USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=22 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 494 HIS : no HD1:sc= -2.15 K(o=-4,f=-6.1!) USER MOD Set 1.2: A 532 TYR OH : rot 79:sc= -1.88! USER MOD Set 1.3: A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 462 THR OG1 : rot 120:sc= -0.608 USER MOD Set 2.2: A 518 CYS SG : rot 180:sc= -0.505 USER MOD Set 2.3: A 520 LYS NZ :NH3+ 158:sc= -4.04! (180deg=-4.42!) USER MOD Set 3.1: A 441 HIS : no HD1:sc= -0.339 X(o=-0.54,f=-0.46) USER MOD Set 3.2: A 443 HIS : no HD1:sc= -0.197 X(o=-0.54,f=-0.2) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 439 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= -2.61! C(o=-2.6!,f=-5.6!) USER MOD Single : A 447 THR OG1 : rot -4:sc= 0.638 USER MOD Single : A 450 GLN : amide:sc= -3.46 K(o=-3.5,f=-12!) USER MOD Single : A 453 SER OG : rot 74:sc= 0.099 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 130:sc= -2.83! USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.78) USER MOD Single : A 474 THR OG1 : rot 56:sc= -1.28 USER MOD Single : A 479 SER OG : rot 100:sc= -0.818 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 493 CYS SG : rot -50:sc= -8.36! USER MOD Single : A 498 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0154) USER MOD Single : A 499 THR OG1 : rot 160:sc= -1.77! USER MOD Single : A 504 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.64) USER MOD Single : A 510 TYR OH : rot 66:sc= 0.23 USER MOD Single : A 511 THR OG1 : rot -89:sc= 0.16 USER MOD Single : A 514 ASN : amide:sc= -2.3 K(o=-2.3,f=-0.27) USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-4.3!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.25) USER MOD Single : A 530 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.046) USER MOD Single : A 534 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 541 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.2) USER MOD Single : A 543 LYS NZ :NH3+ -159:sc= -0.0438 (180deg=-0.789) USER MOD Single : A 545 ASN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 546 GLN : amide:sc= -0.395 X(o=-0.4,f=0) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= -1.32! USER MOD Single : A 560 LYS NZ :NH3+ -167:sc= -0.719 (180deg=-1.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 123.296 16.839 19.421 1.00 0.00 N ATOM 2 CA MET A 437 121.930 16.900 18.840 1.00 0.00 C ATOM 3 C MET A 437 121.752 15.857 17.740 1.00 0.00 C ATOM 4 O MET A 437 120.894 15.999 16.869 1.00 0.00 O ATOM 5 CB MET A 437 121.701 18.304 18.279 1.00 0.00 C ATOM 6 CG MET A 437 120.351 18.894 18.655 1.00 0.00 C ATOM 7 SD MET A 437 118.969 17.900 18.056 1.00 0.00 S ATOM 8 CE MET A 437 117.638 18.518 19.083 1.00 0.00 C ATOM 0 HA MET A 437 121.199 16.683 19.619 1.00 0.00 H new ATOM 0 HB2 MET A 437 122.490 18.964 18.639 1.00 0.00 H new ATOM 0 HB3 MET A 437 121.784 18.271 17.193 1.00 0.00 H new ATOM 0 HG2 MET A 437 120.287 18.983 19.739 1.00 0.00 H new ATOM 0 HG3 MET A 437 120.273 19.902 18.247 1.00 0.00 H new ATOM 0 HE1 MET A 437 116.713 17.999 18.831 1.00 0.00 H new ATOM 0 HE2 MET A 437 117.877 18.344 20.132 1.00 0.00 H new ATOM 0 HE3 MET A 437 117.512 19.587 18.912 1.00 0.00 H new ATOM 20 N HIS A 438 122.567 14.810 17.790 1.00 0.00 N ATOM 21 CA HIS A 438 122.502 13.739 16.801 1.00 0.00 C ATOM 22 C HIS A 438 122.538 12.376 17.482 1.00 0.00 C ATOM 23 O HIS A 438 123.608 11.812 17.711 1.00 0.00 O ATOM 24 CB HIS A 438 123.661 13.861 15.810 1.00 0.00 C ATOM 25 CG HIS A 438 124.841 14.601 16.357 1.00 0.00 C ATOM 26 ND1 HIS A 438 125.194 15.868 15.943 1.00 0.00 N ATOM 27 CD2 HIS A 438 125.753 14.246 17.293 1.00 0.00 C ATOM 28 CE1 HIS A 438 126.271 16.260 16.600 1.00 0.00 C ATOM 29 NE2 HIS A 438 126.630 15.294 17.425 1.00 0.00 N ATOM 0 H HIS A 438 123.282 14.679 18.506 1.00 0.00 H new ATOM 0 HA HIS A 438 121.561 13.831 16.258 1.00 0.00 H new ATOM 0 HB2 HIS A 438 123.977 12.862 15.508 1.00 0.00 H new ATOM 0 HB3 HIS A 438 123.309 14.369 14.912 1.00 0.00 H new ATOM 0 HD2 HIS A 438 125.785 13.312 17.835 1.00 0.00 H new ATOM 0 HE1 HIS A 438 126.772 17.209 16.482 1.00 0.00 H new ATOM 0 HE2 HIS A 438 127.429 15.322 18.058 1.00 0.00 H new ATOM 38 N HIS A 439 121.360 11.853 17.813 1.00 0.00 N ATOM 39 CA HIS A 439 121.257 10.557 18.475 1.00 0.00 C ATOM 40 C HIS A 439 121.132 9.426 17.461 1.00 0.00 C ATOM 41 O HIS A 439 120.779 8.300 17.814 1.00 0.00 O ATOM 42 CB HIS A 439 120.054 10.540 19.421 1.00 0.00 C ATOM 43 CG HIS A 439 120.419 10.262 20.847 1.00 0.00 C ATOM 44 ND1 HIS A 439 119.718 9.383 21.647 1.00 0.00 N ATOM 45 CD2 HIS A 439 121.419 10.752 21.618 1.00 0.00 C ATOM 46 CE1 HIS A 439 120.270 9.346 22.847 1.00 0.00 C ATOM 47 NE2 HIS A 439 121.304 10.167 22.855 1.00 0.00 N ATOM 0 H HIS A 439 120.464 12.307 17.633 1.00 0.00 H new ATOM 0 HA HIS A 439 122.171 10.402 19.049 1.00 0.00 H new ATOM 0 HB2 HIS A 439 119.545 11.502 19.366 1.00 0.00 H new ATOM 0 HB3 HIS A 439 119.346 9.784 19.082 1.00 0.00 H new ATOM 0 HD2 HIS A 439 122.168 11.469 21.316 1.00 0.00 H new ATOM 0 HE1 HIS A 439 119.933 8.746 23.679 1.00 0.00 H new ATOM 0 HE2 HIS A 439 121.918 10.339 23.651 1.00 0.00 H new ATOM 56 N HIS A 440 121.421 9.729 16.200 1.00 0.00 N ATOM 57 CA HIS A 440 121.338 8.732 15.140 1.00 0.00 C ATOM 58 C HIS A 440 122.297 9.061 14.001 1.00 0.00 C ATOM 59 O HIS A 440 122.599 10.227 13.747 1.00 0.00 O ATOM 60 CB HIS A 440 119.906 8.633 14.610 1.00 0.00 C ATOM 61 CG HIS A 440 119.180 9.941 14.593 1.00 0.00 C ATOM 62 ND1 HIS A 440 118.058 10.187 15.355 1.00 0.00 N ATOM 63 CD2 HIS A 440 119.417 11.078 13.897 1.00 0.00 C ATOM 64 CE1 HIS A 440 117.635 11.418 15.127 1.00 0.00 C ATOM 65 NE2 HIS A 440 118.443 11.980 14.247 1.00 0.00 N ATOM 0 H HIS A 440 121.714 10.655 15.888 1.00 0.00 H new ATOM 0 HA HIS A 440 121.626 7.769 15.562 1.00 0.00 H new ATOM 0 HB2 HIS A 440 119.929 8.227 13.599 1.00 0.00 H new ATOM 0 HB3 HIS A 440 119.349 7.926 15.224 1.00 0.00 H new ATOM 0 HD2 HIS A 440 120.222 11.244 13.197 1.00 0.00 H new ATOM 0 HE1 HIS A 440 116.775 11.885 15.583 1.00 0.00 H new ATOM 0 HE2 HIS A 440 118.357 12.930 13.886 1.00 0.00 H new ATOM 74 N HIS A 441 122.774 8.024 13.321 1.00 0.00 N ATOM 75 CA HIS A 441 123.703 8.194 12.209 1.00 0.00 C ATOM 76 C HIS A 441 122.971 8.162 10.872 1.00 0.00 C ATOM 77 O HIS A 441 121.746 8.041 10.826 1.00 0.00 O ATOM 78 CB HIS A 441 124.769 7.098 12.243 1.00 0.00 C ATOM 79 CG HIS A 441 124.199 5.724 12.402 1.00 0.00 C ATOM 80 ND1 HIS A 441 123.612 5.027 11.366 1.00 0.00 N ATOM 81 CD2 HIS A 441 124.125 4.915 13.486 1.00 0.00 C ATOM 82 CE1 HIS A 441 123.200 3.850 11.805 1.00 0.00 C ATOM 83 NE2 HIS A 441 123.500 3.759 13.088 1.00 0.00 N ATOM 0 H HIS A 441 122.532 7.054 13.521 1.00 0.00 H new ATOM 0 HA HIS A 441 124.182 9.168 12.314 1.00 0.00 H new ATOM 0 HB2 HIS A 441 125.351 7.138 11.322 1.00 0.00 H new ATOM 0 HB3 HIS A 441 125.458 7.296 13.065 1.00 0.00 H new ATOM 0 HD2 HIS A 441 124.489 5.138 14.478 1.00 0.00 H new ATOM 0 HE1 HIS A 441 122.704 3.093 11.216 1.00 0.00 H new ATOM 0 HE2 HIS A 441 123.300 2.958 13.687 1.00 0.00 H new ATOM 92 N HIS A 442 123.730 8.266 9.786 1.00 0.00 N ATOM 93 CA HIS A 442 123.158 8.246 8.444 1.00 0.00 C ATOM 94 C HIS A 442 124.013 7.406 7.502 1.00 0.00 C ATOM 95 O HIS A 442 125.207 7.660 7.340 1.00 0.00 O ATOM 96 CB HIS A 442 123.027 9.669 7.898 1.00 0.00 C ATOM 97 CG HIS A 442 121.685 9.962 7.305 1.00 0.00 C ATOM 98 ND1 HIS A 442 121.408 9.818 5.962 1.00 0.00 N ATOM 99 CD2 HIS A 442 120.537 10.394 7.879 1.00 0.00 C ATOM 100 CE1 HIS A 442 120.149 10.150 5.735 1.00 0.00 C ATOM 101 NE2 HIS A 442 119.599 10.502 6.883 1.00 0.00 N ATOM 0 H HIS A 442 124.745 8.365 9.809 1.00 0.00 H new ATOM 0 HA HIS A 442 122.167 7.797 8.507 1.00 0.00 H new ATOM 0 HB2 HIS A 442 123.222 10.377 8.703 1.00 0.00 H new ATOM 0 HB3 HIS A 442 123.793 9.830 7.140 1.00 0.00 H new ATOM 0 HD2 HIS A 442 120.387 10.613 8.926 1.00 0.00 H new ATOM 0 HE1 HIS A 442 119.655 10.136 4.775 1.00 0.00 H new ATOM 0 HE2 HIS A 442 118.633 10.805 7.009 1.00 0.00 H new ATOM 110 N HIS A 443 123.397 6.404 6.885 1.00 0.00 N ATOM 111 CA HIS A 443 124.104 5.525 5.960 1.00 0.00 C ATOM 112 C HIS A 443 123.885 5.961 4.513 1.00 0.00 C ATOM 113 O HIS A 443 122.756 5.994 4.027 1.00 0.00 O ATOM 114 CB HIS A 443 123.642 4.079 6.146 1.00 0.00 C ATOM 115 CG HIS A 443 124.246 3.410 7.341 1.00 0.00 C ATOM 116 ND1 HIS A 443 123.512 2.664 8.240 1.00 0.00 N ATOM 117 CD2 HIS A 443 125.526 3.378 7.785 1.00 0.00 C ATOM 118 CE1 HIS A 443 124.314 2.203 9.185 1.00 0.00 C ATOM 119 NE2 HIS A 443 125.540 2.623 8.931 1.00 0.00 N ATOM 0 H HIS A 443 122.410 6.180 7.008 1.00 0.00 H new ATOM 0 HA HIS A 443 125.170 5.591 6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 443 122.556 4.062 6.240 1.00 0.00 H new ATOM 0 HB3 HIS A 443 123.894 3.507 5.253 1.00 0.00 H new ATOM 0 HD2 HIS A 443 126.377 3.857 7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 443 124.017 1.588 10.022 1.00 0.00 H new ATOM 0 HE2 HIS A 443 126.365 2.419 9.496 1.00 0.00 H new ATOM 128 N SER A 444 124.978 6.293 3.832 1.00 0.00 N ATOM 129 CA SER A 444 124.913 6.726 2.442 1.00 0.00 C ATOM 130 C SER A 444 125.909 5.953 1.586 1.00 0.00 C ATOM 131 O SER A 444 127.040 5.702 2.004 1.00 0.00 O ATOM 132 CB SER A 444 125.192 8.226 2.339 1.00 0.00 C ATOM 133 OG SER A 444 124.610 8.929 3.424 1.00 0.00 O ATOM 0 H SER A 444 125.920 6.270 4.222 1.00 0.00 H new ATOM 0 HA SER A 444 123.908 6.525 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 444 126.268 8.399 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 444 124.795 8.609 1.399 1.00 0.00 H new ATOM 0 HG SER A 444 124.804 9.886 3.336 1.00 0.00 H new ATOM 139 N ASN A 445 125.482 5.573 0.387 1.00 0.00 N ATOM 140 CA ASN A 445 126.335 4.823 -0.527 1.00 0.00 C ATOM 141 C ASN A 445 126.290 3.334 -0.203 1.00 0.00 C ATOM 142 O ASN A 445 127.325 2.675 -0.109 1.00 0.00 O ATOM 143 CB ASN A 445 127.777 5.332 -0.449 1.00 0.00 C ATOM 144 CG ASN A 445 127.855 6.846 -0.421 1.00 0.00 C ATOM 145 OD1 ASN A 445 126.843 7.534 -0.558 1.00 0.00 O ATOM 146 ND2 ASN A 445 129.060 7.375 -0.242 1.00 0.00 N ATOM 0 H ASN A 445 124.549 5.772 0.025 1.00 0.00 H new ATOM 0 HA ASN A 445 125.963 4.971 -1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 445 128.253 4.930 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 445 128.338 4.958 -1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 445 129.173 8.388 -0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 445 129.872 6.768 -0.133 1.00 0.00 H new ATOM 153 N ALA A 446 125.080 2.810 -0.032 1.00 0.00 N ATOM 154 CA ALA A 446 124.895 1.399 0.285 1.00 0.00 C ATOM 155 C ALA A 446 124.523 0.599 -0.959 1.00 0.00 C ATOM 156 O ALA A 446 125.233 -0.326 -1.349 1.00 0.00 O ATOM 157 CB ALA A 446 123.832 1.220 1.359 1.00 0.00 C ATOM 0 H ALA A 446 124.213 3.342 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 446 125.844 1.020 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 446 123.712 0.159 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 446 124.137 1.746 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 446 122.885 1.627 1.005 1.00 0.00 H new ATOM 163 N THR A 447 123.402 0.960 -1.578 1.00 0.00 N ATOM 164 CA THR A 447 122.938 0.271 -2.776 1.00 0.00 C ATOM 165 C THR A 447 122.787 -1.226 -2.522 1.00 0.00 C ATOM 166 O THR A 447 122.649 -1.660 -1.379 1.00 0.00 O ATOM 167 CB THR A 447 123.901 0.486 -3.959 1.00 0.00 C ATOM 168 OG1 THR A 447 125.122 -0.241 -3.776 1.00 0.00 O ATOM 169 CG2 THR A 447 124.238 1.961 -4.119 1.00 0.00 C ATOM 0 H THR A 447 122.800 1.724 -1.270 1.00 0.00 H new ATOM 0 HA THR A 447 121.967 0.695 -3.029 1.00 0.00 H new ATOM 0 HB THR A 447 123.394 0.122 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 447 125.114 -0.679 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 447 124.919 2.089 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 447 123.324 2.525 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 447 124.713 2.327 -3.209 1.00 0.00 H new ATOM 177 N GLY A 448 122.815 -2.012 -3.595 1.00 0.00 N ATOM 178 CA GLY A 448 122.683 -3.451 -3.462 1.00 0.00 C ATOM 179 C GLY A 448 121.422 -3.987 -4.112 1.00 0.00 C ATOM 180 O GLY A 448 121.478 -4.578 -5.190 1.00 0.00 O ATOM 0 H GLY A 448 122.927 -1.678 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 448 123.551 -3.934 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 448 122.682 -3.715 -2.405 1.00 0.00 H new ATOM 184 N PRO A 449 120.260 -3.794 -3.470 1.00 0.00 N ATOM 185 CA PRO A 449 118.975 -4.267 -3.992 1.00 0.00 C ATOM 186 C PRO A 449 118.457 -3.398 -5.136 1.00 0.00 C ATOM 187 O PRO A 449 119.135 -2.473 -5.581 1.00 0.00 O ATOM 188 CB PRO A 449 118.053 -4.163 -2.777 1.00 0.00 C ATOM 189 CG PRO A 449 118.618 -3.037 -1.982 1.00 0.00 C ATOM 190 CD PRO A 449 120.111 -3.099 -2.177 1.00 0.00 C ATOM 0 HA PRO A 449 119.043 -5.270 -4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 449 117.024 -3.963 -3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 449 118.044 -5.090 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 449 118.220 -2.081 -2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 449 118.358 -3.134 -0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 449 120.554 -2.104 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 449 120.599 -3.644 -1.369 1.00 0.00 H new ATOM 198 N GLN A 450 117.251 -3.701 -5.606 1.00 0.00 N ATOM 199 CA GLN A 450 116.643 -2.951 -6.693 1.00 0.00 C ATOM 200 C GLN A 450 115.674 -1.907 -6.146 1.00 0.00 C ATOM 201 O GLN A 450 115.903 -1.335 -5.080 1.00 0.00 O ATOM 202 CB GLN A 450 115.918 -3.906 -7.643 1.00 0.00 C ATOM 203 CG GLN A 450 116.592 -5.262 -7.766 1.00 0.00 C ATOM 204 CD GLN A 450 118.047 -5.153 -8.176 1.00 0.00 C ATOM 205 OE1 GLN A 450 118.770 -4.272 -7.712 1.00 0.00 O ATOM 206 NE2 GLN A 450 118.485 -6.053 -9.049 1.00 0.00 N ATOM 0 H GLN A 450 116.676 -4.464 -5.248 1.00 0.00 H new ATOM 0 HA GLN A 450 117.428 -2.433 -7.244 1.00 0.00 H new ATOM 0 HB2 GLN A 450 114.895 -4.047 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 450 115.857 -3.448 -8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 450 116.525 -5.785 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 450 116.056 -5.865 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 450 117.850 -6.766 -9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 450 119.456 -6.031 -9.360 1.00 0.00 H new ATOM 215 N PHE A 451 114.593 -1.663 -6.877 1.00 0.00 N ATOM 216 CA PHE A 451 113.593 -0.688 -6.457 1.00 0.00 C ATOM 217 C PHE A 451 113.124 -0.973 -5.035 1.00 0.00 C ATOM 218 O PHE A 451 112.417 -1.949 -4.789 1.00 0.00 O ATOM 219 CB PHE A 451 112.396 -0.708 -7.412 1.00 0.00 C ATOM 220 CG PHE A 451 111.598 -1.982 -7.353 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.514 -2.099 -6.496 1.00 0.00 C ATOM 222 CD2 PHE A 451 111.932 -3.061 -8.156 1.00 0.00 C ATOM 223 CE1 PHE A 451 109.780 -3.268 -6.441 1.00 0.00 C ATOM 224 CE2 PHE A 451 111.201 -4.233 -8.104 1.00 0.00 C ATOM 225 CZ PHE A 451 110.124 -4.337 -7.246 1.00 0.00 C ATOM 0 H PHE A 451 114.386 -2.126 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 451 114.052 0.300 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.742 0.132 -7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.753 -0.560 -8.431 1.00 0.00 H new ATOM 0 HD1 PHE A 451 110.241 -1.267 -5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 451 112.773 -2.985 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 451 108.938 -3.346 -5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 451 111.472 -5.067 -8.734 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.552 -5.252 -7.204 1.00 0.00 H new ATOM 235 N VAL A 452 113.518 -0.115 -4.099 1.00 0.00 N ATOM 236 CA VAL A 452 113.127 -0.285 -2.707 1.00 0.00 C ATOM 237 C VAL A 452 111.654 -0.664 -2.612 1.00 0.00 C ATOM 238 O VAL A 452 110.775 0.183 -2.764 1.00 0.00 O ATOM 239 CB VAL A 452 113.374 0.995 -1.888 1.00 0.00 C ATOM 240 CG1 VAL A 452 114.866 1.226 -1.698 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.721 2.194 -2.558 1.00 0.00 C ATOM 0 H VAL A 452 114.104 0.700 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 452 113.742 -1.085 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 452 112.921 0.869 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 452 115.022 2.135 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 452 115.301 0.378 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 452 115.345 1.331 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 452 112.907 3.089 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 452 113.141 2.327 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 452 111.647 2.027 -2.636 1.00 0.00 H new ATOM 251 N SER A 453 111.391 -1.946 -2.375 1.00 0.00 N ATOM 252 CA SER A 453 110.022 -2.446 -2.275 1.00 0.00 C ATOM 253 C SER A 453 109.314 -2.009 -0.985 1.00 0.00 C ATOM 254 O SER A 453 108.305 -2.602 -0.609 1.00 0.00 O ATOM 255 CB SER A 453 110.022 -3.973 -2.367 1.00 0.00 C ATOM 256 OG SER A 453 109.952 -4.562 -1.079 1.00 0.00 O ATOM 0 H SER A 453 112.109 -2.659 -2.248 1.00 0.00 H new ATOM 0 HA SER A 453 109.466 -2.012 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.175 -4.304 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 453 110.925 -4.310 -2.876 1.00 0.00 H new ATOM 0 HG SER A 453 109.043 -4.466 -0.724 1.00 0.00 H new ATOM 262 N GLY A 454 109.827 -0.974 -0.318 1.00 0.00 N ATOM 263 CA GLY A 454 109.206 -0.496 0.907 1.00 0.00 C ATOM 264 C GLY A 454 108.563 -1.605 1.719 1.00 0.00 C ATOM 265 O GLY A 454 107.568 -1.379 2.403 1.00 0.00 O ATOM 0 H GLY A 454 110.660 -0.460 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 454 109.958 0.004 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.450 0.249 0.658 1.00 0.00 H new ATOM 269 N VAL A 455 109.126 -2.805 1.635 1.00 0.00 N ATOM 270 CA VAL A 455 108.598 -3.954 2.360 1.00 0.00 C ATOM 271 C VAL A 455 107.078 -3.888 2.454 1.00 0.00 C ATOM 272 O VAL A 455 106.529 -3.377 3.430 1.00 0.00 O ATOM 273 CB VAL A 455 109.186 -4.051 3.782 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.587 -5.483 4.097 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.372 -3.109 3.946 1.00 0.00 C ATOM 0 H VAL A 455 109.951 -3.007 1.070 1.00 0.00 H new ATOM 0 HA VAL A 455 108.891 -4.841 1.798 1.00 0.00 H new ATOM 0 HB VAL A 455 108.415 -3.747 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.000 -5.532 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.711 -6.129 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.338 -5.817 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.769 -3.196 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.148 -3.373 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.049 -2.083 3.770 1.00 0.00 H new ATOM 285 N ILE A 456 106.401 -4.408 1.433 1.00 0.00 N ATOM 286 CA ILE A 456 104.945 -4.405 1.408 1.00 0.00 C ATOM 287 C ILE A 456 104.387 -5.255 2.542 1.00 0.00 C ATOM 288 O ILE A 456 104.727 -6.431 2.674 1.00 0.00 O ATOM 289 CB ILE A 456 104.401 -4.927 0.067 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.042 -4.172 -1.098 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.886 -4.793 0.020 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.961 -2.667 -0.957 1.00 0.00 C ATOM 0 H ILE A 456 106.838 -4.835 0.616 1.00 0.00 H new ATOM 0 HA ILE A 456 104.623 -3.371 1.534 1.00 0.00 H new ATOM 0 HB ILE A 456 104.656 -5.983 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.088 -4.466 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.554 -4.469 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.517 -5.167 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.444 -5.372 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.610 -3.744 0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.435 -2.195 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.916 -2.362 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.474 -2.359 -0.046 1.00 0.00 H new ATOM 304 N VAL A 457 103.518 -4.660 3.348 1.00 0.00 N ATOM 305 CA VAL A 457 102.900 -5.368 4.459 1.00 0.00 C ATOM 306 C VAL A 457 101.405 -5.548 4.216 1.00 0.00 C ATOM 307 O VAL A 457 100.624 -4.612 4.393 1.00 0.00 O ATOM 308 CB VAL A 457 103.131 -4.628 5.796 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.125 -5.069 6.847 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.552 -4.854 6.286 1.00 0.00 C ATOM 0 H VAL A 457 103.225 -3.688 3.252 1.00 0.00 H new ATOM 0 HA VAL A 457 103.370 -6.349 4.526 1.00 0.00 H new ATOM 0 HB VAL A 457 102.987 -3.561 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.311 -4.532 7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.115 -4.851 6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.226 -6.140 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.700 -4.327 7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.720 -5.920 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.257 -4.477 5.545 1.00 0.00 H new ATOM 320 N LYS A 458 101.009 -6.750 3.813 1.00 0.00 N ATOM 321 CA LYS A 458 99.605 -7.034 3.552 1.00 0.00 C ATOM 322 C LYS A 458 98.852 -7.305 4.850 1.00 0.00 C ATOM 323 O LYS A 458 99.146 -8.265 5.563 1.00 0.00 O ATOM 324 CB LYS A 458 99.466 -8.233 2.613 1.00 0.00 C ATOM 325 CG LYS A 458 98.033 -8.506 2.191 1.00 0.00 C ATOM 326 CD LYS A 458 97.966 -9.549 1.086 1.00 0.00 C ATOM 327 CE LYS A 458 96.533 -9.965 0.796 1.00 0.00 C ATOM 328 NZ LYS A 458 96.377 -10.501 -0.584 1.00 0.00 N ATOM 0 H LYS A 458 101.637 -7.539 3.661 1.00 0.00 H new ATOM 0 HA LYS A 458 99.170 -6.156 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.072 -8.061 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 458 99.867 -9.119 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.458 -8.849 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.571 -7.580 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.420 -9.149 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.548 -10.424 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.222 -10.722 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 458 95.873 -9.108 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.385 -10.773 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.649 -9.771 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.988 -11.334 -0.704 1.00 0.00 H new ATOM 342 N ILE A 459 97.865 -6.464 5.137 1.00 0.00 N ATOM 343 CA ILE A 459 97.049 -6.621 6.334 1.00 0.00 C ATOM 344 C ILE A 459 95.615 -6.983 5.970 1.00 0.00 C ATOM 345 O ILE A 459 94.951 -6.257 5.231 1.00 0.00 O ATOM 346 CB ILE A 459 97.035 -5.348 7.201 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.458 -4.830 7.420 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.357 -5.631 8.536 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.556 -3.778 8.504 1.00 0.00 C ATOM 0 H ILE A 459 97.611 -5.665 4.556 1.00 0.00 H new ATOM 0 HA ILE A 459 97.501 -7.428 6.910 1.00 0.00 H new ATOM 0 HB ILE A 459 96.469 -4.577 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.106 -5.668 7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.833 -4.413 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.353 -4.724 9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.331 -5.956 8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.902 -6.415 9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.592 -3.456 8.606 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.934 -2.923 8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.212 -4.197 9.450 1.00 0.00 H new ATOM 361 N ILE A 460 95.133 -8.094 6.511 1.00 0.00 N ATOM 362 CA ILE A 460 93.766 -8.526 6.256 1.00 0.00 C ATOM 363 C ILE A 460 93.068 -8.881 7.562 1.00 0.00 C ATOM 364 O ILE A 460 93.649 -9.532 8.430 1.00 0.00 O ATOM 365 CB ILE A 460 93.703 -9.723 5.282 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.280 -9.899 4.749 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.180 -10.998 5.957 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.396 -10.734 5.648 1.00 0.00 C ATOM 0 H ILE A 460 95.665 -8.709 7.126 1.00 0.00 H new ATOM 0 HA ILE A 460 93.250 -7.690 5.784 1.00 0.00 H new ATOM 0 HB ILE A 460 94.368 -9.516 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.826 -8.917 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.325 -10.364 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.126 -11.826 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.211 -10.871 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.546 -11.213 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.403 -10.816 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.827 -11.729 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.320 -10.260 6.626 1.00 0.00 H new ATOM 380 N SER A 461 91.830 -8.430 7.710 1.00 0.00 N ATOM 381 CA SER A 461 91.071 -8.688 8.925 1.00 0.00 C ATOM 382 C SER A 461 89.939 -9.678 8.677 1.00 0.00 C ATOM 383 O SER A 461 89.649 -10.039 7.536 1.00 0.00 O ATOM 384 CB SER A 461 90.506 -7.383 9.484 1.00 0.00 C ATOM 385 OG SER A 461 89.506 -6.852 8.632 1.00 0.00 O ATOM 0 H SER A 461 91.332 -7.885 7.006 1.00 0.00 H new ATOM 0 HA SER A 461 91.752 -9.128 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.087 -7.560 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.310 -6.657 9.603 1.00 0.00 H new ATOM 0 HG SER A 461 88.708 -6.638 9.158 1.00 0.00 H new ATOM 391 N THR A 462 89.304 -10.105 9.760 1.00 0.00 N ATOM 392 CA THR A 462 88.196 -11.049 9.680 1.00 0.00 C ATOM 393 C THR A 462 86.889 -10.382 10.088 1.00 0.00 C ATOM 394 O THR A 462 85.903 -11.053 10.394 1.00 0.00 O ATOM 395 CB THR A 462 88.436 -12.278 10.577 1.00 0.00 C ATOM 396 OG1 THR A 462 89.128 -11.920 11.781 1.00 0.00 O ATOM 397 CG2 THR A 462 89.255 -13.329 9.846 1.00 0.00 C ATOM 0 H THR A 462 89.538 -9.812 10.708 1.00 0.00 H new ATOM 0 HA THR A 462 88.130 -11.378 8.643 1.00 0.00 H new ATOM 0 HB THR A 462 87.456 -12.681 10.830 1.00 0.00 H new ATOM 0 HG1 THR A 462 88.575 -12.149 12.557 1.00 0.00 H new ATOM 0 HG21 THR A 462 89.412 -14.187 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.722 -13.647 8.950 1.00 0.00 H new ATOM 0 HG23 THR A 462 90.220 -12.907 9.564 1.00 0.00 H new ATOM 405 N GLU A 463 86.897 -9.053 10.092 1.00 0.00 N ATOM 406 CA GLU A 463 85.724 -8.273 10.462 1.00 0.00 C ATOM 407 C GLU A 463 86.144 -6.882 10.932 1.00 0.00 C ATOM 408 O GLU A 463 85.554 -5.876 10.537 1.00 0.00 O ATOM 409 CB GLU A 463 84.928 -8.988 11.559 1.00 0.00 C ATOM 410 CG GLU A 463 84.106 -8.054 12.433 1.00 0.00 C ATOM 411 CD GLU A 463 82.917 -8.748 13.068 1.00 0.00 C ATOM 412 OE1 GLU A 463 83.131 -9.713 13.831 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.771 -8.325 12.804 1.00 0.00 O ATOM 0 H GLU A 463 87.710 -8.491 9.841 1.00 0.00 H new ATOM 0 HA GLU A 463 85.085 -8.169 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.262 -9.716 11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 463 85.619 -9.546 12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 463 84.742 -7.641 13.216 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.755 -7.215 11.832 1.00 0.00 H new ATOM 420 N PRO A 464 87.179 -6.815 11.784 1.00 0.00 N ATOM 421 CA PRO A 464 87.692 -5.547 12.312 1.00 0.00 C ATOM 422 C PRO A 464 88.145 -4.602 11.201 1.00 0.00 C ATOM 423 O PRO A 464 87.499 -4.504 10.158 1.00 0.00 O ATOM 424 CB PRO A 464 88.885 -5.974 13.180 1.00 0.00 C ATOM 425 CG PRO A 464 88.633 -7.408 13.497 1.00 0.00 C ATOM 426 CD PRO A 464 87.933 -7.971 12.296 1.00 0.00 C ATOM 0 HA PRO A 464 86.930 -4.995 12.862 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.827 -5.847 12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 464 88.948 -5.374 14.088 1.00 0.00 H new ATOM 0 HG2 PRO A 464 89.567 -7.936 13.690 1.00 0.00 H new ATOM 0 HG3 PRO A 464 88.019 -7.509 14.392 1.00 0.00 H new ATOM 0 HD2 PRO A 464 88.639 -8.352 11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 464 87.274 -8.797 12.563 1.00 0.00 H new ATOM 434 N LEU A 465 89.254 -3.904 11.431 1.00 0.00 N ATOM 435 CA LEU A 465 89.785 -2.964 10.452 1.00 0.00 C ATOM 436 C LEU A 465 88.958 -1.684 10.437 1.00 0.00 C ATOM 437 O LEU A 465 88.190 -1.429 9.510 1.00 0.00 O ATOM 438 CB LEU A 465 89.821 -3.597 9.060 1.00 0.00 C ATOM 439 CG LEU A 465 91.224 -3.761 8.473 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.272 -4.939 7.513 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.661 -2.481 7.777 1.00 0.00 C ATOM 0 H LEU A 465 89.802 -3.973 12.289 1.00 0.00 H new ATOM 0 HA LEU A 465 90.806 -2.711 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.344 -4.576 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 465 89.226 -2.986 8.381 1.00 0.00 H new ATOM 0 HG LEU A 465 91.917 -3.962 9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.279 -5.037 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.004 -5.852 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.567 -4.773 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.661 -2.614 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.964 -2.249 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.671 -1.661 8.495 1.00 0.00 H new ATOM 453 N PRO A 466 89.117 -0.869 11.485 1.00 0.00 N ATOM 454 CA PRO A 466 88.401 0.403 11.642 1.00 0.00 C ATOM 455 C PRO A 466 88.654 1.373 10.491 1.00 0.00 C ATOM 456 O PRO A 466 87.771 2.138 10.104 1.00 0.00 O ATOM 457 CB PRO A 466 88.965 0.976 12.950 1.00 0.00 C ATOM 458 CG PRO A 466 90.240 0.236 13.180 1.00 0.00 C ATOM 459 CD PRO A 466 90.020 -1.131 12.612 1.00 0.00 C ATOM 0 HA PRO A 466 87.321 0.253 11.652 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.141 2.049 12.867 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.270 0.830 13.777 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.076 0.734 12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 466 90.478 0.185 14.243 1.00 0.00 H new ATOM 0 HD2 PRO A 466 90.954 -1.589 12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 466 89.572 -1.806 13.342 1.00 0.00 H new ATOM 467 N GLY A 467 89.867 1.339 9.953 1.00 0.00 N ATOM 468 CA GLY A 467 90.217 2.222 8.856 1.00 0.00 C ATOM 469 C GLY A 467 91.714 2.430 8.747 1.00 0.00 C ATOM 470 O GLY A 467 92.474 1.942 9.580 1.00 0.00 O ATOM 0 H GLY A 467 90.615 0.716 10.257 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.840 1.806 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.727 3.185 8.996 1.00 0.00 H new ATOM 474 N ARG A 468 92.141 3.161 7.724 1.00 0.00 N ATOM 475 CA ARG A 468 93.560 3.430 7.524 1.00 0.00 C ATOM 476 C ARG A 468 94.154 4.202 8.700 1.00 0.00 C ATOM 477 O ARG A 468 95.293 3.963 9.097 1.00 0.00 O ATOM 478 CB ARG A 468 93.772 4.211 6.224 1.00 0.00 C ATOM 479 CG ARG A 468 93.476 5.697 6.346 1.00 0.00 C ATOM 480 CD ARG A 468 92.786 6.229 5.104 1.00 0.00 C ATOM 481 NE ARG A 468 93.274 7.555 4.734 1.00 0.00 N ATOM 482 CZ ARG A 468 92.550 8.446 4.066 1.00 0.00 C ATOM 483 NH1 ARG A 468 91.310 8.154 3.696 1.00 0.00 N ATOM 484 NH2 ARG A 468 93.062 9.632 3.770 1.00 0.00 N ATOM 0 H ARG A 468 91.528 3.577 7.023 1.00 0.00 H new ATOM 0 HA ARG A 468 94.074 2.471 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.804 4.081 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.136 3.786 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 468 92.846 5.873 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 468 94.406 6.242 6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 468 92.947 5.539 4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 468 91.711 6.273 5.277 1.00 0.00 H new ATOM 0 HE ARG A 468 94.224 7.811 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 468 90.911 7.244 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 468 90.756 8.840 3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 468 94.014 9.862 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 468 92.504 10.315 3.257 1.00 0.00 H new ATOM 498 N LYS A 469 93.378 5.132 9.248 1.00 0.00 N ATOM 499 CA LYS A 469 93.837 5.944 10.371 1.00 0.00 C ATOM 500 C LYS A 469 94.131 5.084 11.597 1.00 0.00 C ATOM 501 O LYS A 469 95.160 5.250 12.255 1.00 0.00 O ATOM 502 CB LYS A 469 92.783 6.997 10.718 1.00 0.00 C ATOM 503 CG LYS A 469 91.430 6.406 11.085 1.00 0.00 C ATOM 504 CD LYS A 469 90.382 7.488 11.283 1.00 0.00 C ATOM 505 CE LYS A 469 89.835 7.984 9.955 1.00 0.00 C ATOM 506 NZ LYS A 469 89.879 9.469 9.856 1.00 0.00 N ATOM 0 H LYS A 469 92.431 5.342 8.934 1.00 0.00 H new ATOM 0 HA LYS A 469 94.763 6.437 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 469 93.145 7.600 11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.659 7.668 9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.105 5.724 10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.525 5.819 11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.566 7.098 11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.818 8.322 11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 469 90.412 7.549 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.807 7.643 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 89.497 9.767 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 89.308 9.885 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 90.863 9.794 9.944 1.00 0.00 H new ATOM 520 N GLN A 470 93.220 4.166 11.901 1.00 0.00 N ATOM 521 CA GLN A 470 93.383 3.287 13.053 1.00 0.00 C ATOM 522 C GLN A 470 94.376 2.173 12.756 1.00 0.00 C ATOM 523 O GLN A 470 95.233 1.858 13.581 1.00 0.00 O ATOM 524 CB GLN A 470 92.035 2.695 13.463 1.00 0.00 C ATOM 525 CG GLN A 470 91.259 3.574 14.431 1.00 0.00 C ATOM 526 CD GLN A 470 92.121 4.092 15.565 1.00 0.00 C ATOM 527 OE1 GLN A 470 92.918 3.353 16.141 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.964 5.369 15.892 1.00 0.00 N ATOM 0 H GLN A 470 92.364 4.011 11.368 1.00 0.00 H new ATOM 0 HA GLN A 470 93.776 3.882 13.878 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.432 2.530 12.570 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.199 1.720 13.921 1.00 0.00 H new ATOM 0 HG2 GLN A 470 90.833 4.418 13.888 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.425 3.006 14.843 1.00 0.00 H new ATOM 0 HE21 GLN A 470 91.291 5.946 15.387 1.00 0.00 H new ATOM 0 HE22 GLN A 470 92.516 5.773 16.648 1.00 0.00 H new ATOM 537 N VAL A 471 94.261 1.580 11.572 1.00 0.00 N ATOM 538 CA VAL A 471 95.162 0.507 11.179 1.00 0.00 C ATOM 539 C VAL A 471 96.599 1.008 11.139 1.00 0.00 C ATOM 540 O VAL A 471 97.513 0.341 11.625 1.00 0.00 O ATOM 541 CB VAL A 471 94.780 -0.083 9.809 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.652 -1.283 9.481 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.307 -0.460 9.787 1.00 0.00 C ATOM 0 H VAL A 471 93.558 1.823 10.874 1.00 0.00 H new ATOM 0 HA VAL A 471 95.073 -0.282 11.925 1.00 0.00 H new ATOM 0 HB VAL A 471 94.950 0.676 9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.366 -1.686 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.698 -0.976 9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.518 -2.049 10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.052 -0.876 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.110 -1.202 10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.702 0.427 9.973 1.00 0.00 H new ATOM 553 N ARG A 472 96.790 2.199 10.576 1.00 0.00 N ATOM 554 CA ARG A 472 98.117 2.797 10.497 1.00 0.00 C ATOM 555 C ARG A 472 98.658 3.063 11.896 1.00 0.00 C ATOM 556 O ARG A 472 99.823 2.795 12.184 1.00 0.00 O ATOM 557 CB ARG A 472 98.078 4.097 9.690 1.00 0.00 C ATOM 558 CG ARG A 472 97.661 5.312 10.503 1.00 0.00 C ATOM 559 CD ARG A 472 97.906 6.602 9.736 1.00 0.00 C ATOM 560 NE ARG A 472 97.607 7.784 10.540 1.00 0.00 N ATOM 561 CZ ARG A 472 98.002 9.013 10.221 1.00 0.00 C ATOM 562 NH1 ARG A 472 98.700 9.221 9.113 1.00 0.00 N ATOM 563 NH2 ARG A 472 97.694 10.036 11.006 1.00 0.00 N ATOM 0 H ARG A 472 96.045 2.765 10.170 1.00 0.00 H new ATOM 0 HA ARG A 472 98.780 2.097 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 472 99.064 4.278 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.387 3.975 8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.605 5.235 10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 472 98.217 5.333 11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 472 98.946 6.638 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 472 97.291 6.611 8.836 1.00 0.00 H new ATOM 0 HE ARG A 472 97.064 7.660 11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 472 98.935 8.438 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 472 99.002 10.164 8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 472 97.153 9.881 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 472 97.998 10.978 10.759 1.00 0.00 H new ATOM 577 N ASP A 473 97.801 3.592 12.766 1.00 0.00 N ATOM 578 CA ASP A 473 98.192 3.890 14.139 1.00 0.00 C ATOM 579 C ASP A 473 98.559 2.613 14.890 1.00 0.00 C ATOM 580 O ASP A 473 99.458 2.611 15.729 1.00 0.00 O ATOM 581 CB ASP A 473 97.059 4.616 14.867 1.00 0.00 C ATOM 582 CG ASP A 473 96.944 6.071 14.455 1.00 0.00 C ATOM 583 OD1 ASP A 473 97.994 6.732 14.309 1.00 0.00 O ATOM 584 OD2 ASP A 473 95.803 6.549 14.277 1.00 0.00 O ATOM 0 H ASP A 473 96.833 3.822 12.544 1.00 0.00 H new ATOM 0 HA ASP A 473 99.069 4.537 14.109 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.116 4.108 14.663 1.00 0.00 H new ATOM 0 HB3 ASP A 473 97.226 4.558 15.943 1.00 0.00 H new ATOM 589 N THR A 474 97.853 1.527 14.584 1.00 0.00 N ATOM 590 CA THR A 474 98.101 0.242 15.229 1.00 0.00 C ATOM 591 C THR A 474 99.462 -0.325 14.835 1.00 0.00 C ATOM 592 O THR A 474 100.327 -0.562 15.686 1.00 0.00 O ATOM 593 CB THR A 474 97.012 -0.786 14.863 1.00 0.00 C ATOM 594 OG1 THR A 474 96.486 -0.543 13.552 1.00 0.00 O ATOM 595 CG2 THR A 474 95.863 -0.740 15.858 1.00 0.00 C ATOM 0 H THR A 474 97.104 1.512 13.892 1.00 0.00 H new ATOM 0 HA THR A 474 98.083 0.423 16.304 1.00 0.00 H new ATOM 0 HB THR A 474 97.484 -1.768 14.889 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.219 -0.538 12.901 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.109 -1.475 15.577 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.237 -0.968 16.856 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.419 0.255 15.855 1.00 0.00 H new ATOM 603 N LEU A 475 99.656 -0.525 13.536 1.00 0.00 N ATOM 604 CA LEU A 475 100.916 -1.049 13.033 1.00 0.00 C ATOM 605 C LEU A 475 102.041 -0.065 13.314 1.00 0.00 C ATOM 606 O LEU A 475 103.142 -0.455 13.700 1.00 0.00 O ATOM 607 CB LEU A 475 100.818 -1.328 11.531 1.00 0.00 C ATOM 608 CG LEU A 475 100.289 -0.168 10.688 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.434 0.718 10.224 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.502 -0.692 9.496 1.00 0.00 C ATOM 0 H LEU A 475 98.959 -0.333 12.817 1.00 0.00 H new ATOM 0 HA LEU A 475 101.133 -1.987 13.545 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.807 -1.602 11.163 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.170 -2.192 11.379 1.00 0.00 H new ATOM 0 HG LEU A 475 99.620 0.431 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 475 101.039 1.539 9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.957 1.121 11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.128 0.131 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.133 0.147 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.150 -1.313 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.659 -1.286 9.849 1.00 0.00 H new ATOM 622 N ALA A 476 101.749 1.218 13.130 1.00 0.00 N ATOM 623 CA ALA A 476 102.729 2.263 13.379 1.00 0.00 C ATOM 624 C ALA A 476 103.022 2.378 14.869 1.00 0.00 C ATOM 625 O ALA A 476 104.098 2.823 15.268 1.00 0.00 O ATOM 626 CB ALA A 476 102.252 3.600 12.829 1.00 0.00 C ATOM 0 H ALA A 476 100.842 1.557 12.810 1.00 0.00 H new ATOM 0 HA ALA A 476 103.650 1.991 12.863 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.003 4.364 13.028 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.096 3.516 11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.315 3.878 13.311 1.00 0.00 H new ATOM 632 N ALA A 477 102.059 1.964 15.691 1.00 0.00 N ATOM 633 CA ALA A 477 102.228 2.018 17.136 1.00 0.00 C ATOM 634 C ALA A 477 103.193 0.935 17.595 1.00 0.00 C ATOM 635 O ALA A 477 103.925 1.112 18.569 1.00 0.00 O ATOM 636 CB ALA A 477 100.891 1.871 17.848 1.00 0.00 C ATOM 0 H ALA A 477 101.162 1.591 15.381 1.00 0.00 H new ATOM 0 HA ALA A 477 102.643 2.992 17.393 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.046 1.915 18.926 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.226 2.679 17.544 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.442 0.913 17.585 1.00 0.00 H new ATOM 642 N ILE A 478 103.207 -0.180 16.869 1.00 0.00 N ATOM 643 CA ILE A 478 104.107 -1.283 17.190 1.00 0.00 C ATOM 644 C ILE A 478 105.497 -1.017 16.619 1.00 0.00 C ATOM 645 O ILE A 478 106.506 -1.430 17.191 1.00 0.00 O ATOM 646 CB ILE A 478 103.575 -2.630 16.652 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.426 -3.129 17.527 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.687 -3.669 16.595 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.222 -3.586 16.738 1.00 0.00 C ATOM 0 H ILE A 478 102.609 -0.343 16.059 1.00 0.00 H new ATOM 0 HA ILE A 478 104.165 -1.350 18.276 1.00 0.00 H new ATOM 0 HB ILE A 478 103.205 -2.473 15.639 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.781 -3.955 18.143 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.124 -2.332 18.206 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.288 -4.609 16.213 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.480 -3.317 15.936 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.090 -3.826 17.596 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.446 -3.927 17.423 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.841 -2.757 16.142 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.509 -4.405 16.078 1.00 0.00 H new ATOM 661 N SER A 479 105.536 -0.326 15.484 1.00 0.00 N ATOM 662 CA SER A 479 106.796 0.000 14.825 1.00 0.00 C ATOM 663 C SER A 479 106.583 1.055 13.743 1.00 0.00 C ATOM 664 O SER A 479 105.759 0.880 12.845 1.00 0.00 O ATOM 665 CB SER A 479 107.413 -1.257 14.211 1.00 0.00 C ATOM 666 OG SER A 479 106.411 -2.138 13.731 1.00 0.00 O ATOM 0 H SER A 479 104.707 0.020 15.000 1.00 0.00 H new ATOM 0 HA SER A 479 107.478 0.403 15.574 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.077 -0.977 13.393 1.00 0.00 H new ATOM 0 HB3 SER A 479 108.023 -1.767 14.956 1.00 0.00 H new ATOM 0 HG SER A 479 106.320 -2.033 12.761 1.00 0.00 H new ATOM 672 N GLU A 480 107.324 2.153 13.840 1.00 0.00 N ATOM 673 CA GLU A 480 107.214 3.242 12.875 1.00 0.00 C ATOM 674 C GLU A 480 107.212 2.718 11.441 1.00 0.00 C ATOM 675 O GLU A 480 108.123 1.998 11.028 1.00 0.00 O ATOM 676 CB GLU A 480 108.359 4.237 13.065 1.00 0.00 C ATOM 677 CG GLU A 480 108.065 5.615 12.496 1.00 0.00 C ATOM 678 CD GLU A 480 108.813 6.718 13.220 1.00 0.00 C ATOM 679 OE1 GLU A 480 108.175 7.729 13.582 1.00 0.00 O ATOM 680 OE2 GLU A 480 110.035 6.570 13.425 1.00 0.00 O ATOM 0 H GLU A 480 108.009 2.313 14.579 1.00 0.00 H new ATOM 0 HA GLU A 480 106.265 3.748 13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 480 108.576 4.331 14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.257 3.841 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 480 108.333 5.632 11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 480 106.994 5.808 12.556 1.00 0.00 H new ATOM 687 N VAL A 481 106.183 3.094 10.686 1.00 0.00 N ATOM 688 CA VAL A 481 106.055 2.675 9.294 1.00 0.00 C ATOM 689 C VAL A 481 106.142 3.871 8.357 1.00 0.00 C ATOM 690 O VAL A 481 106.013 5.019 8.783 1.00 0.00 O ATOM 691 CB VAL A 481 104.724 1.942 9.045 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.857 0.467 9.383 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.604 2.585 9.850 1.00 0.00 C ATOM 0 H VAL A 481 105.424 3.690 11.017 1.00 0.00 H new ATOM 0 HA VAL A 481 106.879 1.991 9.092 1.00 0.00 H new ATOM 0 HB VAL A 481 104.474 2.026 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.907 -0.035 9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.630 0.019 8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.130 0.357 10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.670 2.055 9.662 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.843 2.533 10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.495 3.628 9.553 1.00 0.00 H new ATOM 703 N LEU A 482 106.365 3.595 7.078 1.00 0.00 N ATOM 704 CA LEU A 482 106.471 4.649 6.081 1.00 0.00 C ATOM 705 C LEU A 482 105.094 5.193 5.717 1.00 0.00 C ATOM 706 O LEU A 482 104.747 6.320 6.067 1.00 0.00 O ATOM 707 CB LEU A 482 107.176 4.123 4.829 1.00 0.00 C ATOM 708 CG LEU A 482 107.005 4.984 3.576 1.00 0.00 C ATOM 709 CD1 LEU A 482 106.917 6.456 3.948 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.152 4.745 2.605 1.00 0.00 C ATOM 0 H LEU A 482 106.476 2.651 6.709 1.00 0.00 H new ATOM 0 HA LEU A 482 107.060 5.462 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.241 4.029 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.804 3.121 4.616 1.00 0.00 H new ATOM 0 HG LEU A 482 106.074 4.698 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 482 106.796 7.053 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 482 106.062 6.615 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 482 107.830 6.757 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.014 5.365 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 482 109.096 5.003 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 482 108.169 3.695 2.313 1.00 0.00 H new ATOM 722 N TYR A 483 104.317 4.385 5.004 1.00 0.00 N ATOM 723 CA TYR A 483 102.978 4.792 4.584 1.00 0.00 C ATOM 724 C TYR A 483 102.026 3.602 4.527 1.00 0.00 C ATOM 725 O TYR A 483 102.411 2.507 4.126 1.00 0.00 O ATOM 726 CB TYR A 483 103.036 5.473 3.215 1.00 0.00 C ATOM 727 CG TYR A 483 101.682 5.892 2.684 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.315 7.233 2.643 1.00 0.00 C ATOM 729 CD2 TYR A 483 100.771 4.950 2.221 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.081 7.620 2.154 1.00 0.00 C ATOM 731 CE2 TYR A 483 99.535 5.331 1.731 1.00 0.00 C ATOM 732 CZ TYR A 483 99.196 6.667 1.700 1.00 0.00 C ATOM 733 OH TYR A 483 97.967 7.051 1.212 1.00 0.00 O ATOM 0 H TYR A 483 104.588 3.448 4.705 1.00 0.00 H new ATOM 0 HA TYR A 483 102.599 5.497 5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.677 6.352 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.502 4.794 2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 483 102.005 7.984 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.033 3.902 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.812 8.666 2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 483 98.839 4.586 1.375 1.00 0.00 H new ATOM 0 HH TYR A 483 97.464 6.258 0.932 1.00 0.00 H new ATOM 743 N VAL A 484 100.779 3.829 4.928 1.00 0.00 N ATOM 744 CA VAL A 484 99.768 2.779 4.917 1.00 0.00 C ATOM 745 C VAL A 484 98.822 2.942 3.731 1.00 0.00 C ATOM 746 O VAL A 484 98.097 3.932 3.636 1.00 0.00 O ATOM 747 CB VAL A 484 98.941 2.785 6.214 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.327 4.157 6.445 1.00 0.00 C ATOM 749 CG2 VAL A 484 97.863 1.713 6.164 1.00 0.00 C ATOM 0 H VAL A 484 100.445 4.732 5.265 1.00 0.00 H new ATOM 0 HA VAL A 484 100.298 1.830 4.833 1.00 0.00 H new ATOM 0 HB VAL A 484 99.604 2.562 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.745 4.145 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 484 99.119 4.901 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 484 97.676 4.410 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 484 97.288 1.732 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.199 1.903 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 484 98.328 0.734 6.046 1.00 0.00 H new ATOM 759 N ASP A 485 98.831 1.965 2.828 1.00 0.00 N ATOM 760 CA ASP A 485 97.969 2.006 1.652 1.00 0.00 C ATOM 761 C ASP A 485 96.750 1.109 1.836 1.00 0.00 C ATOM 762 O ASP A 485 96.755 -0.053 1.433 1.00 0.00 O ATOM 763 CB ASP A 485 98.746 1.581 0.408 1.00 0.00 C ATOM 764 CG ASP A 485 97.868 1.511 -0.827 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.195 2.516 -1.132 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.854 0.450 -1.486 1.00 0.00 O ATOM 0 H ASP A 485 99.424 1.138 2.888 1.00 0.00 H new ATOM 0 HA ASP A 485 97.625 3.032 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.559 2.285 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.201 0.606 0.583 1.00 0.00 H new ATOM 771 N LEU A 486 95.705 1.660 2.443 1.00 0.00 N ATOM 772 CA LEU A 486 94.473 0.913 2.677 1.00 0.00 C ATOM 773 C LEU A 486 93.500 1.098 1.520 1.00 0.00 C ATOM 774 O LEU A 486 93.235 2.223 1.095 1.00 0.00 O ATOM 775 CB LEU A 486 93.810 1.361 3.980 1.00 0.00 C ATOM 776 CG LEU A 486 92.486 0.662 4.296 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.469 0.179 5.736 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.314 1.594 4.026 1.00 0.00 C ATOM 0 H LEU A 486 95.686 2.622 2.782 1.00 0.00 H new ATOM 0 HA LEU A 486 94.733 -0.143 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.503 1.187 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.636 2.436 3.932 1.00 0.00 H new ATOM 0 HG LEU A 486 92.389 -0.206 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.520 -0.316 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 486 93.287 -0.524 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.588 1.030 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.380 1.081 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.404 2.482 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.317 1.888 2.976 1.00 0.00 H new ATOM 790 N LEU A 487 92.963 -0.008 1.013 1.00 0.00 N ATOM 791 CA LEU A 487 92.016 0.051 -0.093 1.00 0.00 C ATOM 792 C LEU A 487 90.691 0.653 0.365 1.00 0.00 C ATOM 793 O LEU A 487 89.795 -0.058 0.818 1.00 0.00 O ATOM 794 CB LEU A 487 91.786 -1.345 -0.676 1.00 0.00 C ATOM 795 CG LEU A 487 92.695 -1.710 -1.850 1.00 0.00 C ATOM 796 CD1 LEU A 487 94.123 -1.264 -1.578 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.643 -3.206 -2.120 1.00 0.00 C ATOM 0 H LEU A 487 93.166 -0.950 1.349 1.00 0.00 H new ATOM 0 HA LEU A 487 92.438 0.690 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.926 -2.081 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.748 -1.421 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 487 92.337 -1.189 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.755 -1.532 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.146 -0.184 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 487 94.493 -1.756 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 487 93.296 -3.447 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 487 92.975 -3.747 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.621 -3.497 -2.361 1.00 0.00 H new ATOM 809 N GLU A 488 90.581 1.972 0.247 1.00 0.00 N ATOM 810 CA GLU A 488 89.373 2.680 0.651 1.00 0.00 C ATOM 811 C GLU A 488 88.127 1.849 0.360 1.00 0.00 C ATOM 812 O GLU A 488 87.877 1.468 -0.784 1.00 0.00 O ATOM 813 CB GLU A 488 89.280 4.025 -0.071 1.00 0.00 C ATOM 814 CG GLU A 488 89.177 5.215 0.870 1.00 0.00 C ATOM 815 CD GLU A 488 89.692 6.498 0.247 1.00 0.00 C ATOM 816 OE1 GLU A 488 89.246 6.837 -0.870 1.00 0.00 O ATOM 817 OE2 GLU A 488 90.541 7.164 0.875 1.00 0.00 O ATOM 0 H GLU A 488 91.316 2.573 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 488 89.429 2.853 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.158 4.149 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 488 88.410 4.016 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 488 88.137 5.351 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 488 89.741 5.005 1.779 1.00 0.00 H new ATOM 824 N GLY A 489 87.349 1.575 1.401 1.00 0.00 N ATOM 825 CA GLY A 489 86.137 0.794 1.237 1.00 0.00 C ATOM 826 C GLY A 489 86.412 -0.691 1.113 1.00 0.00 C ATOM 827 O GLY A 489 85.528 -1.463 0.741 1.00 0.00 O ATOM 0 H GLY A 489 87.536 1.880 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.479 0.968 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.606 1.137 0.349 1.00 0.00 H new ATOM 831 N ASP A 490 87.639 -1.094 1.422 1.00 0.00 N ATOM 832 CA ASP A 490 88.020 -2.499 1.340 1.00 0.00 C ATOM 833 C ASP A 490 88.486 -3.018 2.695 1.00 0.00 C ATOM 834 O ASP A 490 88.845 -2.244 3.582 1.00 0.00 O ATOM 835 CB ASP A 490 89.122 -2.692 0.299 1.00 0.00 C ATOM 836 CG ASP A 490 89.060 -4.056 -0.359 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.827 -4.290 -1.317 1.00 0.00 O ATOM 838 OD2 ASP A 490 88.245 -4.893 0.085 1.00 0.00 O ATOM 0 H ASP A 490 88.385 -0.470 1.731 1.00 0.00 H new ATOM 0 HA ASP A 490 87.142 -3.069 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.037 -1.919 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.094 -2.565 0.775 1.00 0.00 H new ATOM 843 N THR A 491 88.469 -4.338 2.845 1.00 0.00 N ATOM 844 CA THR A 491 88.880 -4.974 4.090 1.00 0.00 C ATOM 845 C THR A 491 90.353 -5.367 4.056 1.00 0.00 C ATOM 846 O THR A 491 90.820 -6.124 4.907 1.00 0.00 O ATOM 847 CB THR A 491 88.036 -6.228 4.381 1.00 0.00 C ATOM 848 OG1 THR A 491 88.481 -7.349 3.603 1.00 0.00 O ATOM 849 CG2 THR A 491 86.568 -5.979 4.067 1.00 0.00 C ATOM 0 H THR A 491 88.174 -4.989 2.117 1.00 0.00 H new ATOM 0 HA THR A 491 88.724 -4.242 4.882 1.00 0.00 H new ATOM 0 HB THR A 491 88.156 -6.451 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.928 -8.131 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 491 85.992 -6.880 4.281 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.199 -5.158 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.460 -5.721 3.014 1.00 0.00 H new ATOM 857 N GLU A 492 91.081 -4.860 3.065 1.00 0.00 N ATOM 858 CA GLU A 492 92.499 -5.178 2.928 1.00 0.00 C ATOM 859 C GLU A 492 93.345 -3.918 2.752 1.00 0.00 C ATOM 860 O GLU A 492 93.074 -3.083 1.886 1.00 0.00 O ATOM 861 CB GLU A 492 92.717 -6.117 1.740 1.00 0.00 C ATOM 862 CG GLU A 492 91.431 -6.713 1.190 1.00 0.00 C ATOM 863 CD GLU A 492 91.608 -7.298 -0.197 1.00 0.00 C ATOM 864 OE1 GLU A 492 91.017 -8.364 -0.472 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.338 -6.690 -1.009 1.00 0.00 O ATOM 0 H GLU A 492 90.716 -4.231 2.350 1.00 0.00 H new ATOM 0 HA GLU A 492 92.816 -5.672 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.224 -5.571 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.381 -6.926 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.077 -7.491 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.661 -5.942 1.160 1.00 0.00 H new ATOM 872 N CYS A 493 94.381 -3.796 3.579 1.00 0.00 N ATOM 873 CA CYS A 493 95.285 -2.654 3.519 1.00 0.00 C ATOM 874 C CYS A 493 96.729 -3.132 3.410 1.00 0.00 C ATOM 875 O CYS A 493 97.099 -4.141 4.007 1.00 0.00 O ATOM 876 CB CYS A 493 95.122 -1.776 4.760 1.00 0.00 C ATOM 877 SG CYS A 493 94.504 -2.660 6.212 1.00 0.00 S ATOM 0 H CYS A 493 94.614 -4.478 4.301 1.00 0.00 H new ATOM 0 HA CYS A 493 95.036 -2.064 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 493 96.085 -1.327 5.004 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.439 -0.959 4.527 1.00 0.00 H new ATOM 0 HG CYS A 493 93.445 -3.340 5.888 1.00 0.00 H new ATOM 883 N HIS A 494 97.543 -2.408 2.651 1.00 0.00 N ATOM 884 CA HIS A 494 98.945 -2.772 2.479 1.00 0.00 C ATOM 885 C HIS A 494 99.855 -1.607 2.850 1.00 0.00 C ATOM 886 O HIS A 494 100.012 -0.661 2.079 1.00 0.00 O ATOM 887 CB HIS A 494 99.213 -3.206 1.037 1.00 0.00 C ATOM 888 CG HIS A 494 98.370 -4.361 0.591 1.00 0.00 C ATOM 889 ND1 HIS A 494 96.992 -4.324 0.577 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.717 -5.591 0.140 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.527 -5.481 0.137 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.553 -6.265 -0.136 1.00 0.00 N ATOM 0 H HIS A 494 97.258 -1.569 2.146 1.00 0.00 H new ATOM 0 HA HIS A 494 99.161 -3.608 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.036 -2.360 0.373 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.265 -3.475 0.937 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.721 -5.970 0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.485 -5.740 0.021 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.491 -7.218 -0.494 1.00 0.00 H new ATOM 901 N ALA A 495 100.442 -1.676 4.041 1.00 0.00 N ATOM 902 CA ALA A 495 101.325 -0.621 4.516 1.00 0.00 C ATOM 903 C ALA A 495 102.774 -0.875 4.113 1.00 0.00 C ATOM 904 O ALA A 495 103.326 -1.945 4.367 1.00 0.00 O ATOM 905 CB ALA A 495 101.219 -0.466 6.026 1.00 0.00 C ATOM 0 H ALA A 495 100.321 -2.451 4.693 1.00 0.00 H new ATOM 0 HA ALA A 495 101.003 0.307 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 495 101.888 0.328 6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.193 -0.213 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.500 -1.402 6.508 1.00 0.00 H new ATOM 911 N ARG A 496 103.385 0.128 3.492 1.00 0.00 N ATOM 912 CA ARG A 496 104.772 0.037 3.058 1.00 0.00 C ATOM 913 C ARG A 496 105.714 0.402 4.200 1.00 0.00 C ATOM 914 O ARG A 496 105.560 1.448 4.836 1.00 0.00 O ATOM 915 CB ARG A 496 105.012 0.967 1.868 1.00 0.00 C ATOM 916 CG ARG A 496 104.901 0.273 0.521 1.00 0.00 C ATOM 917 CD ARG A 496 103.949 1.010 -0.407 1.00 0.00 C ATOM 918 NE ARG A 496 104.425 2.352 -0.724 1.00 0.00 N ATOM 919 CZ ARG A 496 103.745 3.215 -1.470 1.00 0.00 C ATOM 920 NH1 ARG A 496 102.560 2.879 -1.958 1.00 0.00 N ATOM 921 NH2 ARG A 496 104.248 4.414 -1.728 1.00 0.00 N ATOM 0 H ARG A 496 102.937 1.019 3.277 1.00 0.00 H new ATOM 0 HA ARG A 496 104.973 -0.990 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 496 104.293 1.785 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 496 106.004 1.410 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 496 105.887 0.212 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 496 104.552 -0.750 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 496 103.828 0.441 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 496 102.966 1.075 0.059 1.00 0.00 H new ATOM 0 HE ARG A 496 105.329 2.643 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 496 102.170 1.957 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 496 102.038 3.542 -2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 496 105.160 4.676 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 496 103.723 5.075 -2.301 1.00 0.00 H new ATOM 935 N PHE A 497 106.696 -0.457 4.443 1.00 0.00 N ATOM 936 CA PHE A 497 107.678 -0.223 5.494 1.00 0.00 C ATOM 937 C PHE A 497 108.988 0.272 4.894 1.00 0.00 C ATOM 938 O PHE A 497 109.358 -0.117 3.786 1.00 0.00 O ATOM 939 CB PHE A 497 107.915 -1.502 6.297 1.00 0.00 C ATOM 940 CG PHE A 497 106.756 -1.879 7.174 1.00 0.00 C ATOM 941 CD1 PHE A 497 105.475 -1.947 6.654 1.00 0.00 C ATOM 942 CD2 PHE A 497 106.946 -2.162 8.517 1.00 0.00 C ATOM 943 CE1 PHE A 497 104.404 -2.293 7.454 1.00 0.00 C ATOM 944 CE2 PHE A 497 105.880 -2.508 9.325 1.00 0.00 C ATOM 945 CZ PHE A 497 104.606 -2.572 8.792 1.00 0.00 C ATOM 0 H PHE A 497 106.834 -1.325 3.925 1.00 0.00 H new ATOM 0 HA PHE A 497 107.290 0.543 6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.122 -2.321 5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.803 -1.374 6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 497 105.311 -1.727 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 497 107.940 -2.112 8.937 1.00 0.00 H new ATOM 0 HE1 PHE A 497 103.410 -2.345 7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 497 106.042 -2.728 10.370 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.770 -2.840 9.421 1.00 0.00 H new ATOM 955 N LYS A 498 109.681 1.138 5.622 1.00 0.00 N ATOM 956 CA LYS A 498 110.943 1.690 5.149 1.00 0.00 C ATOM 957 C LYS A 498 112.091 0.701 5.335 1.00 0.00 C ATOM 958 O LYS A 498 113.148 0.847 4.723 1.00 0.00 O ATOM 959 CB LYS A 498 111.255 3.000 5.877 1.00 0.00 C ATOM 960 CG LYS A 498 111.591 4.148 4.941 1.00 0.00 C ATOM 961 CD LYS A 498 111.910 5.419 5.709 1.00 0.00 C ATOM 962 CE LYS A 498 112.142 6.592 4.770 1.00 0.00 C ATOM 963 NZ LYS A 498 113.403 6.438 3.993 1.00 0.00 N ATOM 0 H LYS A 498 109.391 1.473 6.541 1.00 0.00 H new ATOM 0 HA LYS A 498 110.840 1.888 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.397 3.280 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.092 2.839 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 498 112.443 3.874 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 498 110.752 4.329 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 498 111.089 5.651 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 498 112.797 5.262 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 498 111.300 6.680 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 498 112.181 7.517 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 113.569 7.295 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 114.199 6.295 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 113.323 5.616 3.360 1.00 0.00 H new ATOM 977 N THR A 499 111.880 -0.306 6.178 1.00 0.00 N ATOM 978 CA THR A 499 112.909 -1.309 6.430 1.00 0.00 C ATOM 979 C THR A 499 112.313 -2.710 6.517 1.00 0.00 C ATOM 980 O THR A 499 111.152 -2.882 6.889 1.00 0.00 O ATOM 981 CB THR A 499 113.677 -1.014 7.732 1.00 0.00 C ATOM 982 OG1 THR A 499 112.905 -0.201 8.623 1.00 0.00 O ATOM 983 CG2 THR A 499 114.985 -0.298 7.438 1.00 0.00 C ATOM 0 H THR A 499 111.012 -0.448 6.695 1.00 0.00 H new ATOM 0 HA THR A 499 113.599 -1.263 5.587 1.00 0.00 H new ATOM 0 HB THR A 499 113.878 -1.975 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.252 -0.294 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.510 -0.100 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.607 -0.924 6.798 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.778 0.645 6.932 1.00 0.00 H new ATOM 991 N PRO A 500 113.110 -3.732 6.171 1.00 0.00 N ATOM 992 CA PRO A 500 112.674 -5.131 6.206 1.00 0.00 C ATOM 993 C PRO A 500 112.581 -5.677 7.627 1.00 0.00 C ATOM 994 O PRO A 500 111.664 -6.432 7.954 1.00 0.00 O ATOM 995 CB PRO A 500 113.772 -5.855 5.429 1.00 0.00 C ATOM 996 CG PRO A 500 114.988 -5.026 5.646 1.00 0.00 C ATOM 997 CD PRO A 500 114.508 -3.600 5.717 1.00 0.00 C ATOM 0 HA PRO A 500 111.675 -5.259 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.914 -6.872 5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.526 -5.930 4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.497 -5.313 6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.701 -5.158 4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.103 -3.010 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.571 -3.106 4.747 1.00 0.00 H new ATOM 1005 N GLU A 501 113.537 -5.294 8.468 1.00 0.00 N ATOM 1006 CA GLU A 501 113.564 -5.749 9.854 1.00 0.00 C ATOM 1007 C GLU A 501 112.312 -5.302 10.599 1.00 0.00 C ATOM 1008 O GLU A 501 111.785 -6.030 11.439 1.00 0.00 O ATOM 1009 CB GLU A 501 114.808 -5.211 10.566 1.00 0.00 C ATOM 1010 CG GLU A 501 116.014 -5.057 9.656 1.00 0.00 C ATOM 1011 CD GLU A 501 117.320 -5.006 10.425 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.541 -4.018 11.156 1.00 0.00 O ATOM 1013 OE2 GLU A 501 118.122 -5.956 10.298 1.00 0.00 O ATOM 0 H GLU A 501 114.303 -4.670 8.214 1.00 0.00 H new ATOM 0 HA GLU A 501 113.595 -6.839 9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.572 -4.243 11.009 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.066 -5.882 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 501 116.043 -5.889 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 501 115.907 -4.146 9.068 1.00 0.00 H new ATOM 1020 N ASP A 502 111.847 -4.099 10.288 1.00 0.00 N ATOM 1021 CA ASP A 502 110.662 -3.546 10.931 1.00 0.00 C ATOM 1022 C ASP A 502 109.425 -4.393 10.643 1.00 0.00 C ATOM 1023 O ASP A 502 108.570 -4.569 11.510 1.00 0.00 O ATOM 1024 CB ASP A 502 110.428 -2.109 10.461 1.00 0.00 C ATOM 1025 CG ASP A 502 111.629 -1.219 10.710 1.00 0.00 C ATOM 1026 OD1 ASP A 502 112.769 -1.692 10.521 1.00 0.00 O ATOM 1027 OD2 ASP A 502 111.429 -0.048 11.094 1.00 0.00 O ATOM 0 H ASP A 502 112.273 -3.486 9.593 1.00 0.00 H new ATOM 0 HA ASP A 502 110.834 -3.552 12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 502 110.195 -2.111 9.396 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.560 -1.697 10.977 1.00 0.00 H new ATOM 1032 N ALA A 503 109.330 -4.910 9.422 1.00 0.00 N ATOM 1033 CA ALA A 503 108.189 -5.731 9.030 1.00 0.00 C ATOM 1034 C ALA A 503 108.167 -7.049 9.797 1.00 0.00 C ATOM 1035 O ALA A 503 107.115 -7.489 10.264 1.00 0.00 O ATOM 1036 CB ALA A 503 108.202 -5.997 7.532 1.00 0.00 C ATOM 0 H ALA A 503 110.027 -4.776 8.689 1.00 0.00 H new ATOM 0 HA ALA A 503 107.285 -5.176 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.342 -6.611 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 503 108.154 -5.050 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 503 109.119 -6.521 7.263 1.00 0.00 H new ATOM 1042 N GLN A 504 109.330 -7.677 9.922 1.00 0.00 N ATOM 1043 CA GLN A 504 109.441 -8.947 10.630 1.00 0.00 C ATOM 1044 C GLN A 504 109.068 -8.793 12.104 1.00 0.00 C ATOM 1045 O GLN A 504 108.379 -9.637 12.672 1.00 0.00 O ATOM 1046 CB GLN A 504 110.861 -9.501 10.506 1.00 0.00 C ATOM 1047 CG GLN A 504 110.959 -10.991 10.794 1.00 0.00 C ATOM 1048 CD GLN A 504 112.365 -11.427 11.154 1.00 0.00 C ATOM 1049 OE1 GLN A 504 112.787 -11.312 12.305 1.00 0.00 O ATOM 1050 NE2 GLN A 504 113.099 -11.929 10.168 1.00 0.00 N ATOM 0 H GLN A 504 110.210 -7.328 9.542 1.00 0.00 H new ATOM 0 HA GLN A 504 108.742 -9.647 10.173 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.231 -9.309 9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.514 -8.963 11.193 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.284 -11.244 11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.623 -11.549 9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.708 -12.006 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 504 114.054 -12.238 10.349 1.00 0.00 H new ATOM 1059 N ALA A 505 109.547 -7.721 12.723 1.00 0.00 N ATOM 1060 CA ALA A 505 109.278 -7.471 14.136 1.00 0.00 C ATOM 1061 C ALA A 505 107.795 -7.206 14.401 1.00 0.00 C ATOM 1062 O ALA A 505 107.249 -7.660 15.406 1.00 0.00 O ATOM 1063 CB ALA A 505 110.114 -6.306 14.647 1.00 0.00 C ATOM 0 H ALA A 505 110.123 -7.011 12.271 1.00 0.00 H new ATOM 0 HA ALA A 505 109.556 -8.375 14.677 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.897 -6.138 15.702 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.172 -6.537 14.526 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.872 -5.408 14.079 1.00 0.00 H new ATOM 1069 N VAL A 506 107.152 -6.454 13.511 1.00 0.00 N ATOM 1070 CA VAL A 506 105.739 -6.118 13.677 1.00 0.00 C ATOM 1071 C VAL A 506 104.827 -7.333 13.513 1.00 0.00 C ATOM 1072 O VAL A 506 103.875 -7.506 14.275 1.00 0.00 O ATOM 1073 CB VAL A 506 105.304 -5.027 12.681 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.466 -5.511 11.248 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.868 -4.603 12.950 1.00 0.00 C ATOM 0 H VAL A 506 107.583 -6.067 12.672 1.00 0.00 H new ATOM 0 HA VAL A 506 105.636 -5.746 14.696 1.00 0.00 H new ATOM 0 HB VAL A 506 105.948 -4.159 12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.153 -4.725 10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.511 -5.759 11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.850 -6.396 11.091 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.577 -3.831 12.237 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.208 -5.464 12.843 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.789 -4.209 13.963 1.00 0.00 H new ATOM 1085 N ILE A 507 105.106 -8.167 12.516 1.00 0.00 N ATOM 1086 CA ILE A 507 104.286 -9.350 12.265 1.00 0.00 C ATOM 1087 C ILE A 507 104.374 -10.345 13.415 1.00 0.00 C ATOM 1088 O ILE A 507 103.405 -11.038 13.725 1.00 0.00 O ATOM 1089 CB ILE A 507 104.696 -10.063 10.967 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.179 -10.423 11.006 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.385 -9.195 9.758 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.458 -11.865 10.649 1.00 0.00 C ATOM 0 H ILE A 507 105.888 -8.048 11.872 1.00 0.00 H new ATOM 0 HA ILE A 507 103.260 -8.994 12.170 1.00 0.00 H new ATOM 0 HB ILE A 507 104.120 -10.984 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.721 -9.775 10.317 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.568 -10.222 12.004 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.683 -9.717 8.849 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.315 -8.988 9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.934 -8.256 9.833 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.531 -12.051 10.697 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.945 -12.520 11.353 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.100 -12.066 9.639 1.00 0.00 H new ATOM 1104 N ASN A 508 105.533 -10.396 14.059 1.00 0.00 N ATOM 1105 CA ASN A 508 105.728 -11.292 15.190 1.00 0.00 C ATOM 1106 C ASN A 508 104.918 -10.803 16.384 1.00 0.00 C ATOM 1107 O ASN A 508 104.319 -11.589 17.116 1.00 0.00 O ATOM 1108 CB ASN A 508 107.211 -11.376 15.560 1.00 0.00 C ATOM 1109 CG ASN A 508 108.010 -12.199 14.568 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.610 -13.302 14.196 1.00 0.00 O ATOM 1111 ND2 ASN A 508 109.147 -11.666 14.138 1.00 0.00 N ATOM 0 H ASN A 508 106.347 -9.831 13.819 1.00 0.00 H new ATOM 0 HA ASN A 508 105.385 -12.288 14.909 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.627 -10.370 15.611 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.310 -11.813 16.554 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.729 -12.174 13.472 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.439 -10.748 14.474 1.00 0.00 H new ATOM 1118 N ALA A 509 104.913 -9.486 16.560 1.00 0.00 N ATOM 1119 CA ALA A 509 104.188 -8.846 17.652 1.00 0.00 C ATOM 1120 C ALA A 509 102.689 -8.788 17.381 1.00 0.00 C ATOM 1121 O ALA A 509 101.882 -8.716 18.308 1.00 0.00 O ATOM 1122 CB ALA A 509 104.720 -7.443 17.899 1.00 0.00 C ATOM 0 H ALA A 509 105.409 -8.834 15.952 1.00 0.00 H new ATOM 0 HA ALA A 509 104.347 -9.454 18.542 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.166 -6.983 18.717 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.777 -7.495 18.160 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.599 -6.844 16.997 1.00 0.00 H new ATOM 1128 N TYR A 510 102.326 -8.783 16.105 1.00 0.00 N ATOM 1129 CA TYR A 510 100.926 -8.691 15.711 1.00 0.00 C ATOM 1130 C TYR A 510 100.106 -9.886 16.175 1.00 0.00 C ATOM 1131 O TYR A 510 98.888 -9.786 16.317 1.00 0.00 O ATOM 1132 CB TYR A 510 100.802 -8.545 14.201 1.00 0.00 C ATOM 1133 CG TYR A 510 100.162 -7.244 13.794 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.315 -7.169 12.697 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.408 -6.088 14.518 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.729 -5.973 12.332 1.00 0.00 C ATOM 1137 CE2 TYR A 510 99.825 -4.886 14.160 1.00 0.00 C ATOM 1138 CZ TYR A 510 98.988 -4.834 13.066 1.00 0.00 C ATOM 1139 OH TYR A 510 98.406 -3.640 12.705 1.00 0.00 O ATOM 0 H TYR A 510 102.981 -8.842 15.325 1.00 0.00 H new ATOM 0 HA TYR A 510 100.525 -7.804 16.202 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.792 -8.615 13.751 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.214 -9.374 13.807 1.00 0.00 H new ATOM 0 HD1 TYR A 510 99.111 -8.059 12.120 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.065 -6.126 15.375 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.071 -5.930 11.476 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.024 -3.993 14.734 1.00 0.00 H new ATOM 0 HH TYR A 510 97.435 -3.701 12.822 1.00 0.00 H new ATOM 1149 N THR A 511 100.762 -11.012 16.417 1.00 0.00 N ATOM 1150 CA THR A 511 100.053 -12.197 16.870 1.00 0.00 C ATOM 1151 C THR A 511 99.143 -11.844 18.037 1.00 0.00 C ATOM 1152 O THR A 511 98.035 -12.365 18.162 1.00 0.00 O ATOM 1153 CB THR A 511 101.026 -13.309 17.306 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.793 -12.914 18.451 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.986 -13.658 16.180 1.00 0.00 C ATOM 0 H THR A 511 101.770 -11.129 16.309 1.00 0.00 H new ATOM 0 HA THR A 511 99.462 -12.566 16.032 1.00 0.00 H new ATOM 0 HB THR A 511 100.420 -14.179 17.561 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.614 -12.467 18.156 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.664 -14.445 16.510 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.421 -14.005 15.315 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.563 -12.774 15.906 1.00 0.00 H new ATOM 1163 N GLU A 512 99.631 -10.953 18.891 1.00 0.00 N ATOM 1164 CA GLU A 512 98.879 -10.516 20.062 1.00 0.00 C ATOM 1165 C GLU A 512 97.629 -9.741 19.656 1.00 0.00 C ATOM 1166 O GLU A 512 96.641 -9.707 20.389 1.00 0.00 O ATOM 1167 CB GLU A 512 99.767 -9.660 20.972 1.00 0.00 C ATOM 1168 CG GLU A 512 99.705 -8.170 20.671 1.00 0.00 C ATOM 1169 CD GLU A 512 98.741 -7.434 21.581 1.00 0.00 C ATOM 1170 OE1 GLU A 512 98.627 -7.823 22.763 1.00 0.00 O ATOM 1171 OE2 GLU A 512 98.102 -6.468 21.114 1.00 0.00 O ATOM 0 H GLU A 512 100.548 -10.517 18.794 1.00 0.00 H new ATOM 0 HA GLU A 512 98.561 -11.402 20.611 1.00 0.00 H new ATOM 0 HB2 GLU A 512 99.472 -9.824 22.009 1.00 0.00 H new ATOM 0 HB3 GLU A 512 100.799 -9.997 20.877 1.00 0.00 H new ATOM 0 HG2 GLU A 512 100.701 -7.739 20.777 1.00 0.00 H new ATOM 0 HG3 GLU A 512 99.404 -8.024 19.634 1.00 0.00 H new ATOM 1178 N ILE A 513 97.687 -9.116 18.487 1.00 0.00 N ATOM 1179 CA ILE A 513 96.568 -8.333 17.975 1.00 0.00 C ATOM 1180 C ILE A 513 95.244 -9.072 18.132 1.00 0.00 C ATOM 1181 O ILE A 513 94.218 -8.466 18.446 1.00 0.00 O ATOM 1182 CB ILE A 513 96.777 -7.979 16.490 1.00 0.00 C ATOM 1183 CG1 ILE A 513 98.043 -7.140 16.322 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.569 -7.238 15.939 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.875 -5.701 16.756 1.00 0.00 C ATOM 0 H ILE A 513 98.501 -9.136 17.872 1.00 0.00 H new ATOM 0 HA ILE A 513 96.528 -7.417 18.565 1.00 0.00 H new ATOM 0 HB ILE A 513 96.894 -8.905 15.926 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.849 -7.593 16.899 1.00 0.00 H new ATOM 0 HG13 ILE A 513 98.348 -7.162 15.276 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.737 -6.998 14.889 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.684 -7.867 16.030 1.00 0.00 H new ATOM 0 HG23 ILE A 513 95.419 -6.317 16.503 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.813 -5.165 16.609 1.00 0.00 H new ATOM 0 HD12 ILE A 513 97.091 -5.231 16.162 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.600 -5.669 17.810 1.00 0.00 H new ATOM 1197 N ASN A 514 95.265 -10.381 17.903 1.00 0.00 N ATOM 1198 CA ASN A 514 94.059 -11.197 18.011 1.00 0.00 C ATOM 1199 C ASN A 514 93.448 -11.114 19.408 1.00 0.00 C ATOM 1200 O ASN A 514 92.263 -11.387 19.592 1.00 0.00 O ATOM 1201 CB ASN A 514 94.370 -12.653 17.669 1.00 0.00 C ATOM 1202 CG ASN A 514 93.193 -13.570 17.937 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.357 -14.674 18.457 1.00 0.00 O ATOM 1204 ND2 ASN A 514 91.996 -13.115 17.584 1.00 0.00 N ATOM 0 H ASN A 514 96.103 -10.900 17.641 1.00 0.00 H new ATOM 0 HA ASN A 514 93.333 -10.805 17.299 1.00 0.00 H new ATOM 0 HB2 ASN A 514 94.652 -12.725 16.619 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.228 -12.986 18.253 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.166 -13.687 17.741 1.00 0.00 H new ATOM 0 HD22 ASN A 514 91.907 -12.194 17.156 1.00 0.00 H new ATOM 1211 N LYS A 515 94.262 -10.739 20.390 1.00 0.00 N ATOM 1212 CA LYS A 515 93.791 -10.626 21.767 1.00 0.00 C ATOM 1213 C LYS A 515 92.452 -9.896 21.827 1.00 0.00 C ATOM 1214 O LYS A 515 91.674 -10.080 22.762 1.00 0.00 O ATOM 1215 CB LYS A 515 94.822 -9.897 22.628 1.00 0.00 C ATOM 1216 CG LYS A 515 95.878 -10.817 23.219 1.00 0.00 C ATOM 1217 CD LYS A 515 96.566 -10.181 24.417 1.00 0.00 C ATOM 1218 CE LYS A 515 96.807 -11.194 25.525 1.00 0.00 C ATOM 1219 NZ LYS A 515 95.974 -10.912 26.726 1.00 0.00 N ATOM 0 H LYS A 515 95.247 -10.509 20.259 1.00 0.00 H new ATOM 0 HA LYS A 515 93.653 -11.634 22.158 1.00 0.00 H new ATOM 0 HB2 LYS A 515 95.313 -9.134 22.024 1.00 0.00 H new ATOM 0 HB3 LYS A 515 94.307 -9.380 23.438 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.415 -11.757 23.521 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.620 -11.057 22.457 1.00 0.00 H new ATOM 0 HD2 LYS A 515 97.517 -9.749 24.105 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.954 -9.363 24.797 1.00 0.00 H new ATOM 0 HE2 LYS A 515 96.585 -12.195 25.156 1.00 0.00 H new ATOM 0 HE3 LYS A 515 97.861 -11.184 25.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 96.168 -11.625 27.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 96.204 -9.967 27.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 94.968 -10.947 26.466 1.00 0.00 H new ATOM 1233 N LYS A 516 92.189 -9.072 20.818 1.00 0.00 N ATOM 1234 CA LYS A 516 90.943 -8.320 20.750 1.00 0.00 C ATOM 1235 C LYS A 516 90.293 -8.479 19.381 1.00 0.00 C ATOM 1236 O LYS A 516 89.123 -8.848 19.277 1.00 0.00 O ATOM 1237 CB LYS A 516 91.188 -6.840 21.037 1.00 0.00 C ATOM 1238 CG LYS A 516 89.918 -6.073 21.370 1.00 0.00 C ATOM 1239 CD LYS A 516 89.903 -5.625 22.820 1.00 0.00 C ATOM 1240 CE LYS A 516 91.166 -4.861 23.177 1.00 0.00 C ATOM 1241 NZ LYS A 516 90.960 -3.965 24.347 1.00 0.00 N ATOM 0 H LYS A 516 92.823 -8.909 20.036 1.00 0.00 H new ATOM 0 HA LYS A 516 90.270 -8.718 21.509 1.00 0.00 H new ATOM 0 HB2 LYS A 516 91.887 -6.749 21.868 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.663 -6.383 20.169 1.00 0.00 H new ATOM 0 HG2 LYS A 516 89.836 -5.203 20.718 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.050 -6.702 21.173 1.00 0.00 H new ATOM 0 HD2 LYS A 516 89.032 -4.995 22.999 1.00 0.00 H new ATOM 0 HD3 LYS A 516 89.806 -6.495 23.470 1.00 0.00 H new ATOM 0 HE2 LYS A 516 91.967 -5.567 23.397 1.00 0.00 H new ATOM 0 HE3 LYS A 516 91.488 -4.270 22.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 91.845 -3.462 24.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 90.213 -3.275 24.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 90.678 -4.531 25.172 1.00 0.00 H new ATOM 1255 N HIS A 517 91.060 -8.200 18.334 1.00 0.00 N ATOM 1256 CA HIS A 517 90.563 -8.315 16.970 1.00 0.00 C ATOM 1257 C HIS A 517 91.498 -9.175 16.125 1.00 0.00 C ATOM 1258 O HIS A 517 92.618 -8.769 15.814 1.00 0.00 O ATOM 1259 CB HIS A 517 90.415 -6.926 16.341 1.00 0.00 C ATOM 1260 CG HIS A 517 90.176 -5.833 17.338 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.917 -5.376 17.670 1.00 0.00 N ATOM 1262 CD2 HIS A 517 91.046 -5.100 18.074 1.00 0.00 C ATOM 1263 CE1 HIS A 517 89.024 -4.409 18.564 1.00 0.00 C ATOM 1264 NE2 HIS A 517 90.304 -4.224 18.825 1.00 0.00 N ATOM 0 H HIS A 517 92.030 -7.892 18.405 1.00 0.00 H new ATOM 0 HA HIS A 517 89.585 -8.796 17.002 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.317 -6.696 15.773 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.588 -6.945 15.631 1.00 0.00 H new ATOM 0 HD2 HIS A 517 92.122 -5.189 18.070 1.00 0.00 H new ATOM 0 HE1 HIS A 517 88.204 -3.863 19.006 1.00 0.00 H new ATOM 0 HE2 HIS A 517 90.681 -3.539 19.480 1.00 0.00 H new ATOM 1273 N CYS A 518 91.032 -10.365 15.756 1.00 0.00 N ATOM 1274 CA CYS A 518 91.830 -11.278 14.944 1.00 0.00 C ATOM 1275 C CYS A 518 92.342 -10.569 13.696 1.00 0.00 C ATOM 1276 O CYS A 518 91.563 -10.211 12.814 1.00 0.00 O ATOM 1277 CB CYS A 518 91.001 -12.502 14.551 1.00 0.00 C ATOM 1278 SG CYS A 518 91.987 -13.969 14.168 1.00 0.00 S ATOM 0 H CYS A 518 90.108 -10.719 16.006 1.00 0.00 H new ATOM 0 HA CYS A 518 92.685 -11.608 15.534 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.316 -12.740 15.365 1.00 0.00 H new ATOM 0 HB3 CYS A 518 90.391 -12.251 13.684 1.00 0.00 H new ATOM 0 HG CYS A 518 91.198 -14.951 13.849 1.00 0.00 H new ATOM 1284 N TRP A 519 93.653 -10.358 13.631 1.00 0.00 N ATOM 1285 CA TRP A 519 94.247 -9.676 12.491 1.00 0.00 C ATOM 1286 C TRP A 519 95.337 -10.509 11.830 1.00 0.00 C ATOM 1287 O TRP A 519 96.056 -11.262 12.486 1.00 0.00 O ATOM 1288 CB TRP A 519 94.797 -8.320 12.915 1.00 0.00 C ATOM 1289 CG TRP A 519 94.367 -7.226 11.996 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.774 -7.387 10.782 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.486 -5.815 12.207 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.513 -6.170 10.221 1.00 0.00 N ATOM 1293 CE2 TRP A 519 93.940 -5.182 11.074 1.00 0.00 C ATOM 1294 CE3 TRP A 519 94.998 -5.022 13.239 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 93.892 -3.793 10.949 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 94.949 -3.649 13.112 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.399 -3.048 11.977 1.00 0.00 C ATOM 0 H TRP A 519 94.318 -10.647 14.349 1.00 0.00 H new ATOM 0 HA TRP A 519 93.460 -9.528 11.752 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.462 -8.094 13.928 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.886 -8.363 12.941 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.543 -8.339 10.328 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.072 -6.019 9.314 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.425 -5.477 14.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.470 -3.324 10.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.342 -3.028 13.903 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.374 -1.970 11.910 1.00 0.00 H new ATOM 1308 N LYS A 520 95.430 -10.367 10.514 1.00 0.00 N ATOM 1309 CA LYS A 520 96.403 -11.098 9.716 1.00 0.00 C ATOM 1310 C LYS A 520 97.499 -10.179 9.185 1.00 0.00 C ATOM 1311 O LYS A 520 97.220 -9.086 8.690 1.00 0.00 O ATOM 1312 CB LYS A 520 95.688 -11.761 8.549 1.00 0.00 C ATOM 1313 CG LYS A 520 94.303 -12.275 8.904 1.00 0.00 C ATOM 1314 CD LYS A 520 94.366 -13.351 9.978 1.00 0.00 C ATOM 1315 CE LYS A 520 93.379 -13.074 11.101 1.00 0.00 C ATOM 1316 NZ LYS A 520 91.969 -13.114 10.624 1.00 0.00 N ATOM 0 H LYS A 520 94.833 -9.742 9.971 1.00 0.00 H new ATOM 0 HA LYS A 520 96.874 -11.848 10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.603 -11.046 7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.294 -12.591 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.685 -11.448 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.823 -12.678 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.151 -14.323 9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.376 -13.403 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.515 -13.810 11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 520 93.588 -12.096 11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.335 -13.294 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.724 -12.202 10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 91.861 -13.874 9.922 1.00 0.00 H new ATOM 1330 N LEU A 521 98.744 -10.636 9.276 1.00 0.00 N ATOM 1331 CA LEU A 521 99.882 -9.864 8.794 1.00 0.00 C ATOM 1332 C LEU A 521 100.805 -10.737 7.948 1.00 0.00 C ATOM 1333 O LEU A 521 101.262 -11.788 8.398 1.00 0.00 O ATOM 1334 CB LEU A 521 100.657 -9.271 9.972 1.00 0.00 C ATOM 1335 CG LEU A 521 100.649 -7.744 10.054 1.00 0.00 C ATOM 1336 CD1 LEU A 521 101.653 -7.155 9.079 1.00 0.00 C ATOM 1337 CD2 LEU A 521 99.255 -7.203 9.777 1.00 0.00 C ATOM 0 H LEU A 521 98.990 -11.540 9.680 1.00 0.00 H new ATOM 0 HA LEU A 521 99.506 -9.052 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 521 100.242 -9.671 10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.691 -9.610 9.914 1.00 0.00 H new ATOM 0 HG LEU A 521 100.937 -7.451 11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 521 101.634 -6.067 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 521 102.652 -7.518 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 521 101.394 -7.457 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 521 99.268 -6.115 9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.939 -7.505 8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 521 98.557 -7.601 10.514 1.00 0.00 H new ATOM 1349 N GLU A 522 101.071 -10.304 6.718 1.00 0.00 N ATOM 1350 CA GLU A 522 101.935 -11.060 5.815 1.00 0.00 C ATOM 1351 C GLU A 522 102.856 -10.137 5.023 1.00 0.00 C ATOM 1352 O GLU A 522 102.418 -9.129 4.471 1.00 0.00 O ATOM 1353 CB GLU A 522 101.089 -11.896 4.852 1.00 0.00 C ATOM 1354 CG GLU A 522 101.576 -13.327 4.694 1.00 0.00 C ATOM 1355 CD GLU A 522 100.723 -14.321 5.456 1.00 0.00 C ATOM 1356 OE1 GLU A 522 100.627 -15.484 5.011 1.00 0.00 O ATOM 1357 OE2 GLU A 522 100.151 -13.937 6.499 1.00 0.00 O ATOM 0 H GLU A 522 100.703 -9.438 6.325 1.00 0.00 H new ATOM 0 HA GLU A 522 102.554 -11.720 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.058 -11.910 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 522 101.084 -11.414 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.578 -13.591 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.607 -13.397 5.042 1.00 0.00 H new ATOM 1364 N ILE A 523 104.136 -10.495 4.969 1.00 0.00 N ATOM 1365 CA ILE A 523 105.123 -9.706 4.240 1.00 0.00 C ATOM 1366 C ILE A 523 105.309 -10.249 2.825 1.00 0.00 C ATOM 1367 O ILE A 523 105.725 -11.393 2.641 1.00 0.00 O ATOM 1368 CB ILE A 523 106.483 -9.698 4.968 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.338 -9.070 6.354 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.520 -8.950 4.145 1.00 0.00 C ATOM 1371 CD1 ILE A 523 106.862 -9.946 7.470 1.00 0.00 C ATOM 0 H ILE A 523 104.514 -11.327 5.422 1.00 0.00 H new ATOM 0 HA ILE A 523 104.748 -8.684 4.188 1.00 0.00 H new ATOM 0 HB ILE A 523 106.821 -10.727 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.869 -8.118 6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.286 -8.852 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.474 -8.953 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.638 -9.438 3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.192 -7.921 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 523 106.727 -9.438 8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 523 106.315 -10.889 7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 523 107.922 -10.143 7.310 1.00 0.00 H new ATOM 1383 N LEU A 524 104.992 -9.427 1.828 1.00 0.00 N ATOM 1384 CA LEU A 524 105.119 -9.836 0.433 1.00 0.00 C ATOM 1385 C LEU A 524 106.573 -10.129 0.077 1.00 0.00 C ATOM 1386 O LEU A 524 107.486 -9.448 0.541 1.00 0.00 O ATOM 1387 CB LEU A 524 104.564 -8.754 -0.492 1.00 0.00 C ATOM 1388 CG LEU A 524 103.051 -8.802 -0.716 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.694 -9.885 -1.722 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.321 -9.035 0.600 1.00 0.00 C ATOM 0 H LEU A 524 104.646 -8.476 1.960 1.00 0.00 H new ATOM 0 HA LEU A 524 104.541 -10.751 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.824 -7.779 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.061 -8.835 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 524 102.734 -7.840 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.614 -9.904 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.185 -9.675 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.026 -10.853 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.246 -9.066 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.644 -9.982 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.550 -8.224 1.291 1.00 0.00 H new ATOM 1402 N SER A 525 106.779 -11.160 -0.737 1.00 0.00 N ATOM 1403 CA SER A 525 108.120 -11.561 -1.143 1.00 0.00 C ATOM 1404 C SER A 525 108.120 -12.135 -2.555 1.00 0.00 C ATOM 1405 O SER A 525 107.076 -12.516 -3.083 1.00 0.00 O ATOM 1406 CB SER A 525 108.695 -12.583 -0.159 1.00 0.00 C ATOM 1407 OG SER A 525 110.112 -12.552 -0.160 1.00 0.00 O ATOM 0 H SER A 525 106.032 -11.733 -1.129 1.00 0.00 H new ATOM 0 HA SER A 525 108.750 -10.671 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.324 -12.374 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.350 -13.582 -0.425 1.00 0.00 H new ATOM 0 HG SER A 525 110.454 -13.213 0.478 1.00 0.00 H new ATOM 1413 N GLY A 526 109.303 -12.199 -3.156 1.00 0.00 N ATOM 1414 CA GLY A 526 109.430 -12.738 -4.497 1.00 0.00 C ATOM 1415 C GLY A 526 108.519 -12.058 -5.496 1.00 0.00 C ATOM 1416 O GLY A 526 108.133 -10.902 -5.314 1.00 0.00 O ATOM 0 H GLY A 526 110.179 -11.886 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.464 -12.635 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.206 -13.805 -4.477 1.00 0.00 H new ATOM 1420 N ASP A 527 108.179 -12.779 -6.558 1.00 0.00 N ATOM 1421 CA ASP A 527 107.315 -12.246 -7.600 1.00 0.00 C ATOM 1422 C ASP A 527 106.072 -11.589 -7.008 1.00 0.00 C ATOM 1423 O ASP A 527 105.529 -10.648 -7.585 1.00 0.00 O ATOM 1424 CB ASP A 527 106.905 -13.359 -8.567 1.00 0.00 C ATOM 1425 CG ASP A 527 107.552 -13.211 -9.930 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.389 -12.299 -10.094 1.00 0.00 O ATOM 1427 OD2 ASP A 527 107.221 -14.008 -10.833 1.00 0.00 O ATOM 0 H ASP A 527 108.490 -13.737 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 527 107.876 -11.485 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 527 107.178 -14.325 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.821 -13.356 -8.681 1.00 0.00 H new ATOM 1432 N HIS A 528 105.622 -12.084 -5.859 1.00 0.00 N ATOM 1433 CA HIS A 528 104.440 -11.525 -5.213 1.00 0.00 C ATOM 1434 C HIS A 528 104.684 -10.081 -4.784 1.00 0.00 C ATOM 1435 O HIS A 528 103.857 -9.204 -5.033 1.00 0.00 O ATOM 1436 CB HIS A 528 104.037 -12.371 -4.004 1.00 0.00 C ATOM 1437 CG HIS A 528 102.589 -12.749 -3.999 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.006 -13.489 -2.992 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.603 -12.485 -4.888 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.724 -13.665 -3.263 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.455 -13.064 -4.407 1.00 0.00 N ATOM 0 H HIS A 528 106.053 -12.863 -5.361 1.00 0.00 H new ATOM 0 HA HIS A 528 103.625 -11.536 -5.937 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.642 -13.278 -3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.264 -11.819 -3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.701 -11.923 -5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.017 -14.208 -2.653 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.542 -13.035 -4.860 1.00 0.00 H new ATOM 1450 N GLU A 529 105.829 -9.837 -4.150 1.00 0.00 N ATOM 1451 CA GLU A 529 106.175 -8.491 -3.706 1.00 0.00 C ATOM 1452 C GLU A 529 106.426 -7.584 -4.905 1.00 0.00 C ATOM 1453 O GLU A 529 105.952 -6.448 -4.955 1.00 0.00 O ATOM 1454 CB GLU A 529 107.414 -8.529 -2.806 1.00 0.00 C ATOM 1455 CG GLU A 529 108.177 -7.214 -2.754 1.00 0.00 C ATOM 1456 CD GLU A 529 109.526 -7.345 -2.074 1.00 0.00 C ATOM 1457 OE1 GLU A 529 109.625 -8.117 -1.097 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.482 -6.677 -2.518 1.00 0.00 O ATOM 0 H GLU A 529 106.527 -10.548 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 529 105.338 -8.091 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.109 -8.801 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 529 108.084 -9.313 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.321 -6.842 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.579 -6.472 -2.225 1.00 0.00 H new ATOM 1465 N GLN A 530 107.174 -8.104 -5.872 1.00 0.00 N ATOM 1466 CA GLN A 530 107.497 -7.358 -7.084 1.00 0.00 C ATOM 1467 C GLN A 530 106.237 -7.043 -7.886 1.00 0.00 C ATOM 1468 O GLN A 530 106.100 -5.956 -8.447 1.00 0.00 O ATOM 1469 CB GLN A 530 108.482 -8.150 -7.949 1.00 0.00 C ATOM 1470 CG GLN A 530 109.085 -7.340 -9.085 1.00 0.00 C ATOM 1471 CD GLN A 530 108.744 -7.905 -10.451 1.00 0.00 C ATOM 1472 OE1 GLN A 530 109.602 -8.458 -11.139 1.00 0.00 O ATOM 1473 NE2 GLN A 530 107.485 -7.766 -10.850 1.00 0.00 N ATOM 0 H GLN A 530 107.570 -9.044 -5.840 1.00 0.00 H new ATOM 0 HA GLN A 530 107.959 -6.417 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.286 -8.527 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 530 107.970 -9.018 -8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.728 -6.312 -9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 530 110.168 -7.309 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.807 -7.301 -10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 530 107.196 -8.125 -11.760 1.00 0.00 H new ATOM 1482 N ARG A 531 105.325 -8.007 -7.940 1.00 0.00 N ATOM 1483 CA ARG A 531 104.075 -7.849 -8.676 1.00 0.00 C ATOM 1484 C ARG A 531 103.236 -6.715 -8.098 1.00 0.00 C ATOM 1485 O ARG A 531 102.822 -5.806 -8.818 1.00 0.00 O ATOM 1486 CB ARG A 531 103.279 -9.155 -8.648 1.00 0.00 C ATOM 1487 CG ARG A 531 102.089 -9.166 -9.592 1.00 0.00 C ATOM 1488 CD ARG A 531 100.907 -8.410 -9.007 1.00 0.00 C ATOM 1489 NE ARG A 531 99.672 -9.188 -9.072 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.436 -10.262 -8.324 1.00 0.00 C ATOM 1491 NH1 ARG A 531 100.348 -10.684 -7.459 1.00 0.00 N ATOM 1492 NH2 ARG A 531 98.286 -10.914 -8.441 1.00 0.00 N ATOM 0 H ARG A 531 105.429 -8.912 -7.480 1.00 0.00 H new ATOM 0 HA ARG A 531 104.320 -7.599 -9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.943 -9.980 -8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 531 102.927 -9.334 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 531 102.374 -8.718 -10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.797 -10.196 -9.799 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.119 -8.153 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.773 -7.472 -9.547 1.00 0.00 H new ATOM 0 HE ARG A 531 98.950 -8.891 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 531 101.233 -10.185 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 531 100.165 -11.508 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.582 -10.592 -9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 531 98.106 -11.738 -7.867 1.00 0.00 H new ATOM 1506 N TYR A 532 102.992 -6.771 -6.793 1.00 0.00 N ATOM 1507 CA TYR A 532 102.206 -5.743 -6.126 1.00 0.00 C ATOM 1508 C TYR A 532 102.795 -4.365 -6.396 1.00 0.00 C ATOM 1509 O TYR A 532 102.070 -3.409 -6.687 1.00 0.00 O ATOM 1510 CB TYR A 532 102.158 -6.012 -4.622 1.00 0.00 C ATOM 1511 CG TYR A 532 101.399 -4.964 -3.841 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.010 -3.776 -3.472 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.076 -5.166 -3.470 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.325 -2.814 -2.755 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.382 -4.209 -2.753 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.012 -3.035 -2.398 1.00 0.00 C ATOM 1517 OH TYR A 532 99.329 -2.078 -1.683 1.00 0.00 O ATOM 0 H TYR A 532 103.326 -7.514 -6.180 1.00 0.00 H new ATOM 0 HA TYR A 532 101.190 -5.769 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.697 -6.985 -4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.177 -6.070 -4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.039 -3.599 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.581 -6.085 -3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.816 -1.893 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.353 -4.380 -2.473 1.00 0.00 H new ATOM 0 HH TYR A 532 99.041 -1.362 -2.287 1.00 0.00 H new ATOM 1527 N TRP A 533 104.117 -4.268 -6.317 1.00 0.00 N ATOM 1528 CA TRP A 533 104.797 -3.007 -6.569 1.00 0.00 C ATOM 1529 C TRP A 533 104.551 -2.546 -7.999 1.00 0.00 C ATOM 1530 O TRP A 533 104.295 -1.367 -8.243 1.00 0.00 O ATOM 1531 CB TRP A 533 106.294 -3.143 -6.300 1.00 0.00 C ATOM 1532 CG TRP A 533 106.654 -2.817 -4.886 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.151 -3.675 -3.950 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.529 -1.545 -4.241 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.344 -3.015 -2.762 1.00 0.00 N ATOM 1536 CE2 TRP A 533 106.972 -1.705 -2.915 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.089 -0.285 -4.658 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 106.984 -0.652 -2.003 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.102 0.759 -3.751 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.548 0.570 -2.437 1.00 0.00 C ATOM 0 H TRP A 533 104.735 -5.044 -6.082 1.00 0.00 H new ATOM 0 HA TRP A 533 104.393 -2.256 -5.890 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.609 -4.162 -6.526 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.842 -2.483 -6.972 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.362 -4.721 -4.119 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.706 -3.432 -1.904 1.00 0.00 H new ATOM 0 HE3 TRP A 533 105.745 -0.130 -5.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.326 -0.795 -0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 105.763 1.736 -4.061 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.548 1.406 -1.753 1.00 0.00 H new ATOM 1551 N GLN A 534 104.609 -3.483 -8.940 1.00 0.00 N ATOM 1552 CA GLN A 534 104.368 -3.159 -10.338 1.00 0.00 C ATOM 1553 C GLN A 534 103.073 -2.370 -10.455 1.00 0.00 C ATOM 1554 O GLN A 534 103.008 -1.358 -11.153 1.00 0.00 O ATOM 1555 CB GLN A 534 104.293 -4.433 -11.181 1.00 0.00 C ATOM 1556 CG GLN A 534 105.654 -5.044 -11.473 1.00 0.00 C ATOM 1557 CD GLN A 534 105.807 -5.478 -12.917 1.00 0.00 C ATOM 1558 OE1 GLN A 534 105.329 -6.542 -13.312 1.00 0.00 O ATOM 1559 NE2 GLN A 534 106.479 -4.655 -13.713 1.00 0.00 N ATOM 0 H GLN A 534 104.819 -4.465 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 534 105.195 -2.555 -10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.677 -5.167 -10.662 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.794 -4.207 -12.124 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.432 -4.319 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.808 -5.904 -10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 534 106.858 -3.783 -13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 534 106.617 -4.894 -14.695 1.00 0.00 H new ATOM 1568 N LYS A 535 102.049 -2.834 -9.743 1.00 0.00 N ATOM 1569 CA LYS A 535 100.757 -2.165 -9.739 1.00 0.00 C ATOM 1570 C LYS A 535 100.909 -0.764 -9.151 1.00 0.00 C ATOM 1571 O LYS A 535 100.295 0.192 -9.625 1.00 0.00 O ATOM 1572 CB LYS A 535 99.736 -2.988 -8.941 1.00 0.00 C ATOM 1573 CG LYS A 535 98.768 -2.156 -8.112 1.00 0.00 C ATOM 1574 CD LYS A 535 99.401 -1.720 -6.802 1.00 0.00 C ATOM 1575 CE LYS A 535 98.642 -2.270 -5.606 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.805 -1.225 -4.954 1.00 0.00 N ATOM 0 H LYS A 535 102.092 -3.671 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 535 100.391 -2.076 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.164 -3.605 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.273 -3.666 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.460 -1.278 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.868 -2.736 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.436 -2.061 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.422 -0.631 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.007 -3.096 -5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.349 -2.674 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.303 -1.639 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 98.413 -0.448 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.113 -0.857 -5.638 1.00 0.00 H new ATOM 1590 N ILE A 536 101.745 -0.651 -8.120 1.00 0.00 N ATOM 1591 CA ILE A 536 101.993 0.633 -7.473 1.00 0.00 C ATOM 1592 C ILE A 536 102.624 1.614 -8.455 1.00 0.00 C ATOM 1593 O ILE A 536 102.001 2.597 -8.855 1.00 0.00 O ATOM 1594 CB ILE A 536 102.930 0.490 -6.256 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.364 -0.515 -5.250 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.144 1.841 -5.593 1.00 0.00 C ATOM 1597 CD1 ILE A 536 102.999 -0.413 -3.879 1.00 0.00 C ATOM 0 H ILE A 536 102.261 -1.433 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 536 101.027 1.007 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 536 103.892 0.116 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.289 -0.360 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.508 -1.524 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.807 1.725 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.593 2.530 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.186 2.238 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.552 -1.153 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.070 -0.598 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 536 102.832 0.585 -3.474 1.00 0.00 H new ATOM 1609 N LEU A 537 103.866 1.334 -8.839 1.00 0.00 N ATOM 1610 CA LEU A 537 104.587 2.186 -9.776 1.00 0.00 C ATOM 1611 C LEU A 537 103.660 2.669 -10.883 1.00 0.00 C ATOM 1612 O LEU A 537 103.467 3.871 -11.065 1.00 0.00 O ATOM 1613 CB LEU A 537 105.772 1.430 -10.382 1.00 0.00 C ATOM 1614 CG LEU A 537 107.005 1.331 -9.485 1.00 0.00 C ATOM 1615 CD1 LEU A 537 108.007 0.341 -10.061 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.646 2.700 -9.309 1.00 0.00 C ATOM 0 H LEU A 537 104.393 0.523 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 537 104.962 3.052 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.447 0.422 -10.639 1.00 0.00 H new ATOM 0 HB3 LEU A 537 106.058 1.920 -11.313 1.00 0.00 H new ATOM 0 HG LEU A 537 106.691 0.969 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.878 0.284 -9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 537 107.544 -0.643 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 537 108.317 0.672 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.523 2.611 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 537 107.946 3.089 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 537 106.929 3.381 -8.851 1.00 0.00 H new ATOM 1628 N VAL A 538 103.083 1.725 -11.618 1.00 0.00 N ATOM 1629 CA VAL A 538 102.171 2.057 -12.702 1.00 0.00 C ATOM 1630 C VAL A 538 101.103 3.035 -12.229 1.00 0.00 C ATOM 1631 O VAL A 538 100.717 3.948 -12.959 1.00 0.00 O ATOM 1632 CB VAL A 538 101.488 0.800 -13.272 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.340 1.186 -14.195 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.498 -0.072 -14.002 1.00 0.00 C ATOM 0 H VAL A 538 103.231 0.725 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 538 102.766 2.519 -13.490 1.00 0.00 H new ATOM 0 HB VAL A 538 101.078 0.225 -12.442 1.00 0.00 H new ATOM 0 HG11 VAL A 538 99.870 0.284 -14.588 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.604 1.765 -13.638 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.723 1.785 -15.021 1.00 0.00 H new ATOM 0 HG21 VAL A 538 101.997 -0.955 -14.398 1.00 0.00 H new ATOM 0 HG22 VAL A 538 102.940 0.493 -14.823 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.282 -0.379 -13.309 1.00 0.00 H new ATOM 1644 N ASP A 539 100.630 2.843 -11.000 1.00 0.00 N ATOM 1645 CA ASP A 539 99.610 3.718 -10.438 1.00 0.00 C ATOM 1646 C ASP A 539 100.149 5.136 -10.301 1.00 0.00 C ATOM 1647 O ASP A 539 99.441 6.111 -10.560 1.00 0.00 O ATOM 1648 CB ASP A 539 99.149 3.197 -9.075 1.00 0.00 C ATOM 1649 CG ASP A 539 98.006 4.013 -8.499 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.046 4.300 -9.245 1.00 0.00 O ATOM 1651 OD2 ASP A 539 98.070 4.362 -7.301 1.00 0.00 O ATOM 0 H ASP A 539 100.936 2.094 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 539 98.755 3.730 -11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.836 2.158 -9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.989 3.212 -8.380 1.00 0.00 H new ATOM 1656 N ARG A 540 101.416 5.244 -9.912 1.00 0.00 N ATOM 1657 CA ARG A 540 102.055 6.544 -9.762 1.00 0.00 C ATOM 1658 C ARG A 540 102.112 7.261 -11.105 1.00 0.00 C ATOM 1659 O ARG A 540 101.868 8.464 -11.192 1.00 0.00 O ATOM 1660 CB ARG A 540 103.464 6.386 -9.190 1.00 0.00 C ATOM 1661 CG ARG A 540 103.484 5.967 -7.729 1.00 0.00 C ATOM 1662 CD ARG A 540 103.477 7.173 -6.803 1.00 0.00 C ATOM 1663 NE ARG A 540 104.586 7.140 -5.852 1.00 0.00 N ATOM 1664 CZ ARG A 540 104.756 8.038 -4.888 1.00 0.00 C ATOM 1665 NH1 ARG A 540 103.891 9.035 -4.749 1.00 0.00 N ATOM 1666 NH2 ARG A 540 105.789 7.942 -4.064 1.00 0.00 N ATOM 0 H ARG A 540 102.017 4.449 -9.696 1.00 0.00 H new ATOM 0 HA ARG A 540 101.464 7.141 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 540 104.005 5.646 -9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.998 7.330 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.618 5.340 -7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 540 104.370 5.363 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.535 8.086 -7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.533 7.206 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 540 105.268 6.385 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 540 103.095 9.112 -5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 540 104.022 9.724 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 540 106.456 7.177 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 540 105.917 8.633 -3.325 1.00 0.00 H new ATOM 1680 N GLN A 541 102.427 6.505 -12.153 1.00 0.00 N ATOM 1681 CA GLN A 541 102.505 7.059 -13.499 1.00 0.00 C ATOM 1682 C GLN A 541 101.145 7.585 -13.937 1.00 0.00 C ATOM 1683 O GLN A 541 101.044 8.660 -14.526 1.00 0.00 O ATOM 1684 CB GLN A 541 103.000 6.000 -14.484 1.00 0.00 C ATOM 1685 CG GLN A 541 104.516 5.896 -14.556 1.00 0.00 C ATOM 1686 CD GLN A 541 105.140 5.563 -13.215 1.00 0.00 C ATOM 1687 OE1 GLN A 541 105.225 4.397 -12.829 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.579 6.590 -12.496 1.00 0.00 N ATOM 0 H GLN A 541 102.632 5.508 -12.095 1.00 0.00 H new ATOM 0 HA GLN A 541 103.214 7.887 -13.489 1.00 0.00 H new ATOM 0 HB2 GLN A 541 102.591 5.031 -14.198 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.612 6.230 -15.477 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.790 5.130 -15.281 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.925 6.839 -14.919 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.488 7.540 -12.855 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.007 6.428 -11.584 1.00 0.00 H new ATOM 1697 N ALA A 542 100.100 6.821 -13.638 1.00 0.00 N ATOM 1698 CA ALA A 542 98.743 7.210 -13.993 1.00 0.00 C ATOM 1699 C ALA A 542 98.353 8.497 -13.278 1.00 0.00 C ATOM 1700 O ALA A 542 97.577 9.299 -13.798 1.00 0.00 O ATOM 1701 CB ALA A 542 97.754 6.101 -13.665 1.00 0.00 C ATOM 0 H ALA A 542 100.168 5.928 -13.150 1.00 0.00 H new ATOM 0 HA ALA A 542 98.713 7.385 -15.068 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.748 6.418 -13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.017 5.202 -14.223 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.788 5.888 -12.597 1.00 0.00 H new ATOM 1707 N LYS A 543 98.903 8.689 -12.083 1.00 0.00 N ATOM 1708 CA LYS A 543 98.619 9.881 -11.292 1.00 0.00 C ATOM 1709 C LYS A 543 99.117 11.138 -12.004 1.00 0.00 C ATOM 1710 O LYS A 543 98.804 12.257 -11.596 1.00 0.00 O ATOM 1711 CB LYS A 543 99.269 9.772 -9.911 1.00 0.00 C ATOM 1712 CG LYS A 543 98.348 9.190 -8.849 1.00 0.00 C ATOM 1713 CD LYS A 543 98.986 9.235 -7.469 1.00 0.00 C ATOM 1714 CE LYS A 543 99.111 7.844 -6.867 1.00 0.00 C ATOM 1715 NZ LYS A 543 100.016 7.829 -5.684 1.00 0.00 N ATOM 0 H LYS A 543 99.548 8.034 -11.641 1.00 0.00 H new ATOM 0 HA LYS A 543 97.538 9.956 -11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 543 100.161 9.150 -9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.596 10.762 -9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 543 97.410 9.746 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 543 98.104 8.159 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 543 99.973 9.693 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 543 98.388 9.865 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 543 98.124 7.486 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 543 99.489 7.155 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 100.358 6.860 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 100.826 8.457 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 99.497 8.159 -4.845 1.00 0.00 H new ATOM 1729 N LEU A 544 99.892 10.948 -13.069 1.00 0.00 N ATOM 1730 CA LEU A 544 100.429 12.067 -13.832 1.00 0.00 C ATOM 1731 C LEU A 544 99.415 13.200 -13.922 1.00 0.00 C ATOM 1732 O LEU A 544 99.779 14.376 -13.930 1.00 0.00 O ATOM 1733 CB LEU A 544 100.822 11.610 -15.237 1.00 0.00 C ATOM 1734 CG LEU A 544 102.277 11.880 -15.623 1.00 0.00 C ATOM 1735 CD1 LEU A 544 103.203 10.885 -14.943 1.00 0.00 C ATOM 1736 CD2 LEU A 544 102.445 11.819 -17.134 1.00 0.00 C ATOM 0 H LEU A 544 100.161 10.029 -13.421 1.00 0.00 H new ATOM 0 HA LEU A 544 101.315 12.435 -13.314 1.00 0.00 H new ATOM 0 HB2 LEU A 544 100.633 10.540 -15.321 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.173 12.106 -15.959 1.00 0.00 H new ATOM 0 HG LEU A 544 102.543 12.882 -15.286 1.00 0.00 H new ATOM 0 HD11 LEU A 544 104.234 11.093 -15.230 1.00 0.00 H new ATOM 0 HD12 LEU A 544 103.102 10.974 -13.861 1.00 0.00 H new ATOM 0 HD13 LEU A 544 102.938 9.873 -15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 544 103.486 12.013 -17.392 1.00 0.00 H new ATOM 0 HD22 LEU A 544 102.161 10.829 -17.492 1.00 0.00 H new ATOM 0 HD23 LEU A 544 101.809 12.571 -17.601 1.00 0.00 H new ATOM 1748 N ASN A 545 98.139 12.837 -13.990 1.00 0.00 N ATOM 1749 CA ASN A 545 97.068 13.821 -14.078 1.00 0.00 C ATOM 1750 C ASN A 545 96.288 13.892 -12.771 1.00 0.00 C ATOM 1751 O ASN A 545 95.097 13.585 -12.730 1.00 0.00 O ATOM 1752 CB ASN A 545 96.125 13.474 -15.231 1.00 0.00 C ATOM 1753 CG ASN A 545 96.839 13.430 -16.568 1.00 0.00 C ATOM 1754 OD1 ASN A 545 96.756 12.440 -17.296 1.00 0.00 O ATOM 1755 ND2 ASN A 545 97.547 14.504 -16.898 1.00 0.00 N ATOM 0 H ASN A 545 97.822 11.868 -13.986 1.00 0.00 H new ATOM 0 HA ASN A 545 97.517 14.797 -14.265 1.00 0.00 H new ATOM 0 HB2 ASN A 545 95.660 12.507 -15.038 1.00 0.00 H new ATOM 0 HB3 ASN A 545 95.322 14.210 -15.275 1.00 0.00 H new ATOM 0 HD21 ASN A 545 98.050 14.531 -17.785 1.00 0.00 H new ATOM 0 HD22 ASN A 545 97.588 15.302 -16.264 1.00 0.00 H new ATOM 1762 N GLN A 546 96.971 14.296 -11.703 1.00 0.00 N ATOM 1763 CA GLN A 546 96.351 14.407 -10.389 1.00 0.00 C ATOM 1764 C GLN A 546 94.891 14.832 -10.504 1.00 0.00 C ATOM 1765 O GLN A 546 94.580 16.021 -10.565 1.00 0.00 O ATOM 1766 CB GLN A 546 97.121 15.406 -9.524 1.00 0.00 C ATOM 1767 CG GLN A 546 98.088 14.748 -8.556 1.00 0.00 C ATOM 1768 CD GLN A 546 98.685 15.732 -7.570 1.00 0.00 C ATOM 1769 OE1 GLN A 546 98.840 15.425 -6.388 1.00 0.00 O ATOM 1770 NE2 GLN A 546 99.024 16.923 -8.051 1.00 0.00 N ATOM 0 H GLN A 546 97.958 14.553 -11.724 1.00 0.00 H new ATOM 0 HA GLN A 546 96.384 13.425 -9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 546 97.674 16.086 -10.172 1.00 0.00 H new ATOM 0 HB3 GLN A 546 96.410 16.011 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 546 97.569 13.961 -8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 546 98.890 14.270 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 546 98.878 17.135 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 546 99.431 17.626 -7.433 1.00 0.00 H new ATOM 1779 N PRO A 547 93.975 13.852 -10.538 1.00 0.00 N ATOM 1780 CA PRO A 547 92.537 14.114 -10.649 1.00 0.00 C ATOM 1781 C PRO A 547 92.046 15.126 -9.620 1.00 0.00 C ATOM 1782 O PRO A 547 91.804 14.782 -8.463 1.00 0.00 O ATOM 1783 CB PRO A 547 91.910 12.742 -10.390 1.00 0.00 C ATOM 1784 CG PRO A 547 92.955 11.769 -10.808 1.00 0.00 C ATOM 1785 CD PRO A 547 94.274 12.410 -10.472 1.00 0.00 C ATOM 0 HA PRO A 547 92.275 14.546 -11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 547 91.649 12.617 -9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 547 90.993 12.610 -10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 547 92.837 10.820 -10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 547 92.885 11.555 -11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 547 94.624 12.116 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 547 95.051 12.127 -11.182 1.00 0.00 H new ATOM 1793 N ARG A 548 91.896 16.373 -10.051 1.00 0.00 N ATOM 1794 CA ARG A 548 91.430 17.436 -9.169 1.00 0.00 C ATOM 1795 C ARG A 548 89.913 17.381 -9.016 1.00 0.00 C ATOM 1796 O ARG A 548 89.173 17.677 -9.955 1.00 0.00 O ATOM 1797 CB ARG A 548 91.850 18.801 -9.718 1.00 0.00 C ATOM 1798 CG ARG A 548 92.659 19.630 -8.734 1.00 0.00 C ATOM 1799 CD ARG A 548 91.770 20.573 -7.941 1.00 0.00 C ATOM 1800 NE ARG A 548 92.159 21.969 -8.116 1.00 0.00 N ATOM 1801 CZ ARG A 548 91.312 22.989 -8.017 1.00 0.00 C ATOM 1802 NH1 ARG A 548 90.033 22.768 -7.741 1.00 0.00 N ATOM 1803 NH2 ARG A 548 91.742 24.230 -8.195 1.00 0.00 N ATOM 0 H ARG A 548 92.090 16.673 -11.006 1.00 0.00 H new ATOM 0 HA ARG A 548 91.884 17.292 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 548 92.437 18.654 -10.625 1.00 0.00 H new ATOM 0 HB3 ARG A 548 90.958 19.359 -10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 548 93.192 18.969 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 548 93.412 20.205 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 548 90.734 20.444 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 548 91.818 20.313 -6.884 1.00 0.00 H new ATOM 0 HE ARG A 548 93.136 22.174 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 548 89.698 21.814 -7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 548 89.385 23.552 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 548 92.724 24.404 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 548 91.091 25.011 -8.119 1.00 0.00 H new ATOM 1817 N GLU A 549 89.456 17.002 -7.827 1.00 0.00 N ATOM 1818 CA GLU A 549 88.027 16.908 -7.553 1.00 0.00 C ATOM 1819 C GLU A 549 87.318 18.210 -7.913 1.00 0.00 C ATOM 1820 O GLU A 549 87.318 19.164 -7.136 1.00 0.00 O ATOM 1821 CB GLU A 549 87.792 16.571 -6.080 1.00 0.00 C ATOM 1822 CG GLU A 549 88.694 15.464 -5.560 1.00 0.00 C ATOM 1823 CD GLU A 549 87.928 14.387 -4.817 1.00 0.00 C ATOM 1824 OE1 GLU A 549 88.422 13.240 -4.758 1.00 0.00 O ATOM 1825 OE2 GLU A 549 86.835 14.688 -4.294 1.00 0.00 O ATOM 0 H GLU A 549 90.054 16.755 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 549 87.613 16.110 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 549 87.949 17.468 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 549 86.752 16.275 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 549 89.228 15.013 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 549 89.445 15.894 -4.897 1.00 0.00 H new ATOM 1832 N LYS A 550 86.716 18.239 -9.097 1.00 0.00 N ATOM 1833 CA LYS A 550 86.003 19.422 -9.566 1.00 0.00 C ATOM 1834 C LYS A 550 85.064 19.066 -10.714 1.00 0.00 C ATOM 1835 O LYS A 550 85.097 19.695 -11.773 1.00 0.00 O ATOM 1836 CB LYS A 550 86.995 20.496 -10.016 1.00 0.00 C ATOM 1837 CG LYS A 550 86.408 21.897 -10.035 1.00 0.00 C ATOM 1838 CD LYS A 550 86.919 22.727 -8.869 1.00 0.00 C ATOM 1839 CE LYS A 550 86.177 22.396 -7.585 1.00 0.00 C ATOM 1840 NZ LYS A 550 86.931 22.838 -6.379 1.00 0.00 N ATOM 0 H LYS A 550 86.708 17.456 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 550 85.409 19.812 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 550 87.859 20.482 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 550 87.357 20.249 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 550 86.665 22.388 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 550 85.320 21.838 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 550 87.985 22.546 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 550 86.802 23.787 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 550 85.198 22.875 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 550 86.005 21.321 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 86.392 22.594 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 87.855 22.361 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 87.073 23.868 -6.417 1.00 0.00 H new ATOM 1854 N LYS A 551 84.233 18.052 -10.498 1.00 0.00 N ATOM 1855 CA LYS A 551 83.287 17.609 -11.515 1.00 0.00 C ATOM 1856 C LYS A 551 83.995 16.806 -12.601 1.00 0.00 C ATOM 1857 O LYS A 551 84.536 17.371 -13.552 1.00 0.00 O ATOM 1858 CB LYS A 551 82.576 18.812 -12.138 1.00 0.00 C ATOM 1859 CG LYS A 551 82.135 19.851 -11.120 1.00 0.00 C ATOM 1860 CD LYS A 551 81.576 21.092 -11.797 1.00 0.00 C ATOM 1861 CE LYS A 551 81.452 22.249 -10.821 1.00 0.00 C ATOM 1862 NZ LYS A 551 80.286 22.084 -9.911 1.00 0.00 N ATOM 0 H LYS A 551 84.196 17.522 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 551 82.548 16.967 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 551 83.242 19.283 -12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 551 81.703 18.462 -12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 551 81.378 19.421 -10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 551 82.981 20.128 -10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 551 82.225 21.380 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 551 80.598 20.867 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 551 82.365 22.326 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 551 81.351 23.182 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 80.236 22.894 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 79.412 22.036 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 80.394 21.206 -9.364 1.00 0.00 H new ATOM 1876 N ARG A 552 83.987 15.486 -12.454 1.00 0.00 N ATOM 1877 CA ARG A 552 84.630 14.607 -13.423 1.00 0.00 C ATOM 1878 C ARG A 552 83.623 13.637 -14.030 1.00 0.00 C ATOM 1879 O ARG A 552 83.642 13.379 -15.234 1.00 0.00 O ATOM 1880 CB ARG A 552 85.770 13.833 -12.762 1.00 0.00 C ATOM 1881 CG ARG A 552 87.136 14.148 -13.350 1.00 0.00 C ATOM 1882 CD ARG A 552 87.372 13.386 -14.642 1.00 0.00 C ATOM 1883 NE ARG A 552 87.928 12.056 -14.402 1.00 0.00 N ATOM 1884 CZ ARG A 552 87.724 11.015 -15.203 1.00 0.00 C ATOM 1885 NH1 ARG A 552 86.972 11.142 -16.289 1.00 0.00 N ATOM 1886 NH2 ARG A 552 88.276 9.843 -14.919 1.00 0.00 N ATOM 0 H ARG A 552 83.543 15.002 -11.674 1.00 0.00 H new ATOM 0 HA ARG A 552 85.037 15.225 -14.223 1.00 0.00 H new ATOM 0 HB2 ARG A 552 85.781 14.058 -11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 552 85.578 12.764 -12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 552 87.215 15.219 -13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 552 87.912 13.893 -12.628 1.00 0.00 H new ATOM 0 HD2 ARG A 552 86.431 13.293 -15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 552 88.052 13.953 -15.278 1.00 0.00 H new ATOM 0 HE ARG A 552 88.506 11.919 -13.573 1.00 0.00 H new ATOM 0 HH11 ARG A 552 86.547 12.042 -16.513 1.00 0.00 H new ATOM 0 HH12 ARG A 552 86.819 10.340 -16.900 1.00 0.00 H new ATOM 0 HH21 ARG A 552 88.856 9.741 -14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 552 88.120 9.044 -15.533 1.00 0.00 H new ATOM 1900 N GLY A 553 82.747 13.105 -13.190 1.00 0.00 N ATOM 1901 CA GLY A 553 81.744 12.169 -13.661 1.00 0.00 C ATOM 1902 C GLY A 553 80.890 12.742 -14.774 1.00 0.00 C ATOM 1903 O GLY A 553 81.389 13.030 -15.863 1.00 0.00 O ATOM 0 H GLY A 553 82.712 13.304 -12.190 1.00 0.00 H new ATOM 0 HA2 GLY A 553 82.236 11.263 -14.015 1.00 0.00 H new ATOM 0 HA3 GLY A 553 81.103 11.879 -12.828 1.00 0.00 H new ATOM 1907 N THR A 554 79.599 12.908 -14.502 1.00 0.00 N ATOM 1908 CA THR A 554 78.673 13.450 -15.490 1.00 0.00 C ATOM 1909 C THR A 554 78.898 12.811 -16.857 1.00 0.00 C ATOM 1910 O THR A 554 79.072 13.505 -17.859 1.00 0.00 O ATOM 1911 CB THR A 554 78.815 14.980 -15.620 1.00 0.00 C ATOM 1912 OG1 THR A 554 79.856 15.481 -14.772 1.00 0.00 O ATOM 1913 CG2 THR A 554 77.515 15.679 -15.251 1.00 0.00 C ATOM 0 H THR A 554 79.171 12.675 -13.606 1.00 0.00 H new ATOM 0 HA THR A 554 77.667 13.218 -15.141 1.00 0.00 H new ATOM 0 HB THR A 554 79.064 15.187 -16.661 1.00 0.00 H new ATOM 0 HG1 THR A 554 79.924 16.453 -14.877 1.00 0.00 H new ATOM 0 HG21 THR A 554 77.641 16.757 -15.351 1.00 0.00 H new ATOM 0 HG22 THR A 554 76.720 15.343 -15.917 1.00 0.00 H new ATOM 0 HG23 THR A 554 77.252 15.438 -14.221 1.00 0.00 H new ATOM 1921 N GLU A 555 78.896 11.482 -16.889 1.00 0.00 N ATOM 1922 CA GLU A 555 79.103 10.746 -18.132 1.00 0.00 C ATOM 1923 C GLU A 555 79.093 9.243 -17.882 1.00 0.00 C ATOM 1924 O GLU A 555 79.887 8.729 -17.093 1.00 0.00 O ATOM 1925 CB GLU A 555 80.428 11.159 -18.775 1.00 0.00 C ATOM 1926 CG GLU A 555 81.577 11.253 -17.786 1.00 0.00 C ATOM 1927 CD GLU A 555 82.724 10.324 -18.133 1.00 0.00 C ATOM 1928 OE1 GLU A 555 83.505 9.979 -17.222 1.00 0.00 O ATOM 1929 OE2 GLU A 555 82.842 9.941 -19.316 1.00 0.00 O ATOM 0 H GLU A 555 78.753 10.893 -16.069 1.00 0.00 H new ATOM 0 HA GLU A 555 78.285 10.988 -18.811 1.00 0.00 H new ATOM 0 HB2 GLU A 555 80.686 10.439 -19.552 1.00 0.00 H new ATOM 0 HB3 GLU A 555 80.300 12.125 -19.264 1.00 0.00 H new ATOM 0 HG2 GLU A 555 81.942 12.280 -17.756 1.00 0.00 H new ATOM 0 HG3 GLU A 555 81.212 11.015 -16.787 1.00 0.00 H new ATOM 1936 N LYS A 556 78.190 8.543 -18.558 1.00 0.00 N ATOM 1937 CA LYS A 556 78.076 7.097 -18.409 1.00 0.00 C ATOM 1938 C LYS A 556 78.660 6.376 -19.620 1.00 0.00 C ATOM 1939 O LYS A 556 78.043 6.333 -20.685 1.00 0.00 O ATOM 1940 CB LYS A 556 76.611 6.699 -18.216 1.00 0.00 C ATOM 1941 CG LYS A 556 76.311 6.133 -16.839 1.00 0.00 C ATOM 1942 CD LYS A 556 75.359 4.951 -16.921 1.00 0.00 C ATOM 1943 CE LYS A 556 75.930 3.838 -17.785 1.00 0.00 C ATOM 1944 NZ LYS A 556 74.942 3.350 -18.788 1.00 0.00 N ATOM 0 H LYS A 556 77.526 8.953 -19.215 1.00 0.00 H new ATOM 0 HA LYS A 556 78.644 6.800 -17.527 1.00 0.00 H new ATOM 0 HB2 LYS A 556 75.981 7.572 -18.386 1.00 0.00 H new ATOM 0 HB3 LYS A 556 76.342 5.960 -18.970 1.00 0.00 H new ATOM 0 HG2 LYS A 556 77.240 5.821 -16.362 1.00 0.00 H new ATOM 0 HG3 LYS A 556 75.875 6.910 -16.211 1.00 0.00 H new ATOM 0 HD2 LYS A 556 75.161 4.571 -15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 556 74.404 5.279 -17.332 1.00 0.00 H new ATOM 0 HE2 LYS A 556 76.821 4.198 -18.299 1.00 0.00 H new ATOM 0 HE3 LYS A 556 76.242 3.009 -17.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 75.370 2.592 -19.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 74.102 2.982 -18.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 74.663 4.135 -19.411 1.00 0.00 H new ATOM 1958 N LEU A 557 79.849 5.809 -19.448 1.00 0.00 N ATOM 1959 CA LEU A 557 80.516 5.086 -20.525 1.00 0.00 C ATOM 1960 C LEU A 557 80.375 3.579 -20.331 1.00 0.00 C ATOM 1961 O LEU A 557 80.431 3.082 -19.206 1.00 0.00 O ATOM 1962 CB LEU A 557 81.997 5.465 -20.581 1.00 0.00 C ATOM 1963 CG LEU A 557 82.803 5.110 -19.330 1.00 0.00 C ATOM 1964 CD1 LEU A 557 84.008 4.257 -19.694 1.00 0.00 C ATOM 1965 CD2 LEU A 557 83.241 6.373 -18.604 1.00 0.00 C ATOM 0 H LEU A 557 80.371 5.836 -18.572 1.00 0.00 H new ATOM 0 HA LEU A 557 80.041 5.363 -21.466 1.00 0.00 H new ATOM 0 HB2 LEU A 557 82.451 4.970 -21.440 1.00 0.00 H new ATOM 0 HB3 LEU A 557 82.076 6.538 -20.753 1.00 0.00 H new ATOM 0 HG LEU A 557 82.165 4.532 -18.662 1.00 0.00 H new ATOM 0 HD11 LEU A 557 84.569 4.015 -18.791 1.00 0.00 H new ATOM 0 HD12 LEU A 557 83.671 3.336 -20.170 1.00 0.00 H new ATOM 0 HD13 LEU A 557 84.649 4.808 -20.382 1.00 0.00 H new ATOM 0 HD21 LEU A 557 83.813 6.103 -17.716 1.00 0.00 H new ATOM 0 HD22 LEU A 557 83.862 6.977 -19.266 1.00 0.00 H new ATOM 0 HD23 LEU A 557 82.362 6.946 -18.308 1.00 0.00 H new ATOM 1977 N ILE A 558 80.195 2.856 -21.430 1.00 0.00 N ATOM 1978 CA ILE A 558 80.049 1.407 -21.373 1.00 0.00 C ATOM 1979 C ILE A 558 81.170 0.778 -20.552 1.00 0.00 C ATOM 1980 O ILE A 558 82.251 1.351 -20.421 1.00 0.00 O ATOM 1981 CB ILE A 558 80.047 0.783 -22.781 1.00 0.00 C ATOM 1982 CG1 ILE A 558 81.316 1.177 -23.538 1.00 0.00 C ATOM 1983 CG2 ILE A 558 78.808 1.217 -23.549 1.00 0.00 C ATOM 1984 CD1 ILE A 558 81.430 0.533 -24.902 1.00 0.00 C ATOM 0 H ILE A 558 80.147 3.249 -22.370 1.00 0.00 H new ATOM 0 HA ILE A 558 79.090 1.204 -20.896 1.00 0.00 H new ATOM 0 HB ILE A 558 80.028 -0.302 -22.683 1.00 0.00 H new ATOM 0 HG12 ILE A 558 81.339 2.261 -23.654 1.00 0.00 H new ATOM 0 HG13 ILE A 558 82.186 0.902 -22.941 1.00 0.00 H new ATOM 0 HG21 ILE A 558 78.820 0.768 -24.542 1.00 0.00 H new ATOM 0 HG22 ILE A 558 77.916 0.891 -23.014 1.00 0.00 H new ATOM 0 HG23 ILE A 558 78.799 2.303 -23.641 1.00 0.00 H new ATOM 0 HD11 ILE A 558 82.354 0.857 -25.381 1.00 0.00 H new ATOM 0 HD12 ILE A 558 81.439 -0.551 -24.793 1.00 0.00 H new ATOM 0 HD13 ILE A 558 80.579 0.828 -25.516 1.00 0.00 H new ATOM 1996 N THR A 559 80.905 -0.400 -19.998 1.00 0.00 N ATOM 1997 CA THR A 559 81.894 -1.100 -19.188 1.00 0.00 C ATOM 1998 C THR A 559 82.175 -0.344 -17.894 1.00 0.00 C ATOM 1999 O THR A 559 82.632 0.800 -17.919 1.00 0.00 O ATOM 2000 CB THR A 559 83.215 -1.291 -19.958 1.00 0.00 C ATOM 2001 OG1 THR A 559 83.083 -0.899 -21.330 1.00 0.00 O ATOM 2002 CG2 THR A 559 83.662 -2.744 -19.914 1.00 0.00 C ATOM 0 H THR A 559 80.015 -0.889 -20.095 1.00 0.00 H new ATOM 0 HA THR A 559 81.477 -2.079 -18.950 1.00 0.00 H new ATOM 0 HB THR A 559 83.958 -0.659 -19.472 1.00 0.00 H new ATOM 0 HG1 THR A 559 83.938 -1.030 -21.791 1.00 0.00 H new ATOM 0 HG21 THR A 559 84.596 -2.854 -20.464 1.00 0.00 H new ATOM 0 HG22 THR A 559 83.813 -3.047 -18.878 1.00 0.00 H new ATOM 0 HG23 THR A 559 82.897 -3.374 -20.368 1.00 0.00 H new ATOM 2010 N LYS A 560 81.897 -0.987 -16.766 1.00 0.00 N ATOM 2011 CA LYS A 560 82.117 -0.375 -15.461 1.00 0.00 C ATOM 2012 C LYS A 560 83.497 0.271 -15.383 1.00 0.00 C ATOM 2013 O LYS A 560 84.464 -0.359 -14.956 1.00 0.00 O ATOM 2014 CB LYS A 560 81.967 -1.419 -14.353 1.00 0.00 C ATOM 2015 CG LYS A 560 81.776 -0.818 -12.970 1.00 0.00 C ATOM 2016 CD LYS A 560 80.607 -1.462 -12.241 1.00 0.00 C ATOM 2017 CE LYS A 560 81.076 -2.534 -11.270 1.00 0.00 C ATOM 2018 NZ LYS A 560 82.340 -3.179 -11.722 1.00 0.00 N ATOM 0 H LYS A 560 81.518 -1.933 -16.729 1.00 0.00 H new ATOM 0 HA LYS A 560 81.366 0.403 -15.324 1.00 0.00 H new ATOM 0 HB2 LYS A 560 81.115 -2.059 -14.582 1.00 0.00 H new ATOM 0 HB3 LYS A 560 82.851 -2.056 -14.344 1.00 0.00 H new ATOM 0 HG2 LYS A 560 82.687 -0.948 -12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 560 81.605 0.255 -13.058 1.00 0.00 H new ATOM 0 HD2 LYS A 560 80.050 -0.698 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 560 79.922 -1.901 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 560 81.226 -2.091 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 560 80.300 -3.292 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 82.509 -4.040 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 82.262 -3.429 -12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 83.133 -2.519 -11.590 1.00 0.00 H new ATOM 2032 N ALA A 561 83.580 1.531 -15.800 1.00 0.00 N ATOM 2033 CA ALA A 561 84.841 2.262 -15.778 1.00 0.00 C ATOM 2034 C ALA A 561 84.867 3.272 -14.637 1.00 0.00 C ATOM 2035 O ALA A 561 85.940 3.438 -14.019 1.00 0.00 O ATOM 2036 CB ALA A 561 85.088 2.964 -17.105 1.00 0.00 C ATOM 2037 OXT ALA A 561 83.815 3.890 -14.370 1.00 0.00 O ATOM 0 H ALA A 561 82.789 2.066 -16.157 1.00 0.00 H new ATOM 0 HA ALA A 561 85.639 1.537 -15.617 1.00 0.00 H new ATOM 0 HB1 ALA A 561 86.035 3.502 -17.061 1.00 0.00 H new ATOM 0 HB2 ALA A 561 85.127 2.225 -17.906 1.00 0.00 H new ATOM 0 HB3 ALA A 561 84.279 3.669 -17.300 1.00 0.00 H new TER 2043 ALA A 561