATOM 0 H ILE A 513 98.344 -9.054 17.718 1.00 0.00 H new ATOM 0 HA ILE A 513 96.314 -7.399 18.271 1.00 0.00 H new ATOM 0 HB ILE A 513 96.655 -9.043 15.728 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.560 -7.522 16.749 1.00 0.00 H new ATOM 0 HG13 ILE A 513 98.239 -7.542 15.027 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.479 -7.196 14.605 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.448 -7.998 15.814 1.00 0.00 H new ATOM 0 HG23 ILE A 513 95.192 -6.424 16.183 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.534 -5.252 15.836 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.874 -5.495 15.243 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.200 -5.475 16.993 1.00 0.00 H new ATOM 1197 N ASN A 514 95.133 -10.443 17.810 1.00 0.00 N ATOM 1198 CA ASN A 514 93.959 -11.290 17.989 1.00 0.00 C ATOM 1199 C ASN A 514 93.359 -11.112 19.380 1.00 0.00 C ATOM 1200 O ASN A 514 92.156 -11.285 19.574 1.00 0.00 O ATOM 1201 CB ASN A 514 94.327 -12.758 17.770 1.00 0.00 C ATOM 1202 CG ASN A 514 93.175 -13.693 18.084 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.356 -14.720 18.737 1.00 0.00 O ATOM 1204 ND2 ASN A 514 91.982 -13.338 17.621 1.00 0.00 N ATOM 0 H ASN A 514 95.984 -10.948 17.562 1.00 0.00 H new ATOM 0 HA ASN A 514 93.215 -10.990 17.251 1.00 0.00 H new ATOM 0 HB2 ASN A 514 94.637 -12.902 16.735 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.181 -13.014 18.397 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.169 -13.926 17.803 1.00 0.00 H new ATOM 0 HD22 ASN A 514 91.879 -12.477 17.084 1.00 0.00 H new ATOM 1211 N LYS A 515 94.203 -10.763 20.345 1.00 0.00 N ATOM 1212 CA LYS A 515 93.750 -10.560 21.716 1.00 0.00 C ATOM 1213 C LYS A 515 92.615 -9.542 21.761 1.00 0.00 C ATOM 1214 O LYS A 515 91.766 -9.578 22.653 1.00 0.00 O ATOM 1215 CB LYS A 515 94.908 -10.092 22.600 1.00 0.00 C ATOM 1216 CG LYS A 515 95.194 -8.605 22.495 1.00 0.00 C ATOM 1217 CD LYS A 515 96.472 -8.232 23.229 1.00 0.00 C ATOM 1218 CE LYS A 515 96.512 -8.837 24.624 1.00 0.00 C ATOM 1219 NZ LYS A 515 97.283 -10.111 24.658 1.00 0.00 N ATOM 0 H LYS A 515 95.202 -10.615 20.204 1.00 0.00 H new ATOM 0 HA LYS A 515 93.381 -11.512 22.096 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.683 -10.337 23.638 1.00 0.00 H new ATOM 0 HB3 LYS A 515 95.807 -10.646 22.329 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.280 -8.323 21.446 1.00 0.00 H new ATOM 0 HG3 LYS A 515 94.357 -8.042 22.909 1.00 0.00 H new ATOM 0 HD2 LYS A 515 97.334 -8.576 22.658 1.00 0.00 H new ATOM 0 HD3 LYS A 515 96.548 -7.147 23.300 1.00 0.00 H new ATOM 0 HE2 LYS A 515 96.960 -8.124 25.316 1.00 0.00 H new ATOM 0 HE3 LYS A 515 95.494 -9.020 24.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 97.132 -10.584 25.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 96.960 -10.733 23.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 98.296 -9.907 24.537 1.00 0.00 H new ATOM 1233 N LYS A 516 92.605 -8.639 20.786 1.00 0.00 N ATOM 1234 CA LYS A 516 91.573 -7.613 20.701 1.00 0.00 C ATOM 1235 C LYS A 516 90.674 -7.864 19.497 1.00 0.00 C ATOM 1236 O LYS A 516 89.448 -7.821 19.600 1.00 0.00 O ATOM 1237 CB LYS A 516 92.212 -6.226 20.595 1.00 0.00 C ATOM 1238 CG LYS A 516 91.494 -5.157 21.402 1.00 0.00 C ATOM 1239 CD LYS A 516 89.993 -5.391 21.427 1.00 0.00 C ATOM 1240 CE LYS A 516 89.567 -6.135 22.683 1.00 0.00 C ATOM 1241 NZ LYS A 516 88.513 -5.400 23.436 1.00 0.00 N ATOM 0 H LYS A 516 93.302 -8.597 20.042 1.00 0.00 H new ATOM 0 HA LYS A 516 90.968 -7.655 21.607 1.00 0.00 H new ATOM 0 HB2 LYS A 516 93.248 -6.287 20.930 1.00 0.00 H new ATOM 0 HB3 LYS A 516 92.233 -5.925 19.548 1.00 0.00 H new ATOM 0 HG2 LYS A 516 91.879 -5.150 22.422 1.00 0.00 H new ATOM 0 HG3 LYS A 516 91.703 -4.176 20.975 1.00 0.00 H new ATOM 0 HD2 LYS A 516 89.473 -4.434 21.375 1.00 0.00 H new ATOM 0 HD3 LYS A 516 89.698 -5.962 20.547 1.00 0.00 H new ATOM 0 HE2 LYS A 516 89.196 -7.123 22.411 1.00 0.00 H new ATOM 0 HE3 LYS A 516 90.434 -6.286 23.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 88.251 -5.941 24.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 88.875 -4.467 23.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 87.676 -5.278 22.831 1.00 0.00 H new ATOM 1255 N HIS A 517 91.300 -8.133 18.356 1.00 0.00 N ATOM 1256 CA HIS A 517 90.569 -8.400 17.124 1.00 0.00 C ATOM 1257 C HIS A 517 91.423 -9.224 16.164 1.00 0.00 C ATOM 1258 O HIS A 517 92.575 -8.886 15.900 1.00 0.00 O ATOM 1259 CB HIS A 517 90.156 -7.090 16.453 1.00 0.00 C ATOM 1260 CG HIS A 517 90.028 -5.941 17.403 1.00 0.00 C ATOM 1261 ND1 HIS A 517 90.939 -5.027 17.816 1.00 0.00 N flip ATOM 1262 CD2 HIS A 517 88.851 -5.623 18.047 1.00 0.00 C flip ATOM 1263 CE1 HIS A 517 90.299 -4.182 18.689 1.00 0.00 C flip ATOM 1264 NE2 HIS A 517 89.040 -4.562 18.812 1.00 0.00 N flip ATOM 0 H HIS A 517 92.315 -8.172 18.260 1.00 0.00 H new ATOM 0 HA HIS A 517 89.673 -8.967 17.376 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.890 -6.837 15.688 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.203 -7.237 15.945 1.00 0.00 H new ATOM 0 HD2 HIS A 517 87.919 -6.158 17.942 1.00 0.00 H new ATOM 0 HE1 HIS A 517 90.752 -3.342 19.194 1.00 0.00 H new ATOM 0 HE2 HIS A 517 88.335 -4.114 19.397 1.00 0.00 H new ATOM 1273 N CYS A 518 90.853 -10.308 15.647 1.00 0.00 N ATOM 1274 CA CYS A 518 91.570 -11.176 14.719 1.00 0.00 C ATOM 1275 C CYS A 518 92.119 -10.383 13.538 1.00 0.00 C ATOM 1276 O CYS A 518 91.363 -9.774 12.782 1.00 0.00 O ATOM 1277 CB CYS A 518 90.650 -12.288 14.213 1.00 0.00 C ATOM 1278 SG CYS A 518 91.478 -13.515 13.175 1.00 0.00 S ATOM 0 H CYS A 518 89.900 -10.606 15.854 1.00 0.00 H new ATOM 0 HA CYS A 518 92.408 -11.620 15.256 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.204 -12.794 15.069 1.00 0.00 H new ATOM 0 HB3 CYS A 518 89.834 -11.840 13.647 1.00 0.00 H new ATOM 0 HG CYS A 518 92.723 -13.618 13.534 1.00 0.00 H new ATOM 1284 N TRP A 519 93.439 -10.397 13.382 1.00 0.00 N ATOM 1285 CA TRP A 519 94.084 -9.680 12.289 1.00 0.00 C ATOM 1286 C TRP A 519 95.232 -10.483 11.701 1.00 0.00 C ATOM 1287 O TRP A 519 95.952 -11.183 12.412 1.00 0.00 O ATOM 1288 CB TRP A 519 94.584 -8.319 12.758 1.00 0.00 C ATOM 1289 CG TRP A 519 94.333 -7.242 11.755 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.779 -7.400 10.520 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.620 -5.846 11.892 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.700 -6.197 9.881 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.209 -5.221 10.700 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.181 -5.064 12.906 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.343 -3.849 10.498 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.313 -3.705 12.700 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.896 -3.110 11.506 1.00 0.00 C ATOM 0 H TRP A 519 94.081 -10.896 13.997 1.00 0.00 H new ATOM 0 HA TRP A 519 93.338 -9.532 11.508 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.094 -8.059 13.696 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.653 -8.379 12.963 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.450 -8.342 10.107 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.323 -6.047 8.945 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.505 -5.514 13.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 94.021 -3.386 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.746 -3.091 13.475 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.013 -2.044 11.377 1.00 0.00 H new ATOM 1308 N LYS A 520 95.382 -10.376 10.390 1.00 0.00 N ATOM 1309 CA LYS A 520 96.424 -11.088 9.672 1.00 0.00 C ATOM 1310 C LYS A 520 97.508 -10.135 9.179 1.00 0.00 C ATOM 1311 O LYS A 520 97.213 -9.107 8.569 1.00 0.00 O ATOM 1312 CB LYS A 520 95.804 -11.822 8.489 1.00 0.00 C ATOM 1313 CG LYS A 520 94.394 -12.323 8.763 1.00 0.00 C ATOM 1314 CD LYS A 520 94.396 -13.496 9.730 1.00 0.00 C ATOM 1315 CE LYS A 520 93.144 -13.512 10.594 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.029 -14.258 9.947 1.00 0.00 N ATOM 0 H LYS A 520 94.788 -9.796 9.798 1.00 0.00 H new ATOM 0 HA LYS A 520 96.890 -11.801 10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.784 -11.155 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.437 -12.668 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.793 -11.512 9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.925 -12.624 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.465 -14.429 9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.278 -13.441 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.374 -13.967 11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.828 -12.488 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.272 -14.421 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.656 -13.703 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.380 -15.172 9.597 1.00 0.00 H new ATOM 1330 N LEU A 521 98.763 -10.489 9.437 1.00 0.00 N ATOM 1331 CA LEU A 521 99.889 -9.670 9.007 1.00 0.00 C ATOM 1332 C LEU A 521 100.913 -10.519 8.260 1.00 0.00 C ATOM 1333 O LEU A 521 101.529 -11.415 8.837 1.00 0.00 O ATOM 1334 CB LEU A 521 100.549 -8.991 10.211 1.00 0.00 C ATOM 1335 CG LEU A 521 100.747 -7.479 10.076 1.00 0.00 C ATOM 1336 CD1 LEU A 521 101.620 -6.954 11.205 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.360 -7.140 8.726 1.00 0.00 C ATOM 0 H LEU A 521 99.025 -11.336 9.941 1.00 0.00 H new ATOM 0 HA LEU A 521 99.513 -8.900 8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 521 99.942 -9.185 11.095 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.520 -9.455 10.383 1.00 0.00 H new ATOM 0 HG LEU A 521 99.772 -6.996 10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 521 101.751 -5.878 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 521 101.143 -7.165 12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 521 102.593 -7.443 11.170 1.00 0.00 H new ATOM 0 HD21 LEU A 521 101.494 -6.061 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 521 102.327 -7.633 8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 521 100.699 -7.483 7.930 1.00 0.00 H new ATOM 1349 N GLU A 522 101.085 -10.237 6.971 1.00 0.00 N ATOM 1350 CA GLU A 522 102.030 -10.984 6.147 1.00 0.00 C ATOM 1351 C GLU A 522 102.893 -10.046 5.306 1.00 0.00 C ATOM 1352 O GLU A 522 102.410 -9.046 4.784 1.00 0.00 O ATOM 1353 CB GLU A 522 101.275 -11.952 5.233 1.00 0.00 C ATOM 1354 CG GLU A 522 102.168 -12.986 4.571 1.00 0.00 C ATOM 1355 CD GLU A 522 101.735 -14.406 4.874 1.00 0.00 C ATOM 1356 OE1 GLU A 522 101.628 -15.210 3.924 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.504 -14.715 6.062 1.00 0.00 O ATOM 0 H GLU A 522 100.584 -9.499 6.476 1.00 0.00 H new ATOM 0 HA GLU A 522 102.686 -11.546 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.509 -12.465 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.760 -11.381 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 522 102.161 -12.830 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 522 103.195 -12.843 4.907 1.00 0.00 H new ATOM 1364 N ILE A 523 104.174 -10.382 5.180 1.00 0.00 N ATOM 1365 CA ILE A 523 105.106 -9.573 4.402 1.00 0.00 C ATOM 1366 C ILE A 523 105.281 -10.141 2.995 1.00 0.00 C ATOM 1367 O ILE A 523 105.704 -11.284 2.827 1.00 0.00 O ATOM 1368 CB ILE A 523 106.483 -9.487 5.087 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.359 -8.784 6.439 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.478 -8.758 4.196 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.257 -9.368 7.507 1.00 0.00 C ATOM 0 H ILE A 523 104.590 -11.210 5.607 1.00 0.00 H new ATOM 0 HA ILE A 523 104.681 -8.572 4.337 1.00 0.00 H new ATOM 0 HB ILE A 523 106.851 -10.499 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.596 -7.728 6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.324 -8.840 6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.445 -8.707 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.585 -9.296 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.118 -7.748 3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.117 -8.821 8.439 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.005 -10.417 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.297 -9.287 7.192 1.00 0.00 H new ATOM 1383 N LEU A 524 104.952 -9.335 1.988 1.00 0.00 N ATOM 1384 CA LEU A 524 105.071 -9.764 0.598 1.00 0.00 C ATOM 1385 C LEU A 524 106.531 -10.012 0.225 1.00 0.00 C ATOM 1386 O LEU A 524 107.429 -9.313 0.693 1.00 0.00 O ATOM 1387 CB LEU A 524 104.457 -8.721 -0.336 1.00 0.00 C ATOM 1388 CG LEU A 524 103.007 -8.995 -0.738 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.957 -9.883 -1.971 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.247 -9.636 0.414 1.00 0.00 C ATOM 0 H LEU A 524 104.602 -8.384 2.109 1.00 0.00 H new ATOM 0 HA LEU A 524 104.526 -10.701 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.507 -7.746 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.064 -8.660 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 524 102.529 -8.045 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.918 -10.068 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.466 -9.387 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.451 -10.831 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.217 -9.824 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.723 -10.578 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.255 -8.965 1.273 1.00 0.00 H new ATOM 1402 N SER A 525 106.758 -11.025 -0.604 1.00 0.00 N ATOM 1403 CA SER A 525 108.108 -11.385 -1.026 1.00 0.00 C ATOM 1404 C SER A 525 108.115 -11.960 -2.438 1.00 0.00 C ATOM 1405 O SER A 525 107.079 -12.376 -2.958 1.00 0.00 O ATOM 1406 CB SER A 525 108.721 -12.388 -0.048 1.00 0.00 C ATOM 1407 OG SER A 525 110.082 -12.086 0.206 1.00 0.00 O ATOM 0 H SER A 525 106.023 -11.613 -0.998 1.00 0.00 H new ATOM 0 HA SER A 525 108.709 -10.476 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.162 -12.377 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.639 -13.395 -0.456 1.00 0.00 H new ATOM 0 HG SER A 525 110.450 -12.741 0.835 1.00 0.00 H new ATOM 1413 N GLY A 526 109.295 -11.986 -3.048 1.00 0.00 N ATOM 1414 CA GLY A 526 109.431 -12.521 -4.389 1.00 0.00 C ATOM 1415 C GLY A 526 108.483 -11.878 -5.379 1.00 0.00 C ATOM 1416 O GLY A 526 107.898 -10.830 -5.102 1.00 0.00 O ATOM 0 H GLY A 526 110.163 -11.644 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.456 -12.377 -4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.250 -13.596 -4.366 1.00 0.00 H new ATOM 1420 N ASP A 527 108.335 -12.508 -6.540 1.00 0.00 N ATOM 1421 CA ASP A 527 107.455 -11.993 -7.581 1.00 0.00 C ATOM 1422 C ASP A 527 106.184 -11.408 -6.978 1.00 0.00 C ATOM 1423 O ASP A 527 105.592 -10.483 -7.534 1.00 0.00 O ATOM 1424 CB ASP A 527 107.097 -13.104 -8.571 1.00 0.00 C ATOM 1425 CG ASP A 527 108.277 -14.004 -8.880 1.00 0.00 C ATOM 1426 OD1 ASP A 527 109.076 -13.650 -9.771 1.00 0.00 O ATOM 1427 OD2 ASP A 527 108.401 -15.063 -8.229 1.00 0.00 O ATOM 0 H ASP A 527 108.813 -13.376 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 527 107.984 -11.200 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.284 -13.703 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 527 106.731 -12.659 -9.496 1.00 0.00 H new ATOM 1432 N HIS A 528 105.763 -11.951 -5.841 1.00 0.00 N ATOM 1433 CA HIS A 528 104.559 -11.468 -5.176 1.00 0.00 C ATOM 1434 C HIS A 528 104.736 -10.025 -4.709 1.00 0.00 C ATOM 1435 O HIS A 528 103.867 -9.179 -4.929 1.00 0.00 O ATOM 1436 CB HIS A 528 104.217 -12.367 -3.988 1.00 0.00 C ATOM 1437 CG HIS A 528 102.750 -12.622 -3.834 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.133 -12.745 -2.607 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.776 -12.778 -4.761 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.842 -12.969 -2.787 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.602 -12.992 -4.084 1.00 0.00 N ATOM 0 H HIS A 528 106.233 -12.720 -5.364 1.00 0.00 H new ATOM 0 HA HIS A 528 103.738 -11.497 -5.893 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.733 -13.320 -4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.596 -11.908 -3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.900 -12.741 -5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.110 -13.109 -2.006 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.690 -13.144 -4.514 1.00 0.00 H new ATOM 1450 N GLU A 529 105.873 -9.747 -4.073 1.00 0.00 N ATOM 1451 CA GLU A 529 106.165 -8.403 -3.586 1.00 0.00 C ATOM 1452 C GLU A 529 106.364 -7.441 -4.754 1.00 0.00 C ATOM 1453 O GLU A 529 105.822 -6.334 -4.766 1.00 0.00 O ATOM 1454 CB GLU A 529 107.412 -8.422 -2.698 1.00 0.00 C ATOM 1455 CG GLU A 529 108.146 -7.091 -2.636 1.00 0.00 C ATOM 1456 CD GLU A 529 108.717 -6.805 -1.261 1.00 0.00 C ATOM 1457 OE1 GLU A 529 109.299 -7.729 -0.657 1.00 0.00 O ATOM 1458 OE2 GLU A 529 108.581 -5.657 -0.789 1.00 0.00 O ATOM 0 H GLU A 529 106.604 -10.433 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 529 105.317 -8.058 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.122 -8.713 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 529 108.096 -9.186 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.954 -7.091 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.462 -6.290 -2.916 1.00 0.00 H new ATOM 1465 N GLN A 530 107.138 -7.880 -5.740 1.00 0.00 N ATOM 1466 CA GLN A 530 107.403 -7.065 -6.921 1.00 0.00 C ATOM 1467 C GLN A 530 106.111 -6.804 -7.688 1.00 0.00 C ATOM 1468 O GLN A 530 105.890 -5.707 -8.204 1.00 0.00 O ATOM 1469 CB GLN A 530 108.434 -7.748 -7.828 1.00 0.00 C ATOM 1470 CG GLN A 530 107.822 -8.681 -8.863 1.00 0.00 C ATOM 1471 CD GLN A 530 107.261 -7.937 -10.059 1.00 0.00 C ATOM 1472 OE1 GLN A 530 107.654 -6.807 -10.344 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.333 -8.573 -10.767 1.00 0.00 N ATOM 0 H GLN A 530 107.592 -8.793 -5.746 1.00 0.00 H new ATOM 0 HA GLN A 530 107.812 -6.109 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.015 -6.982 -8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 530 109.130 -8.314 -7.209 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.579 -9.388 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 530 107.027 -9.264 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.037 -9.510 -10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 530 105.917 -8.124 -11.583 1.00 0.00 H new ATOM 1482 N ARG A 531 105.261 -7.821 -7.752 1.00 0.00 N ATOM 1483 CA ARG A 531 103.985 -7.717 -8.447 1.00 0.00 C ATOM 1484 C ARG A 531 103.158 -6.565 -7.884 1.00 0.00 C ATOM 1485 O ARG A 531 102.747 -5.662 -8.618 1.00 0.00 O ATOM 1486 CB ARG A 531 103.213 -9.030 -8.320 1.00 0.00 C ATOM 1487 CG ARG A 531 101.767 -8.938 -8.777 1.00 0.00 C ATOM 1488 CD ARG A 531 100.849 -9.733 -7.866 1.00 0.00 C ATOM 1489 NE ARG A 531 100.027 -10.680 -8.612 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.877 -10.354 -9.193 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.419 -9.114 -9.105 1.00 0.00 N ATOM 1492 NH2 ARG A 531 98.186 -11.269 -9.860 1.00 0.00 N ATOM 0 H ARG A 531 105.434 -8.732 -7.328 1.00 0.00 H new ATOM 0 HA ARG A 531 104.179 -7.518 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.721 -9.797 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.236 -9.355 -7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.454 -7.894 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.682 -9.311 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.446 -10.272 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.204 -9.049 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 531 100.352 -11.643 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 531 98.949 -8.410 -8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 531 97.536 -8.863 -9.551 1.00 0.00 H new ATOM 0 HH21 ARG A 531 98.537 -12.224 -9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.304 -11.017 -10.305 1.00 0.00 H new ATOM 1506 N TYR A 532 102.926 -6.594 -6.577 1.00 0.00 N ATOM 1507 CA TYR A 532 102.160 -5.543 -5.922 1.00 0.00 C ATOM 1508 C TYR A 532 102.761 -4.181 -6.246 1.00 0.00 C ATOM 1509 O TYR A 532 102.046 -3.212 -6.521 1.00 0.00 O ATOM 1510 CB TYR A 532 102.136 -5.761 -4.408 1.00 0.00 C ATOM 1511 CG TYR A 532 101.370 -4.695 -3.660 1.00 0.00 C ATOM 1512 CD1 TYR A 532 101.939 -3.456 -3.405 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.076 -4.928 -3.214 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.240 -2.477 -2.728 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.370 -3.954 -2.534 1.00 0.00 C ATOM 1516 CZ TYR A 532 99.957 -2.730 -2.294 1.00 0.00 C ATOM 1517 OH TYR A 532 99.258 -1.756 -1.619 1.00 0.00 O ATOM 0 H TYR A 532 103.256 -7.330 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 532 101.135 -5.577 -6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.692 -6.734 -4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.160 -5.790 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 532 102.945 -3.254 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.614 -5.886 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.697 -1.517 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.364 -4.151 -2.193 1.00 0.00 H new ATOM 0 HH TYR A 532 99.349 -0.902 -2.091 1.00 0.00 H new ATOM 1527 N TRP A 533 104.087 -4.114 -6.219 1.00 0.00 N ATOM 1528 CA TRP A 533 104.783 -2.875 -6.517 1.00 0.00 C ATOM 1529 C TRP A 533 104.468 -2.415 -7.932 1.00 0.00 C ATOM 1530 O TRP A 533 104.319 -1.220 -8.186 1.00 0.00 O ATOM 1531 CB TRP A 533 106.287 -3.047 -6.324 1.00 0.00 C ATOM 1532 CG TRP A 533 106.715 -2.704 -4.936 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.207 -3.555 -3.993 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.664 -1.410 -4.326 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.468 -2.872 -2.832 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.144 -1.550 -3.012 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.261 -0.148 -4.766 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.231 -0.471 -2.133 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.348 0.921 -3.894 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.829 0.753 -2.591 1.00 0.00 C ATOM 0 H TRP A 533 104.696 -4.901 -5.995 1.00 0.00 H new ATOM 0 HA TRP A 533 104.437 -2.108 -5.825 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.565 -4.077 -6.545 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.819 -2.414 -7.034 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.368 -4.613 -4.138 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.842 -3.280 -1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 533 105.888 -0.009 -5.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.602 -0.598 -1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.040 1.902 -4.224 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.884 1.608 -1.933 1.00 0.00 H new ATOM 1551 N GLN A 534 104.336 -3.369 -8.849 1.00 0.00 N ATOM 1552 CA GLN A 534 104.002 -3.036 -10.224 1.00 0.00 C ATOM 1553 C GLN A 534 102.705 -2.242 -10.236 1.00 0.00 C ATOM 1554 O GLN A 534 102.555 -1.283 -10.992 1.00 0.00 O ATOM 1555 CB GLN A 534 103.861 -4.299 -11.076 1.00 0.00 C ATOM 1556 CG GLN A 534 105.191 -4.952 -11.421 1.00 0.00 C ATOM 1557 CD GLN A 534 105.949 -4.200 -12.498 1.00 0.00 C ATOM 1558 OE1 GLN A 534 106.814 -3.375 -12.202 1.00 0.00 O ATOM 1559 NE2 GLN A 534 105.628 -4.482 -13.754 1.00 0.00 N ATOM 0 H GLN A 534 104.454 -4.365 -8.666 1.00 0.00 H new ATOM 0 HA GLN A 534 104.806 -2.437 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.239 -5.019 -10.544 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.339 -4.048 -11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 534 105.806 -5.011 -10.523 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.014 -5.975 -11.754 1.00 0.00 H new ATOM 0 HE21 GLN A 534 104.905 -5.173 -13.953 1.00 0.00 H new ATOM 0 HE22 GLN A 534 106.105 -4.008 -14.521 1.00 0.00 H new ATOM 1568 N LYS A 535 101.775 -2.641 -9.368 1.00 0.00 N ATOM 1569 CA LYS A 535 100.494 -1.951 -9.259 1.00 0.00 C ATOM 1570 C LYS A 535 100.725 -0.515 -8.812 1.00 0.00 C ATOM 1571 O LYS A 535 100.088 0.414 -9.309 1.00 0.00 O ATOM 1572 CB LYS A 535 99.556 -2.632 -8.251 1.00 0.00 C ATOM 1573 CG LYS A 535 99.771 -4.126 -8.068 1.00 0.00 C ATOM 1574 CD LYS A 535 98.871 -4.679 -6.972 1.00 0.00 C ATOM 1575 CE LYS A 535 98.775 -3.721 -5.793 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.695 -2.712 -5.981 1.00 0.00 N ATOM 0 H LYS A 535 101.885 -3.433 -8.735 1.00 0.00 H new ATOM 0 HA LYS A 535 100.023 -1.982 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.674 -2.144 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 535 98.527 -2.466 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 535 99.567 -4.643 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 535 100.814 -4.318 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 535 97.875 -4.862 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.259 -5.639 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.588 -4.287 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.729 -3.211 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 98.108 -1.758 -5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.212 -2.885 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.009 -2.788 -5.203 1.00 0.00 H new ATOM 1590 N ILE A 536 101.646 -0.345 -7.867 1.00 0.00 N ATOM 1591 CA ILE A 536 101.969 0.976 -7.345 1.00 0.00 C ATOM 1592 C ILE A 536 102.577 1.861 -8.429 1.00 0.00 C ATOM 1593 O ILE A 536 101.970 2.844 -8.854 1.00 0.00 O ATOM 1594 CB ILE A 536 102.944 0.890 -6.152 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.295 0.140 -4.986 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.375 2.283 -5.719 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.177 0.045 -3.759 1.00 0.00 C ATOM 0 H ILE A 536 102.181 -1.106 -7.448 1.00 0.00 H new ATOM 0 HA ILE A 536 101.034 1.419 -7.003 1.00 0.00 H new ATOM 0 HB ILE A 536 103.830 0.338 -6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.365 0.640 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.033 -0.866 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.062 2.206 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.873 2.784 -6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.499 2.859 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.651 -0.499 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.097 -0.482 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.418 1.048 -3.406 1.00 0.00 H new ATOM 1609 N LEU A 537 103.776 1.502 -8.877 1.00 0.00 N ATOM 1610 CA LEU A 537 104.464 2.262 -9.916 1.00 0.00 C ATOM 1611 C LEU A 537 103.502 2.653 -11.033 1.00 0.00 C ATOM 1612 O LEU A 537 103.255 3.837 -11.270 1.00 0.00 O ATOM 1613 CB LEU A 537 105.622 1.444 -10.494 1.00 0.00 C ATOM 1614 CG LEU A 537 106.999 1.764 -9.909 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.181 1.075 -8.566 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.098 1.348 -10.875 1.00 0.00 C ATOM 0 H LEU A 537 104.291 0.690 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 537 104.858 3.172 -9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.414 0.386 -10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.656 1.603 -11.572 1.00 0.00 H new ATOM 0 HG LEU A 537 107.066 2.841 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.166 1.314 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 537 106.414 1.420 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.094 -0.004 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 537 109.071 1.583 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.033 0.276 -11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.979 1.887 -11.815 1.00 0.00 H new ATOM 1628 N VAL A 538 102.962 1.649 -11.717 1.00 0.00 N ATOM 1629 CA VAL A 538 102.027 1.889 -12.810 1.00 0.00 C ATOM 1630 C VAL A 538 100.874 2.778 -12.361 1.00 0.00 C ATOM 1631 O VAL A 538 100.417 3.643 -13.110 1.00 0.00 O ATOM 1632 CB VAL A 538 101.457 0.566 -13.360 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.469 0.833 -14.484 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.579 -0.344 -13.835 1.00 0.00 C ATOM 0 H VAL A 538 103.155 0.664 -11.534 1.00 0.00 H new ATOM 0 HA VAL A 538 102.584 2.393 -13.600 1.00 0.00 H new ATOM 0 HB VAL A 538 100.926 0.061 -12.553 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.079 -0.114 -14.858 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.646 1.442 -14.108 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.972 1.363 -15.293 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.156 -1.272 -14.219 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.141 0.154 -14.625 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.245 -0.566 -13.001 1.00 0.00 H new ATOM 1644 N ASP A 539 100.408 2.566 -11.134 1.00 0.00 N ATOM 1645 CA ASP A 539 99.309 3.355 -10.591 1.00 0.00 C ATOM 1646 C ASP A 539 99.711 4.820 -10.459 1.00 0.00 C ATOM 1647 O ASP A 539 98.909 5.719 -10.714 1.00 0.00 O ATOM 1648 CB ASP A 539 98.880 2.803 -9.230 1.00 0.00 C ATOM 1649 CG ASP A 539 97.788 3.635 -8.587 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.342 3.273 -7.478 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.379 4.649 -9.191 1.00 0.00 O ATOM 0 H ASP A 539 100.773 1.856 -10.499 1.00 0.00 H new ATOM 0 HA ASP A 539 98.467 3.288 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.529 1.778 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.744 2.767 -8.567 1.00 0.00 H new ATOM 1656 N ARG A 540 100.961 5.054 -10.069 1.00 0.00 N ATOM 1657 CA ARG A 540 101.467 6.412 -9.916 1.00 0.00 C ATOM 1658 C ARG A 540 101.444 7.144 -11.253 1.00 0.00 C ATOM 1659 O ARG A 540 101.092 8.322 -11.323 1.00 0.00 O ATOM 1660 CB ARG A 540 102.893 6.390 -9.359 1.00 0.00 C ATOM 1661 CG ARG A 540 103.364 7.735 -8.830 1.00 0.00 C ATOM 1662 CD ARG A 540 103.685 7.667 -7.347 1.00 0.00 C ATOM 1663 NE ARG A 540 102.827 8.547 -6.562 1.00 0.00 N ATOM 1664 CZ ARG A 540 102.784 9.866 -6.719 1.00 0.00 C ATOM 1665 NH1 ARG A 540 103.551 10.451 -7.628 1.00 0.00 N ATOM 1666 NH2 ARG A 540 101.975 10.601 -5.970 1.00 0.00 N ATOM 0 H ARG A 540 101.639 4.323 -9.854 1.00 0.00 H new ATOM 0 HA ARG A 540 100.821 6.941 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 540 102.949 5.654 -8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.574 6.059 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 540 104.249 8.054 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 540 102.593 8.486 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.569 6.641 -6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 540 104.728 7.942 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 540 102.226 8.127 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 540 104.175 9.889 -8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 540 103.518 11.463 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 540 101.382 10.155 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 540 101.945 11.613 -6.093 1.00 0.00 H new ATOM 1680 N GLN A 541 101.820 6.434 -12.312 1.00 0.00 N ATOM 1681 CA GLN A 541 101.841 7.009 -13.653 1.00 0.00 C ATOM 1682 C GLN A 541 100.439 7.411 -14.104 1.00 0.00 C ATOM 1683 O GLN A 541 100.246 8.475 -14.693 1.00 0.00 O ATOM 1684 CB GLN A 541 102.434 6.011 -14.650 1.00 0.00 C ATOM 1685 CG GLN A 541 103.744 5.392 -14.190 1.00 0.00 C ATOM 1686 CD GLN A 541 104.132 4.179 -15.013 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.586 3.127 -14.342 1.00 0.00 O flip ATOM 1688 NE2 GLN A 541 104.024 4.187 -16.240 1.00 0.00 N flip ATOM 0 H GLN A 541 102.115 5.458 -12.268 1.00 0.00 H new ATOM 0 HA GLN A 541 102.464 7.903 -13.621 1.00 0.00 H new ATOM 0 HB2 GLN A 541 101.710 5.216 -14.829 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.596 6.515 -15.603 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.536 6.138 -14.252 1.00 0.00 H new ATOM 0 HG3 GLN A 541 103.658 5.104 -13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 541 103.670 5.017 -16.715 1.00 0.00 H new ATOM 0 HE22 GLN A 541 104.288 3.363 -16.781 1.00 0.00 H new ATOM 1697 N ALA A 542 99.466 6.546 -13.835 1.00 0.00 N ATOM 1698 CA ALA A 542 98.084 6.801 -14.223 1.00 0.00 C ATOM 1699 C ALA A 542 97.517 8.029 -13.518 1.00 0.00 C ATOM 1700 O ALA A 542 96.743 8.787 -14.103 1.00 0.00 O ATOM 1701 CB ALA A 542 97.210 5.587 -13.948 1.00 0.00 C ATOM 0 H ALA A 542 99.610 5.661 -13.349 1.00 0.00 H new ATOM 0 HA ALA A 542 98.082 6.999 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.184 5.802 -14.246 1.00 0.00 H new ATOM 0 HB2 ALA A 542 97.582 4.735 -14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.237 5.353 -12.884 1.00 0.00 H new ATOM 1707 N LYS A 543 97.899 8.222 -12.260 1.00 0.00 N ATOM 1708 CA LYS A 543 97.415 9.359 -11.485 1.00 0.00 C ATOM 1709 C LYS A 543 97.748 10.679 -12.175 1.00 0.00 C ATOM 1710 O LYS A 543 96.966 11.629 -12.129 1.00 0.00 O ATOM 1711 CB LYS A 543 98.011 9.338 -10.078 1.00 0.00 C ATOM 1712 CG LYS A 543 97.034 8.865 -9.015 1.00 0.00 C ATOM 1713 CD LYS A 543 97.537 7.615 -8.314 1.00 0.00 C ATOM 1714 CE LYS A 543 98.747 7.914 -7.444 1.00 0.00 C ATOM 1715 NZ LYS A 543 98.360 8.515 -6.137 1.00 0.00 N ATOM 0 H LYS A 543 98.540 7.608 -11.757 1.00 0.00 H new ATOM 0 HA LYS A 543 96.331 9.276 -11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 543 98.886 8.688 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 543 98.357 10.340 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 543 96.880 9.657 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 543 96.066 8.662 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 543 96.740 7.195 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 543 97.798 6.860 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 543 99.304 6.994 -7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 543 99.414 8.595 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 99.214 8.703 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 97.851 9.407 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 97.744 7.855 -5.620 1.00 0.00 H new ATOM 1729 N LEU A 544 98.912 10.735 -12.814 1.00 0.00 N ATOM 1730 CA LEU A 544 99.344 11.941 -13.512 1.00 0.00 C ATOM 1731 C LEU A 544 98.316 12.356 -14.562 1.00 0.00 C ATOM 1732 O LEU A 544 98.247 13.523 -14.948 1.00 0.00 O ATOM 1733 CB LEU A 544 100.714 11.711 -14.163 1.00 0.00 C ATOM 1734 CG LEU A 544 100.922 12.378 -15.526 1.00 0.00 C ATOM 1735 CD1 LEU A 544 101.118 13.878 -15.364 1.00 0.00 C ATOM 1736 CD2 LEU A 544 102.111 11.758 -16.246 1.00 0.00 C ATOM 0 H LEU A 544 99.573 9.960 -12.863 1.00 0.00 H new ATOM 0 HA LEU A 544 99.432 12.749 -12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.485 12.071 -13.481 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.866 10.638 -14.277 1.00 0.00 H new ATOM 0 HG LEU A 544 100.029 12.213 -16.129 1.00 0.00 H new ATOM 0 HD11 LEU A 544 101.264 14.334 -16.343 1.00 0.00 H new ATOM 0 HD12 LEU A 544 100.237 14.311 -14.890 1.00 0.00 H new ATOM 0 HD13 LEU A 544 101.993 14.065 -14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 544 102.245 12.244 -17.213 1.00 0.00 H new ATOM 0 HD22 LEU A 544 103.011 11.892 -15.645 1.00 0.00 H new ATOM 0 HD23 LEU A 544 101.931 10.694 -16.397 1.00 0.00 H new ATOM 1748 N ASN A 545 97.522 11.394 -15.023 1.00 0.00 N ATOM 1749 CA ASN A 545 96.504 11.664 -16.030 1.00 0.00 C ATOM 1750 C ASN A 545 95.124 11.225 -15.552 1.00 0.00 C ATOM 1751 O ASN A 545 94.530 10.299 -16.106 1.00 0.00 O ATOM 1752 CB ASN A 545 96.853 10.950 -17.337 1.00 0.00 C ATOM 1753 CG ASN A 545 98.195 11.385 -17.889 1.00 0.00 C ATOM 1754 OD1 ASN A 545 99.099 10.570 -18.070 1.00 0.00 O ATOM 1755 ND2 ASN A 545 98.331 12.678 -18.161 1.00 0.00 N ATOM 0 H ASN A 545 97.565 10.422 -14.715 1.00 0.00 H new ATOM 0 HA ASN A 545 96.479 12.740 -16.202 1.00 0.00 H new ATOM 0 HB2 ASN A 545 96.864 9.873 -17.169 1.00 0.00 H new ATOM 0 HB3 ASN A 545 96.077 11.149 -18.076 1.00 0.00 H new ATOM 0 HD21 ASN A 545 99.212 13.030 -18.536 1.00 0.00 H new ATOM 0 HD22 ASN A 545 97.555 13.318 -17.995 1.00 0.00 H new ATOM 1762 N GLN A 546 94.615 11.897 -14.524 1.00 0.00 N ATOM 1763 CA GLN A 546 93.302 11.574 -13.979 1.00 0.00 C ATOM 1764 C GLN A 546 92.329 11.213 -15.095 1.00 0.00 C ATOM 1765 O GLN A 546 92.105 11.998 -16.017 1.00 0.00 O ATOM 1766 CB GLN A 546 92.757 12.758 -13.178 1.00 0.00 C ATOM 1767 CG GLN A 546 91.556 12.408 -12.315 1.00 0.00 C ATOM 1768 CD GLN A 546 90.954 13.623 -11.637 1.00 0.00 C ATOM 1769 OE1 GLN A 546 89.939 14.158 -12.081 1.00 0.00 O ATOM 1770 NE2 GLN A 546 91.582 14.067 -10.553 1.00 0.00 N ATOM 0 H GLN A 546 95.091 12.667 -14.053 1.00 0.00 H new ATOM 0 HA GLN A 546 93.409 10.714 -13.318 1.00 0.00 H new ATOM 0 HB2 GLN A 546 93.550 13.150 -12.541 1.00 0.00 H new ATOM 0 HB3 GLN A 546 92.478 13.555 -13.868 1.00 0.00 H new ATOM 0 HG2 GLN A 546 90.797 11.927 -12.932 1.00 0.00 H new ATOM 0 HG3 GLN A 546 91.856 11.684 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 546 92.421 13.593 -10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 546 91.225 14.882 -10.055 1.00 0.00 H new ATOM 1779 N PRO A 547 91.738 10.011 -15.028 1.00 0.00 N ATOM 1780 CA PRO A 547 90.790 9.537 -16.035 1.00 0.00 C ATOM 1781 C PRO A 547 89.380 10.072 -15.807 1.00 0.00 C ATOM 1782 O PRO A 547 89.162 10.940 -14.962 1.00 0.00 O ATOM 1783 CB PRO A 547 90.824 8.026 -15.836 1.00 0.00 C ATOM 1784 CG PRO A 547 91.086 7.851 -14.380 1.00 0.00 C ATOM 1785 CD PRO A 547 91.956 9.011 -13.964 1.00 0.00 C ATOM 0 HA PRO A 547 91.053 9.865 -17.041 1.00 0.00 H new ATOM 0 HB2 PRO A 547 89.880 7.565 -16.128 1.00 0.00 H new ATOM 0 HB3 PRO A 547 91.605 7.563 -16.439 1.00 0.00 H new ATOM 0 HG2 PRO A 547 90.154 7.842 -13.815 1.00 0.00 H new ATOM 0 HG3 PRO A 547 91.585 6.902 -14.186 1.00 0.00 H new ATOM 0 HD2 PRO A 547 91.668 9.397 -12.986 1.00 0.00 H new ATOM 0 HD3 PRO A 547 93.004 8.721 -13.896 1.00 0.00 H new ATOM 1793 N ARG A 548 88.426 9.543 -16.566 1.00 0.00 N ATOM 1794 CA ARG A 548 87.035 9.962 -16.446 1.00 0.00 C ATOM 1795 C ARG A 548 86.432 9.456 -15.141 1.00 0.00 C ATOM 1796 O ARG A 548 85.476 8.681 -15.147 1.00 0.00 O ATOM 1797 CB ARG A 548 86.221 9.441 -17.633 1.00 0.00 C ATOM 1798 CG ARG A 548 86.384 7.949 -17.871 1.00 0.00 C ATOM 1799 CD ARG A 548 87.405 7.670 -18.962 1.00 0.00 C ATOM 1800 NE ARG A 548 88.367 6.646 -18.561 1.00 0.00 N ATOM 1801 CZ ARG A 548 88.087 5.348 -18.528 1.00 0.00 C ATOM 1802 NH1 ARG A 548 86.880 4.919 -18.869 1.00 0.00 N ATOM 1803 NH2 ARG A 548 89.016 4.476 -18.155 1.00 0.00 N ATOM 0 H ARG A 548 88.591 8.824 -17.270 1.00 0.00 H new ATOM 0 HA ARG A 548 87.005 11.052 -16.444 1.00 0.00 H new ATOM 0 HB2 ARG A 548 85.167 9.661 -17.465 1.00 0.00 H new ATOM 0 HB3 ARG A 548 86.520 9.979 -18.533 1.00 0.00 H new ATOM 0 HG2 ARG A 548 86.695 7.463 -16.946 1.00 0.00 H new ATOM 0 HG3 ARG A 548 85.423 7.516 -18.150 1.00 0.00 H new ATOM 0 HD2 ARG A 548 86.890 7.349 -19.867 1.00 0.00 H new ATOM 0 HD3 ARG A 548 87.936 8.590 -19.206 1.00 0.00 H new ATOM 0 HE ARG A 548 89.305 6.944 -18.292 1.00 0.00 H new ATOM 0 HH11 ARG A 548 86.164 5.586 -19.157 1.00 0.00 H new ATOM 0 HH12 ARG A 548 86.667 3.922 -18.843 1.00 0.00 H new ATOM 0 HH21 ARG A 548 89.946 4.803 -17.893 1.00 0.00 H new ATOM 0 HH22 ARG A 548 88.800 3.480 -18.130 1.00 0.00 H new ATOM 1817 N GLU A 549 87.001 9.896 -14.025 1.00 0.00 N ATOM 1818 CA GLU A 549 86.522 9.487 -12.710 1.00 0.00 C ATOM 1819 C GLU A 549 86.547 7.968 -12.573 1.00 0.00 C ATOM 1820 O GLU A 549 86.615 7.245 -13.568 1.00 0.00 O ATOM 1821 CB GLU A 549 85.103 10.008 -12.474 1.00 0.00 C ATOM 1822 CG GLU A 549 84.874 11.412 -13.013 1.00 0.00 C ATOM 1823 CD GLU A 549 84.734 12.444 -11.911 1.00 0.00 C ATOM 1824 OE1 GLU A 549 83.601 12.916 -11.680 1.00 0.00 O ATOM 1825 OE2 GLU A 549 85.758 12.782 -11.280 1.00 0.00 O ATOM 0 H GLU A 549 87.795 10.536 -14.004 1.00 0.00 H new ATOM 0 HA GLU A 549 87.187 9.915 -11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 549 84.392 9.327 -12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 549 84.895 10.000 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 549 85.706 11.688 -13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 549 83.974 11.419 -13.628 1.00 0.00 H new ATOM 1832 N LYS A 550 86.488 7.491 -11.334 1.00 0.00 N ATOM 1833 CA LYS A 550 86.501 6.058 -11.064 1.00 0.00 C ATOM 1834 C LYS A 550 85.193 5.412 -11.499 1.00 0.00 C ATOM 1835 O LYS A 550 85.156 4.641 -12.458 1.00 0.00 O ATOM 1836 CB LYS A 550 86.739 5.802 -9.576 1.00 0.00 C ATOM 1837 CG LYS A 550 88.031 5.057 -9.284 1.00 0.00 C ATOM 1838 CD LYS A 550 87.891 4.160 -8.066 1.00 0.00 C ATOM 1839 CE LYS A 550 88.992 3.116 -8.011 1.00 0.00 C ATOM 1840 NZ LYS A 550 89.761 3.193 -6.739 1.00 0.00 N ATOM 0 H LYS A 550 86.431 8.076 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 550 87.314 5.612 -11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 550 86.753 6.756 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 550 85.902 5.230 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 550 88.310 4.456 -10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 550 88.836 5.773 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 550 87.919 4.767 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 550 86.920 3.665 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 550 88.556 2.122 -8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 550 89.668 3.256 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 90.504 2.465 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 90.197 4.133 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 89.120 3.035 -5.936 1.00 0.00 H new ATOM 1854 N LYS A 551 84.122 5.736 -10.788 1.00 0.00 N ATOM 1855 CA LYS A 551 82.805 5.193 -11.094 1.00 0.00 C ATOM 1856 C LYS A 551 81.704 6.149 -10.639 1.00 0.00 C ATOM 1857 O LYS A 551 80.572 5.734 -10.395 1.00 0.00 O ATOM 1858 CB LYS A 551 82.625 3.828 -10.427 1.00 0.00 C ATOM 1859 CG LYS A 551 83.916 3.034 -10.309 1.00 0.00 C ATOM 1860 CD LYS A 551 83.736 1.802 -9.438 1.00 0.00 C ATOM 1861 CE LYS A 551 84.445 1.957 -8.102 1.00 0.00 C ATOM 1862 NZ LYS A 551 85.837 1.429 -8.144 1.00 0.00 N ATOM 0 H LYS A 551 84.139 6.374 -9.993 1.00 0.00 H new ATOM 0 HA LYS A 551 82.730 5.071 -12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 551 82.204 3.972 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 551 81.901 3.246 -10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 551 84.251 2.733 -11.302 1.00 0.00 H new ATOM 0 HG3 LYS A 551 84.697 3.668 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 551 82.674 1.626 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 551 84.125 0.927 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 551 84.465 3.010 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 551 83.882 1.433 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 86.349 1.732 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 85.813 0.390 -8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 86.322 1.796 -8.988 1.00 0.00 H new ATOM 1876 N ARG A 552 82.048 7.430 -10.529 1.00 0.00 N ATOM 1877 CA ARG A 552 81.090 8.446 -10.105 1.00 0.00 C ATOM 1878 C ARG A 552 81.744 9.822 -10.029 1.00 0.00 C ATOM 1879 O ARG A 552 81.496 10.687 -10.869 1.00 0.00 O ATOM 1880 CB ARG A 552 80.491 8.081 -8.745 1.00 0.00 C ATOM 1881 CG ARG A 552 79.013 7.733 -8.806 1.00 0.00 C ATOM 1882 CD ARG A 552 78.695 6.508 -7.964 1.00 0.00 C ATOM 1883 NE ARG A 552 78.416 5.336 -8.789 1.00 0.00 N ATOM 1884 CZ ARG A 552 78.494 4.087 -8.344 1.00 0.00 C ATOM 1885 NH1 ARG A 552 78.830 3.852 -7.083 1.00 0.00 N ATOM 1886 NH2 ARG A 552 78.235 3.073 -9.157 1.00 0.00 N ATOM 0 H ARG A 552 82.982 7.788 -10.728 1.00 0.00 H new ATOM 0 HA ARG A 552 80.294 8.483 -10.849 1.00 0.00 H new ATOM 0 HB2 ARG A 552 81.039 7.234 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 552 80.631 8.917 -8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 552 78.424 8.580 -8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 552 78.723 7.550 -9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 552 79.535 6.294 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 552 77.834 6.718 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 552 78.146 5.485 -9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 552 79.029 4.630 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 552 78.890 2.893 -6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 552 77.975 3.251 -10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 552 78.296 2.115 -8.813 1.00 0.00 H new ATOM 1900 N GLY A 553 82.574 10.016 -9.012 1.00 0.00 N ATOM 1901 CA GLY A 553 83.250 11.288 -8.836 1.00 0.00 C ATOM 1902 C GLY A 553 82.749 12.042 -7.617 1.00 0.00 C ATOM 1903 O GLY A 553 83.509 12.759 -6.967 1.00 0.00 O ATOM 0 H GLY A 553 82.792 9.314 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 553 84.322 11.117 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 553 83.104 11.901 -9.725 1.00 0.00 H new ATOM 1907 N THR A 554 81.466 11.876 -7.309 1.00 0.00 N ATOM 1908 CA THR A 554 80.860 12.542 -6.161 1.00 0.00 C ATOM 1909 C THR A 554 79.864 11.624 -5.457 1.00 0.00 C ATOM 1910 O THR A 554 78.732 11.457 -5.909 1.00 0.00 O ATOM 1911 CB THR A 554 80.139 13.837 -6.583 1.00 0.00 C ATOM 1912 OG1 THR A 554 79.017 13.558 -7.428 1.00 0.00 O ATOM 1913 CG2 THR A 554 81.083 14.766 -7.331 1.00 0.00 C ATOM 0 H THR A 554 80.825 11.285 -7.839 1.00 0.00 H new ATOM 0 HA THR A 554 81.668 12.791 -5.474 1.00 0.00 H new ATOM 0 HB THR A 554 79.794 14.318 -5.668 1.00 0.00 H new ATOM 0 HG1 THR A 554 78.587 12.727 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 554 80.550 15.672 -7.618 1.00 0.00 H new ATOM 0 HG22 THR A 554 81.923 15.027 -6.687 1.00 0.00 H new ATOM 0 HG23 THR A 554 81.454 14.265 -8.225 1.00 0.00 H new ATOM 1921 N GLU A 555 80.296 11.027 -4.348 1.00 0.00 N ATOM 1922 CA GLU A 555 79.444 10.122 -3.583 1.00 0.00 C ATOM 1923 C GLU A 555 78.602 10.889 -2.568 1.00 0.00 C ATOM 1924 O GLU A 555 78.742 12.103 -2.419 1.00 0.00 O ATOM 1925 CB GLU A 555 80.295 9.072 -2.864 1.00 0.00 C ATOM 1926 CG GLU A 555 79.757 7.655 -2.995 1.00 0.00 C ATOM 1927 CD GLU A 555 79.573 6.975 -1.653 1.00 0.00 C ATOM 1928 OE1 GLU A 555 80.535 6.338 -1.174 1.00 0.00 O ATOM 1929 OE2 GLU A 555 78.469 7.082 -1.080 1.00 0.00 O ATOM 0 H GLU A 555 81.231 11.154 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 555 78.772 9.623 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 555 81.309 9.104 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 555 80.359 9.331 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 555 78.802 7.680 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 555 80.441 7.066 -3.606 1.00 0.00 H new ATOM 1936 N LYS A 556 77.726 10.171 -1.870 1.00 0.00 N ATOM 1937 CA LYS A 556 76.859 10.782 -0.868 1.00 0.00 C ATOM 1938 C LYS A 556 77.289 10.385 0.540 1.00 0.00 C ATOM 1939 O LYS A 556 77.425 9.201 0.848 1.00 0.00 O ATOM 1940 CB LYS A 556 75.405 10.372 -1.104 1.00 0.00 C ATOM 1941 CG LYS A 556 74.556 11.470 -1.724 1.00 0.00 C ATOM 1942 CD LYS A 556 75.143 11.951 -3.041 1.00 0.00 C ATOM 1943 CE LYS A 556 74.286 13.039 -3.667 1.00 0.00 C ATOM 1944 NZ LYS A 556 75.032 14.320 -3.814 1.00 0.00 N ATOM 0 H LYS A 556 77.598 9.165 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 556 76.944 11.865 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 556 75.384 9.497 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 556 74.961 10.074 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 556 73.544 11.100 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 556 74.480 12.308 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 556 76.151 12.331 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 556 75.229 11.111 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 556 73.937 12.708 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 556 73.401 13.203 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 74.412 15.035 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 75.343 14.650 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 75.862 14.170 -4.422 1.00 0.00 H new ATOM 1958 N LEU A 557 77.500 11.383 1.392 1.00 0.00 N ATOM 1959 CA LEU A 557 77.912 11.138 2.769 1.00 0.00 C ATOM 1960 C LEU A 557 76.700 10.971 3.678 1.00 0.00 C ATOM 1961 O LEU A 557 76.797 11.132 4.894 1.00 0.00 O ATOM 1962 CB LEU A 557 78.785 12.290 3.271 1.00 0.00 C ATOM 1963 CG LEU A 557 80.186 12.353 2.661 1.00 0.00 C ATOM 1964 CD1 LEU A 557 81.112 13.178 3.540 1.00 0.00 C ATOM 1965 CD2 LEU A 557 80.745 10.952 2.462 1.00 0.00 C ATOM 0 H LEU A 557 77.392 12.369 1.153 1.00 0.00 H new ATOM 0 HA LEU A 557 78.490 10.214 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 557 78.273 13.230 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 557 78.880 12.209 4.354 1.00 0.00 H new ATOM 0 HG LEU A 557 80.116 12.836 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 557 82.105 13.212 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 557 80.720 14.191 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 557 81.176 12.723 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 557 81.742 11.017 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 557 80.801 10.443 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 557 80.093 10.392 1.792 1.00 0.00 H new ATOM 1977 N ILE A 558 75.557 10.648 3.080 1.00 0.00 N ATOM 1978 CA ILE A 558 74.326 10.462 3.839 1.00 0.00 C ATOM 1979 C ILE A 558 73.970 11.721 4.623 1.00 0.00 C ATOM 1980 O ILE A 558 74.773 12.218 5.413 1.00 0.00 O ATOM 1981 CB ILE A 558 74.447 9.282 4.822 1.00 0.00 C ATOM 1982 CG1 ILE A 558 74.849 8.007 4.079 1.00 0.00 C ATOM 1983 CG2 ILE A 558 73.137 9.079 5.567 1.00 0.00 C ATOM 1984 CD1 ILE A 558 74.862 6.775 4.957 1.00 0.00 C ATOM 0 H ILE A 558 75.458 10.510 2.074 1.00 0.00 H new ATOM 0 HA ILE A 558 73.538 10.248 3.117 1.00 0.00 H new ATOM 0 HB ILE A 558 75.225 9.513 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 558 74.159 7.846 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 558 75.840 8.145 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 558 73.237 8.242 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 558 72.892 9.983 6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 558 72.341 8.867 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 558 75.156 5.909 4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 558 75.573 6.916 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 558 73.866 6.612 5.369 1.00 0.00 H new ATOM 1996 N THR A 559 72.766 12.234 4.400 1.00 0.00 N ATOM 1997 CA THR A 559 72.312 13.435 5.090 1.00 0.00 C ATOM 1998 C THR A 559 70.862 13.759 4.748 1.00 0.00 C ATOM 1999 O THR A 559 70.574 14.776 4.117 1.00 0.00 O ATOM 2000 CB THR A 559 73.193 14.650 4.739 1.00 0.00 C ATOM 2001 OG1 THR A 559 72.835 15.798 5.519 1.00 0.00 O ATOM 2002 CG2 THR A 559 73.065 15.006 3.267 1.00 0.00 C ATOM 0 H THR A 559 72.088 11.838 3.749 1.00 0.00 H new ATOM 0 HA THR A 559 72.390 13.231 6.158 1.00 0.00 H new ATOM 0 HB THR A 559 74.222 14.369 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 559 71.923 16.076 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 559 73.696 15.866 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 559 73.380 14.158 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 559 72.027 15.249 3.040 1.00 0.00 H new ATOM 2010 N LYS A 560 69.950 12.889 5.171 1.00 0.00 N ATOM 2011 CA LYS A 560 68.530 13.085 4.912 1.00 0.00 C ATOM 2012 C LYS A 560 68.117 14.525 5.200 1.00 0.00 C ATOM 2013 O LYS A 560 68.617 15.148 6.137 1.00 0.00 O ATOM 2014 CB LYS A 560 67.698 12.124 5.762 1.00 0.00 C ATOM 2015 CG LYS A 560 66.826 11.186 4.943 1.00 0.00 C ATOM 2016 CD LYS A 560 65.355 11.356 5.279 1.00 0.00 C ATOM 2017 CE LYS A 560 64.513 11.522 4.024 1.00 0.00 C ATOM 2018 NZ LYS A 560 64.162 10.210 3.415 1.00 0.00 N ATOM 0 H LYS A 560 70.170 12.042 5.695 1.00 0.00 H new ATOM 0 HA LYS A 560 68.347 12.878 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 560 68.367 11.532 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 560 67.064 12.702 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 560 66.982 11.377 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 560 67.126 10.155 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 560 65.006 10.489 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 560 65.226 12.226 5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 560 63.600 12.065 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 560 65.058 12.125 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 63.588 10.366 2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 65.033 9.702 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 63.620 9.644 4.099 1.00 0.00 H new ATOM 2032 N ALA A 561 67.206 15.048 4.387 1.00 0.00 N ATOM 2033 CA ALA A 561 66.727 16.415 4.555 1.00 0.00 C ATOM 2034 C ALA A 561 65.583 16.474 5.560 1.00 0.00 C ATOM 2035 O ALA A 561 64.883 15.452 5.720 1.00 0.00 O ATOM 2036 CB ALA A 561 66.287 17.004 3.224 1.00 0.00 C ATOM 2037 OXT ALA A 561 65.397 17.542 6.182 1.00 0.00 O ATOM 0 H ALA A 561 66.784 14.546 3.605 1.00 0.00 H new ATOM 0 HA ALA A 561 67.555 17.010 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 561 65.934 18.024 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 561 67.130 17.011 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 561 65.481 16.400 2.807 1.00 0.00 H new TER 2043 ALA A 561