USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 530 GLN : amide:sc= -3.24! C(o=-3.2!,f=-5.7!) USER MOD Set 1.2: A 534 GLN :FLIP amide:sc= 0 F(o=-3.8,f=-3.2) USER MOD Set 2.1: A 514 ASN :FLIP amide:sc= 0.158 F(o=-1.2,f=0.33) USER MOD Set 2.2: A 518 CYS SG : rot -34:sc= 0.172 USER MOD Set 3.1: A 474 THR OG1 : rot 12:sc= -0.148 USER MOD Set 3.2: A 510 TYR OH : rot 44:sc= 1.21 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) USER MOD Single : A 439 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 440 HIS : no HD1:sc=-0.00247 X(o=-0.0025,f=-0.016) USER MOD Single : A 441 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.65) USER MOD Single : A 442 HIS : no HD1:sc= -0.628 X(o=-0.63,f=-0.26) USER MOD Single : A 443 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.075) USER MOD Single : A 444 SER OG : rot 72:sc= 0.108 USER MOD Single : A 445 ASN : amide:sc= -0.0337 K(o=-0.034,f=-0.78) USER MOD Single : A 447 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 SER OG : rot 80:sc= -1.88! USER MOD Single : A 458 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.168) USER MOD Single : A 461 SER OG : rot -23:sc= -6.53! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 479 SER OG : rot -12:sc= 0.922 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 120:sc= -3.28! USER MOD Single : A 494 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-5.4!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 504 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.2) USER MOD Single : A 508 ASN :FLIP amide:sc= -0.638 F(o=-1.3,f=-0.64) USER MOD Single : A 511 THR OG1 : rot -92:sc= 0.0369 USER MOD Single : A 515 LYS NZ :NH3+ 169:sc= -0.424 (180deg=-0.919) USER MOD Single : A 516 LYS NZ :NH3+ 146:sc= -0.056 (180deg=-0.302) USER MOD Single : A 517 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-5.3!) USER MOD Single : A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.16) USER MOD Single : A 532 TYR OH : rot -40:sc= -1.86! USER MOD Single : A 535 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00784) USER MOD Single : A 541 GLN : amide:sc= -3.28! C(o=-3.3!,f=-9!) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.12) USER MOD Single : A 546 GLN : amide:sc= 0 K(o=0,f=-0.74) 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 41:sc= 0.34! USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 124.129 21.386 7.808 1.00 0.00 N ATOM 2 CA MET A 437 124.186 20.475 8.981 1.00 0.00 C ATOM 3 C MET A 437 125.264 19.411 8.802 1.00 0.00 C ATOM 4 O MET A 437 125.732 19.168 7.689 1.00 0.00 O ATOM 5 CB MET A 437 122.817 19.815 9.153 1.00 0.00 C ATOM 6 CG MET A 437 121.712 20.795 9.512 1.00 0.00 C ATOM 7 SD MET A 437 120.474 20.074 10.607 1.00 0.00 S ATOM 8 CE MET A 437 119.488 19.145 9.437 1.00 0.00 C ATOM 0 HA MET A 437 124.440 21.053 9.870 1.00 0.00 H new ATOM 0 HB2 MET A 437 122.551 19.302 8.229 1.00 0.00 H new ATOM 0 HB3 MET A 437 122.884 19.055 9.931 1.00 0.00 H new ATOM 0 HG2 MET A 437 122.150 21.671 9.991 1.00 0.00 H new ATOM 0 HG3 MET A 437 121.227 21.140 8.599 1.00 0.00 H new ATOM 0 HE1 MET A 437 118.678 18.640 9.964 1.00 0.00 H new ATOM 0 HE2 MET A 437 119.070 19.824 8.694 1.00 0.00 H new ATOM 0 HE3 MET A 437 120.115 18.404 8.940 1.00 0.00 H new ATOM 20 N HIS A 438 125.653 18.778 9.903 1.00 0.00 N ATOM 21 CA HIS A 438 126.675 17.739 9.869 1.00 0.00 C ATOM 22 C HIS A 438 126.203 16.543 9.047 1.00 0.00 C ATOM 23 O HIS A 438 125.034 16.458 8.673 1.00 0.00 O ATOM 24 CB HIS A 438 127.023 17.289 11.288 1.00 0.00 C ATOM 25 CG HIS A 438 128.222 17.980 11.861 1.00 0.00 C ATOM 26 ND1 HIS A 438 128.159 18.811 12.959 1.00 0.00 N ATOM 27 CD2 HIS A 438 129.523 17.958 11.484 1.00 0.00 C ATOM 28 CE1 HIS A 438 129.367 19.271 13.232 1.00 0.00 C ATOM 29 NE2 HIS A 438 130.212 18.768 12.352 1.00 0.00 N ATOM 0 H HIS A 438 125.275 18.967 10.831 1.00 0.00 H new ATOM 0 HA HIS A 438 127.566 18.155 9.399 1.00 0.00 H new ATOM 0 HB2 HIS A 438 126.166 17.469 11.937 1.00 0.00 H new ATOM 0 HB3 HIS A 438 127.201 16.214 11.285 1.00 0.00 H new ATOM 0 HD2 HIS A 438 129.940 17.406 10.655 1.00 0.00 H new ATOM 0 HE1 HIS A 438 129.620 19.944 14.038 1.00 0.00 H new ATOM 0 HE2 HIS A 438 131.215 18.951 12.322 1.00 0.00 H new ATOM 38 N HIS A 439 127.120 15.623 8.770 1.00 0.00 N ATOM 39 CA HIS A 439 126.793 14.432 7.995 1.00 0.00 C ATOM 40 C HIS A 439 126.841 14.725 6.499 1.00 0.00 C ATOM 41 O HIS A 439 125.805 14.791 5.836 1.00 0.00 O ATOM 42 CB HIS A 439 125.406 13.914 8.379 1.00 0.00 C ATOM 43 CG HIS A 439 125.255 12.433 8.220 1.00 0.00 C ATOM 44 ND1 HIS A 439 125.640 11.756 7.083 1.00 0.00 N ATOM 45 CD2 HIS A 439 124.756 11.497 9.061 1.00 0.00 C ATOM 46 CE1 HIS A 439 125.385 10.469 7.230 1.00 0.00 C ATOM 47 NE2 HIS A 439 124.849 10.285 8.423 1.00 0.00 N ATOM 0 H HIS A 439 128.093 15.679 9.070 1.00 0.00 H new ATOM 0 HA HIS A 439 127.536 13.667 8.221 1.00 0.00 H new ATOM 0 HB2 HIS A 439 125.201 14.183 9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 439 124.657 14.415 7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 439 124.359 11.671 10.050 1.00 0.00 H new ATOM 0 HE1 HIS A 439 125.581 9.698 6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 439 124.552 9.388 8.808 1.00 0.00 H new ATOM 56 N HIS A 440 128.048 14.897 5.971 1.00 0.00 N ATOM 57 CA HIS A 440 128.229 15.179 4.551 1.00 0.00 C ATOM 58 C HIS A 440 128.649 13.919 3.800 1.00 0.00 C ATOM 59 O HIS A 440 129.326 13.052 4.353 1.00 0.00 O ATOM 60 CB HIS A 440 129.274 16.279 4.355 1.00 0.00 C ATOM 61 CG HIS A 440 129.218 16.921 3.002 1.00 0.00 C ATOM 62 ND1 HIS A 440 130.313 17.015 2.169 1.00 0.00 N ATOM 63 CD2 HIS A 440 128.191 17.499 2.337 1.00 0.00 C ATOM 64 CE1 HIS A 440 129.961 17.624 1.050 1.00 0.00 C ATOM 65 NE2 HIS A 440 128.679 17.927 1.127 1.00 0.00 N ATOM 0 H HIS A 440 128.916 14.846 6.505 1.00 0.00 H new ATOM 0 HA HIS A 440 127.276 15.522 4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 440 129.132 17.044 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 440 130.267 15.857 4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 440 127.176 17.604 2.692 1.00 0.00 H new ATOM 0 HE1 HIS A 440 130.612 17.837 0.215 1.00 0.00 H new ATOM 0 HE2 HIS A 440 128.138 18.402 0.405 1.00 0.00 H new ATOM 74 N HIS A 441 128.238 13.821 2.540 1.00 0.00 N ATOM 75 CA HIS A 441 128.567 12.663 1.717 1.00 0.00 C ATOM 76 C HIS A 441 127.670 11.481 2.070 1.00 0.00 C ATOM 77 O HIS A 441 127.057 11.453 3.138 1.00 0.00 O ATOM 78 CB HIS A 441 130.037 12.281 1.899 1.00 0.00 C ATOM 79 CG HIS A 441 130.830 12.323 0.628 1.00 0.00 C ATOM 80 ND1 HIS A 441 130.278 12.080 -0.612 1.00 0.00 N ATOM 81 CD2 HIS A 441 132.143 12.580 0.408 1.00 0.00 C ATOM 82 CE1 HIS A 441 131.215 12.185 -1.539 1.00 0.00 C ATOM 83 NE2 HIS A 441 132.354 12.488 -0.946 1.00 0.00 N ATOM 0 H HIS A 441 127.677 14.529 2.067 1.00 0.00 H new ATOM 0 HA HIS A 441 128.399 12.926 0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 441 130.492 12.956 2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 441 130.093 11.277 2.320 1.00 0.00 H new ATOM 0 HD2 HIS A 441 132.885 12.813 1.158 1.00 0.00 H new ATOM 0 HE1 HIS A 441 131.072 12.046 -2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 441 133.247 12.631 -1.417 1.00 0.00 H new ATOM 92 N HIS A 442 127.596 10.508 1.169 1.00 0.00 N ATOM 93 CA HIS A 442 126.770 9.327 1.391 1.00 0.00 C ATOM 94 C HIS A 442 127.563 8.050 1.135 1.00 0.00 C ATOM 95 O HIS A 442 128.363 7.980 0.202 1.00 0.00 O ATOM 96 CB HIS A 442 125.535 9.365 0.488 1.00 0.00 C ATOM 97 CG HIS A 442 124.248 9.185 1.232 1.00 0.00 C ATOM 98 ND1 HIS A 442 123.027 9.054 0.604 1.00 0.00 N ATOM 99 CD2 HIS A 442 123.996 9.113 2.560 1.00 0.00 C ATOM 100 CE1 HIS A 442 122.080 8.910 1.515 1.00 0.00 C ATOM 101 NE2 HIS A 442 122.642 8.941 2.709 1.00 0.00 N ATOM 0 H HIS A 442 128.096 10.513 0.280 1.00 0.00 H new ATOM 0 HA HIS A 442 126.450 9.330 2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 442 125.510 10.318 -0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 442 125.622 8.584 -0.267 1.00 0.00 H new ATOM 0 HD2 HIS A 442 124.725 9.179 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 442 121.026 8.788 1.316 1.00 0.00 H new ATOM 0 HE2 HIS A 442 122.150 8.852 3.598 1.00 0.00 H new ATOM 110 N HIS A 443 127.335 7.043 1.970 1.00 0.00 N ATOM 111 CA HIS A 443 128.027 5.766 1.836 1.00 0.00 C ATOM 112 C HIS A 443 127.516 4.996 0.624 1.00 0.00 C ATOM 113 O HIS A 443 127.016 3.878 0.750 1.00 0.00 O ATOM 114 CB HIS A 443 127.848 4.929 3.102 1.00 0.00 C ATOM 115 CG HIS A 443 129.078 4.861 3.952 1.00 0.00 C ATOM 116 ND1 HIS A 443 129.040 4.841 5.330 1.00 0.00 N ATOM 117 CD2 HIS A 443 130.389 4.810 3.612 1.00 0.00 C ATOM 118 CE1 HIS A 443 130.274 4.782 5.802 1.00 0.00 C ATOM 119 NE2 HIS A 443 131.109 4.762 4.780 1.00 0.00 N ATOM 0 H HIS A 443 126.676 7.086 2.747 1.00 0.00 H new ATOM 0 HA HIS A 443 129.088 5.969 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 443 127.031 5.346 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 443 127.554 3.918 2.821 1.00 0.00 H new ATOM 0 HD2 HIS A 443 130.792 4.808 2.610 1.00 0.00 H new ATOM 0 HE1 HIS A 443 130.551 4.755 6.845 1.00 0.00 H new ATOM 0 HE2 HIS A 443 132.126 4.718 4.847 1.00 0.00 H new ATOM 128 N SER A 444 127.646 5.603 -0.552 1.00 0.00 N ATOM 129 CA SER A 444 127.199 4.975 -1.789 1.00 0.00 C ATOM 130 C SER A 444 127.697 3.536 -1.877 1.00 0.00 C ATOM 131 O SER A 444 128.898 3.292 -2.004 1.00 0.00 O ATOM 132 CB SER A 444 127.690 5.774 -2.997 1.00 0.00 C ATOM 133 OG SER A 444 128.372 6.949 -2.590 1.00 0.00 O ATOM 0 H SER A 444 128.057 6.529 -0.673 1.00 0.00 H new ATOM 0 HA SER A 444 126.109 4.964 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 444 128.354 5.155 -3.600 1.00 0.00 H new ATOM 0 HB3 SER A 444 126.843 6.042 -3.628 1.00 0.00 H new ATOM 0 HG SER A 444 129.241 6.707 -2.207 1.00 0.00 H new ATOM 139 N ASN A 445 126.769 2.587 -1.810 1.00 0.00 N ATOM 140 CA ASN A 445 127.117 1.172 -1.882 1.00 0.00 C ATOM 141 C ASN A 445 127.746 0.833 -3.230 1.00 0.00 C ATOM 142 O ASN A 445 128.969 0.852 -3.376 1.00 0.00 O ATOM 143 CB ASN A 445 125.877 0.307 -1.650 1.00 0.00 C ATOM 144 CG ASN A 445 125.676 -0.031 -0.186 1.00 0.00 C ATOM 145 OD1 ASN A 445 126.212 0.639 0.697 1.00 0.00 O ATOM 146 ND2 ASN A 445 124.902 -1.077 0.080 1.00 0.00 N ATOM 0 H ASN A 445 125.771 2.772 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 445 127.847 0.963 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 445 124.997 0.830 -2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 445 125.968 -0.615 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 445 124.732 -1.353 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 445 124.477 -1.604 -0.683 1.00 0.00 H new ATOM 153 N ALA A 446 126.904 0.524 -4.209 1.00 0.00 N ATOM 154 CA ALA A 446 127.379 0.180 -5.544 1.00 0.00 C ATOM 155 C ALA A 446 126.226 -0.272 -6.433 1.00 0.00 C ATOM 156 O ALA A 446 126.151 0.098 -7.604 1.00 0.00 O ATOM 157 CB ALA A 446 128.446 -0.902 -5.480 1.00 0.00 C ATOM 0 H ALA A 446 125.890 0.505 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 446 127.821 1.076 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 446 128.783 -1.140 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 446 129.290 -0.546 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 446 128.030 -1.796 -5.016 1.00 0.00 H new ATOM 163 N THR A 447 125.327 -1.072 -5.868 1.00 0.00 N ATOM 164 CA THR A 447 124.177 -1.571 -6.611 1.00 0.00 C ATOM 165 C THR A 447 123.432 -0.428 -7.291 1.00 0.00 C ATOM 166 O THR A 447 123.702 0.744 -7.026 1.00 0.00 O ATOM 167 CB THR A 447 123.201 -2.330 -5.693 1.00 0.00 C ATOM 168 OG1 THR A 447 123.031 -1.656 -4.441 1.00 0.00 O ATOM 169 CG2 THR A 447 123.700 -3.741 -5.417 1.00 0.00 C ATOM 0 H THR A 447 125.373 -1.388 -4.899 1.00 0.00 H new ATOM 0 HA THR A 447 124.559 -2.257 -7.367 1.00 0.00 H new ATOM 0 HB THR A 447 122.245 -2.371 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 447 122.405 -2.160 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 447 122.993 -4.256 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 447 123.791 -4.285 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 447 124.674 -3.694 -4.929 1.00 0.00 H new ATOM 177 N GLY A 448 122.495 -0.774 -8.167 1.00 0.00 N ATOM 178 CA GLY A 448 121.728 0.236 -8.869 1.00 0.00 C ATOM 179 C GLY A 448 120.330 -0.238 -9.213 1.00 0.00 C ATOM 180 O GLY A 448 119.355 0.190 -8.594 1.00 0.00 O ATOM 0 H GLY A 448 122.254 -1.736 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 448 121.664 1.133 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 448 122.250 0.514 -9.784 1.00 0.00 H new ATOM 184 N PRO A 449 120.202 -1.131 -10.204 1.00 0.00 N ATOM 185 CA PRO A 449 118.905 -1.667 -10.627 1.00 0.00 C ATOM 186 C PRO A 449 118.167 -2.359 -9.485 1.00 0.00 C ATOM 187 O PRO A 449 118.283 -3.571 -9.300 1.00 0.00 O ATOM 188 CB PRO A 449 119.262 -2.676 -11.726 1.00 0.00 C ATOM 189 CG PRO A 449 120.720 -2.947 -11.558 1.00 0.00 C ATOM 190 CD PRO A 449 121.312 -1.691 -10.987 1.00 0.00 C ATOM 0 HA PRO A 449 118.234 -0.878 -10.966 1.00 0.00 H new ATOM 0 HB2 PRO A 449 118.678 -3.591 -11.624 1.00 0.00 H new ATOM 0 HB3 PRO A 449 119.049 -2.271 -12.715 1.00 0.00 H new ATOM 0 HG2 PRO A 449 120.885 -3.794 -10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 449 121.183 -3.197 -12.513 1.00 0.00 H new ATOM 0 HD2 PRO A 449 122.181 -1.901 -10.363 1.00 0.00 H new ATOM 0 HD3 PRO A 449 121.640 -1.007 -11.770 1.00 0.00 H new ATOM 198 N GLN A 450 117.409 -1.579 -8.723 1.00 0.00 N ATOM 199 CA GLN A 450 116.650 -2.112 -7.597 1.00 0.00 C ATOM 200 C GLN A 450 115.674 -1.070 -7.059 1.00 0.00 C ATOM 201 O GLN A 450 116.083 -0.051 -6.502 1.00 0.00 O ATOM 202 CB GLN A 450 117.594 -2.571 -6.485 1.00 0.00 C ATOM 203 CG GLN A 450 117.167 -3.873 -5.826 1.00 0.00 C ATOM 204 CD GLN A 450 116.298 -3.651 -4.605 1.00 0.00 C ATOM 205 OE1 GLN A 450 116.781 -3.239 -3.549 1.00 0.00 O ATOM 206 NE2 GLN A 450 115.005 -3.922 -4.742 1.00 0.00 N ATOM 0 H GLN A 450 117.303 -0.574 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 450 116.079 -2.970 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.596 -2.693 -6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 450 117.654 -1.791 -5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 450 116.623 -4.480 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 450 118.054 -4.438 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 450 114.647 -4.261 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 450 114.370 -3.791 -3.955 1.00 0.00 H new ATOM 215 N PHE A 451 114.384 -1.333 -7.234 1.00 0.00 N ATOM 216 CA PHE A 451 113.344 -0.421 -6.771 1.00 0.00 C ATOM 217 C PHE A 451 112.966 -0.709 -5.322 1.00 0.00 C ATOM 218 O PHE A 451 112.344 -1.730 -5.026 1.00 0.00 O ATOM 219 CB PHE A 451 112.106 -0.543 -7.659 1.00 0.00 C ATOM 220 CG PHE A 451 111.463 -1.899 -7.603 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.348 -2.121 -6.811 1.00 0.00 C ATOM 222 CD2 PHE A 451 111.975 -2.953 -8.342 1.00 0.00 C ATOM 223 CE1 PHE A 451 109.756 -3.368 -6.757 1.00 0.00 C ATOM 224 CE2 PHE A 451 111.388 -4.204 -8.291 1.00 0.00 C ATOM 225 CZ PHE A 451 110.277 -4.411 -7.498 1.00 0.00 C ATOM 0 H PHE A 451 114.032 -2.173 -7.694 1.00 0.00 H new ATOM 0 HA PHE A 451 113.736 0.594 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.377 0.209 -7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.384 -0.323 -8.690 1.00 0.00 H new ATOM 0 HD1 PHE A 451 109.937 -1.309 -6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 451 112.843 -2.796 -8.965 1.00 0.00 H new ATOM 0 HE1 PHE A 451 108.887 -3.527 -6.136 1.00 0.00 H new ATOM 0 HE2 PHE A 451 111.798 -5.018 -8.871 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.816 -5.387 -7.457 1.00 0.00 H new ATOM 235 N VAL A 452 113.334 0.199 -4.423 1.00 0.00 N ATOM 236 CA VAL A 452 113.019 0.038 -3.010 1.00 0.00 C ATOM 237 C VAL A 452 111.580 -0.433 -2.836 1.00 0.00 C ATOM 238 O VAL A 452 110.644 0.363 -2.918 1.00 0.00 O ATOM 239 CB VAL A 452 113.218 1.356 -2.235 1.00 0.00 C ATOM 240 CG1 VAL A 452 114.698 1.637 -2.030 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.546 2.510 -2.962 1.00 0.00 C ATOM 0 H VAL A 452 113.849 1.050 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 452 113.702 -0.710 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 452 112.752 1.253 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 452 114.818 2.571 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 452 115.148 0.822 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 452 115.190 1.719 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 452 112.697 3.432 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 452 112.980 2.616 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 452 111.478 2.311 -3.052 1.00 0.00 H new ATOM 251 N SER A 453 111.406 -1.734 -2.612 1.00 0.00 N ATOM 252 CA SER A 453 110.073 -2.315 -2.444 1.00 0.00 C ATOM 253 C SER A 453 109.419 -1.947 -1.105 1.00 0.00 C ATOM 254 O SER A 453 108.447 -2.586 -0.703 1.00 0.00 O ATOM 255 CB SER A 453 110.150 -3.836 -2.579 1.00 0.00 C ATOM 256 OG SER A 453 110.070 -4.467 -1.312 1.00 0.00 O ATOM 0 H SER A 453 112.170 -2.406 -2.542 1.00 0.00 H new ATOM 0 HA SER A 453 109.445 -1.895 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.339 -4.189 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.084 -4.114 -3.068 1.00 0.00 H new ATOM 0 HG SER A 453 109.134 -4.506 -1.024 1.00 0.00 H new ATOM 262 N GLY A 454 109.923 -0.909 -0.434 1.00 0.00 N ATOM 263 CA GLY A 454 109.345 -0.477 0.830 1.00 0.00 C ATOM 264 C GLY A 454 108.711 -1.601 1.633 1.00 0.00 C ATOM 265 O GLY A 454 107.735 -1.377 2.344 1.00 0.00 O ATOM 0 H GLY A 454 110.724 -0.359 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.123 -0.007 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.591 0.285 0.632 1.00 0.00 H new ATOM 269 N VAL A 455 109.252 -2.809 1.514 1.00 0.00 N ATOM 270 CA VAL A 455 108.716 -3.962 2.232 1.00 0.00 C ATOM 271 C VAL A 455 107.196 -3.880 2.352 1.00 0.00 C ATOM 272 O VAL A 455 106.667 -3.229 3.255 1.00 0.00 O ATOM 273 CB VAL A 455 109.325 -4.084 3.642 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.546 -5.546 4.003 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.630 -3.304 3.733 1.00 0.00 C ATOM 0 H VAL A 455 110.061 -3.016 0.928 1.00 0.00 H new ATOM 0 HA VAL A 455 108.985 -4.845 1.652 1.00 0.00 H new ATOM 0 HB VAL A 455 108.623 -3.657 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.977 -5.613 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.593 -6.074 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.227 -6.000 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 455 111.044 -3.403 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.341 -3.698 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.441 -2.252 3.521 1.00 0.00 H new ATOM 285 N ILE A 456 106.500 -4.544 1.434 1.00 0.00 N ATOM 286 CA ILE A 456 105.042 -4.550 1.428 1.00 0.00 C ATOM 287 C ILE A 456 104.484 -5.402 2.563 1.00 0.00 C ATOM 288 O ILE A 456 104.828 -6.577 2.697 1.00 0.00 O ATOM 289 CB ILE A 456 104.491 -5.075 0.089 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.191 -4.382 -1.082 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.985 -4.862 0.015 1.00 0.00 C ATOM 292 CD1 ILE A 456 105.098 -2.873 -1.035 1.00 0.00 C ATOM 0 H ILE A 456 106.925 -5.087 0.682 1.00 0.00 H new ATOM 0 HA ILE A 456 104.723 -3.517 1.568 1.00 0.00 H new ATOM 0 HB ILE A 456 104.690 -6.145 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.241 -4.673 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.755 -4.736 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.611 -5.238 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.501 -5.397 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.764 -3.798 0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.616 -2.450 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 456 104.051 -2.572 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.560 -2.508 -0.118 1.00 0.00 H new ATOM 304 N VAL A 457 103.601 -4.812 3.364 1.00 0.00 N ATOM 305 CA VAL A 457 102.974 -5.525 4.470 1.00 0.00 C ATOM 306 C VAL A 457 101.480 -5.705 4.219 1.00 0.00 C ATOM 307 O VAL A 457 100.686 -4.800 4.478 1.00 0.00 O ATOM 308 CB VAL A 457 103.180 -4.799 5.812 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.407 -5.499 6.919 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.661 -4.724 6.151 1.00 0.00 C ATOM 0 H VAL A 457 103.304 -3.841 3.267 1.00 0.00 H new ATOM 0 HA VAL A 457 103.455 -6.501 4.530 1.00 0.00 H new ATOM 0 HB VAL A 457 102.798 -3.782 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.564 -4.973 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.344 -5.500 6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.758 -6.526 7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.791 -4.208 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.069 -5.732 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.186 -4.178 5.368 1.00 0.00 H new ATOM 320 N LYS A 458 101.103 -6.871 3.708 1.00 0.00 N ATOM 321 CA LYS A 458 99.701 -7.159 3.417 1.00 0.00 C ATOM 322 C LYS A 458 98.912 -7.428 4.694 1.00 0.00 C ATOM 323 O LYS A 458 99.169 -8.403 5.402 1.00 0.00 O ATOM 324 CB LYS A 458 99.588 -8.361 2.478 1.00 0.00 C ATOM 325 CG LYS A 458 98.162 -8.858 2.301 1.00 0.00 C ATOM 326 CD LYS A 458 98.088 -10.374 2.369 1.00 0.00 C ATOM 327 CE LYS A 458 96.779 -10.894 1.794 1.00 0.00 C ATOM 328 NZ LYS A 458 96.066 -11.785 2.750 1.00 0.00 N ATOM 0 H LYS A 458 101.746 -7.632 3.487 1.00 0.00 H new ATOM 0 HA LYS A 458 99.277 -6.280 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.994 -8.090 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.203 -9.174 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.527 -8.427 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.773 -8.516 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.925 -10.805 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.186 -10.698 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.137 -10.052 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.979 -11.438 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.062 -11.845 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.489 -12.735 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.149 -11.399 3.712 1.00 0.00 H new ATOM 342 N ILE A 459 97.931 -6.574 4.966 1.00 0.00 N ATOM 343 CA ILE A 459 97.081 -6.736 6.138 1.00 0.00 C ATOM 344 C ILE A 459 95.657 -7.077 5.726 1.00 0.00 C ATOM 345 O ILE A 459 95.027 -6.341 4.967 1.00 0.00 O ATOM 346 CB ILE A 459 97.053 -5.477 7.023 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.477 -5.011 7.329 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.286 -5.763 8.312 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.565 -4.065 8.507 1.00 0.00 C ATOM 0 H ILE A 459 97.706 -5.763 4.390 1.00 0.00 H new ATOM 0 HA ILE A 459 97.511 -7.553 6.718 1.00 0.00 H new ATOM 0 HB ILE A 459 96.542 -4.677 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.101 -5.883 7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.887 -4.519 6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.271 -4.867 8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.264 -6.054 8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.775 -6.572 8.855 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.604 -3.777 8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.968 -3.176 8.305 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.186 -4.561 9.401 1.00 0.00 H new ATOM 361 N ILE A 460 95.149 -8.183 6.243 1.00 0.00 N ATOM 362 CA ILE A 460 93.790 -8.601 5.939 1.00 0.00 C ATOM 363 C ILE A 460 93.044 -8.969 7.214 1.00 0.00 C ATOM 364 O ILE A 460 93.578 -9.662 8.080 1.00 0.00 O ATOM 365 CB ILE A 460 93.759 -9.786 4.951 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.344 -9.986 4.404 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.262 -11.052 5.618 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.466 -10.846 5.288 1.00 0.00 C ATOM 0 H ILE A 460 95.654 -8.806 6.873 1.00 0.00 H new ATOM 0 HA ILE A 460 93.293 -7.756 5.463 1.00 0.00 H new ATOM 0 HB ILE A 460 94.421 -9.558 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.872 -9.012 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.407 -10.442 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.232 -11.876 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.287 -10.902 5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.629 -11.289 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.479 -10.943 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.915 -11.834 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.372 -10.381 6.269 1.00 0.00 H new ATOM 380 N SER A 461 91.812 -8.492 7.331 1.00 0.00 N ATOM 381 CA SER A 461 91.002 -8.768 8.508 1.00 0.00 C ATOM 382 C SER A 461 89.710 -9.478 8.128 1.00 0.00 C ATOM 383 O SER A 461 89.575 -9.999 7.022 1.00 0.00 O ATOM 384 CB SER A 461 90.681 -7.471 9.251 1.00 0.00 C ATOM 385 OG SER A 461 89.806 -6.654 8.493 1.00 0.00 O ATOM 0 H SER A 461 91.353 -7.914 6.627 1.00 0.00 H new ATOM 0 HA SER A 461 91.577 -9.422 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.225 -7.703 10.214 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.603 -6.928 9.457 1.00 0.00 H new ATOM 0 HG SER A 461 89.879 -6.889 7.544 1.00 0.00 H new ATOM 391 N THR A 462 88.765 -9.498 9.060 1.00 0.00 N ATOM 392 CA THR A 462 87.482 -10.150 8.830 1.00 0.00 C ATOM 393 C THR A 462 86.323 -9.170 8.972 1.00 0.00 C ATOM 394 O THR A 462 85.179 -9.501 8.658 1.00 0.00 O ATOM 395 CB THR A 462 87.266 -11.322 9.807 1.00 0.00 C ATOM 396 OG1 THR A 462 87.724 -10.995 11.125 1.00 0.00 O ATOM 397 CG2 THR A 462 88.004 -12.565 9.335 1.00 0.00 C ATOM 0 H THR A 462 88.863 -9.071 9.981 1.00 0.00 H new ATOM 0 HA THR A 462 87.505 -10.530 7.809 1.00 0.00 H new ATOM 0 HB THR A 462 86.194 -11.516 9.835 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.572 -11.757 11.722 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.836 -13.378 10.041 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.634 -12.856 8.352 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.071 -12.353 9.273 1.00 0.00 H new ATOM 405 N GLU A 463 86.625 -7.962 9.443 1.00 0.00 N ATOM 406 CA GLU A 463 85.607 -6.931 9.626 1.00 0.00 C ATOM 407 C GLU A 463 86.048 -5.911 10.671 1.00 0.00 C ATOM 408 O GLU A 463 85.917 -4.703 10.472 1.00 0.00 O ATOM 409 CB GLU A 463 84.275 -7.558 10.044 1.00 0.00 C ATOM 410 CG GLU A 463 83.280 -7.692 8.902 1.00 0.00 C ATOM 411 CD GLU A 463 82.165 -6.668 8.977 1.00 0.00 C ATOM 412 OE1 GLU A 463 82.472 -5.458 9.032 1.00 0.00 O ATOM 413 OE2 GLU A 463 80.984 -7.074 8.976 1.00 0.00 O ATOM 0 H GLU A 463 87.568 -7.673 9.705 1.00 0.00 H new ATOM 0 HA GLU A 463 85.474 -6.419 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.464 -8.544 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.830 -6.952 10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.805 -7.583 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 463 82.850 -8.694 8.915 1.00 0.00 H new ATOM 420 N PRO A 464 86.578 -6.392 11.805 1.00 0.00 N ATOM 421 CA PRO A 464 87.040 -5.529 12.895 1.00 0.00 C ATOM 422 C PRO A 464 87.856 -4.340 12.398 1.00 0.00 C ATOM 423 O PRO A 464 87.909 -3.299 13.053 1.00 0.00 O ATOM 424 CB PRO A 464 87.907 -6.472 13.727 1.00 0.00 C ATOM 425 CG PRO A 464 87.281 -7.809 13.532 1.00 0.00 C ATOM 426 CD PRO A 464 86.765 -7.822 12.117 1.00 0.00 C ATOM 0 HA PRO A 464 86.213 -5.081 13.446 1.00 0.00 H new ATOM 0 HB2 PRO A 464 88.943 -6.464 13.388 1.00 0.00 H new ATOM 0 HB3 PRO A 464 87.913 -6.184 14.778 1.00 0.00 H new ATOM 0 HG2 PRO A 464 88.007 -8.607 13.690 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.471 -7.969 14.244 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.474 -8.292 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.830 -8.376 12.036 1.00 0.00 H new ATOM 434 N LEU A 465 88.490 -4.495 11.239 1.00 0.00 N ATOM 435 CA LEU A 465 89.297 -3.422 10.667 1.00 0.00 C ATOM 436 C LEU A 465 88.630 -2.069 10.892 1.00 0.00 C ATOM 437 O LEU A 465 87.667 -1.718 10.210 1.00 0.00 O ATOM 438 CB LEU A 465 89.515 -3.655 9.171 1.00 0.00 C ATOM 439 CG LEU A 465 90.975 -3.612 8.714 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.239 -4.686 7.671 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.321 -2.237 8.164 1.00 0.00 C ATOM 0 H LEU A 465 88.461 -5.348 10.680 1.00 0.00 H new ATOM 0 HA LEU A 465 90.265 -3.421 11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.096 -4.625 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.954 -2.903 8.616 1.00 0.00 H new ATOM 0 HG LEU A 465 91.612 -3.807 9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.282 -4.640 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.031 -5.667 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.594 -4.522 6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.363 -2.225 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.677 -2.013 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.171 -1.486 8.940 1.00 0.00 H new ATOM 453 N PRO A 466 89.137 -1.296 11.863 1.00 0.00 N ATOM 454 CA PRO A 466 88.590 0.026 12.194 1.00 0.00 C ATOM 455 C PRO A 466 88.743 1.029 11.054 1.00 0.00 C ATOM 456 O PRO A 466 87.809 1.763 10.733 1.00 0.00 O ATOM 457 CB PRO A 466 89.418 0.465 13.405 1.00 0.00 C ATOM 458 CG PRO A 466 90.670 -0.340 13.331 1.00 0.00 C ATOM 459 CD PRO A 466 90.280 -1.653 12.716 1.00 0.00 C ATOM 0 HA PRO A 466 87.518 -0.020 12.386 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.633 1.533 13.369 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.884 0.278 14.337 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.424 0.165 12.727 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.100 -0.485 14.322 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.096 -2.085 12.136 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.004 -2.387 13.473 1.00 0.00 H new ATOM 467 N GLY A 467 89.925 1.058 10.447 1.00 0.00 N ATOM 468 CA GLY A 467 90.174 1.979 9.354 1.00 0.00 C ATOM 469 C GLY A 467 91.649 2.278 9.173 1.00 0.00 C ATOM 470 O GLY A 467 92.488 1.746 9.899 1.00 0.00 O ATOM 0 H GLY A 467 90.714 0.460 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.776 1.559 8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.638 2.910 9.538 1.00 0.00 H new ATOM 474 N ARG A 468 91.969 3.137 8.209 1.00 0.00 N ATOM 475 CA ARG A 468 93.356 3.507 7.948 1.00 0.00 C ATOM 476 C ARG A 468 93.974 4.189 9.165 1.00 0.00 C ATOM 477 O ARG A 468 95.124 3.928 9.519 1.00 0.00 O ATOM 478 CB ARG A 468 93.438 4.435 6.733 1.00 0.00 C ATOM 479 CG ARG A 468 92.525 5.645 6.830 1.00 0.00 C ATOM 480 CD ARG A 468 92.348 6.321 5.479 1.00 0.00 C ATOM 481 NE ARG A 468 91.164 7.173 5.445 1.00 0.00 N ATOM 482 CZ ARG A 468 90.937 8.080 4.500 1.00 0.00 C ATOM 483 NH1 ARG A 468 91.810 8.248 3.516 1.00 0.00 N ATOM 484 NH2 ARG A 468 89.837 8.820 4.538 1.00 0.00 N ATOM 0 H ARG A 468 91.289 3.588 7.598 1.00 0.00 H new ATOM 0 HA ARG A 468 93.917 2.596 7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.467 4.775 6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.184 3.869 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.552 5.338 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 468 92.939 6.358 7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 468 93.231 6.919 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 468 92.271 5.562 4.701 1.00 0.00 H new ATOM 0 HE ARG A 468 90.472 7.067 6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 468 92.657 7.681 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 468 91.634 8.944 2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 468 89.163 8.694 5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 468 89.665 9.515 3.812 1.00 0.00 H new ATOM 498 N LYS A 469 93.202 5.068 9.798 1.00 0.00 N ATOM 499 CA LYS A 469 93.667 5.795 10.974 1.00 0.00 C ATOM 500 C LYS A 469 93.983 4.846 12.125 1.00 0.00 C ATOM 501 O LYS A 469 94.994 5.001 12.810 1.00 0.00 O ATOM 502 CB LYS A 469 92.615 6.814 11.417 1.00 0.00 C ATOM 503 CG LYS A 469 91.325 6.180 11.910 1.00 0.00 C ATOM 504 CD LYS A 469 90.168 7.165 11.862 1.00 0.00 C ATOM 505 CE LYS A 469 89.929 7.812 13.217 1.00 0.00 C ATOM 506 NZ LYS A 469 89.610 9.260 13.092 1.00 0.00 N ATOM 0 H LYS A 469 92.249 5.294 9.515 1.00 0.00 H new ATOM 0 HA LYS A 469 94.584 6.317 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 469 93.033 7.433 12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.389 7.477 10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.089 5.309 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.460 5.825 12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.377 7.937 11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 469 89.263 6.650 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 469 89.109 7.302 13.723 1.00 0.00 H new ATOM 0 HE3 LYS A 469 90.815 7.688 13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 89.454 9.664 14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 90.403 9.752 12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 88.750 9.378 12.519 1.00 0.00 H new ATOM 520 N GLN A 470 93.109 3.869 12.340 1.00 0.00 N ATOM 521 CA GLN A 470 93.297 2.903 13.416 1.00 0.00 C ATOM 522 C GLN A 470 94.355 1.867 13.046 1.00 0.00 C ATOM 523 O GLN A 470 95.209 1.525 13.864 1.00 0.00 O ATOM 524 CB GLN A 470 91.974 2.218 13.754 1.00 0.00 C ATOM 525 CG GLN A 470 91.097 3.032 14.695 1.00 0.00 C ATOM 526 CD GLN A 470 91.113 2.502 16.114 1.00 0.00 C ATOM 527 OE1 GLN A 470 90.732 1.359 16.368 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.556 3.334 17.049 1.00 0.00 N ATOM 0 H GLN A 470 92.265 3.725 11.785 1.00 0.00 H new ATOM 0 HA GLN A 470 93.647 3.442 14.296 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.426 2.027 12.831 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.180 1.249 14.208 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.435 4.068 14.695 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.073 3.031 14.323 1.00 0.00 H new ATOM 0 HE21 GLN A 470 91.862 4.273 16.793 1.00 0.00 H new ATOM 0 HE22 GLN A 470 91.590 3.034 18.023 1.00 0.00 H new ATOM 537 N VAL A 471 94.306 1.379 11.810 1.00 0.00 N ATOM 538 CA VAL A 471 95.277 0.393 11.348 1.00 0.00 C ATOM 539 C VAL A 471 96.680 0.992 11.361 1.00 0.00 C ATOM 540 O VAL A 471 97.637 0.367 11.830 1.00 0.00 O ATOM 541 CB VAL A 471 94.946 -0.100 9.925 1.00 0.00 C ATOM 542 CG1 VAL A 471 96.130 -0.835 9.315 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.712 -0.987 9.943 1.00 0.00 C ATOM 0 H VAL A 471 93.610 1.648 11.115 1.00 0.00 H new ATOM 0 HA VAL A 471 95.232 -0.458 12.027 1.00 0.00 H new ATOM 0 HB VAL A 471 94.735 0.770 9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.871 -1.173 8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.987 -0.164 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.382 -1.696 9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.493 -1.326 8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.894 -1.850 10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.863 -0.422 10.328 1.00 0.00 H new ATOM 553 N ARG A 472 96.789 2.219 10.864 1.00 0.00 N ATOM 554 CA ARG A 472 98.064 2.920 10.841 1.00 0.00 C ATOM 555 C ARG A 472 98.545 3.156 12.267 1.00 0.00 C ATOM 556 O ARG A 472 99.731 3.023 12.566 1.00 0.00 O ATOM 557 CB ARG A 472 97.935 4.247 10.092 1.00 0.00 C ATOM 558 CG ARG A 472 97.335 5.365 10.927 1.00 0.00 C ATOM 559 CD ARG A 472 97.309 6.675 10.158 1.00 0.00 C ATOM 560 NE ARG A 472 97.289 7.834 11.047 1.00 0.00 N ATOM 561 CZ ARG A 472 98.385 8.395 11.547 1.00 0.00 C ATOM 562 NH1 ARG A 472 99.579 7.903 11.250 1.00 0.00 N ATOM 563 NH2 ARG A 472 98.285 9.451 12.345 1.00 0.00 N ATOM 0 H ARG A 472 96.009 2.747 10.472 1.00 0.00 H new ATOM 0 HA ARG A 472 98.796 2.306 10.316 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.921 4.555 9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.318 4.096 9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.322 5.096 11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.914 5.489 11.842 1.00 0.00 H new ATOM 0 HD2 ARG A 472 98.183 6.731 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.431 6.699 9.513 1.00 0.00 H new ATOM 0 HE ARG A 472 96.385 8.234 11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 472 99.658 7.092 10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 472 100.419 8.335 11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 472 97.367 9.832 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 472 99.126 9.882 12.729 1.00 0.00 H new ATOM 577 N ASP A 473 97.605 3.492 13.146 1.00 0.00 N ATOM 578 CA ASP A 473 97.918 3.730 14.548 1.00 0.00 C ATOM 579 C ASP A 473 98.557 2.490 15.155 1.00 0.00 C ATOM 580 O ASP A 473 99.568 2.574 15.852 1.00 0.00 O ATOM 581 CB ASP A 473 96.649 4.100 15.320 1.00 0.00 C ATOM 582 CG ASP A 473 96.755 5.453 15.997 1.00 0.00 C ATOM 583 OD1 ASP A 473 95.882 5.768 16.833 1.00 0.00 O ATOM 584 OD2 ASP A 473 97.711 6.196 15.691 1.00 0.00 O ATOM 0 H ASP A 473 96.619 3.605 12.910 1.00 0.00 H new ATOM 0 HA ASP A 473 98.621 4.560 14.615 1.00 0.00 H new ATOM 0 HB2 ASP A 473 95.800 4.105 14.636 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.449 3.336 16.071 1.00 0.00 H new ATOM 589 N THR A 474 97.963 1.335 14.873 1.00 0.00 N ATOM 590 CA THR A 474 98.475 0.069 15.376 1.00 0.00 C ATOM 591 C THR A 474 99.889 -0.175 14.859 1.00 0.00 C ATOM 592 O THR A 474 100.873 0.033 15.574 1.00 0.00 O ATOM 593 CB THR A 474 97.572 -1.111 14.959 1.00 0.00 C ATOM 594 OG1 THR A 474 97.042 -0.926 13.642 1.00 0.00 O ATOM 595 CG2 THR A 474 96.405 -1.275 15.920 1.00 0.00 C ATOM 0 H THR A 474 97.125 1.252 14.297 1.00 0.00 H new ATOM 0 HA THR A 474 98.486 0.131 16.464 1.00 0.00 H new ATOM 0 HB THR A 474 98.199 -2.003 14.979 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.509 -0.184 13.203 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.786 -2.114 15.601 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.784 -1.465 16.924 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.807 -0.364 15.925 1.00 0.00 H new ATOM 603 N LEU A 475 99.983 -0.628 13.613 1.00 0.00 N ATOM 604 CA LEU A 475 101.277 -0.911 13.005 1.00 0.00 C ATOM 605 C LEU A 475 102.293 0.174 13.340 1.00 0.00 C ATOM 606 O LEU A 475 103.452 -0.121 13.633 1.00 0.00 O ATOM 607 CB LEU A 475 101.135 -1.035 11.487 1.00 0.00 C ATOM 608 CG LEU A 475 100.566 0.200 10.788 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.688 1.130 10.353 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.716 -0.210 9.595 1.00 0.00 C ATOM 0 H LEU A 475 99.182 -0.806 13.007 1.00 0.00 H new ATOM 0 HA LEU A 475 101.636 -1.856 13.412 1.00 0.00 H new ATOM 0 HB2 LEU A 475 102.114 -1.255 11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.493 -1.887 11.266 1.00 0.00 H new ATOM 0 HG LEU A 475 99.932 0.736 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 475 101.265 2.004 9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.256 1.448 11.227 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.348 0.605 9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.318 0.681 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.328 -0.768 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.891 -0.837 9.934 1.00 0.00 H new ATOM 622 N ALA A 476 101.859 1.432 13.302 1.00 0.00 N ATOM 623 CA ALA A 476 102.749 2.546 13.607 1.00 0.00 C ATOM 624 C ALA A 476 103.114 2.567 15.087 1.00 0.00 C ATOM 625 O ALA A 476 104.167 3.077 15.469 1.00 0.00 O ATOM 626 CB ALA A 476 102.125 3.871 13.199 1.00 0.00 C ATOM 0 H ALA A 476 100.905 1.703 13.065 1.00 0.00 H new ATOM 0 HA ALA A 476 103.663 2.404 13.030 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.810 4.685 13.438 1.00 0.00 H new ATOM 0 HB2 ALA A 476 101.928 3.866 12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.189 4.014 13.739 1.00 0.00 H new ATOM 632 N ALA A 477 102.236 2.016 15.919 1.00 0.00 N ATOM 633 CA ALA A 477 102.473 1.983 17.357 1.00 0.00 C ATOM 634 C ALA A 477 103.567 0.983 17.699 1.00 0.00 C ATOM 635 O ALA A 477 104.291 1.150 18.680 1.00 0.00 O ATOM 636 CB ALA A 477 101.198 1.646 18.115 1.00 0.00 C ATOM 0 H ALA A 477 101.358 1.588 15.624 1.00 0.00 H new ATOM 0 HA ALA A 477 102.800 2.977 17.663 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.405 1.628 19.185 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.439 2.400 17.904 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.835 0.668 17.799 1.00 0.00 H new ATOM 642 N ILE A 478 103.690 -0.051 16.876 1.00 0.00 N ATOM 643 CA ILE A 478 104.709 -1.071 17.089 1.00 0.00 C ATOM 644 C ILE A 478 106.061 -0.611 16.547 1.00 0.00 C ATOM 645 O ILE A 478 107.111 -0.984 17.071 1.00 0.00 O ATOM 646 CB ILE A 478 104.311 -2.410 16.436 1.00 0.00 C ATOM 647 CG1 ILE A 478 103.190 -3.067 17.241 1.00 0.00 C ATOM 648 CG2 ILE A 478 105.511 -3.341 16.335 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.904 -3.237 16.463 1.00 0.00 C ATOM 0 H ILE A 478 103.100 -0.205 16.059 1.00 0.00 H new ATOM 0 HA ILE A 478 104.793 -1.225 18.165 1.00 0.00 H new ATOM 0 HB ILE A 478 103.953 -2.212 15.426 1.00 0.00 H new ATOM 0 HG12 ILE A 478 103.527 -4.044 17.587 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.991 -2.466 18.128 1.00 0.00 H new ATOM 0 HG21 ILE A 478 105.206 -4.279 15.871 1.00 0.00 H new ATOM 0 HG22 ILE A 478 106.286 -2.872 15.729 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.902 -3.540 17.333 1.00 0.00 H new ATOM 0 HD11 ILE A 478 101.154 -3.709 17.098 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.543 -2.261 16.140 1.00 0.00 H new ATOM 0 HD13 ILE A 478 102.087 -3.863 15.590 1.00 0.00 H new ATOM 661 N SER A 479 106.026 0.202 15.495 1.00 0.00 N ATOM 662 CA SER A 479 107.247 0.716 14.882 1.00 0.00 C ATOM 663 C SER A 479 106.930 1.852 13.913 1.00 0.00 C ATOM 664 O SER A 479 105.790 2.011 13.478 1.00 0.00 O ATOM 665 CB SER A 479 107.986 -0.403 14.147 1.00 0.00 C ATOM 666 OG SER A 479 108.452 -1.388 15.054 1.00 0.00 O ATOM 0 H SER A 479 105.165 0.519 15.049 1.00 0.00 H new ATOM 0 HA SER A 479 107.887 1.103 15.675 1.00 0.00 H new ATOM 0 HB2 SER A 479 107.321 -0.863 13.416 1.00 0.00 H new ATOM 0 HB3 SER A 479 108.828 0.014 13.595 1.00 0.00 H new ATOM 0 HG SER A 479 108.370 -1.053 15.971 1.00 0.00 H new ATOM 672 N GLU A 480 107.948 2.641 13.578 1.00 0.00 N ATOM 673 CA GLU A 480 107.776 3.760 12.658 1.00 0.00 C ATOM 674 C GLU A 480 107.664 3.266 11.220 1.00 0.00 C ATOM 675 O GLU A 480 108.594 2.659 10.687 1.00 0.00 O ATOM 676 CB GLU A 480 108.945 4.740 12.785 1.00 0.00 C ATOM 677 CG GLU A 480 108.574 6.174 12.445 1.00 0.00 C ATOM 678 CD GLU A 480 109.360 6.716 11.269 1.00 0.00 C ATOM 679 OE1 GLU A 480 108.897 7.693 10.643 1.00 0.00 O ATOM 680 OE2 GLU A 480 110.442 6.164 10.973 1.00 0.00 O ATOM 0 H GLU A 480 108.899 2.526 13.930 1.00 0.00 H new ATOM 0 HA GLU A 480 106.852 4.275 12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.329 4.705 13.804 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.753 4.417 12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.509 6.226 12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.747 6.806 13.316 1.00 0.00 H new ATOM 687 N VAL A 481 106.520 3.527 10.598 1.00 0.00 N ATOM 688 CA VAL A 481 106.283 3.106 9.223 1.00 0.00 C ATOM 689 C VAL A 481 106.371 4.284 8.262 1.00 0.00 C ATOM 690 O VAL A 481 106.278 5.442 8.669 1.00 0.00 O ATOM 691 CB VAL A 481 104.902 2.443 9.070 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.953 0.994 9.529 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.850 3.222 9.844 1.00 0.00 C ATOM 0 H VAL A 481 105.741 4.029 11.025 1.00 0.00 H new ATOM 0 HA VAL A 481 107.059 2.381 8.979 1.00 0.00 H new ATOM 0 HB VAL A 481 104.625 2.454 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.968 0.541 9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.677 0.446 8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.250 0.955 10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.880 2.740 9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.117 3.244 10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.798 4.241 9.462 1.00 0.00 H new ATOM 703 N LEU A 482 106.543 3.979 6.980 1.00 0.00 N ATOM 704 CA LEU A 482 106.634 5.011 5.960 1.00 0.00 C ATOM 705 C LEU A 482 105.242 5.450 5.523 1.00 0.00 C ATOM 706 O LEU A 482 104.804 6.557 5.831 1.00 0.00 O ATOM 707 CB LEU A 482 107.425 4.503 4.753 1.00 0.00 C ATOM 708 CG LEU A 482 108.335 5.542 4.095 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.799 5.059 2.729 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.617 6.877 3.976 1.00 0.00 C ATOM 0 H LEU A 482 106.622 3.026 6.625 1.00 0.00 H new ATOM 0 HA LEU A 482 107.156 5.868 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.034 3.655 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.722 4.132 4.007 1.00 0.00 H new ATOM 0 HG LEU A 482 109.214 5.679 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 482 109.445 5.812 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 482 109.352 4.126 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 482 107.933 4.892 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.278 7.605 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 482 106.721 6.755 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.337 7.229 4.969 1.00 0.00 H new ATOM 722 N TYR A 483 104.550 4.571 4.803 1.00 0.00 N ATOM 723 CA TYR A 483 103.202 4.874 4.328 1.00 0.00 C ATOM 724 C TYR A 483 102.318 3.636 4.373 1.00 0.00 C ATOM 725 O TYR A 483 102.738 2.550 3.988 1.00 0.00 O ATOM 726 CB TYR A 483 103.249 5.430 2.903 1.00 0.00 C ATOM 727 CG TYR A 483 101.880 5.687 2.311 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.355 6.974 2.252 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.110 4.643 1.813 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.104 7.210 1.714 1.00 0.00 C ATOM 731 CE2 TYR A 483 99.858 4.872 1.274 1.00 0.00 C ATOM 732 CZ TYR A 483 99.360 6.157 1.227 1.00 0.00 C ATOM 733 OH TYR A 483 98.113 6.389 0.691 1.00 0.00 O ATOM 0 H TYR A 483 104.897 3.649 4.537 1.00 0.00 H new ATOM 0 HA TYR A 483 102.775 5.628 4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.817 6.360 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.786 4.728 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.934 7.802 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.497 3.635 1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.711 8.215 1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.273 4.049 0.892 1.00 0.00 H new ATOM 0 HH TYR A 483 97.722 5.541 0.393 1.00 0.00 H new ATOM 743 N VAL A 484 101.089 3.808 4.845 1.00 0.00 N ATOM 744 CA VAL A 484 100.147 2.701 4.937 1.00 0.00 C ATOM 745 C VAL A 484 99.000 2.875 3.946 1.00 0.00 C ATOM 746 O VAL A 484 98.221 3.822 4.045 1.00 0.00 O ATOM 747 CB VAL A 484 99.571 2.571 6.360 1.00 0.00 C ATOM 748 CG1 VAL A 484 99.159 3.932 6.898 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.395 1.606 6.375 1.00 0.00 C ATOM 0 H VAL A 484 100.722 4.703 5.169 1.00 0.00 H new ATOM 0 HA VAL A 484 100.698 1.792 4.694 1.00 0.00 H new ATOM 0 HB VAL A 484 100.349 2.170 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.755 3.818 7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 484 100.028 4.590 6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.399 4.365 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 484 98.002 1.527 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.614 1.974 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 484 98.726 0.624 6.037 1.00 0.00 H new ATOM 759 N ASP A 485 98.905 1.955 2.990 1.00 0.00 N ATOM 760 CA ASP A 485 97.854 2.013 1.981 1.00 0.00 C ATOM 761 C ASP A 485 96.663 1.147 2.379 1.00 0.00 C ATOM 762 O ASP A 485 96.821 -0.019 2.732 1.00 0.00 O ATOM 763 CB ASP A 485 98.393 1.561 0.624 1.00 0.00 C ATOM 764 CG ASP A 485 97.284 1.283 -0.372 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.226 0.150 -0.893 1.00 0.00 O ATOM 766 OD2 ASP A 485 96.474 2.198 -0.629 1.00 0.00 O ATOM 0 H ASP A 485 99.541 1.163 2.894 1.00 0.00 H new ATOM 0 HA ASP A 485 97.519 3.047 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.054 2.330 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.994 0.661 0.756 1.00 0.00 H new ATOM 771 N LEU A 486 95.471 1.725 2.306 1.00 0.00 N ATOM 772 CA LEU A 486 94.247 1.009 2.646 1.00 0.00 C ATOM 773 C LEU A 486 93.209 1.190 1.545 1.00 0.00 C ATOM 774 O LEU A 486 92.811 2.314 1.240 1.00 0.00 O ATOM 775 CB LEU A 486 93.691 1.510 3.982 1.00 0.00 C ATOM 776 CG LEU A 486 92.764 0.537 4.713 1.00 0.00 C ATOM 777 CD1 LEU A 486 91.720 1.299 5.516 1.00 0.00 C ATOM 778 CD2 LEU A 486 92.093 -0.410 3.728 1.00 0.00 C ATOM 0 H LEU A 486 95.325 2.691 2.013 1.00 0.00 H new ATOM 0 HA LEU A 486 94.479 -0.052 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.528 1.750 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.149 2.439 3.805 1.00 0.00 H new ATOM 0 HG LEU A 486 93.365 -0.057 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.069 0.592 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 486 92.217 1.934 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 486 91.125 1.918 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 486 91.438 -1.093 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.506 0.165 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 486 92.854 -0.981 3.196 1.00 0.00 H new ATOM 790 N LEU A 487 92.771 0.087 0.946 1.00 0.00 N ATOM 791 CA LEU A 487 91.782 0.157 -0.122 1.00 0.00 C ATOM 792 C LEU A 487 90.482 0.777 0.386 1.00 0.00 C ATOM 793 O LEU A 487 89.620 0.085 0.925 1.00 0.00 O ATOM 794 CB LEU A 487 91.522 -1.235 -0.700 1.00 0.00 C ATOM 795 CG LEU A 487 92.538 -1.693 -1.750 1.00 0.00 C ATOM 796 CD1 LEU A 487 92.806 -3.184 -1.621 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.049 -1.356 -3.150 1.00 0.00 C ATOM 0 H LEU A 487 93.082 -0.856 1.179 1.00 0.00 H new ATOM 0 HA LEU A 487 92.177 0.793 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.514 -1.957 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.528 -1.248 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 487 93.473 -1.161 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 487 93.530 -3.490 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 487 93.203 -3.398 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 487 91.877 -3.735 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 487 92.784 -1.689 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.100 -1.859 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.912 -0.278 -3.238 1.00 0.00 H new ATOM 809 N GLU A 488 90.360 2.092 0.217 1.00 0.00 N ATOM 810 CA GLU A 488 89.177 2.823 0.662 1.00 0.00 C ATOM 811 C GLU A 488 87.913 1.977 0.533 1.00 0.00 C ATOM 812 O GLU A 488 87.607 1.458 -0.539 1.00 0.00 O ATOM 813 CB GLU A 488 89.019 4.115 -0.146 1.00 0.00 C ATOM 814 CG GLU A 488 87.645 4.752 -0.009 1.00 0.00 C ATOM 815 CD GLU A 488 86.730 4.421 -1.172 1.00 0.00 C ATOM 816 OE1 GLU A 488 87.152 3.649 -2.058 1.00 0.00 O ATOM 817 OE2 GLU A 488 85.592 4.934 -1.196 1.00 0.00 O ATOM 0 H GLU A 488 91.070 2.675 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 488 89.316 3.066 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 488 89.776 4.830 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 488 89.209 3.902 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 488 87.183 4.415 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 488 87.756 5.834 0.065 1.00 0.00 H new ATOM 824 N GLY A 489 87.182 1.849 1.637 1.00 0.00 N ATOM 825 CA GLY A 489 85.956 1.074 1.633 1.00 0.00 C ATOM 826 C GLY A 489 86.203 -0.417 1.512 1.00 0.00 C ATOM 827 O GLY A 489 85.263 -1.197 1.357 1.00 0.00 O ATOM 0 H GLY A 489 87.419 2.270 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.403 1.273 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.327 1.402 0.805 1.00 0.00 H new ATOM 831 N ASP A 490 87.468 -0.816 1.580 1.00 0.00 N ATOM 832 CA ASP A 490 87.829 -2.225 1.474 1.00 0.00 C ATOM 833 C ASP A 490 88.283 -2.776 2.822 1.00 0.00 C ATOM 834 O ASP A 490 88.484 -2.024 3.775 1.00 0.00 O ATOM 835 CB ASP A 490 88.938 -2.412 0.436 1.00 0.00 C ATOM 836 CG ASP A 490 88.872 -3.765 -0.245 1.00 0.00 C ATOM 837 OD1 ASP A 490 88.867 -3.801 -1.494 1.00 0.00 O ATOM 838 OD2 ASP A 490 88.827 -4.789 0.470 1.00 0.00 O ATOM 0 H ASP A 490 88.259 -0.185 1.708 1.00 0.00 H new ATOM 0 HA ASP A 490 86.944 -2.776 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.864 -1.626 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.908 -2.299 0.921 1.00 0.00 H new ATOM 843 N THR A 491 88.440 -4.093 2.892 1.00 0.00 N ATOM 844 CA THR A 491 88.869 -4.748 4.120 1.00 0.00 C ATOM 845 C THR A 491 90.321 -5.208 4.025 1.00 0.00 C ATOM 846 O THR A 491 90.793 -5.978 4.862 1.00 0.00 O ATOM 847 CB THR A 491 87.978 -5.961 4.449 1.00 0.00 C ATOM 848 OG1 THR A 491 87.733 -6.760 3.284 1.00 0.00 O ATOM 849 CG2 THR A 491 86.640 -5.512 5.015 1.00 0.00 C ATOM 0 H THR A 491 88.276 -4.728 2.111 1.00 0.00 H new ATOM 0 HA THR A 491 88.778 -4.011 4.918 1.00 0.00 H new ATOM 0 HB THR A 491 88.513 -6.556 5.189 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.167 -7.523 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.028 -6.386 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.805 -4.940 5.928 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.127 -4.888 4.284 1.00 0.00 H new ATOM 857 N GLU A 492 91.025 -4.738 2.998 1.00 0.00 N ATOM 858 CA GLU A 492 92.421 -5.113 2.801 1.00 0.00 C ATOM 859 C GLU A 492 93.304 -3.884 2.605 1.00 0.00 C ATOM 860 O GLU A 492 92.991 -2.993 1.810 1.00 0.00 O ATOM 861 CB GLU A 492 92.554 -6.045 1.596 1.00 0.00 C ATOM 862 CG GLU A 492 91.358 -6.001 0.659 1.00 0.00 C ATOM 863 CD GLU A 492 91.536 -6.895 -0.552 1.00 0.00 C ATOM 864 OE1 GLU A 492 90.612 -7.681 -0.849 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.598 -6.809 -1.204 1.00 0.00 O ATOM 0 H GLU A 492 90.654 -4.101 2.294 1.00 0.00 H new ATOM 0 HA GLU A 492 92.756 -5.633 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.452 -5.779 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 492 92.690 -7.067 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 492 90.463 -6.305 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 492 91.197 -4.975 0.329 1.00 0.00 H new ATOM 872 N CYS A 493 94.411 -3.842 3.340 1.00 0.00 N ATOM 873 CA CYS A 493 95.346 -2.730 3.257 1.00 0.00 C ATOM 874 C CYS A 493 96.784 -3.240 3.234 1.00 0.00 C ATOM 875 O CYS A 493 97.106 -4.238 3.878 1.00 0.00 O ATOM 876 CB CYS A 493 95.145 -1.782 4.441 1.00 0.00 C ATOM 877 SG CYS A 493 96.000 -2.295 5.950 1.00 0.00 S ATOM 0 H CYS A 493 94.681 -4.570 4.002 1.00 0.00 H new ATOM 0 HA CYS A 493 95.155 -2.187 2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.492 -0.788 4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.078 -1.700 4.650 1.00 0.00 H new ATOM 0 HG CYS A 493 96.845 -1.373 6.305 1.00 0.00 H new ATOM 883 N HIS A 494 97.644 -2.547 2.498 1.00 0.00 N ATOM 884 CA HIS A 494 99.048 -2.927 2.401 1.00 0.00 C ATOM 885 C HIS A 494 99.942 -1.749 2.770 1.00 0.00 C ATOM 886 O HIS A 494 100.012 -0.757 2.043 1.00 0.00 O ATOM 887 CB HIS A 494 99.373 -3.414 0.988 1.00 0.00 C ATOM 888 CG HIS A 494 98.654 -4.673 0.613 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.280 -4.788 0.625 1.00 0.00 N ATOM 890 CD2 HIS A 494 99.127 -5.880 0.221 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.938 -6.010 0.259 1.00 0.00 C ATOM 892 NE2 HIS A 494 98.041 -6.692 0.007 1.00 0.00 N ATOM 0 H HIS A 494 97.394 -1.718 1.959 1.00 0.00 H new ATOM 0 HA HIS A 494 99.235 -3.741 3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.117 -2.631 0.274 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.447 -3.580 0.907 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.165 -6.153 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.929 -6.387 0.179 1.00 0.00 H new ATOM 0 HE2 HIS A 494 98.079 -7.665 -0.297 1.00 0.00 H new ATOM 901 N ALA A 495 100.613 -1.854 3.911 1.00 0.00 N ATOM 902 CA ALA A 495 101.486 -0.787 4.380 1.00 0.00 C ATOM 903 C ALA A 495 102.926 -0.995 3.926 1.00 0.00 C ATOM 904 O ALA A 495 103.471 -2.096 4.022 1.00 0.00 O ATOM 905 CB ALA A 495 101.430 -0.667 5.895 1.00 0.00 C ATOM 0 H ALA A 495 100.569 -2.666 4.527 1.00 0.00 H new ATOM 0 HA ALA A 495 101.124 0.141 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.090 0.137 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.409 -0.446 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.751 -1.606 6.346 1.00 0.00 H new ATOM 911 N ARG A 496 103.539 0.080 3.444 1.00 0.00 N ATOM 912 CA ARG A 496 104.920 0.044 2.985 1.00 0.00 C ATOM 913 C ARG A 496 105.865 0.490 4.096 1.00 0.00 C ATOM 914 O ARG A 496 105.662 1.538 4.719 1.00 0.00 O ATOM 915 CB ARG A 496 105.103 0.945 1.761 1.00 0.00 C ATOM 916 CG ARG A 496 103.920 0.930 0.807 1.00 0.00 C ATOM 917 CD ARG A 496 104.309 1.450 -0.567 1.00 0.00 C ATOM 918 NE ARG A 496 103.786 2.791 -0.811 1.00 0.00 N ATOM 919 CZ ARG A 496 102.557 3.034 -1.258 1.00 0.00 C ATOM 920 NH1 ARG A 496 101.730 2.028 -1.508 1.00 0.00 N ATOM 921 NH2 ARG A 496 102.155 4.281 -1.453 1.00 0.00 N ATOM 0 H ARG A 496 103.095 0.995 3.361 1.00 0.00 H new ATOM 0 HA ARG A 496 105.158 -0.983 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.274 1.968 2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.997 0.632 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.536 -0.086 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.114 1.541 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.395 1.463 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.934 0.770 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 496 104.398 3.587 -0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 496 102.036 1.067 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 496 100.788 2.215 -1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 496 102.788 5.057 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 496 101.212 4.465 -1.796 1.00 0.00 H new ATOM 935 N PHE A 497 106.904 -0.306 4.322 1.00 0.00 N ATOM 936 CA PHE A 497 107.902 -0.005 5.341 1.00 0.00 C ATOM 937 C PHE A 497 109.241 0.318 4.687 1.00 0.00 C ATOM 938 O PHE A 497 109.531 -0.152 3.587 1.00 0.00 O ATOM 939 CB PHE A 497 108.058 -1.188 6.300 1.00 0.00 C ATOM 940 CG PHE A 497 106.829 -1.467 7.117 1.00 0.00 C ATOM 941 CD1 PHE A 497 106.878 -1.431 8.501 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.624 -1.765 6.500 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.749 -1.689 9.255 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.492 -2.022 7.248 1.00 0.00 C ATOM 945 CZ PHE A 497 104.554 -1.985 8.628 1.00 0.00 C ATOM 0 H PHE A 497 107.077 -1.170 3.809 1.00 0.00 H new ATOM 0 HA PHE A 497 107.568 0.863 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.312 -2.079 5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.894 -0.992 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 497 107.809 -1.199 8.996 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.570 -1.797 5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 497 105.801 -1.659 10.333 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.559 -2.252 6.755 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.670 -2.187 9.215 1.00 0.00 H new ATOM 955 N LYS A 498 110.052 1.126 5.359 1.00 0.00 N ATOM 956 CA LYS A 498 111.354 1.508 4.822 1.00 0.00 C ATOM 957 C LYS A 498 112.387 0.407 5.033 1.00 0.00 C ATOM 958 O LYS A 498 113.421 0.381 4.367 1.00 0.00 O ATOM 959 CB LYS A 498 111.839 2.807 5.466 1.00 0.00 C ATOM 960 CG LYS A 498 112.802 3.593 4.592 1.00 0.00 C ATOM 961 CD LYS A 498 112.472 5.075 4.589 1.00 0.00 C ATOM 962 CE LYS A 498 113.400 5.854 5.508 1.00 0.00 C ATOM 963 NZ LYS A 498 112.664 6.479 6.641 1.00 0.00 N ATOM 0 H LYS A 498 109.834 1.528 6.271 1.00 0.00 H new ATOM 0 HA LYS A 498 111.235 1.663 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.977 3.433 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.327 2.574 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 498 113.821 3.447 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.765 3.209 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 498 112.552 5.465 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 498 111.439 5.220 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.168 5.187 5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.911 6.628 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 113.332 7.000 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 111.948 7.135 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 112.197 5.738 7.202 1.00 0.00 H new ATOM 977 N THR A 499 112.107 -0.502 5.962 1.00 0.00 N ATOM 978 CA THR A 499 113.022 -1.598 6.248 1.00 0.00 C ATOM 979 C THR A 499 112.274 -2.912 6.448 1.00 0.00 C ATOM 980 O THR A 499 111.142 -2.929 6.930 1.00 0.00 O ATOM 981 CB THR A 499 113.871 -1.315 7.500 1.00 0.00 C ATOM 982 OG1 THR A 499 113.097 -0.682 8.527 1.00 0.00 O ATOM 983 CG2 THR A 499 115.051 -0.417 7.162 1.00 0.00 C ATOM 0 H THR A 499 111.257 -0.500 6.526 1.00 0.00 H new ATOM 0 HA THR A 499 113.678 -1.685 5.382 1.00 0.00 H new ATOM 0 HB THR A 499 114.230 -2.278 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.664 -0.517 9.309 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.636 -0.231 8.063 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.678 -0.905 6.416 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.686 0.530 6.765 1.00 0.00 H new ATOM 991 N PRO A 500 112.911 -4.031 6.078 1.00 0.00 N ATOM 992 CA PRO A 500 112.320 -5.365 6.212 1.00 0.00 C ATOM 993 C PRO A 500 112.290 -5.843 7.660 1.00 0.00 C ATOM 994 O PRO A 500 111.340 -6.498 8.090 1.00 0.00 O ATOM 995 CB PRO A 500 113.255 -6.243 5.382 1.00 0.00 C ATOM 996 CG PRO A 500 114.572 -5.551 5.443 1.00 0.00 C ATOM 997 CD PRO A 500 114.265 -4.079 5.498 1.00 0.00 C ATOM 0 HA PRO A 500 111.281 -5.388 5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.318 -7.252 5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 500 112.903 -6.336 4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.137 -5.865 6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.179 -5.791 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.985 -3.542 6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.293 -3.626 4.507 1.00 0.00 H new ATOM 1005 N GLU A 501 113.336 -5.508 8.406 1.00 0.00 N ATOM 1006 CA GLU A 501 113.436 -5.900 9.806 1.00 0.00 C ATOM 1007 C GLU A 501 112.302 -5.292 10.625 1.00 0.00 C ATOM 1008 O GLU A 501 111.740 -5.943 11.506 1.00 0.00 O ATOM 1009 CB GLU A 501 114.785 -5.467 10.382 1.00 0.00 C ATOM 1010 CG GLU A 501 115.273 -4.131 9.845 1.00 0.00 C ATOM 1011 CD GLU A 501 115.744 -3.200 10.943 1.00 0.00 C ATOM 1012 OE1 GLU A 501 116.628 -3.605 11.727 1.00 0.00 O ATOM 1013 OE2 GLU A 501 115.229 -2.064 11.020 1.00 0.00 O ATOM 0 H GLU A 501 114.128 -4.965 8.064 1.00 0.00 H new ATOM 0 HA GLU A 501 113.356 -6.986 9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.705 -5.406 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.529 -6.232 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 501 116.089 -4.302 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.468 -3.652 9.287 1.00 0.00 H new ATOM 1020 N ASP A 502 111.970 -4.040 10.330 1.00 0.00 N ATOM 1021 CA ASP A 502 110.903 -3.345 11.039 1.00 0.00 C ATOM 1022 C ASP A 502 109.557 -4.026 10.807 1.00 0.00 C ATOM 1023 O ASP A 502 108.762 -4.182 11.734 1.00 0.00 O ATOM 1024 CB ASP A 502 110.835 -1.884 10.589 1.00 0.00 C ATOM 1025 CG ASP A 502 110.185 -0.989 11.627 1.00 0.00 C ATOM 1026 OD1 ASP A 502 109.379 -0.118 11.240 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.483 -1.161 12.828 1.00 0.00 O ATOM 0 H ASP A 502 112.425 -3.486 9.604 1.00 0.00 H new ATOM 0 HA ASP A 502 111.125 -3.381 12.106 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.842 -1.523 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 502 110.275 -1.820 9.656 1.00 0.00 H new ATOM 1032 N ALA A 503 109.310 -4.430 9.565 1.00 0.00 N ATOM 1033 CA ALA A 503 108.061 -5.094 9.211 1.00 0.00 C ATOM 1034 C ALA A 503 107.957 -6.457 9.886 1.00 0.00 C ATOM 1035 O ALA A 503 106.895 -6.839 10.377 1.00 0.00 O ATOM 1036 CB ALA A 503 107.935 -5.243 7.703 1.00 0.00 C ATOM 0 H ALA A 503 109.958 -4.309 8.787 1.00 0.00 H new ATOM 0 HA ALA A 503 107.241 -4.470 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 503 106.995 -5.741 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.952 -4.258 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.767 -5.837 7.325 1.00 0.00 H new ATOM 1042 N GLN A 504 109.064 -7.188 9.904 1.00 0.00 N ATOM 1043 CA GLN A 504 109.096 -8.510 10.517 1.00 0.00 C ATOM 1044 C GLN A 504 108.789 -8.421 12.011 1.00 0.00 C ATOM 1045 O GLN A 504 108.135 -9.295 12.574 1.00 0.00 O ATOM 1046 CB GLN A 504 110.464 -9.156 10.303 1.00 0.00 C ATOM 1047 CG GLN A 504 110.389 -10.588 9.799 1.00 0.00 C ATOM 1048 CD GLN A 504 111.689 -11.342 10.001 1.00 0.00 C ATOM 1049 OE1 GLN A 504 112.686 -10.775 10.449 1.00 0.00 O ATOM 1050 NE2 GLN A 504 111.684 -12.626 9.668 1.00 0.00 N ATOM 0 H GLN A 504 109.952 -6.888 9.501 1.00 0.00 H new ATOM 0 HA GLN A 504 108.332 -9.126 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.031 -8.558 9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.016 -9.139 11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 504 109.585 -11.111 10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.136 -10.584 8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 504 110.834 -13.054 9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 504 112.530 -13.185 9.780 1.00 0.00 H new ATOM 1059 N ALA A 505 109.286 -7.371 12.647 1.00 0.00 N ATOM 1060 CA ALA A 505 109.079 -7.176 14.076 1.00 0.00 C ATOM 1061 C ALA A 505 107.606 -6.941 14.415 1.00 0.00 C ATOM 1062 O ALA A 505 107.111 -7.433 15.429 1.00 0.00 O ATOM 1063 CB ALA A 505 109.921 -6.017 14.588 1.00 0.00 C ATOM 0 H ALA A 505 109.836 -6.640 12.197 1.00 0.00 H new ATOM 0 HA ALA A 505 109.393 -8.094 14.572 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.751 -5.889 15.657 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.976 -6.227 14.411 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.640 -5.104 14.064 1.00 0.00 H new ATOM 1069 N VAL A 506 106.915 -6.170 13.577 1.00 0.00 N ATOM 1070 CA VAL A 506 105.507 -5.855 13.811 1.00 0.00 C ATOM 1071 C VAL A 506 104.596 -7.073 13.658 1.00 0.00 C ATOM 1072 O VAL A 506 103.675 -7.265 14.450 1.00 0.00 O ATOM 1073 CB VAL A 506 105.013 -4.745 12.862 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.366 -5.074 11.421 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.514 -4.539 13.015 1.00 0.00 C ATOM 0 H VAL A 506 107.306 -5.753 12.732 1.00 0.00 H new ATOM 0 HA VAL A 506 105.452 -5.510 14.844 1.00 0.00 H new ATOM 0 HB VAL A 506 105.515 -3.816 13.131 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.008 -4.278 10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.448 -5.165 11.323 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.895 -6.015 11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.184 -3.752 12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 506 102.993 -5.466 12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.289 -4.251 14.042 1.00 0.00 H new ATOM 1085 N ILE A 507 104.843 -7.888 12.637 1.00 0.00 N ATOM 1086 CA ILE A 507 104.018 -9.069 12.400 1.00 0.00 C ATOM 1087 C ILE A 507 104.146 -10.075 13.537 1.00 0.00 C ATOM 1088 O ILE A 507 103.185 -10.763 13.880 1.00 0.00 O ATOM 1089 CB ILE A 507 104.379 -9.768 11.080 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.868 -10.104 11.045 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.995 -8.897 9.896 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.155 -11.525 10.617 1.00 0.00 C ATOM 0 H ILE A 507 105.600 -7.755 11.966 1.00 0.00 H new ATOM 0 HA ILE A 507 102.990 -8.713 12.342 1.00 0.00 H new ATOM 0 HB ILE A 507 103.817 -10.700 11.015 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.371 -9.419 10.363 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.293 -9.938 12.035 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.257 -9.407 8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.921 -8.709 9.915 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.530 -7.949 9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.232 -11.694 10.615 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.681 -12.217 11.313 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.760 -11.690 9.615 1.00 0.00 H new ATOM 1104 N ASN A 508 105.331 -10.145 14.127 1.00 0.00 N ATOM 1105 CA ASN A 508 105.567 -11.055 15.237 1.00 0.00 C ATOM 1106 C ASN A 508 104.811 -10.581 16.471 1.00 0.00 C ATOM 1107 O ASN A 508 104.236 -11.377 17.213 1.00 0.00 O ATOM 1108 CB ASN A 508 107.063 -11.143 15.544 1.00 0.00 C ATOM 1109 CG ASN A 508 107.834 -11.880 14.468 1.00 0.00 C ATOM 1110 OD1 ASN A 508 108.935 -11.289 14.022 1.00 0.00 O flip ATOM 1111 ND2 ASN A 508 107.443 -12.966 14.042 1.00 0.00 N flip ATOM 0 H ASN A 508 106.140 -9.585 13.857 1.00 0.00 H new ATOM 0 HA ASN A 508 105.207 -12.045 14.958 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.468 -10.137 15.652 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.205 -11.648 16.499 1.00 0.00 H new ATOM 0 HD21 ASN A 508 106.590 -13.383 14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 508 107.972 -13.449 13.316 1.00 0.00 H new ATOM 1118 N ALA A 509 104.822 -9.270 16.671 1.00 0.00 N ATOM 1119 CA ALA A 509 104.144 -8.651 17.803 1.00 0.00 C ATOM 1120 C ALA A 509 102.636 -8.581 17.586 1.00 0.00 C ATOM 1121 O ALA A 509 101.863 -8.513 18.541 1.00 0.00 O ATOM 1122 CB ALA A 509 104.699 -7.260 18.071 1.00 0.00 C ATOM 0 H ALA A 509 105.298 -8.609 16.057 1.00 0.00 H new ATOM 0 HA ALA A 509 104.330 -9.279 18.674 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.178 -6.818 18.920 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.763 -7.330 18.295 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.554 -6.634 17.190 1.00 0.00 H new ATOM 1128 N TYR A 510 102.226 -8.569 16.322 1.00 0.00 N ATOM 1129 CA TYR A 510 100.813 -8.474 15.977 1.00 0.00 C ATOM 1130 C TYR A 510 100.013 -9.662 16.487 1.00 0.00 C ATOM 1131 O TYR A 510 98.782 -9.637 16.466 1.00 0.00 O ATOM 1132 CB TYR A 510 100.635 -8.354 14.470 1.00 0.00 C ATOM 1133 CG TYR A 510 100.085 -7.017 14.044 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.187 -6.908 12.991 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.465 -5.858 14.705 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.684 -5.680 12.606 1.00 0.00 C ATOM 1137 CE2 TYR A 510 99.967 -4.625 14.328 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.078 -4.541 13.278 1.00 0.00 C ATOM 1139 OH TYR A 510 98.579 -3.316 12.899 1.00 0.00 O ATOM 0 H TYR A 510 102.853 -8.624 15.519 1.00 0.00 H new ATOM 0 HA TYR A 510 100.432 -7.577 16.465 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.596 -8.517 13.983 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.965 -9.142 14.125 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.876 -7.798 12.464 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.162 -5.920 15.528 1.00 0.00 H new ATOM 0 HE1 TYR A 510 97.987 -5.612 11.784 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.273 -3.732 14.853 1.00 0.00 H new ATOM 0 HH TYR A 510 97.614 -3.390 12.742 1.00 0.00 H new ATOM 1149 N THR A 511 100.694 -10.698 16.957 1.00 0.00 N ATOM 1150 CA THR A 511 99.993 -11.858 17.477 1.00 0.00 C ATOM 1151 C THR A 511 98.983 -11.403 18.516 1.00 0.00 C ATOM 1152 O THR A 511 97.883 -11.944 18.622 1.00 0.00 O ATOM 1153 CB THR A 511 100.963 -12.872 18.113 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.771 -12.259 19.125 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.884 -13.473 17.061 1.00 0.00 C ATOM 0 H THR A 511 101.712 -10.758 16.988 1.00 0.00 H new ATOM 0 HA THR A 511 99.490 -12.353 16.646 1.00 0.00 H new ATOM 0 HB THR A 511 100.352 -13.654 18.563 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.604 -11.932 18.725 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.560 -14.186 17.534 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.288 -13.984 16.305 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.465 -12.680 16.590 1.00 0.00 H new ATOM 1163 N GLU A 512 99.386 -10.401 19.286 1.00 0.00 N ATOM 1164 CA GLU A 512 98.546 -9.847 20.340 1.00 0.00 C ATOM 1165 C GLU A 512 97.178 -9.446 19.800 1.00 0.00 C ATOM 1166 O GLU A 512 96.151 -9.747 20.409 1.00 0.00 O ATOM 1167 CB GLU A 512 99.229 -8.638 20.980 1.00 0.00 C ATOM 1168 CG GLU A 512 99.674 -8.880 22.412 1.00 0.00 C ATOM 1169 CD GLU A 512 99.128 -7.842 23.374 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.885 -7.401 24.264 1.00 0.00 O ATOM 1171 OE2 GLU A 512 97.944 -7.472 23.237 1.00 0.00 O ATOM 0 H GLU A 512 100.298 -9.952 19.199 1.00 0.00 H new ATOM 0 HA GLU A 512 98.402 -10.619 21.096 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.096 -8.361 20.380 1.00 0.00 H new ATOM 0 HB3 GLU A 512 98.544 -7.791 20.959 1.00 0.00 H new ATOM 0 HG2 GLU A 512 99.347 -9.871 22.728 1.00 0.00 H new ATOM 0 HG3 GLU A 512 100.763 -8.874 22.456 1.00 0.00 H new ATOM 1178 N ILE A 513 97.166 -8.763 18.660 1.00 0.00 N ATOM 1179 CA ILE A 513 95.917 -8.321 18.054 1.00 0.00 C ATOM 1180 C ILE A 513 94.955 -9.491 17.876 1.00 0.00 C ATOM 1181 O ILE A 513 93.777 -9.396 18.222 1.00 0.00 O ATOM 1182 CB ILE A 513 96.168 -7.648 16.690 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.035 -6.400 16.883 1.00 0.00 C ATOM 1184 CG2 ILE A 513 94.851 -7.297 16.008 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.282 -5.622 15.610 1.00 0.00 C ATOM 0 H ILE A 513 98.004 -8.505 18.139 1.00 0.00 H new ATOM 0 HA ILE A 513 95.469 -7.591 18.728 1.00 0.00 H new ATOM 0 HB ILE A 513 96.698 -8.347 16.043 1.00 0.00 H new ATOM 0 HG12 ILE A 513 96.555 -5.745 17.610 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.994 -6.698 17.307 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.054 -6.823 15.047 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.270 -8.206 15.849 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.286 -6.611 16.639 1.00 0.00 H new ATOM 0 HD11 ILE A 513 97.903 -4.754 15.829 1.00 0.00 H new ATOM 0 HD12 ILE A 513 97.791 -6.259 14.887 1.00 0.00 H new ATOM 0 HD13 ILE A 513 96.330 -5.292 15.195 1.00 0.00 H new ATOM 1197 N ASN A 514 95.461 -10.593 17.334 1.00 0.00 N ATOM 1198 CA ASN A 514 94.640 -11.777 17.114 1.00 0.00 C ATOM 1199 C ASN A 514 93.698 -12.012 18.292 1.00 0.00 C ATOM 1200 O ASN A 514 92.586 -12.512 18.118 1.00 0.00 O ATOM 1201 CB ASN A 514 95.528 -13.004 16.897 1.00 0.00 C ATOM 1202 CG ASN A 514 94.767 -14.305 17.061 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.643 -14.425 16.365 1.00 0.00 O flip ATOM 1204 ND2 ASN A 514 95.185 -15.193 17.803 1.00 0.00 N flip ATOM 0 H ASN A 514 96.433 -10.691 17.040 1.00 0.00 H new ATOM 0 HA ASN A 514 94.038 -11.613 16.221 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.961 -12.963 15.898 1.00 0.00 H new ATOM 0 HB3 ASN A 514 96.356 -12.979 17.605 1.00 0.00 H new ATOM 0 HD21 ASN A 514 96.054 -15.059 18.320 1.00 0.00 H new ATOM 0 HD22 ASN A 514 94.662 -16.063 17.901 1.00 0.00 H new ATOM 1211 N LYS A 515 94.147 -11.650 19.490 1.00 0.00 N ATOM 1212 CA LYS A 515 93.338 -11.823 20.692 1.00 0.00 C ATOM 1213 C LYS A 515 92.127 -10.895 20.669 1.00 0.00 C ATOM 1214 O LYS A 515 90.996 -11.331 20.883 1.00 0.00 O ATOM 1215 CB LYS A 515 94.175 -11.550 21.942 1.00 0.00 C ATOM 1216 CG LYS A 515 95.188 -12.641 22.250 1.00 0.00 C ATOM 1217 CD LYS A 515 96.589 -12.071 22.397 1.00 0.00 C ATOM 1218 CE LYS A 515 97.638 -13.171 22.430 1.00 0.00 C ATOM 1219 NZ LYS A 515 97.235 -14.348 21.613 1.00 0.00 N ATOM 0 H LYS A 515 95.065 -11.236 19.654 1.00 0.00 H new ATOM 0 HA LYS A 515 92.987 -12.855 20.716 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.701 -10.603 21.817 1.00 0.00 H new ATOM 0 HB3 LYS A 515 93.508 -11.434 22.797 1.00 0.00 H new ATOM 0 HG2 LYS A 515 94.904 -13.154 23.169 1.00 0.00 H new ATOM 0 HG3 LYS A 515 95.178 -13.385 21.453 1.00 0.00 H new ATOM 0 HD2 LYS A 515 96.796 -11.394 21.568 1.00 0.00 H new ATOM 0 HD3 LYS A 515 96.649 -11.482 23.312 1.00 0.00 H new ATOM 0 HE2 LYS A 515 98.586 -12.780 22.060 1.00 0.00 H new ATOM 0 HE3 LYS A 515 97.803 -13.484 23.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 98.045 -14.992 21.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 96.455 -14.848 22.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 96.923 -14.028 20.674 1.00 0.00 H new ATOM 1233 N LYS A 516 92.372 -9.615 20.409 1.00 0.00 N ATOM 1234 CA LYS A 516 91.300 -8.627 20.358 1.00 0.00 C ATOM 1235 C LYS A 516 90.494 -8.770 19.073 1.00 0.00 C ATOM 1236 O LYS A 516 89.265 -8.706 19.086 1.00 0.00 O ATOM 1237 CB LYS A 516 91.874 -7.213 20.460 1.00 0.00 C ATOM 1238 CG LYS A 516 90.950 -6.233 21.164 1.00 0.00 C ATOM 1239 CD LYS A 516 90.412 -6.813 22.463 1.00 0.00 C ATOM 1240 CE LYS A 516 88.987 -7.318 22.298 1.00 0.00 C ATOM 1241 NZ LYS A 516 88.764 -8.597 23.028 1.00 0.00 N ATOM 0 H LYS A 516 93.303 -9.238 20.230 1.00 0.00 H new ATOM 0 HA LYS A 516 90.636 -8.802 21.205 1.00 0.00 H new ATOM 0 HB2 LYS A 516 92.823 -7.252 20.994 1.00 0.00 H new ATOM 0 HB3 LYS A 516 92.087 -6.843 19.457 1.00 0.00 H new ATOM 0 HG2 LYS A 516 91.488 -5.308 21.372 1.00 0.00 H new ATOM 0 HG3 LYS A 516 90.119 -5.977 20.506 1.00 0.00 H new ATOM 0 HD2 LYS A 516 91.054 -7.631 22.791 1.00 0.00 H new ATOM 0 HD3 LYS A 516 90.442 -6.052 23.243 1.00 0.00 H new ATOM 0 HE2 LYS A 516 88.290 -6.564 22.664 1.00 0.00 H new ATOM 0 HE3 LYS A 516 88.773 -7.462 21.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 87.789 -8.625 23.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 88.917 -9.397 22.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 89.430 -8.663 23.824 1.00 0.00 H new ATOM 1255 N HIS A 517 91.197 -8.969 17.964 1.00 0.00 N ATOM 1256 CA HIS A 517 90.553 -9.127 16.667 1.00 0.00 C ATOM 1257 C HIS A 517 91.422 -9.964 15.735 1.00 0.00 C ATOM 1258 O HIS A 517 92.580 -9.632 15.486 1.00 0.00 O ATOM 1259 CB HIS A 517 90.273 -7.758 16.040 1.00 0.00 C ATOM 1260 CG HIS A 517 89.754 -6.744 17.013 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.418 -6.620 17.333 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.402 -5.801 17.740 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.266 -5.645 18.212 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.454 -5.133 18.475 1.00 0.00 N ATOM 0 H HIS A 517 92.215 -9.025 17.938 1.00 0.00 H new ATOM 0 HA HIS A 517 89.606 -9.645 16.816 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.191 -7.380 15.590 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.549 -7.879 15.234 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.465 -5.611 17.741 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.329 -5.322 18.642 1.00 0.00 H new ATOM 0 HE2 HIS A 517 89.638 -4.365 19.120 1.00 0.00 H new ATOM 1273 N CYS A 518 90.856 -11.053 15.225 1.00 0.00 N ATOM 1274 CA CYS A 518 91.581 -11.941 14.322 1.00 0.00 C ATOM 1275 C CYS A 518 92.151 -11.163 13.142 1.00 0.00 C ATOM 1276 O CYS A 518 91.479 -10.975 12.128 1.00 0.00 O ATOM 1277 CB CYS A 518 90.658 -13.053 13.821 1.00 0.00 C ATOM 1278 SG CYS A 518 90.495 -14.447 14.963 1.00 0.00 S ATOM 0 H CYS A 518 89.898 -11.342 15.421 1.00 0.00 H new ATOM 0 HA CYS A 518 92.409 -12.388 14.873 1.00 0.00 H new ATOM 0 HB2 CYS A 518 89.670 -12.633 13.633 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.035 -13.421 12.867 1.00 0.00 H new ATOM 0 HG CYS A 518 91.618 -14.626 15.593 1.00 0.00 H new ATOM 1284 N TRP A 519 93.391 -10.705 13.281 1.00 0.00 N ATOM 1285 CA TRP A 519 94.039 -9.940 12.224 1.00 0.00 C ATOM 1286 C TRP A 519 95.163 -10.723 11.568 1.00 0.00 C ATOM 1287 O TRP A 519 95.872 -11.493 12.215 1.00 0.00 O ATOM 1288 CB TRP A 519 94.572 -8.620 12.768 1.00 0.00 C ATOM 1289 CG TRP A 519 94.320 -7.475 11.842 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.682 -7.529 10.639 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.697 -6.111 12.039 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.636 -6.285 10.075 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.253 -5.390 10.916 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.364 -5.429 13.057 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.460 -4.016 10.786 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.569 -4.069 12.928 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.117 -3.375 11.801 1.00 0.00 C ATOM 0 H TRP A 519 93.964 -10.850 14.112 1.00 0.00 H new ATOM 0 HA TRP A 519 93.285 -9.736 11.464 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.106 -8.413 13.731 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.644 -8.710 12.945 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.272 -8.425 10.196 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.212 -6.058 9.175 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.715 -5.956 13.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 94.114 -3.478 9.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.087 -3.533 13.710 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.290 -2.311 11.730 1.00 0.00 H new ATOM 1308 N LYS A 520 95.303 -10.515 10.268 1.00 0.00 N ATOM 1309 CA LYS A 520 96.320 -11.188 9.479 1.00 0.00 C ATOM 1310 C LYS A 520 97.410 -10.217 9.043 1.00 0.00 C ATOM 1311 O LYS A 520 97.121 -9.147 8.502 1.00 0.00 O ATOM 1312 CB LYS A 520 95.669 -11.814 8.257 1.00 0.00 C ATOM 1313 CG LYS A 520 94.278 -12.360 8.536 1.00 0.00 C ATOM 1314 CD LYS A 520 94.329 -13.534 9.500 1.00 0.00 C ATOM 1315 CE LYS A 520 92.939 -14.058 9.822 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.681 -15.378 9.183 1.00 0.00 N ATOM 0 H LYS A 520 94.716 -9.876 9.732 1.00 0.00 H new ATOM 0 HA LYS A 520 96.783 -11.960 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.608 -11.069 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.302 -12.621 7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.652 -11.571 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.814 -12.674 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.928 -14.335 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 520 94.825 -13.227 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 520 92.827 -14.150 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.193 -13.339 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.723 -15.700 9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.763 -15.286 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 93.377 -16.071 9.525 1.00 0.00 H new ATOM 1330 N LEU A 521 98.661 -10.599 9.267 1.00 0.00 N ATOM 1331 CA LEU A 521 99.792 -9.763 8.884 1.00 0.00 C ATOM 1332 C LEU A 521 100.847 -10.589 8.155 1.00 0.00 C ATOM 1333 O LEU A 521 101.447 -11.495 8.733 1.00 0.00 O ATOM 1334 CB LEU A 521 100.405 -9.099 10.119 1.00 0.00 C ATOM 1335 CG LEU A 521 100.331 -7.572 10.141 1.00 0.00 C ATOM 1336 CD1 LEU A 521 101.276 -6.975 9.111 1.00 0.00 C ATOM 1337 CD2 LEU A 521 98.905 -7.106 9.895 1.00 0.00 C ATOM 0 H LEU A 521 98.918 -11.481 9.711 1.00 0.00 H new ATOM 0 HA LEU A 521 99.431 -8.987 8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 521 99.902 -9.484 11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.451 -9.397 10.191 1.00 0.00 H new ATOM 0 HG LEU A 521 100.640 -7.226 11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 521 101.208 -5.888 9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 521 102.298 -7.282 9.334 1.00 0.00 H new ATOM 0 HD13 LEU A 521 101.000 -7.327 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.870 -6.017 9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.568 -7.463 8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 521 98.253 -7.504 10.673 1.00 0.00 H new ATOM 1349 N GLU A 522 101.061 -10.276 6.883 1.00 0.00 N ATOM 1350 CA GLU A 522 102.037 -10.997 6.075 1.00 0.00 C ATOM 1351 C GLU A 522 102.826 -10.038 5.190 1.00 0.00 C ATOM 1352 O GLU A 522 102.280 -9.066 4.671 1.00 0.00 O ATOM 1353 CB GLU A 522 101.335 -12.050 5.215 1.00 0.00 C ATOM 1354 CG GLU A 522 102.268 -13.126 4.685 1.00 0.00 C ATOM 1355 CD GLU A 522 102.181 -13.280 3.180 1.00 0.00 C ATOM 1356 OE1 GLU A 522 103.188 -13.002 2.495 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.105 -13.678 2.685 1.00 0.00 O ATOM 0 H GLU A 522 100.573 -9.529 6.389 1.00 0.00 H new ATOM 0 HA GLU A 522 102.736 -11.495 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.548 -12.522 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.850 -11.555 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 522 103.293 -12.883 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.026 -14.077 5.159 1.00 0.00 H new ATOM 1364 N ILE A 523 104.113 -10.319 5.021 1.00 0.00 N ATOM 1365 CA ILE A 523 104.978 -9.481 4.197 1.00 0.00 C ATOM 1366 C ILE A 523 105.239 -10.128 2.842 1.00 0.00 C ATOM 1367 O ILE A 523 105.784 -11.230 2.765 1.00 0.00 O ATOM 1368 CB ILE A 523 106.322 -9.204 4.896 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.087 -8.586 6.276 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.188 -8.289 4.041 1.00 0.00 C ATOM 1371 CD1 ILE A 523 106.836 -9.285 7.389 1.00 0.00 C ATOM 0 H ILE A 523 104.581 -11.121 5.443 1.00 0.00 H new ATOM 0 HA ILE A 523 104.457 -8.535 4.047 1.00 0.00 H new ATOM 0 HB ILE A 523 106.847 -10.150 5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.386 -7.538 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.020 -8.608 6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.134 -8.103 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.380 -8.764 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 523 106.670 -7.343 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 523 106.621 -8.792 8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 523 106.520 -10.327 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 523 107.907 -9.240 7.191 1.00 0.00 H new ATOM 1383 N LEU A 524 104.847 -9.439 1.774 1.00 0.00 N ATOM 1384 CA LEU A 524 105.040 -9.952 0.422 1.00 0.00 C ATOM 1385 C LEU A 524 106.517 -10.215 0.152 1.00 0.00 C ATOM 1386 O LEU A 524 107.386 -9.515 0.672 1.00 0.00 O ATOM 1387 CB LEU A 524 104.481 -8.968 -0.609 1.00 0.00 C ATOM 1388 CG LEU A 524 102.960 -8.805 -0.588 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.451 -8.362 -1.951 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.292 -10.105 -0.164 1.00 0.00 C ATOM 0 H LEU A 524 104.395 -8.526 1.819 1.00 0.00 H new ATOM 0 HA LEU A 524 104.499 -10.894 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.938 -7.993 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 524 104.783 -9.297 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 524 102.706 -8.034 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.367 -8.251 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 524 102.905 -7.407 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.716 -9.110 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.210 -9.972 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.554 -10.895 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.633 -10.380 0.834 1.00 0.00 H new ATOM 1402 N SER A 525 106.795 -11.236 -0.651 1.00 0.00 N ATOM 1403 CA SER A 525 108.171 -11.602 -0.973 1.00 0.00 C ATOM 1404 C SER A 525 108.296 -12.113 -2.404 1.00 0.00 C ATOM 1405 O SER A 525 107.308 -12.500 -3.027 1.00 0.00 O ATOM 1406 CB SER A 525 108.682 -12.658 0.006 1.00 0.00 C ATOM 1407 OG SER A 525 110.092 -12.597 0.133 1.00 0.00 O ATOM 0 H SER A 525 106.088 -11.825 -1.091 1.00 0.00 H new ATOM 0 HA SER A 525 108.781 -10.703 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.219 -12.508 0.981 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.387 -13.650 -0.338 1.00 0.00 H new ATOM 0 HG SER A 525 110.393 -13.282 0.766 1.00 0.00 H new ATOM 1413 N GLY A 526 109.525 -12.116 -2.911 1.00 0.00 N ATOM 1414 CA GLY A 526 109.778 -12.589 -4.257 1.00 0.00 C ATOM 1415 C GLY A 526 108.883 -11.939 -5.291 1.00 0.00 C ATOM 1416 O GLY A 526 108.708 -10.721 -5.295 1.00 0.00 O ATOM 0 H GLY A 526 110.354 -11.797 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.820 -12.397 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.636 -13.669 -4.289 1.00 0.00 H new ATOM 1420 N ASP A 527 108.323 -12.756 -6.176 1.00 0.00 N ATOM 1421 CA ASP A 527 107.447 -12.260 -7.230 1.00 0.00 C ATOM 1422 C ASP A 527 106.190 -11.618 -6.653 1.00 0.00 C ATOM 1423 O ASP A 527 105.624 -10.701 -7.249 1.00 0.00 O ATOM 1424 CB ASP A 527 107.066 -13.403 -8.173 1.00 0.00 C ATOM 1425 CG ASP A 527 108.264 -14.240 -8.577 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.060 -15.363 -9.083 1.00 0.00 O ATOM 1427 OD2 ASP A 527 109.407 -13.772 -8.386 1.00 0.00 O ATOM 0 H ASP A 527 108.461 -13.767 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 527 107.989 -11.495 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.327 -14.041 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 527 106.595 -12.992 -9.066 1.00 0.00 H new ATOM 1432 N HIS A 528 105.750 -12.102 -5.495 1.00 0.00 N ATOM 1433 CA HIS A 528 104.554 -11.564 -4.857 1.00 0.00 C ATOM 1434 C HIS A 528 104.753 -10.103 -4.462 1.00 0.00 C ATOM 1435 O HIS A 528 103.897 -9.259 -4.727 1.00 0.00 O ATOM 1436 CB HIS A 528 104.190 -12.393 -3.625 1.00 0.00 C ATOM 1437 CG HIS A 528 102.734 -12.734 -3.542 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.210 -13.569 -2.578 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.688 -12.347 -4.311 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.905 -13.682 -2.758 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.565 -12.950 -3.801 1.00 0.00 N ATOM 0 H HIS A 528 106.200 -12.860 -4.983 1.00 0.00 H new ATOM 0 HA HIS A 528 103.737 -11.617 -5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.771 -13.315 -3.633 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.478 -11.843 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.730 -11.688 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.232 -14.273 -2.154 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.619 -12.848 -4.170 1.00 0.00 H new ATOM 1450 N GLU A 529 105.889 -9.808 -3.836 1.00 0.00 N ATOM 1451 CA GLU A 529 106.192 -8.443 -3.418 1.00 0.00 C ATOM 1452 C GLU A 529 106.424 -7.545 -4.628 1.00 0.00 C ATOM 1453 O GLU A 529 105.909 -6.428 -4.700 1.00 0.00 O ATOM 1454 CB GLU A 529 107.425 -8.427 -2.513 1.00 0.00 C ATOM 1455 CG GLU A 529 108.112 -7.073 -2.442 1.00 0.00 C ATOM 1456 CD GLU A 529 109.255 -7.052 -1.446 1.00 0.00 C ATOM 1457 OE1 GLU A 529 109.111 -6.403 -0.389 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.294 -7.689 -1.722 1.00 0.00 O ATOM 0 H GLU A 529 106.611 -10.492 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 529 105.337 -8.060 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.131 -8.729 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 529 108.139 -9.168 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.490 -6.809 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.381 -6.313 -2.167 1.00 0.00 H new ATOM 1465 N GLN A 530 107.202 -8.048 -5.581 1.00 0.00 N ATOM 1466 CA GLN A 530 107.502 -7.295 -6.792 1.00 0.00 C ATOM 1467 C GLN A 530 106.230 -7.034 -7.595 1.00 0.00 C ATOM 1468 O GLN A 530 106.037 -5.945 -8.135 1.00 0.00 O ATOM 1469 CB GLN A 530 108.536 -8.041 -7.646 1.00 0.00 C ATOM 1470 CG GLN A 530 107.932 -8.898 -8.748 1.00 0.00 C ATOM 1471 CD GLN A 530 107.431 -8.074 -9.917 1.00 0.00 C ATOM 1472 OE1 GLN A 530 107.827 -6.922 -10.094 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.555 -8.662 -10.723 1.00 0.00 N ATOM 0 H GLN A 530 107.635 -8.971 -5.538 1.00 0.00 H new ATOM 0 HA GLN A 530 107.924 -6.333 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.212 -7.314 -8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 530 109.138 -8.676 -6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.679 -9.608 -9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 530 107.107 -9.481 -8.339 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.254 -9.619 -10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.183 -8.157 -11.527 1.00 0.00 H new ATOM 1482 N ARG A 531 105.364 -8.042 -7.665 1.00 0.00 N ATOM 1483 CA ARG A 531 104.109 -7.921 -8.396 1.00 0.00 C ATOM 1484 C ARG A 531 103.282 -6.762 -7.854 1.00 0.00 C ATOM 1485 O ARG A 531 102.906 -5.853 -8.594 1.00 0.00 O ATOM 1486 CB ARG A 531 103.312 -9.223 -8.301 1.00 0.00 C ATOM 1487 CG ARG A 531 101.977 -9.175 -9.026 1.00 0.00 C ATOM 1488 CD ARG A 531 100.897 -9.914 -8.254 1.00 0.00 C ATOM 1489 NE ARG A 531 99.561 -9.623 -8.764 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.443 -9.911 -8.106 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.505 -10.494 -6.917 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.262 -9.619 -8.635 1.00 0.00 N ATOM 0 H ARG A 531 105.510 -8.950 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 531 104.340 -7.723 -9.443 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.910 -10.036 -8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.137 -9.456 -7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.677 -8.137 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 531 102.084 -9.616 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.081 -10.987 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.951 -9.637 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 531 99.481 -9.174 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 531 99.411 -10.722 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 531 97.647 -10.715 -6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.210 -9.172 -9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 531 96.406 -9.842 -8.127 1.00 0.00 H new ATOM 1506 N TYR A 532 103.011 -6.792 -6.555 1.00 0.00 N ATOM 1507 CA TYR A 532 102.238 -5.735 -5.921 1.00 0.00 C ATOM 1508 C TYR A 532 102.821 -4.371 -6.273 1.00 0.00 C ATOM 1509 O TYR A 532 102.088 -3.429 -6.582 1.00 0.00 O ATOM 1510 CB TYR A 532 102.218 -5.932 -4.404 1.00 0.00 C ATOM 1511 CG TYR A 532 101.508 -4.827 -3.657 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.148 -3.626 -3.392 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.202 -4.989 -3.212 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.507 -2.612 -2.705 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.553 -3.979 -2.526 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.210 -2.794 -2.274 1.00 0.00 C ATOM 1517 OH TYR A 532 99.568 -1.788 -1.589 1.00 0.00 O ATOM 0 H TYR A 532 103.314 -7.534 -5.924 1.00 0.00 H new ATOM 0 HA TYR A 532 101.214 -5.780 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.734 -6.882 -4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.244 -6.002 -4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.164 -3.480 -3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.686 -5.918 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.019 -1.682 -2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.536 -4.118 -2.189 1.00 0.00 H new ATOM 0 HH TYR A 532 100.195 -1.366 -0.965 1.00 0.00 H new ATOM 1527 N TRP A 533 104.145 -4.273 -6.242 1.00 0.00 N ATOM 1528 CA TRP A 533 104.813 -3.023 -6.574 1.00 0.00 C ATOM 1529 C TRP A 533 104.509 -2.622 -8.010 1.00 0.00 C ATOM 1530 O TRP A 533 104.243 -1.453 -8.293 1.00 0.00 O ATOM 1531 CB TRP A 533 106.318 -3.145 -6.356 1.00 0.00 C ATOM 1532 CG TRP A 533 106.718 -2.766 -4.968 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.146 -3.604 -3.982 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.703 -1.451 -4.405 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.399 -2.890 -2.838 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.137 -1.564 -3.073 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.368 -0.188 -4.901 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.242 -0.460 -2.228 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.474 0.906 -4.063 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.908 0.764 -2.740 1.00 0.00 C ATOM 0 H TRP A 533 104.772 -5.038 -5.992 1.00 0.00 H new ATOM 0 HA TRP A 533 104.435 -2.244 -5.913 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.631 -4.170 -6.556 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.840 -2.508 -7.070 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.268 -4.672 -4.086 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.729 -3.282 -1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.032 -0.069 -5.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.575 -0.567 -1.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.218 1.887 -4.435 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.981 1.638 -2.110 1.00 0.00 H new ATOM 1551 N GLN A 534 104.526 -3.598 -8.912 1.00 0.00 N ATOM 1552 CA GLN A 534 104.226 -3.331 -10.309 1.00 0.00 C ATOM 1553 C GLN A 534 102.942 -2.523 -10.397 1.00 0.00 C ATOM 1554 O GLN A 534 102.859 -1.537 -11.131 1.00 0.00 O ATOM 1555 CB GLN A 534 104.079 -4.635 -11.091 1.00 0.00 C ATOM 1556 CG GLN A 534 105.400 -5.333 -11.365 1.00 0.00 C ATOM 1557 CD GLN A 534 105.919 -5.067 -12.764 1.00 0.00 C ATOM 1558 OE1 GLN A 534 105.851 -3.811 -13.192 1.00 0.00 O flip ATOM 1559 NE2 GLN A 534 106.375 -5.979 -13.453 1.00 0.00 N flip ATOM 0 H GLN A 534 104.743 -4.572 -8.701 1.00 0.00 H new ATOM 0 HA GLN A 534 105.048 -2.765 -10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.429 -5.311 -10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.585 -4.426 -12.040 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.140 -5.001 -10.637 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.275 -6.407 -11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 534 106.408 -6.929 -13.084 1.00 0.00 H new ATOM 0 HE22 GLN A 534 106.720 -5.785 -14.393 1.00 0.00 H new ATOM 1568 N LYS A 535 101.948 -2.940 -9.619 1.00 0.00 N ATOM 1569 CA LYS A 535 100.669 -2.248 -9.582 1.00 0.00 C ATOM 1570 C LYS A 535 100.875 -0.825 -9.072 1.00 0.00 C ATOM 1571 O LYS A 535 100.263 0.120 -9.570 1.00 0.00 O ATOM 1572 CB LYS A 535 99.677 -3.015 -8.694 1.00 0.00 C ATOM 1573 CG LYS A 535 98.785 -2.128 -7.837 1.00 0.00 C ATOM 1574 CD LYS A 535 99.447 -1.800 -6.508 1.00 0.00 C ATOM 1575 CE LYS A 535 98.795 -2.553 -5.359 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.455 -2.000 -5.022 1.00 0.00 N ATOM 0 H LYS A 535 102.006 -3.754 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 535 100.251 -2.200 -10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.047 -3.638 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.236 -3.686 -8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.563 -1.205 -8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.834 -2.629 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.506 -2.053 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.384 -0.728 -6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.697 -3.606 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.439 -2.504 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.103 -2.448 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.530 -0.973 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.794 -2.192 -5.802 1.00 0.00 H new ATOM 1590 N ILE A 536 101.754 -0.682 -8.082 1.00 0.00 N ATOM 1591 CA ILE A 536 102.057 0.626 -7.512 1.00 0.00 C ATOM 1592 C ILE A 536 102.670 1.545 -8.562 1.00 0.00 C ATOM 1593 O ILE A 536 102.105 2.586 -8.900 1.00 0.00 O ATOM 1594 CB ILE A 536 103.036 0.516 -6.327 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.393 -0.238 -5.162 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.485 1.900 -5.883 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.257 -0.274 -3.919 1.00 0.00 C ATOM 0 H ILE A 536 102.267 -1.456 -7.659 1.00 0.00 H new ATOM 0 HA ILE A 536 101.113 1.041 -7.159 1.00 0.00 H new ATOM 0 HB ILE A 536 103.911 -0.046 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.439 0.229 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.177 -1.259 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.176 1.807 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.984 2.404 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.617 2.482 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.740 -0.824 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.202 -0.768 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.452 0.744 -3.582 1.00 0.00 H new ATOM 1609 N LEU A 537 103.832 1.149 -9.073 1.00 0.00 N ATOM 1610 CA LEU A 537 104.533 1.929 -10.087 1.00 0.00 C ATOM 1611 C LEU A 537 103.585 2.360 -11.200 1.00 0.00 C ATOM 1612 O LEU A 537 103.377 3.553 -11.423 1.00 0.00 O ATOM 1613 CB LEU A 537 105.689 1.114 -10.674 1.00 0.00 C ATOM 1614 CG LEU A 537 107.069 1.435 -10.097 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.333 2.933 -10.137 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.188 0.908 -8.675 1.00 0.00 C ATOM 0 H LEU A 537 104.309 0.290 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 537 104.930 2.825 -9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.484 0.055 -10.516 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.716 1.276 -11.752 1.00 0.00 H new ATOM 0 HG LEU A 537 107.821 0.940 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.320 3.140 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 537 107.293 3.282 -11.169 1.00 0.00 H new ATOM 0 HD13 LEU A 537 106.576 3.452 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.176 1.145 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 537 106.426 1.373 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.047 -0.173 -8.675 1.00 0.00 H new ATOM 1628 N VAL A 538 103.015 1.384 -11.898 1.00 0.00 N ATOM 1629 CA VAL A 538 102.092 1.666 -12.988 1.00 0.00 C ATOM 1630 C VAL A 538 100.988 2.620 -12.547 1.00 0.00 C ATOM 1631 O VAL A 538 100.576 3.500 -13.305 1.00 0.00 O ATOM 1632 CB VAL A 538 101.447 0.378 -13.529 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.458 0.701 -14.638 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.513 -0.588 -14.020 1.00 0.00 C ATOM 0 H VAL A 538 103.177 0.391 -11.728 1.00 0.00 H new ATOM 0 HA VAL A 538 102.679 2.133 -13.779 1.00 0.00 H new ATOM 0 HB VAL A 538 100.902 -0.102 -12.716 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.012 -0.222 -15.008 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.675 1.352 -14.249 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.977 1.205 -15.453 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.038 -1.493 -14.399 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.089 -0.119 -14.818 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.178 -0.846 -13.196 1.00 0.00 H new ATOM 1644 N ASP A 539 100.509 2.446 -11.319 1.00 0.00 N ATOM 1645 CA ASP A 539 99.451 3.300 -10.794 1.00 0.00 C ATOM 1646 C ASP A 539 99.930 4.742 -10.687 1.00 0.00 C ATOM 1647 O ASP A 539 99.187 5.678 -10.981 1.00 0.00 O ATOM 1648 CB ASP A 539 98.993 2.801 -9.423 1.00 0.00 C ATOM 1649 CG ASP A 539 97.722 3.484 -8.958 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.427 3.427 -7.746 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.023 4.078 -9.805 1.00 0.00 O ATOM 0 H ASP A 539 100.834 1.726 -10.673 1.00 0.00 H new ATOM 0 HA ASP A 539 98.608 3.261 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.829 1.724 -9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.784 2.974 -8.693 1.00 0.00 H new ATOM 1656 N ARG A 540 101.183 4.913 -10.280 1.00 0.00 N ATOM 1657 CA ARG A 540 101.764 6.242 -10.152 1.00 0.00 C ATOM 1658 C ARG A 540 101.820 6.923 -11.514 1.00 0.00 C ATOM 1659 O ARG A 540 101.534 8.114 -11.639 1.00 0.00 O ATOM 1660 CB ARG A 540 103.163 6.155 -9.540 1.00 0.00 C ATOM 1661 CG ARG A 540 103.184 5.516 -8.159 1.00 0.00 C ATOM 1662 CD ARG A 540 103.541 6.526 -7.080 1.00 0.00 C ATOM 1663 NE ARG A 540 103.196 6.046 -5.743 1.00 0.00 N ATOM 1664 CZ ARG A 540 104.010 5.314 -4.988 1.00 0.00 C ATOM 1665 NH1 ARG A 540 105.210 4.975 -5.438 1.00 0.00 N ATOM 1666 NH2 ARG A 540 103.625 4.920 -3.782 1.00 0.00 N ATOM 0 H ARG A 540 101.813 4.150 -10.034 1.00 0.00 H new ATOM 0 HA ARG A 540 101.135 6.837 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.807 5.582 -10.207 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.585 7.158 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.208 5.082 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 540 103.905 4.699 -8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 540 104.609 6.740 -7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 540 103.019 7.463 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 540 102.278 6.286 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 540 105.511 5.276 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 540 105.833 4.414 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 540 102.703 5.178 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 540 104.251 4.359 -3.205 1.00 0.00 H new ATOM 1680 N GLN A 541 102.182 6.153 -12.536 1.00 0.00 N ATOM 1681 CA GLN A 541 102.267 6.672 -13.897 1.00 0.00 C ATOM 1682 C GLN A 541 100.897 7.128 -14.382 1.00 0.00 C ATOM 1683 O GLN A 541 100.765 8.180 -15.009 1.00 0.00 O ATOM 1684 CB GLN A 541 102.825 5.606 -14.845 1.00 0.00 C ATOM 1685 CG GLN A 541 103.752 4.610 -14.168 1.00 0.00 C ATOM 1686 CD GLN A 541 104.800 5.284 -13.303 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.827 6.509 -13.182 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.669 4.485 -12.696 1.00 0.00 N ATOM 0 H GLN A 541 102.422 5.166 -12.447 1.00 0.00 H new ATOM 0 HA GLN A 541 102.942 7.528 -13.892 1.00 0.00 H new ATOM 0 HB2 GLN A 541 101.994 5.065 -15.298 1.00 0.00 H new ATOM 0 HB3 GLN A 541 103.364 6.099 -15.654 1.00 0.00 H new ATOM 0 HG2 GLN A 541 103.162 3.930 -13.554 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.247 4.006 -14.928 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.609 3.475 -12.825 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.396 4.881 -12.101 1.00 0.00 H new ATOM 1697 N ALA A 542 99.876 6.328 -14.085 1.00 0.00 N ATOM 1698 CA ALA A 542 98.512 6.645 -14.486 1.00 0.00 C ATOM 1699 C ALA A 542 98.056 7.955 -13.860 1.00 0.00 C ATOM 1700 O ALA A 542 97.337 8.738 -14.482 1.00 0.00 O ATOM 1701 CB ALA A 542 97.559 5.520 -14.109 1.00 0.00 C ATOM 0 H ALA A 542 99.970 5.454 -13.567 1.00 0.00 H new ATOM 0 HA ALA A 542 98.500 6.756 -15.570 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.547 5.781 -14.419 1.00 0.00 H new ATOM 0 HB2 ALA A 542 97.866 4.601 -14.608 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.581 5.371 -13.029 1.00 0.00 H new ATOM 1707 N LYS A 543 98.486 8.190 -12.625 1.00 0.00 N ATOM 1708 CA LYS A 543 98.131 9.407 -11.912 1.00 0.00 C ATOM 1709 C LYS A 543 98.662 10.631 -12.656 1.00 0.00 C ATOM 1710 O LYS A 543 98.043 11.694 -12.649 1.00 0.00 O ATOM 1711 CB LYS A 543 98.685 9.352 -10.482 1.00 0.00 C ATOM 1712 CG LYS A 543 99.149 10.694 -9.937 1.00 0.00 C ATOM 1713 CD LYS A 543 99.688 10.563 -8.522 1.00 0.00 C ATOM 1714 CE LYS A 543 101.039 9.868 -8.503 1.00 0.00 C ATOM 1715 NZ LYS A 543 102.163 10.842 -8.572 1.00 0.00 N ATOM 0 H LYS A 543 99.082 7.551 -12.098 1.00 0.00 H new ATOM 0 HA LYS A 543 97.045 9.488 -11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 543 97.915 8.952 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.522 8.654 -10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 543 99.923 11.104 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 543 98.318 11.399 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 543 99.780 11.552 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 543 98.980 10.001 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 543 101.129 9.273 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 543 101.104 9.177 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 103.068 10.330 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 102.092 11.393 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 102.116 11.485 -7.756 1.00 0.00 H new ATOM 1729 N LEU A 544 99.811 10.466 -13.305 1.00 0.00 N ATOM 1730 CA LEU A 544 100.425 11.549 -14.062 1.00 0.00 C ATOM 1731 C LEU A 544 99.467 12.072 -15.126 1.00 0.00 C ATOM 1732 O LEU A 544 99.503 13.249 -15.486 1.00 0.00 O ATOM 1733 CB LEU A 544 101.723 11.068 -14.719 1.00 0.00 C ATOM 1734 CG LEU A 544 102.984 11.826 -14.300 1.00 0.00 C ATOM 1735 CD1 LEU A 544 102.881 13.291 -14.691 1.00 0.00 C ATOM 1736 CD2 LEU A 544 103.216 11.687 -12.803 1.00 0.00 C ATOM 0 H LEU A 544 100.335 9.591 -13.321 1.00 0.00 H new ATOM 0 HA LEU A 544 100.655 12.361 -13.372 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.859 10.012 -14.487 1.00 0.00 H new ATOM 0 HB3 LEU A 544 101.614 11.145 -15.801 1.00 0.00 H new ATOM 0 HG LEU A 544 103.836 11.391 -14.822 1.00 0.00 H new ATOM 0 HD11 LEU A 544 103.787 13.814 -14.385 1.00 0.00 H new ATOM 0 HD12 LEU A 544 102.763 13.372 -15.772 1.00 0.00 H new ATOM 0 HD13 LEU A 544 102.019 13.740 -14.197 1.00 0.00 H new ATOM 0 HD21 LEU A 544 104.117 12.232 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 544 102.362 12.095 -12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 544 103.336 10.634 -12.550 1.00 0.00 H new ATOM 1748 N ASN A 545 98.610 11.189 -15.626 1.00 0.00 N ATOM 1749 CA ASN A 545 97.638 11.556 -16.648 1.00 0.00 C ATOM 1750 C ASN A 545 98.321 11.775 -17.996 1.00 0.00 C ATOM 1751 O ASN A 545 99.386 12.387 -18.071 1.00 0.00 O ATOM 1752 CB ASN A 545 96.884 12.820 -16.233 1.00 0.00 C ATOM 1753 CG ASN A 545 96.255 12.692 -14.859 1.00 0.00 C ATOM 1754 OD1 ASN A 545 96.313 13.617 -14.048 1.00 0.00 O ATOM 1755 ND2 ASN A 545 95.650 11.541 -14.590 1.00 0.00 N ATOM 0 H ASN A 545 98.569 10.211 -15.339 1.00 0.00 H new ATOM 0 HA ASN A 545 96.928 10.735 -16.751 1.00 0.00 H new ATOM 0 HB2 ASN A 545 97.570 13.667 -16.238 1.00 0.00 H new ATOM 0 HB3 ASN A 545 96.107 13.034 -16.967 1.00 0.00 H new ATOM 0 HD21 ASN A 545 95.209 11.397 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 545 95.626 10.801 -15.292 1.00 0.00 H new ATOM 1762 N GLN A 546 97.699 11.272 -19.057 1.00 0.00 N ATOM 1763 CA GLN A 546 98.245 11.414 -20.402 1.00 0.00 C ATOM 1764 C GLN A 546 99.751 11.172 -20.411 1.00 0.00 C ATOM 1765 O GLN A 546 100.537 12.092 -20.642 1.00 0.00 O ATOM 1766 CB GLN A 546 97.940 12.808 -20.952 1.00 0.00 C ATOM 1767 CG GLN A 546 97.009 12.797 -22.154 1.00 0.00 C ATOM 1768 CD GLN A 546 96.487 14.179 -22.495 1.00 0.00 C ATOM 1769 OE1 GLN A 546 97.003 15.187 -22.012 1.00 0.00 O ATOM 1770 NE2 GLN A 546 95.457 14.235 -23.332 1.00 0.00 N ATOM 0 H GLN A 546 96.817 10.762 -19.012 1.00 0.00 H new ATOM 0 HA GLN A 546 97.773 10.665 -21.038 1.00 0.00 H new ATOM 0 HB2 GLN A 546 97.493 13.411 -20.162 1.00 0.00 H new ATOM 0 HB3 GLN A 546 98.876 13.292 -21.232 1.00 0.00 H new ATOM 0 HG2 GLN A 546 97.538 12.389 -23.015 1.00 0.00 H new ATOM 0 HG3 GLN A 546 96.168 12.134 -21.952 1.00 0.00 H new ATOM 0 HE21 GLN A 546 95.059 13.375 -23.709 1.00 0.00 H new ATOM 0 HE22 GLN A 546 95.064 15.138 -23.597 1.00 0.00 H new ATOM 1779 N PRO A 547 100.170 9.924 -20.158 1.00 0.00 N ATOM 1780 CA PRO A 547 101.588 9.553 -20.137 1.00 0.00 C ATOM 1781 C PRO A 547 102.250 9.713 -21.502 1.00 0.00 C ATOM 1782 O PRO A 547 101.921 9.000 -22.451 1.00 0.00 O ATOM 1783 CB PRO A 547 101.572 8.079 -19.721 1.00 0.00 C ATOM 1784 CG PRO A 547 100.201 7.597 -20.049 1.00 0.00 C ATOM 1785 CD PRO A 547 99.291 8.779 -19.874 1.00 0.00 C ATOM 0 HA PRO A 547 102.162 10.191 -19.464 1.00 0.00 H new ATOM 0 HB2 PRO A 547 102.329 7.509 -20.260 1.00 0.00 H new ATOM 0 HB3 PRO A 547 101.785 7.967 -18.658 1.00 0.00 H new ATOM 0 HG2 PRO A 547 100.155 7.218 -21.070 1.00 0.00 H new ATOM 0 HG3 PRO A 547 99.908 6.779 -19.391 1.00 0.00 H new ATOM 0 HD2 PRO A 547 98.445 8.741 -20.560 1.00 0.00 H new ATOM 0 HD3 PRO A 547 98.881 8.826 -18.865 1.00 0.00 H new ATOM 1793 N ARG A 548 103.184 10.653 -21.593 1.00 0.00 N ATOM 1794 CA ARG A 548 103.894 10.910 -22.840 1.00 0.00 C ATOM 1795 C ARG A 548 105.355 10.483 -22.735 1.00 0.00 C ATOM 1796 O ARG A 548 106.229 11.295 -22.432 1.00 0.00 O ATOM 1797 CB ARG A 548 103.810 12.395 -23.201 1.00 0.00 C ATOM 1798 CG ARG A 548 102.953 12.676 -24.425 1.00 0.00 C ATOM 1799 CD ARG A 548 103.800 12.826 -25.677 1.00 0.00 C ATOM 1800 NE ARG A 548 104.908 11.878 -25.705 1.00 0.00 N ATOM 1801 CZ ARG A 548 104.800 10.632 -26.155 1.00 0.00 C ATOM 1802 NH1 ARG A 548 103.635 10.186 -26.603 1.00 0.00 N ATOM 1803 NH2 ARG A 548 105.858 9.831 -26.155 1.00 0.00 N ATOM 0 H ARG A 548 103.467 11.251 -20.816 1.00 0.00 H new ATOM 0 HA ARG A 548 103.419 10.323 -23.626 1.00 0.00 H new ATOM 0 HB2 ARG A 548 103.406 12.945 -22.351 1.00 0.00 H new ATOM 0 HB3 ARG A 548 104.816 12.775 -23.377 1.00 0.00 H new ATOM 0 HG2 ARG A 548 102.238 11.865 -24.563 1.00 0.00 H new ATOM 0 HG3 ARG A 548 102.375 13.586 -24.264 1.00 0.00 H new ATOM 0 HD2 ARG A 548 103.175 12.678 -26.557 1.00 0.00 H new ATOM 0 HD3 ARG A 548 104.191 13.842 -25.730 1.00 0.00 H new ATOM 0 HE ARG A 548 105.816 12.188 -25.360 1.00 0.00 H new ATOM 0 HH11 ARG A 548 102.820 10.799 -26.603 1.00 0.00 H new ATOM 0 HH12 ARG A 548 103.554 9.230 -26.948 1.00 0.00 H new ATOM 0 HH21 ARG A 548 106.755 10.171 -25.809 1.00 0.00 H new ATOM 0 HH22 ARG A 548 105.774 8.875 -26.501 1.00 0.00 H new ATOM 1817 N GLU A 549 105.613 9.204 -22.990 1.00 0.00 N ATOM 1818 CA GLU A 549 106.967 8.670 -22.926 1.00 0.00 C ATOM 1819 C GLU A 549 107.287 7.853 -24.174 1.00 0.00 C ATOM 1820 O GLU A 549 106.438 7.681 -25.048 1.00 0.00 O ATOM 1821 CB GLU A 549 107.139 7.803 -21.679 1.00 0.00 C ATOM 1822 CG GLU A 549 108.177 8.336 -20.706 1.00 0.00 C ATOM 1823 CD GLU A 549 109.152 7.268 -20.252 1.00 0.00 C ATOM 1824 OE1 GLU A 549 109.293 6.252 -20.964 1.00 0.00 O ATOM 1825 OE2 GLU A 549 109.774 7.447 -19.183 1.00 0.00 O ATOM 0 H GLU A 549 104.901 8.519 -23.243 1.00 0.00 H new ATOM 0 HA GLU A 549 107.660 9.510 -22.873 1.00 0.00 H new ATOM 0 HB2 GLU A 549 106.180 7.724 -21.167 1.00 0.00 H new ATOM 0 HB3 GLU A 549 107.422 6.795 -21.983 1.00 0.00 H new ATOM 0 HG2 GLU A 549 108.728 9.149 -21.178 1.00 0.00 H new ATOM 0 HG3 GLU A 549 107.672 8.756 -19.836 1.00 0.00 H new ATOM 1832 N LYS A 550 108.516 7.352 -24.252 1.00 0.00 N ATOM 1833 CA LYS A 550 108.944 6.553 -25.394 1.00 0.00 C ATOM 1834 C LYS A 550 110.457 6.367 -25.400 1.00 0.00 C ATOM 1835 O LYS A 550 110.958 5.271 -25.654 1.00 0.00 O ATOM 1836 CB LYS A 550 108.496 7.213 -26.699 1.00 0.00 C ATOM 1837 CG LYS A 550 107.402 6.446 -27.426 1.00 0.00 C ATOM 1838 CD LYS A 550 107.972 5.584 -28.540 1.00 0.00 C ATOM 1839 CE LYS A 550 108.839 4.463 -27.990 1.00 0.00 C ATOM 1840 NZ LYS A 550 109.303 3.543 -29.064 1.00 0.00 N ATOM 0 H LYS A 550 109.232 7.485 -23.538 1.00 0.00 H new ATOM 0 HA LYS A 550 108.479 5.571 -25.309 1.00 0.00 H new ATOM 0 HB2 LYS A 550 108.140 8.220 -26.483 1.00 0.00 H new ATOM 0 HB3 LYS A 550 109.357 7.314 -27.359 1.00 0.00 H new ATOM 0 HG2 LYS A 550 106.864 5.817 -26.717 1.00 0.00 H new ATOM 0 HG3 LYS A 550 106.679 7.148 -27.841 1.00 0.00 H new ATOM 0 HD2 LYS A 550 107.157 5.160 -29.127 1.00 0.00 H new ATOM 0 HD3 LYS A 550 108.562 6.204 -29.215 1.00 0.00 H new ATOM 0 HE2 LYS A 550 109.702 4.889 -27.479 1.00 0.00 H new ATOM 0 HE3 LYS A 550 108.275 3.899 -27.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 109.891 2.793 -28.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 108.480 3.117 -29.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 109.863 4.076 -29.760 1.00 0.00 H new ATOM 1854 N LYS A 551 111.179 7.446 -25.121 1.00 0.00 N ATOM 1855 CA LYS A 551 112.637 7.404 -25.096 1.00 0.00 C ATOM 1856 C LYS A 551 113.148 7.000 -23.717 1.00 0.00 C ATOM 1857 O LYS A 551 112.499 7.256 -22.703 1.00 0.00 O ATOM 1858 CB LYS A 551 113.216 8.765 -25.488 1.00 0.00 C ATOM 1859 CG LYS A 551 112.426 9.474 -26.577 1.00 0.00 C ATOM 1860 CD LYS A 551 113.315 10.385 -27.409 1.00 0.00 C ATOM 1861 CE LYS A 551 113.576 9.800 -28.788 1.00 0.00 C ATOM 1862 NZ LYS A 551 112.599 10.296 -29.796 1.00 0.00 N ATOM 0 H LYS A 551 110.779 8.360 -24.909 1.00 0.00 H new ATOM 0 HA LYS A 551 112.964 6.656 -25.818 1.00 0.00 H new ATOM 0 HB2 LYS A 551 113.253 9.402 -24.605 1.00 0.00 H new ATOM 0 HB3 LYS A 551 114.243 8.629 -25.826 1.00 0.00 H new ATOM 0 HG2 LYS A 551 111.953 8.735 -27.224 1.00 0.00 H new ATOM 0 HG3 LYS A 551 111.626 10.060 -26.124 1.00 0.00 H new ATOM 0 HD2 LYS A 551 112.843 11.362 -27.510 1.00 0.00 H new ATOM 0 HD3 LYS A 551 114.263 10.541 -26.893 1.00 0.00 H new ATOM 0 HE2 LYS A 551 114.587 10.056 -29.106 1.00 0.00 H new ATOM 0 HE3 LYS A 551 113.524 8.712 -28.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 112.811 9.874 -30.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 111.636 10.030 -29.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 112.666 11.332 -29.864 1.00 0.00 H new ATOM 1876 N ARG A 552 114.316 6.365 -23.687 1.00 0.00 N ATOM 1877 CA ARG A 552 114.917 5.925 -22.434 1.00 0.00 C ATOM 1878 C ARG A 552 114.038 4.885 -21.745 1.00 0.00 C ATOM 1879 O ARG A 552 113.166 5.226 -20.945 1.00 0.00 O ATOM 1880 CB ARG A 552 115.143 7.121 -21.506 1.00 0.00 C ATOM 1881 CG ARG A 552 115.898 6.772 -20.234 1.00 0.00 C ATOM 1882 CD ARG A 552 116.737 7.942 -19.746 1.00 0.00 C ATOM 1883 NE ARG A 552 116.458 8.275 -18.352 1.00 0.00 N ATOM 1884 CZ ARG A 552 117.234 9.063 -17.615 1.00 0.00 C ATOM 1885 NH1 ARG A 552 118.342 9.577 -18.132 1.00 0.00 N ATOM 1886 NH2 ARG A 552 116.907 9.334 -16.358 1.00 0.00 N ATOM 0 H ARG A 552 114.865 6.144 -24.518 1.00 0.00 H new ATOM 0 HA ARG A 552 115.879 5.465 -22.661 1.00 0.00 H new ATOM 0 HB2 ARG A 552 115.695 7.890 -22.046 1.00 0.00 H new ATOM 0 HB3 ARG A 552 114.177 7.550 -21.239 1.00 0.00 H new ATOM 0 HG2 ARG A 552 115.190 6.481 -19.458 1.00 0.00 H new ATOM 0 HG3 ARG A 552 116.542 5.912 -20.416 1.00 0.00 H new ATOM 0 HD2 ARG A 552 117.794 7.700 -19.856 1.00 0.00 H new ATOM 0 HD3 ARG A 552 116.543 8.813 -20.372 1.00 0.00 H new ATOM 0 HE ARG A 552 115.622 7.881 -17.920 1.00 0.00 H new ATOM 0 HH11 ARG A 552 118.600 9.368 -19.097 1.00 0.00 H new ATOM 0 HH12 ARG A 552 118.937 10.182 -17.565 1.00 0.00 H new ATOM 0 HH21 ARG A 552 116.058 8.937 -15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 552 117.504 9.939 -15.795 1.00 0.00 H new ATOM 1900 N GLY A 553 114.275 3.616 -22.062 1.00 0.00 N ATOM 1901 CA GLY A 553 113.499 2.542 -21.467 1.00 0.00 C ATOM 1902 C GLY A 553 113.878 1.180 -22.016 1.00 0.00 C ATOM 1903 O GLY A 553 114.806 1.064 -22.816 1.00 0.00 O ATOM 0 H GLY A 553 114.991 3.311 -22.721 1.00 0.00 H new ATOM 0 HA2 GLY A 553 113.644 2.548 -20.387 1.00 0.00 H new ATOM 0 HA3 GLY A 553 112.439 2.721 -21.647 1.00 0.00 H new ATOM 1907 N THR A 554 113.160 0.148 -21.585 1.00 0.00 N ATOM 1908 CA THR A 554 113.430 -1.212 -22.040 1.00 0.00 C ATOM 1909 C THR A 554 112.511 -2.216 -21.352 1.00 0.00 C ATOM 1910 O THR A 554 111.505 -1.841 -20.752 1.00 0.00 O ATOM 1911 CB THR A 554 114.894 -1.611 -21.777 1.00 0.00 C ATOM 1912 OG1 THR A 554 115.176 -2.925 -22.274 1.00 0.00 O ATOM 1913 CG2 THR A 554 115.201 -1.583 -20.289 1.00 0.00 C ATOM 0 H THR A 554 112.388 0.227 -20.923 1.00 0.00 H new ATOM 0 HA THR A 554 113.243 -1.229 -23.114 1.00 0.00 H new ATOM 0 HB THR A 554 115.519 -0.887 -22.300 1.00 0.00 H new ATOM 0 HG1 THR A 554 114.741 -3.046 -23.144 1.00 0.00 H new ATOM 0 HG21 THR A 554 116.240 -1.868 -20.127 1.00 0.00 H new ATOM 0 HG22 THR A 554 115.036 -0.577 -19.902 1.00 0.00 H new ATOM 0 HG23 THR A 554 114.547 -2.283 -19.769 1.00 0.00 H new ATOM 1921 N GLU A 555 112.868 -3.494 -21.443 1.00 0.00 N ATOM 1922 CA GLU A 555 112.077 -4.555 -20.828 1.00 0.00 C ATOM 1923 C GLU A 555 110.627 -4.500 -21.298 1.00 0.00 C ATOM 1924 O GLU A 555 109.784 -3.857 -20.671 1.00 0.00 O ATOM 1925 CB GLU A 555 112.135 -4.443 -19.303 1.00 0.00 C ATOM 1926 CG GLU A 555 113.383 -5.063 -18.696 1.00 0.00 C ATOM 1927 CD GLU A 555 113.322 -6.577 -18.661 1.00 0.00 C ATOM 1928 OE1 GLU A 555 112.399 -7.148 -19.277 1.00 0.00 O ATOM 1929 OE2 GLU A 555 114.198 -7.191 -18.017 1.00 0.00 O ATOM 0 H GLU A 555 113.699 -3.820 -21.936 1.00 0.00 H new ATOM 0 HA GLU A 555 112.501 -5.512 -21.133 1.00 0.00 H new ATOM 0 HB2 GLU A 555 112.088 -3.391 -19.022 1.00 0.00 H new ATOM 0 HB3 GLU A 555 111.255 -4.926 -18.878 1.00 0.00 H new ATOM 0 HG2 GLU A 555 114.255 -4.751 -19.270 1.00 0.00 H new ATOM 0 HG3 GLU A 555 113.516 -4.685 -17.683 1.00 0.00 H new ATOM 1936 N LYS A 556 110.343 -5.182 -22.403 1.00 0.00 N ATOM 1937 CA LYS A 556 108.994 -5.214 -22.957 1.00 0.00 C ATOM 1938 C LYS A 556 108.400 -6.616 -22.859 1.00 0.00 C ATOM 1939 O LYS A 556 108.902 -7.463 -22.120 1.00 0.00 O ATOM 1940 CB LYS A 556 109.008 -4.752 -24.415 1.00 0.00 C ATOM 1941 CG LYS A 556 107.794 -3.924 -24.803 1.00 0.00 C ATOM 1942 CD LYS A 556 108.182 -2.752 -25.689 1.00 0.00 C ATOM 1943 CE LYS A 556 107.115 -1.670 -25.684 1.00 0.00 C ATOM 1944 NZ LYS A 556 107.711 -0.306 -25.695 1.00 0.00 N ATOM 0 H LYS A 556 111.029 -5.720 -22.932 1.00 0.00 H new ATOM 0 HA LYS A 556 108.372 -4.534 -22.375 1.00 0.00 H new ATOM 0 HB2 LYS A 556 109.909 -4.165 -24.593 1.00 0.00 H new ATOM 0 HB3 LYS A 556 109.064 -5.626 -25.064 1.00 0.00 H new ATOM 0 HG2 LYS A 556 107.074 -4.554 -25.325 1.00 0.00 H new ATOM 0 HG3 LYS A 556 107.301 -3.555 -23.904 1.00 0.00 H new ATOM 0 HD2 LYS A 556 109.128 -2.333 -25.345 1.00 0.00 H new ATOM 0 HD3 LYS A 556 108.341 -3.103 -26.709 1.00 0.00 H new ATOM 0 HE2 LYS A 556 106.470 -1.792 -26.554 1.00 0.00 H new ATOM 0 HE3 LYS A 556 106.485 -1.784 -24.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 106.952 0.405 -25.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 108.307 -0.181 -24.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 108.292 -0.188 -26.550 1.00 0.00 H new ATOM 1958 N LEU A 557 107.328 -6.854 -23.610 1.00 0.00 N ATOM 1959 CA LEU A 557 106.665 -8.152 -23.606 1.00 0.00 C ATOM 1960 C LEU A 557 106.679 -8.766 -22.210 1.00 0.00 C ATOM 1961 O LEU A 557 107.632 -9.447 -21.830 1.00 0.00 O ATOM 1962 CB LEU A 557 107.342 -9.101 -24.599 1.00 0.00 C ATOM 1963 CG LEU A 557 107.040 -8.817 -26.073 1.00 0.00 C ATOM 1964 CD1 LEU A 557 108.329 -8.720 -26.873 1.00 0.00 C ATOM 1965 CD2 LEU A 557 106.135 -9.898 -26.648 1.00 0.00 C ATOM 0 H LEU A 557 106.901 -6.164 -24.228 1.00 0.00 H new ATOM 0 HA LEU A 557 105.629 -8.001 -23.908 1.00 0.00 H new ATOM 0 HB2 LEU A 557 108.420 -9.052 -24.448 1.00 0.00 H new ATOM 0 HB3 LEU A 557 107.035 -10.122 -24.371 1.00 0.00 H new ATOM 0 HG LEU A 557 106.522 -7.861 -26.141 1.00 0.00 H new ATOM 0 HD11 LEU A 557 108.094 -8.518 -27.918 1.00 0.00 H new ATOM 0 HD12 LEU A 557 108.944 -7.912 -26.476 1.00 0.00 H new ATOM 0 HD13 LEU A 557 108.875 -9.661 -26.799 1.00 0.00 H new ATOM 0 HD21 LEU A 557 105.930 -9.681 -27.696 1.00 0.00 H new ATOM 0 HD22 LEU A 557 106.629 -10.866 -26.568 1.00 0.00 H new ATOM 0 HD23 LEU A 557 105.198 -9.921 -26.092 1.00 0.00 H new ATOM 1977 N ILE A 558 105.618 -8.517 -21.449 1.00 0.00 N ATOM 1978 CA ILE A 558 105.510 -9.044 -20.095 1.00 0.00 C ATOM 1979 C ILE A 558 104.158 -9.716 -19.872 1.00 0.00 C ATOM 1980 O ILE A 558 103.243 -9.576 -20.683 1.00 0.00 O ATOM 1981 CB ILE A 558 105.697 -7.933 -19.044 1.00 0.00 C ATOM 1982 CG1 ILE A 558 104.457 -7.041 -18.985 1.00 0.00 C ATOM 1983 CG2 ILE A 558 106.936 -7.108 -19.362 1.00 0.00 C ATOM 1984 CD1 ILE A 558 104.687 -5.730 -18.266 1.00 0.00 C ATOM 0 H ILE A 558 104.822 -7.954 -21.748 1.00 0.00 H new ATOM 0 HA ILE A 558 106.303 -9.782 -19.979 1.00 0.00 H new ATOM 0 HB ILE A 558 105.833 -8.397 -18.067 1.00 0.00 H new ATOM 0 HG12 ILE A 558 104.120 -6.834 -20.001 1.00 0.00 H new ATOM 0 HG13 ILE A 558 103.653 -7.583 -18.486 1.00 0.00 H new ATOM 0 HG21 ILE A 558 107.056 -6.327 -18.611 1.00 0.00 H new ATOM 0 HG22 ILE A 558 107.814 -7.754 -19.357 1.00 0.00 H new ATOM 0 HG23 ILE A 558 106.827 -6.652 -20.346 1.00 0.00 H new ATOM 0 HD11 ILE A 558 103.764 -5.150 -18.263 1.00 0.00 H new ATOM 0 HD12 ILE A 558 104.995 -5.927 -17.239 1.00 0.00 H new ATOM 0 HD13 ILE A 558 105.468 -5.167 -18.777 1.00 0.00 H new ATOM 1996 N THR A 559 104.042 -10.445 -18.767 1.00 0.00 N ATOM 1997 CA THR A 559 102.803 -11.140 -18.435 1.00 0.00 C ATOM 1998 C THR A 559 101.670 -10.151 -18.180 1.00 0.00 C ATOM 1999 O THR A 559 101.877 -9.097 -17.578 1.00 0.00 O ATOM 2000 CB THR A 559 102.976 -12.038 -17.195 1.00 0.00 C ATOM 2001 OG1 THR A 559 101.796 -12.811 -16.942 1.00 0.00 O ATOM 2002 CG2 THR A 559 103.280 -11.206 -15.959 1.00 0.00 C ATOM 0 H THR A 559 104.791 -10.570 -18.086 1.00 0.00 H new ATOM 0 HA THR A 559 102.551 -11.764 -19.292 1.00 0.00 H new ATOM 0 HB THR A 559 103.810 -12.708 -17.404 1.00 0.00 H new ATOM 0 HG1 THR A 559 101.936 -13.372 -16.151 1.00 0.00 H new ATOM 0 HG21 THR A 559 103.398 -11.864 -15.098 1.00 0.00 H new ATOM 0 HG22 THR A 559 104.201 -10.645 -16.116 1.00 0.00 H new ATOM 0 HG23 THR A 559 102.459 -10.512 -15.776 1.00 0.00 H new ATOM 2010 N LYS A 560 100.472 -10.499 -18.641 1.00 0.00 N ATOM 2011 CA LYS A 560 99.305 -9.642 -18.462 1.00 0.00 C ATOM 2012 C LYS A 560 99.507 -8.293 -19.145 1.00 0.00 C ATOM 2013 O LYS A 560 100.220 -7.429 -18.636 1.00 0.00 O ATOM 2014 CB LYS A 560 99.025 -9.435 -16.973 1.00 0.00 C ATOM 2015 CG LYS A 560 97.704 -10.030 -16.513 1.00 0.00 C ATOM 2016 CD LYS A 560 96.572 -9.020 -16.616 1.00 0.00 C ATOM 2017 CE LYS A 560 95.319 -9.646 -17.203 1.00 0.00 C ATOM 2018 NZ LYS A 560 94.699 -8.779 -18.243 1.00 0.00 N ATOM 0 H LYS A 560 100.284 -11.368 -19.141 1.00 0.00 H new ATOM 0 HA LYS A 560 98.449 -10.136 -18.923 1.00 0.00 H new ATOM 0 HB2 LYS A 560 99.835 -9.879 -16.394 1.00 0.00 H new ATOM 0 HB3 LYS A 560 99.028 -8.367 -16.757 1.00 0.00 H new ATOM 0 HG2 LYS A 560 97.468 -10.906 -17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 560 97.797 -10.370 -15.482 1.00 0.00 H new ATOM 0 HD2 LYS A 560 96.350 -8.618 -15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 560 96.887 -8.182 -17.237 1.00 0.00 H new ATOM 0 HE2 LYS A 560 95.567 -10.614 -17.638 1.00 0.00 H new ATOM 0 HE3 LYS A 560 94.598 -9.830 -16.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 93.847 -9.242 -18.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 94.439 -7.864 -17.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 95.378 -8.624 -19.016 1.00 0.00 H new ATOM 2032 N ALA A 561 98.873 -8.120 -20.301 1.00 0.00 N ATOM 2033 CA ALA A 561 98.983 -6.875 -21.053 1.00 0.00 C ATOM 2034 C ALA A 561 100.387 -6.289 -20.937 1.00 0.00 C ATOM 2035 O ALA A 561 101.277 -6.734 -21.692 1.00 0.00 O ATOM 2036 CB ALA A 561 97.949 -5.863 -20.582 1.00 0.00 C ATOM 2037 OXT ALA A 561 100.583 -5.389 -20.093 1.00 0.00 O ATOM 0 H ALA A 561 98.279 -8.825 -20.737 1.00 0.00 H new ATOM 0 HA ALA A 561 98.791 -7.103 -22.101 1.00 0.00 H new ATOM 0 HB1 ALA A 561 98.051 -4.943 -21.158 1.00 0.00 H new ATOM 0 HB2 ALA A 561 96.949 -6.271 -20.725 1.00 0.00 H new ATOM 0 HB3 ALA A 561 98.105 -5.648 -19.525 1.00 0.00 H new TER 2043 ALA A 561