USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=29 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 532 TYR OH : rot 67:sc= -1.4! USER MOD Set 1.2: A 535 LYS NZ :NH3+ 174:sc= 0.0565 (180deg=0.02) USER MOD Set 2.1: A 474 THR OG1 : rot 5:sc= -2! USER MOD Set 2.2: A 510 TYR OH : rot 33:sc= 1.28 USER MOD Set 3.1: A 462 THR OG1 : rot 180:sc= -0.184 USER MOD Set 3.2: A 518 CYS SG : rot 29:sc= 0.502 USER MOD Set 3.3: A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 445 ASN : amide:sc= 0 X(o=-0.43,f=-0.43) USER MOD Set 4.2: A 447 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.3) USER MOD Single : A 439 HIS : no HD1:sc= 0 X(o=0,f=-0.00014) USER MOD Single : A 440 HIS : no HD1:sc=-0.00995 X(o=-0.0099,f=-0.19) USER MOD Single : A 441 HIS :FLIP no HD1:sc= -0.578 F(o=-1.5,f=-0.58) USER MOD Single : A 442 HIS : no HD1:sc= -0.423 K(o=-0.42,f=-1.4) USER MOD Single : A 443 HIS : no HD1:sc= -3.09 X(o=-3.1,f=-2.7!) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= -0.895 K(o=-0.89,f=-5.1!) USER MOD Single : A 453 SER OG : rot 95:sc= 1.03 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -60:sc= -1.5 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN :FLIP amide:sc= -0.819 F(o=-1.7!,f=-0.82) USER MOD Single : A 479 SER OG : rot -135:sc= 0.928 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 493 CYS SG : rot 110:sc= -6.49! USER MOD Single : A 494 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-7.5!) USER MOD Single : A 498 LYS NZ :NH3+ -151:sc= -0.0311 (180deg=-0.293) USER MOD Single : A 499 THR OG1 : rot 180:sc= 0 USER MOD Single : A 504 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 508 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.94) USER MOD Single : A 511 THR OG1 : rot -91:sc= 0.138 USER MOD Single : A 514 ASN :FLIP amide:sc= -0.0178 F(o=-0.61,f=-0.018) USER MOD Single : A 515 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0539) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HD1:sc= -5.3! X(o=-5.3!,f=-5) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.24) USER MOD Single : A 530 GLN :FLIP amide:sc= -1.06 F(o=-2.1!,f=-1.1) USER MOD Single : A 534 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 541 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 543 LYS NZ :NH3+ 161:sc= -0.368 (180deg=-1.67!) USER MOD Single : A 545 ASN : amide:sc= 1.06 K(o=1.1,f=-0.53) USER MOD Single : A 546 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 160:sc= -0.0238 (180deg=-0.307) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 560 LYS NZ :NH3+ -148:sc= -0.376 (180deg=-1.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 97.947 27.428 3.898 1.00 0.00 N ATOM 2 CA MET A 437 98.771 27.659 2.682 1.00 0.00 C ATOM 3 C MET A 437 100.225 27.941 3.043 1.00 0.00 C ATOM 4 O MET A 437 101.129 27.207 2.642 1.00 0.00 O ATOM 5 CB MET A 437 98.179 28.841 1.912 1.00 0.00 C ATOM 6 CG MET A 437 97.284 28.427 0.756 1.00 0.00 C ATOM 7 SD MET A 437 96.436 29.825 -0.001 1.00 0.00 S ATOM 8 CE MET A 437 94.737 29.468 0.435 1.00 0.00 C ATOM 0 HA MET A 437 98.757 26.761 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 437 97.605 29.462 2.600 1.00 0.00 H new ATOM 0 HB3 MET A 437 98.992 29.458 1.528 1.00 0.00 H new ATOM 0 HG2 MET A 437 97.884 27.919 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 437 96.546 27.709 1.113 1.00 0.00 H new ATOM 0 HE1 MET A 437 94.088 30.247 0.036 1.00 0.00 H new ATOM 0 HE2 MET A 437 94.448 28.504 0.015 1.00 0.00 H new ATOM 0 HE3 MET A 437 94.639 29.435 1.520 1.00 0.00 H new ATOM 20 N HIS A 438 100.445 29.010 3.802 1.00 0.00 N ATOM 21 CA HIS A 438 101.792 29.388 4.217 1.00 0.00 C ATOM 22 C HIS A 438 101.862 29.582 5.728 1.00 0.00 C ATOM 23 O HIS A 438 101.193 30.453 6.283 1.00 0.00 O ATOM 24 CB HIS A 438 102.229 30.670 3.506 1.00 0.00 C ATOM 25 CG HIS A 438 101.550 30.888 2.188 1.00 0.00 C ATOM 26 ND1 HIS A 438 101.553 29.953 1.174 1.00 0.00 N ATOM 27 CD2 HIS A 438 100.844 31.945 1.721 1.00 0.00 C ATOM 28 CE1 HIS A 438 100.879 30.426 0.140 1.00 0.00 C ATOM 29 NE2 HIS A 438 100.438 31.631 0.446 1.00 0.00 N ATOM 0 H HIS A 438 99.709 29.629 4.142 1.00 0.00 H new ATOM 0 HA HIS A 438 102.469 28.580 3.940 1.00 0.00 H new ATOM 0 HB2 HIS A 438 102.026 31.522 4.155 1.00 0.00 H new ATOM 0 HB3 HIS A 438 103.307 30.639 3.349 1.00 0.00 H new ATOM 0 HD2 HIS A 438 100.638 32.863 2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 438 100.717 29.913 -0.796 1.00 0.00 H new ATOM 0 HE2 HIS A 438 99.885 32.232 -0.165 1.00 0.00 H new ATOM 38 N HIS A 439 102.678 28.766 6.388 1.00 0.00 N ATOM 39 CA HIS A 439 102.835 28.851 7.835 1.00 0.00 C ATOM 40 C HIS A 439 104.097 29.628 8.199 1.00 0.00 C ATOM 41 O HIS A 439 104.043 30.827 8.468 1.00 0.00 O ATOM 42 CB HIS A 439 102.893 27.449 8.446 1.00 0.00 C ATOM 43 CG HIS A 439 101.626 26.671 8.277 1.00 0.00 C ATOM 44 ND1 HIS A 439 101.605 25.325 7.974 1.00 0.00 N ATOM 45 CD2 HIS A 439 100.331 27.054 8.370 1.00 0.00 C ATOM 46 CE1 HIS A 439 100.351 24.916 7.885 1.00 0.00 C ATOM 47 NE2 HIS A 439 99.561 25.945 8.122 1.00 0.00 N ATOM 0 H HIS A 439 103.240 28.040 5.944 1.00 0.00 H new ATOM 0 HA HIS A 439 101.972 29.381 8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 439 103.713 26.896 7.989 1.00 0.00 H new ATOM 0 HB3 HIS A 439 103.119 27.534 9.509 1.00 0.00 H new ATOM 0 HD2 HIS A 439 99.971 28.047 8.597 1.00 0.00 H new ATOM 0 HE1 HIS A 439 100.029 23.911 7.657 1.00 0.00 H new ATOM 0 HE2 HIS A 439 98.541 25.921 8.121 1.00 0.00 H new ATOM 56 N HIS A 440 105.231 28.935 8.206 1.00 0.00 N ATOM 57 CA HIS A 440 106.506 29.558 8.537 1.00 0.00 C ATOM 58 C HIS A 440 107.515 29.363 7.410 1.00 0.00 C ATOM 59 O HIS A 440 107.792 30.286 6.645 1.00 0.00 O ATOM 60 CB HIS A 440 107.060 28.976 9.838 1.00 0.00 C ATOM 61 CG HIS A 440 106.846 29.859 11.028 1.00 0.00 C ATOM 62 ND1 HIS A 440 107.327 31.149 11.104 1.00 0.00 N ATOM 63 CD2 HIS A 440 106.196 29.632 12.195 1.00 0.00 C ATOM 64 CE1 HIS A 440 106.985 31.677 12.267 1.00 0.00 C ATOM 65 NE2 HIS A 440 106.299 30.777 12.946 1.00 0.00 N ATOM 0 H HIS A 440 105.292 27.941 7.986 1.00 0.00 H new ATOM 0 HA HIS A 440 106.336 30.627 8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 440 106.590 28.010 10.023 1.00 0.00 H new ATOM 0 HB3 HIS A 440 108.128 28.793 9.719 1.00 0.00 H new ATOM 0 HD2 HIS A 440 105.691 28.721 12.481 1.00 0.00 H new ATOM 0 HE1 HIS A 440 107.226 32.674 12.604 1.00 0.00 H new ATOM 0 HE2 HIS A 440 105.908 30.910 13.879 1.00 0.00 H new ATOM 74 N HIS A 441 108.059 28.154 7.315 1.00 0.00 N ATOM 75 CA HIS A 441 109.036 27.836 6.281 1.00 0.00 C ATOM 76 C HIS A 441 108.350 27.622 4.934 1.00 0.00 C ATOM 77 O HIS A 441 107.135 27.774 4.817 1.00 0.00 O ATOM 78 CB HIS A 441 109.828 26.587 6.668 1.00 0.00 C ATOM 79 CG HIS A 441 108.969 25.382 6.893 1.00 0.00 C ATOM 80 ND1 HIS A 441 107.898 24.917 6.206 1.00 0.00 N flip ATOM 81 CD2 HIS A 441 109.167 24.497 7.933 1.00 0.00 C flip ATOM 82 CE1 HIS A 441 107.475 23.773 6.838 1.00 0.00 C flip ATOM 83 NE2 HIS A 441 108.256 23.541 7.876 1.00 0.00 N flip ATOM 0 H HIS A 441 107.840 27.379 7.941 1.00 0.00 H new ATOM 0 HA HIS A 441 109.722 28.678 6.190 1.00 0.00 H new ATOM 0 HB2 HIS A 441 110.551 26.367 5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 441 110.396 26.793 7.575 1.00 0.00 H new ATOM 0 HD2 HIS A 441 109.945 24.574 8.678 1.00 0.00 H new ATOM 0 HE1 HIS A 441 106.638 23.162 6.534 1.00 0.00 H new ATOM 0 HE2 HIS A 441 108.171 22.758 8.524 1.00 0.00 H new ATOM 92 N HIS A 442 109.137 27.266 3.924 1.00 0.00 N ATOM 93 CA HIS A 442 108.601 27.030 2.588 1.00 0.00 C ATOM 94 C HIS A 442 107.967 25.646 2.497 1.00 0.00 C ATOM 95 O HIS A 442 106.746 25.504 2.580 1.00 0.00 O ATOM 96 CB HIS A 442 109.704 27.167 1.536 1.00 0.00 C ATOM 97 CG HIS A 442 110.262 28.552 1.428 1.00 0.00 C ATOM 98 ND1 HIS A 442 110.542 29.339 2.525 1.00 0.00 N ATOM 99 CD2 HIS A 442 110.596 29.289 0.342 1.00 0.00 C ATOM 100 CE1 HIS A 442 111.022 30.501 2.119 1.00 0.00 C ATOM 101 NE2 HIS A 442 111.066 30.496 0.800 1.00 0.00 N ATOM 0 H HIS A 442 110.145 27.135 4.004 1.00 0.00 H new ATOM 0 HA HIS A 442 107.833 27.779 2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 442 110.512 26.477 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 442 109.308 26.867 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 442 110.509 28.985 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 442 111.327 31.317 2.758 1.00 0.00 H new ATOM 0 HE2 HIS A 442 111.396 31.264 0.215 1.00 0.00 H new ATOM 110 N HIS A 443 108.804 24.629 2.326 1.00 0.00 N ATOM 111 CA HIS A 443 108.327 23.255 2.223 1.00 0.00 C ATOM 112 C HIS A 443 109.454 22.319 1.800 1.00 0.00 C ATOM 113 O HIS A 443 110.127 22.555 0.798 1.00 0.00 O ATOM 114 CB HIS A 443 107.175 23.168 1.222 1.00 0.00 C ATOM 115 CG HIS A 443 106.882 21.772 0.766 1.00 0.00 C ATOM 116 ND1 HIS A 443 106.514 21.463 -0.527 1.00 0.00 N ATOM 117 CD2 HIS A 443 106.904 20.597 1.440 1.00 0.00 C ATOM 118 CE1 HIS A 443 106.321 20.160 -0.628 1.00 0.00 C ATOM 119 NE2 HIS A 443 106.551 19.612 0.550 1.00 0.00 N ATOM 0 H HIS A 443 109.817 24.730 2.256 1.00 0.00 H new ATOM 0 HA HIS A 443 107.971 22.945 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 443 106.278 23.589 1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 443 107.412 23.783 0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 443 107.153 20.460 2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 443 106.025 19.633 -1.523 1.00 0.00 H new ATOM 0 HE2 HIS A 443 106.478 18.618 0.765 1.00 0.00 H new ATOM 128 N SER A 444 109.653 21.253 2.570 1.00 0.00 N ATOM 129 CA SER A 444 110.698 20.280 2.274 1.00 0.00 C ATOM 130 C SER A 444 110.327 19.441 1.054 1.00 0.00 C ATOM 131 O SER A 444 109.148 19.245 0.761 1.00 0.00 O ATOM 132 CB SER A 444 110.933 19.369 3.479 1.00 0.00 C ATOM 133 OG SER A 444 109.937 18.364 3.563 1.00 0.00 O ATOM 0 H SER A 444 109.104 21.042 3.403 1.00 0.00 H new ATOM 0 HA SER A 444 111.616 20.825 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 444 111.916 18.905 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 444 110.932 19.963 4.393 1.00 0.00 H new ATOM 0 HG SER A 444 110.112 17.794 4.341 1.00 0.00 H new ATOM 139 N ASN A 445 111.340 18.949 0.350 1.00 0.00 N ATOM 140 CA ASN A 445 111.120 18.130 -0.836 1.00 0.00 C ATOM 141 C ASN A 445 111.861 16.802 -0.726 1.00 0.00 C ATOM 142 O ASN A 445 112.631 16.588 0.210 1.00 0.00 O ATOM 143 CB ASN A 445 111.572 18.879 -2.091 1.00 0.00 C ATOM 144 CG ASN A 445 110.475 18.979 -3.132 1.00 0.00 C ATOM 145 OD1 ASN A 445 110.399 18.164 -4.052 1.00 0.00 O ATOM 146 ND2 ASN A 445 109.615 19.982 -2.991 1.00 0.00 N ATOM 0 H ASN A 445 112.322 19.103 0.580 1.00 0.00 H new ATOM 0 HA ASN A 445 110.052 17.923 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 445 111.899 19.881 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 445 112.434 18.371 -2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 445 108.854 20.100 -3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 445 109.715 20.634 -2.213 1.00 0.00 H new ATOM 153 N ALA A 446 111.621 15.914 -1.684 1.00 0.00 N ATOM 154 CA ALA A 446 112.265 14.605 -1.692 1.00 0.00 C ATOM 155 C ALA A 446 113.017 14.371 -2.999 1.00 0.00 C ATOM 156 O ALA A 446 114.240 14.497 -3.053 1.00 0.00 O ATOM 157 CB ALA A 446 111.246 13.498 -1.468 1.00 0.00 C ATOM 0 H ALA A 446 110.985 16.076 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 446 112.984 14.586 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 446 111.750 12.532 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 446 110.758 13.642 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 446 110.499 13.526 -2.261 1.00 0.00 H new ATOM 163 N THR A 447 112.276 14.028 -4.048 1.00 0.00 N ATOM 164 CA THR A 447 112.871 13.773 -5.354 1.00 0.00 C ATOM 165 C THR A 447 113.973 12.723 -5.257 1.00 0.00 C ATOM 166 O THR A 447 115.150 13.026 -5.445 1.00 0.00 O ATOM 167 CB THR A 447 113.457 15.059 -5.967 1.00 0.00 C ATOM 168 OG1 THR A 447 113.174 16.202 -5.151 1.00 0.00 O ATOM 169 CG2 THR A 447 112.887 15.305 -7.357 1.00 0.00 C ATOM 0 H THR A 447 111.262 13.920 -4.018 1.00 0.00 H new ATOM 0 HA THR A 447 112.073 13.404 -5.999 1.00 0.00 H new ATOM 0 HB THR A 447 114.536 14.918 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 447 113.560 17.003 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 447 113.315 16.218 -7.770 1.00 0.00 H new ATOM 0 HG22 THR A 447 113.133 14.464 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 447 111.804 15.409 -7.293 1.00 0.00 H new ATOM 177 N GLY A 448 113.580 11.488 -4.961 1.00 0.00 N ATOM 178 CA GLY A 448 114.544 10.411 -4.842 1.00 0.00 C ATOM 179 C GLY A 448 113.880 9.051 -4.755 1.00 0.00 C ATOM 180 O GLY A 448 113.519 8.601 -3.669 1.00 0.00 O ATOM 0 H GLY A 448 112.610 11.214 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 448 115.215 10.431 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 448 115.157 10.571 -3.955 1.00 0.00 H new ATOM 184 N PRO A 449 113.704 8.372 -5.897 1.00 0.00 N ATOM 185 CA PRO A 449 113.072 7.051 -5.945 1.00 0.00 C ATOM 186 C PRO A 449 113.954 5.958 -5.350 1.00 0.00 C ATOM 187 O PRO A 449 115.155 6.149 -5.155 1.00 0.00 O ATOM 188 CB PRO A 449 112.863 6.813 -7.442 1.00 0.00 C ATOM 189 CG PRO A 449 113.910 7.639 -8.108 1.00 0.00 C ATOM 190 CD PRO A 449 114.104 8.846 -7.233 1.00 0.00 C ATOM 0 HA PRO A 449 112.153 7.020 -5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 449 112.972 5.758 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 449 111.863 7.114 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 449 114.840 7.080 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 449 113.598 7.930 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 449 115.139 9.187 -7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 449 113.489 9.683 -7.562 1.00 0.00 H new ATOM 198 N GLN A 450 113.347 4.810 -5.065 1.00 0.00 N ATOM 199 CA GLN A 450 114.069 3.678 -4.493 1.00 0.00 C ATOM 200 C GLN A 450 113.126 2.505 -4.255 1.00 0.00 C ATOM 201 O GLN A 450 112.069 2.658 -3.645 1.00 0.00 O ATOM 202 CB GLN A 450 114.747 4.081 -3.182 1.00 0.00 C ATOM 203 CG GLN A 450 115.926 3.195 -2.810 1.00 0.00 C ATOM 204 CD GLN A 450 117.148 3.465 -3.665 1.00 0.00 C ATOM 205 OE1 GLN A 450 117.041 3.662 -4.875 1.00 0.00 O ATOM 206 NE2 GLN A 450 118.319 3.472 -3.038 1.00 0.00 N ATOM 0 H GLN A 450 112.354 4.639 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 450 114.836 3.370 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 450 115.089 5.113 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 450 114.012 4.050 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 450 116.178 3.353 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 450 115.637 2.149 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 450 118.360 3.304 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 450 119.177 3.646 -3.562 1.00 0.00 H new ATOM 215 N PHE A 451 113.514 1.335 -4.749 1.00 0.00 N ATOM 216 CA PHE A 451 112.699 0.136 -4.599 1.00 0.00 C ATOM 217 C PHE A 451 112.943 -0.537 -3.253 1.00 0.00 C ATOM 218 O PHE A 451 113.998 -1.128 -3.024 1.00 0.00 O ATOM 219 CB PHE A 451 112.991 -0.847 -5.733 1.00 0.00 C ATOM 220 CG PHE A 451 111.843 -1.765 -6.036 1.00 0.00 C ATOM 221 CD1 PHE A 451 111.937 -3.122 -5.779 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.670 -1.267 -6.577 1.00 0.00 C ATOM 223 CE1 PHE A 451 110.881 -3.969 -6.055 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.608 -2.108 -6.856 1.00 0.00 C ATOM 225 CZ PHE A 451 109.714 -3.461 -6.595 1.00 0.00 C ATOM 0 H PHE A 451 114.387 1.191 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 451 111.652 0.437 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 451 113.246 -0.287 -6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 451 113.865 -1.444 -5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 451 112.847 -3.523 -5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.583 -0.210 -6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 451 110.967 -5.026 -5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 451 108.697 -1.708 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 451 108.887 -4.120 -6.812 1.00 0.00 H new ATOM 235 N VAL A 452 111.951 -0.454 -2.371 1.00 0.00 N ATOM 236 CA VAL A 452 112.048 -1.064 -1.052 1.00 0.00 C ATOM 237 C VAL A 452 111.360 -2.427 -1.042 1.00 0.00 C ATOM 238 O VAL A 452 110.564 -2.738 -0.158 1.00 0.00 O ATOM 239 CB VAL A 452 111.423 -0.169 0.028 1.00 0.00 C ATOM 240 CG1 VAL A 452 109.943 0.044 -0.245 1.00 0.00 C ATOM 241 CG2 VAL A 452 111.646 -0.770 1.405 1.00 0.00 C ATOM 0 H VAL A 452 111.071 0.030 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 452 113.107 -1.189 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 452 111.911 0.805 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 452 109.518 0.681 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 452 109.817 0.523 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 452 109.431 -0.918 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 452 111.198 -0.125 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 452 111.185 -1.757 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 452 112.716 -0.860 1.594 1.00 0.00 H new ATOM 251 N SER A 453 111.682 -3.226 -2.046 1.00 0.00 N ATOM 252 CA SER A 453 111.125 -4.565 -2.211 1.00 0.00 C ATOM 253 C SER A 453 110.940 -5.307 -0.885 1.00 0.00 C ATOM 254 O SER A 453 111.752 -5.191 0.033 1.00 0.00 O ATOM 255 CB SER A 453 112.023 -5.387 -3.133 1.00 0.00 C ATOM 256 OG SER A 453 112.881 -6.235 -2.389 1.00 0.00 O ATOM 0 H SER A 453 112.343 -2.964 -2.778 1.00 0.00 H new ATOM 0 HA SER A 453 110.135 -4.442 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 453 111.408 -5.986 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 453 112.618 -4.719 -3.756 1.00 0.00 H new ATOM 0 HG SER A 453 112.477 -7.125 -2.315 1.00 0.00 H new ATOM 262 N GLY A 454 109.872 -6.102 -0.824 1.00 0.00 N ATOM 263 CA GLY A 454 109.577 -6.909 0.351 1.00 0.00 C ATOM 264 C GLY A 454 109.207 -6.143 1.611 1.00 0.00 C ATOM 265 O GLY A 454 109.468 -6.619 2.716 1.00 0.00 O ATOM 0 H GLY A 454 109.196 -6.202 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 454 108.757 -7.584 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 454 110.447 -7.529 0.569 1.00 0.00 H new ATOM 269 N VAL A 455 108.571 -4.986 1.472 1.00 0.00 N ATOM 270 CA VAL A 455 108.150 -4.222 2.640 1.00 0.00 C ATOM 271 C VAL A 455 106.642 -3.999 2.632 1.00 0.00 C ATOM 272 O VAL A 455 106.097 -3.341 3.517 1.00 0.00 O ATOM 273 CB VAL A 455 108.854 -2.862 2.732 1.00 0.00 C ATOM 274 CG1 VAL A 455 110.361 -3.047 2.804 1.00 0.00 C ATOM 275 CG2 VAL A 455 108.462 -1.977 1.560 1.00 0.00 C ATOM 0 H VAL A 455 108.338 -4.561 0.575 1.00 0.00 H new ATOM 0 HA VAL A 455 108.432 -4.815 3.510 1.00 0.00 H new ATOM 0 HB VAL A 455 108.533 -2.365 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.845 -2.072 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 455 110.613 -3.637 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.707 -3.565 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 455 108.971 -1.017 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 455 108.749 -2.461 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 455 107.384 -1.818 1.569 1.00 0.00 H new ATOM 285 N ILE A 456 105.972 -4.557 1.627 1.00 0.00 N ATOM 286 CA ILE A 456 104.528 -4.423 1.507 1.00 0.00 C ATOM 287 C ILE A 456 103.814 -5.430 2.396 1.00 0.00 C ATOM 288 O ILE A 456 103.566 -6.568 1.996 1.00 0.00 O ATOM 289 CB ILE A 456 104.065 -4.615 0.052 1.00 0.00 C ATOM 290 CG1 ILE A 456 104.644 -3.517 -0.845 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.547 -4.619 -0.024 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.911 -2.212 -0.125 1.00 0.00 C ATOM 0 H ILE A 456 106.408 -5.105 0.886 1.00 0.00 H new ATOM 0 HA ILE A 456 104.273 -3.413 1.827 1.00 0.00 H new ATOM 0 HB ILE A 456 104.432 -5.578 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 456 105.575 -3.875 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 456 103.953 -3.332 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.235 -4.756 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.154 -5.434 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.162 -3.670 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.320 -1.486 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.979 -1.829 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.626 -2.380 0.680 1.00 0.00 H new ATOM 304 N VAL A 457 103.497 -5.002 3.611 1.00 0.00 N ATOM 305 CA VAL A 457 102.821 -5.860 4.573 1.00 0.00 C ATOM 306 C VAL A 457 101.323 -5.927 4.302 1.00 0.00 C ATOM 307 O VAL A 457 100.595 -4.958 4.524 1.00 0.00 O ATOM 308 CB VAL A 457 103.052 -5.375 6.015 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.398 -6.322 7.010 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.540 -5.235 6.297 1.00 0.00 C ATOM 0 H VAL A 457 103.698 -4.063 3.954 1.00 0.00 H new ATOM 0 HA VAL A 457 103.248 -6.857 4.459 1.00 0.00 H new ATOM 0 HB VAL A 457 102.590 -4.394 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.573 -5.962 8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.326 -6.366 6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.827 -7.318 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.685 -4.891 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.028 -6.201 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 457 104.975 -4.512 5.606 1.00 0.00 H new ATOM 320 N LYS A 458 100.872 -7.082 3.825 1.00 0.00 N ATOM 321 CA LYS A 458 99.460 -7.293 3.523 1.00 0.00 C ATOM 322 C LYS A 458 98.666 -7.511 4.805 1.00 0.00 C ATOM 323 O LYS A 458 98.950 -8.431 5.573 1.00 0.00 O ATOM 324 CB LYS A 458 99.295 -8.494 2.591 1.00 0.00 C ATOM 325 CG LYS A 458 97.861 -8.736 2.150 1.00 0.00 C ATOM 326 CD LYS A 458 97.786 -9.802 1.068 1.00 0.00 C ATOM 327 CE LYS A 458 96.351 -10.068 0.643 1.00 0.00 C ATOM 328 NZ LYS A 458 95.815 -11.323 1.243 1.00 0.00 N ATOM 0 H LYS A 458 101.466 -7.890 3.638 1.00 0.00 H new ATOM 0 HA LYS A 458 99.076 -6.403 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.916 -8.345 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 458 99.666 -9.387 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.262 -9.043 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.431 -7.806 1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.369 -9.485 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.235 -10.725 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.723 -9.228 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.301 -10.136 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 94.834 -11.467 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.398 -12.129 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 95.838 -11.249 2.280 1.00 0.00 H new ATOM 342 N ILE A 459 97.660 -6.671 5.027 1.00 0.00 N ATOM 343 CA ILE A 459 96.819 -6.789 6.211 1.00 0.00 C ATOM 344 C ILE A 459 95.394 -7.185 5.847 1.00 0.00 C ATOM 345 O ILE A 459 94.716 -6.487 5.095 1.00 0.00 O ATOM 346 CB ILE A 459 96.768 -5.488 7.033 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.180 -4.952 7.276 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.049 -5.736 8.354 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.282 -4.042 8.481 1.00 0.00 C ATOM 0 H ILE A 459 97.408 -5.904 4.404 1.00 0.00 H new ATOM 0 HA ILE A 459 97.278 -7.570 6.818 1.00 0.00 H new ATOM 0 HB ILE A 459 96.214 -4.736 6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.861 -5.793 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.511 -4.408 6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.017 -4.811 8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.032 -6.076 8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.583 -6.498 8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.311 -3.700 8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.626 -3.182 8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 459 97.982 -4.588 9.376 1.00 0.00 H new ATOM 361 N ILE A 460 94.938 -8.287 6.416 1.00 0.00 N ATOM 362 CA ILE A 460 93.580 -8.751 6.185 1.00 0.00 C ATOM 363 C ILE A 460 92.919 -9.115 7.508 1.00 0.00 C ATOM 364 O ILE A 460 93.524 -9.772 8.356 1.00 0.00 O ATOM 365 CB ILE A 460 93.526 -9.940 5.196 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.128 -10.057 4.587 1.00 0.00 C ATOM 367 CG2 ILE A 460 93.928 -11.243 5.867 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.141 -10.793 5.466 1.00 0.00 C ATOM 0 H ILE A 460 95.487 -8.877 7.041 1.00 0.00 H new ATOM 0 HA ILE A 460 93.027 -7.933 5.723 1.00 0.00 H new ATOM 0 HB ILE A 460 94.244 -9.747 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.745 -9.057 4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.201 -10.571 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 460 93.878 -12.056 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 460 94.946 -11.158 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.248 -11.452 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.172 -10.836 4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.501 -11.806 5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.038 -10.268 6.416 1.00 0.00 H new ATOM 380 N SER A 461 91.686 -8.666 7.696 1.00 0.00 N ATOM 381 CA SER A 461 90.965 -8.936 8.931 1.00 0.00 C ATOM 382 C SER A 461 89.645 -9.638 8.654 1.00 0.00 C ATOM 383 O SER A 461 89.447 -10.216 7.585 1.00 0.00 O ATOM 384 CB SER A 461 90.713 -7.634 9.694 1.00 0.00 C ATOM 385 OG SER A 461 89.442 -7.094 9.380 1.00 0.00 O ATOM 0 H SER A 461 91.166 -8.116 7.012 1.00 0.00 H new ATOM 0 HA SER A 461 91.582 -9.596 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.777 -7.819 10.766 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.490 -6.910 9.449 1.00 0.00 H new ATOM 0 HG SER A 461 89.395 -6.905 8.419 1.00 0.00 H new ATOM 391 N THR A 462 88.749 -9.584 9.627 1.00 0.00 N ATOM 392 CA THR A 462 87.443 -10.216 9.499 1.00 0.00 C ATOM 393 C THR A 462 86.329 -9.179 9.552 1.00 0.00 C ATOM 394 O THR A 462 85.193 -9.452 9.163 1.00 0.00 O ATOM 395 CB THR A 462 87.211 -11.256 10.612 1.00 0.00 C ATOM 396 OG1 THR A 462 87.487 -10.708 11.907 1.00 0.00 O ATOM 397 CG2 THR A 462 88.099 -12.474 10.406 1.00 0.00 C ATOM 0 H THR A 462 88.902 -9.108 10.516 1.00 0.00 H new ATOM 0 HA THR A 462 87.426 -10.719 8.532 1.00 0.00 H new ATOM 0 HB THR A 462 86.162 -11.547 10.560 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.329 -11.391 12.592 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.918 -13.195 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.871 -12.932 9.444 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.145 -12.169 10.423 1.00 0.00 H new ATOM 405 N GLU A 463 86.666 -7.990 10.034 1.00 0.00 N ATOM 406 CA GLU A 463 85.700 -6.904 10.142 1.00 0.00 C ATOM 407 C GLU A 463 86.178 -5.850 11.134 1.00 0.00 C ATOM 408 O GLU A 463 86.171 -4.655 10.838 1.00 0.00 O ATOM 409 CB GLU A 463 84.335 -7.446 10.572 1.00 0.00 C ATOM 410 CG GLU A 463 83.276 -7.362 9.483 1.00 0.00 C ATOM 411 CD GLU A 463 81.953 -7.969 9.906 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.238 -7.334 10.709 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.631 -9.080 9.433 1.00 0.00 O ATOM 0 H GLU A 463 87.604 -7.752 10.357 1.00 0.00 H new ATOM 0 HA GLU A 463 85.603 -6.438 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.447 -8.486 10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.991 -6.891 11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.122 -6.318 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.637 -7.873 8.591 1.00 0.00 H new ATOM 420 N PRO A 464 86.608 -6.283 12.331 1.00 0.00 N ATOM 421 CA PRO A 464 87.096 -5.377 13.369 1.00 0.00 C ATOM 422 C PRO A 464 87.956 -4.252 12.800 1.00 0.00 C ATOM 423 O PRO A 464 88.049 -3.175 13.387 1.00 0.00 O ATOM 424 CB PRO A 464 87.924 -6.300 14.259 1.00 0.00 C ATOM 425 CG PRO A 464 87.243 -7.623 14.153 1.00 0.00 C ATOM 426 CD PRO A 464 86.656 -7.692 12.764 1.00 0.00 C ATOM 0 HA PRO A 464 86.288 -4.867 13.892 1.00 0.00 H new ATOM 0 HB2 PRO A 464 88.958 -6.357 13.920 1.00 0.00 H new ATOM 0 HB3 PRO A 464 87.945 -5.945 15.289 1.00 0.00 H new ATOM 0 HG2 PRO A 464 87.949 -8.437 14.317 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.464 -7.720 14.909 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.274 -8.294 12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.663 -8.142 12.771 1.00 0.00 H new ATOM 434 N LEU A 465 88.577 -4.506 11.651 1.00 0.00 N ATOM 435 CA LEU A 465 89.420 -3.505 11.006 1.00 0.00 C ATOM 436 C LEU A 465 88.789 -2.121 11.126 1.00 0.00 C ATOM 437 O LEU A 465 87.875 -1.776 10.377 1.00 0.00 O ATOM 438 CB LEU A 465 89.637 -3.858 9.534 1.00 0.00 C ATOM 439 CG LEU A 465 91.082 -3.736 9.046 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.403 -4.838 8.048 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.319 -2.367 8.426 1.00 0.00 C ATOM 0 H LEU A 465 88.513 -5.392 11.150 1.00 0.00 H new ATOM 0 HA LEU A 465 90.387 -3.494 11.509 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.298 -4.881 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 465 89.007 -3.210 8.924 1.00 0.00 H new ATOM 0 HG LEU A 465 91.747 -3.846 9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.435 -4.735 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.272 -5.810 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.733 -4.760 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.352 -2.296 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.646 -2.229 7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.129 -1.593 9.170 1.00 0.00 H new ATOM 453 N PRO A 466 89.267 -1.310 12.083 1.00 0.00 N ATOM 454 CA PRO A 466 88.746 0.043 12.316 1.00 0.00 C ATOM 455 C PRO A 466 88.859 0.938 11.085 1.00 0.00 C ATOM 456 O PRO A 466 87.913 1.642 10.730 1.00 0.00 O ATOM 457 CB PRO A 466 89.623 0.580 13.455 1.00 0.00 C ATOM 458 CG PRO A 466 90.827 -0.301 13.467 1.00 0.00 C ATOM 459 CD PRO A 466 90.349 -1.649 13.018 1.00 0.00 C ATOM 0 HA PRO A 466 87.682 0.027 12.553 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.898 1.621 13.284 1.00 0.00 H new ATOM 0 HB3 PRO A 466 89.097 0.542 14.409 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.599 0.083 12.800 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.264 -0.353 14.464 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.141 -2.219 12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 466 89.990 -2.251 13.853 1.00 0.00 H new ATOM 467 N GLY A 467 90.017 0.909 10.437 1.00 0.00 N ATOM 468 CA GLY A 467 90.227 1.724 9.254 1.00 0.00 C ATOM 469 C GLY A 467 91.686 2.064 9.040 1.00 0.00 C ATOM 470 O GLY A 467 92.555 1.596 9.774 1.00 0.00 O ATOM 0 H GLY A 467 90.815 0.336 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.848 1.195 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.651 2.645 9.344 1.00 0.00 H new ATOM 474 N ARG A 468 91.956 2.891 8.037 1.00 0.00 N ATOM 475 CA ARG A 468 93.320 3.303 7.734 1.00 0.00 C ATOM 476 C ARG A 468 93.931 4.064 8.905 1.00 0.00 C ATOM 477 O ARG A 468 95.112 3.906 9.217 1.00 0.00 O ATOM 478 CB ARG A 468 93.338 4.177 6.479 1.00 0.00 C ATOM 479 CG ARG A 468 92.257 5.246 6.468 1.00 0.00 C ATOM 480 CD ARG A 468 92.599 6.374 5.508 1.00 0.00 C ATOM 481 NE ARG A 468 91.889 6.247 4.238 1.00 0.00 N ATOM 482 CZ ARG A 468 92.094 7.046 3.198 1.00 0.00 C ATOM 483 NH1 ARG A 468 92.984 8.025 3.277 1.00 0.00 N ATOM 484 NH2 ARG A 468 91.407 6.867 2.078 1.00 0.00 N ATOM 0 H ARG A 468 91.248 3.289 7.420 1.00 0.00 H new ATOM 0 HA ARG A 468 93.915 2.407 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.313 4.657 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.218 3.541 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.305 4.799 6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 468 92.131 5.648 7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 468 92.350 7.330 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 468 93.673 6.380 5.324 1.00 0.00 H new ATOM 0 HE ARG A 468 91.197 5.503 4.145 1.00 0.00 H new ATOM 0 HH11 ARG A 468 93.513 8.165 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 468 93.140 8.638 2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 468 90.721 6.115 2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 468 91.565 7.481 1.279 1.00 0.00 H new ATOM 498 N LYS A 469 93.116 4.898 9.545 1.00 0.00 N ATOM 499 CA LYS A 469 93.571 5.697 10.680 1.00 0.00 C ATOM 500 C LYS A 469 94.013 4.811 11.841 1.00 0.00 C ATOM 501 O LYS A 469 95.039 5.066 12.472 1.00 0.00 O ATOM 502 CB LYS A 469 92.468 6.653 11.156 1.00 0.00 C ATOM 503 CG LYS A 469 91.393 6.933 10.118 1.00 0.00 C ATOM 504 CD LYS A 469 90.511 8.101 10.532 1.00 0.00 C ATOM 505 CE LYS A 469 89.564 8.511 9.416 1.00 0.00 C ATOM 506 NZ LYS A 469 88.905 9.816 9.700 1.00 0.00 N ATOM 0 H LYS A 469 92.137 5.038 9.297 1.00 0.00 H new ATOM 0 HA LYS A 469 94.427 6.281 10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 469 91.998 6.233 12.045 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.925 7.597 11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.861 7.151 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 469 90.779 6.043 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.935 7.827 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 469 91.137 8.950 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 469 90.115 8.579 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.804 7.741 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 88.267 10.061 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 88.358 9.744 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 89.629 10.556 9.801 1.00 0.00 H new ATOM 520 N GLN A 470 93.225 3.780 12.129 1.00 0.00 N ATOM 521 CA GLN A 470 93.531 2.870 13.227 1.00 0.00 C ATOM 522 C GLN A 470 94.627 1.880 12.847 1.00 0.00 C ATOM 523 O GLN A 470 95.546 1.636 13.630 1.00 0.00 O ATOM 524 CB GLN A 470 92.271 2.117 13.649 1.00 0.00 C ATOM 525 CG GLN A 470 91.446 2.852 14.691 1.00 0.00 C ATOM 526 CD GLN A 470 92.196 3.045 15.993 1.00 0.00 C ATOM 527 OE1 GLN A 470 92.998 4.101 16.064 1.00 0.00 O flip ATOM 528 NE2 GLN A 470 92.058 2.253 16.926 1.00 0.00 N flip ATOM 0 H GLN A 470 92.371 3.554 11.618 1.00 0.00 H new ATOM 0 HA GLN A 470 93.895 3.467 14.063 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.653 1.937 12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.555 1.142 14.044 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.152 3.825 14.297 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.529 2.295 14.883 1.00 0.00 H new ATOM 0 HE21 GLN A 470 91.431 1.454 16.829 1.00 0.00 H new ATOM 0 HE22 GLN A 470 92.571 2.396 17.796 1.00 0.00 H new ATOM 537 N VAL A 471 94.536 1.313 11.647 1.00 0.00 N ATOM 538 CA VAL A 471 95.537 0.356 11.190 1.00 0.00 C ATOM 539 C VAL A 471 96.902 1.026 11.093 1.00 0.00 C ATOM 540 O VAL A 471 97.913 0.476 11.537 1.00 0.00 O ATOM 541 CB VAL A 471 95.168 -0.245 9.820 1.00 0.00 C ATOM 542 CG1 VAL A 471 96.316 -1.083 9.277 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.897 -1.073 9.923 1.00 0.00 C ATOM 0 H VAL A 471 93.787 1.498 10.980 1.00 0.00 H new ATOM 0 HA VAL A 471 95.571 -0.451 11.921 1.00 0.00 H new ATOM 0 HB VAL A 471 94.985 0.573 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 471 96.037 -1.499 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 471 97.201 -0.457 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.534 -1.894 9.971 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.653 -1.489 8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 471 94.048 -1.884 10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 471 93.077 -0.440 10.263 1.00 0.00 H new ATOM 553 N ARG A 472 96.918 2.230 10.528 1.00 0.00 N ATOM 554 CA ARG A 472 98.150 2.994 10.391 1.00 0.00 C ATOM 555 C ARG A 472 98.712 3.330 11.766 1.00 0.00 C ATOM 556 O ARG A 472 99.909 3.188 12.013 1.00 0.00 O ATOM 557 CB ARG A 472 97.896 4.278 9.600 1.00 0.00 C ATOM 558 CG ARG A 472 97.125 5.328 10.380 1.00 0.00 C ATOM 559 CD ARG A 472 96.811 6.542 9.523 1.00 0.00 C ATOM 560 NE ARG A 472 97.912 6.877 8.624 1.00 0.00 N ATOM 561 CZ ARG A 472 99.092 7.321 9.042 1.00 0.00 C ATOM 562 NH1 ARG A 472 99.312 7.504 10.337 1.00 0.00 N ATOM 563 NH2 ARG A 472 100.051 7.588 8.165 1.00 0.00 N ATOM 0 H ARG A 472 96.090 2.696 10.158 1.00 0.00 H new ATOM 0 HA ARG A 472 98.877 2.389 9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.852 4.698 9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.344 4.033 8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.197 4.896 10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.706 5.636 11.249 1.00 0.00 H new ATOM 0 HD2 ARG A 472 95.911 6.350 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.597 7.395 10.167 1.00 0.00 H new ATOM 0 HE ARG A 472 97.767 6.764 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 472 98.575 7.304 11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 472 100.218 7.845 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 472 99.883 7.452 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 472 100.957 7.929 8.488 1.00 0.00 H new ATOM 577 N ASP A 473 97.830 3.770 12.660 1.00 0.00 N ATOM 578 CA ASP A 473 98.226 4.119 14.019 1.00 0.00 C ATOM 579 C ASP A 473 98.757 2.891 14.746 1.00 0.00 C ATOM 580 O ASP A 473 99.749 2.962 15.471 1.00 0.00 O ATOM 581 CB ASP A 473 97.038 4.705 14.786 1.00 0.00 C ATOM 582 CG ASP A 473 97.470 5.662 15.879 1.00 0.00 C ATOM 583 OD1 ASP A 473 97.133 5.409 17.055 1.00 0.00 O ATOM 584 OD2 ASP A 473 98.145 6.663 15.560 1.00 0.00 O ATOM 0 H ASP A 473 96.836 3.893 12.466 1.00 0.00 H new ATOM 0 HA ASP A 473 99.016 4.868 13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.381 5.226 14.090 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.457 3.894 15.226 1.00 0.00 H new ATOM 589 N THR A 474 98.089 1.761 14.536 1.00 0.00 N ATOM 590 CA THR A 474 98.490 0.509 15.160 1.00 0.00 C ATOM 591 C THR A 474 99.893 0.113 14.715 1.00 0.00 C ATOM 592 O THR A 474 100.875 0.358 15.419 1.00 0.00 O ATOM 593 CB THR A 474 97.511 -0.632 14.815 1.00 0.00 C ATOM 594 OG1 THR A 474 97.129 -0.595 13.435 1.00 0.00 O ATOM 595 CG2 THR A 474 96.251 -0.541 15.660 1.00 0.00 C ATOM 0 H THR A 474 97.266 1.689 13.937 1.00 0.00 H new ATOM 0 HA THR A 474 98.478 0.668 16.238 1.00 0.00 H new ATOM 0 HB THR A 474 98.033 -1.566 15.023 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.639 0.103 12.973 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.577 -1.357 15.398 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.515 -0.613 16.715 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.756 0.412 15.474 1.00 0.00 H new ATOM 603 N LEU A 475 99.983 -0.510 13.545 1.00 0.00 N ATOM 604 CA LEU A 475 101.268 -0.944 13.016 1.00 0.00 C ATOM 605 C LEU A 475 102.334 0.126 13.229 1.00 0.00 C ATOM 606 O LEU A 475 103.473 -0.183 13.579 1.00 0.00 O ATOM 607 CB LEU A 475 101.147 -1.265 11.525 1.00 0.00 C ATOM 608 CG LEU A 475 100.604 -0.127 10.659 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.743 0.696 10.080 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.726 -0.679 9.547 1.00 0.00 C ATOM 0 H LEU A 475 99.184 -0.724 12.948 1.00 0.00 H new ATOM 0 HA LEU A 475 101.568 -1.844 13.553 1.00 0.00 H new ATOM 0 HB2 LEU A 475 102.130 -1.550 11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.497 -2.132 11.407 1.00 0.00 H new ATOM 0 HG LEU A 475 99.997 0.524 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 475 101.336 1.500 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.334 1.121 10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.378 0.057 9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.348 0.143 8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.312 -1.352 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.888 -1.224 9.982 1.00 0.00 H new ATOM 622 N ALA A 476 101.961 1.385 13.018 1.00 0.00 N ATOM 623 CA ALA A 476 102.897 2.490 13.191 1.00 0.00 C ATOM 624 C ALA A 476 103.255 2.676 14.661 1.00 0.00 C ATOM 625 O ALA A 476 104.326 3.187 14.990 1.00 0.00 O ATOM 626 CB ALA A 476 102.328 3.780 12.622 1.00 0.00 C ATOM 0 H ALA A 476 101.023 1.664 12.729 1.00 0.00 H new ATOM 0 HA ALA A 476 103.806 2.242 12.642 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.046 4.588 12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.131 3.652 11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.399 4.026 13.136 1.00 0.00 H new ATOM 632 N ALA A 477 102.354 2.257 15.546 1.00 0.00 N ATOM 633 CA ALA A 477 102.582 2.378 16.978 1.00 0.00 C ATOM 634 C ALA A 477 103.620 1.365 17.443 1.00 0.00 C ATOM 635 O ALA A 477 104.357 1.607 18.398 1.00 0.00 O ATOM 636 CB ALA A 477 101.284 2.198 17.752 1.00 0.00 C ATOM 0 H ALA A 477 101.462 1.832 15.294 1.00 0.00 H new ATOM 0 HA ALA A 477 102.962 3.381 17.175 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.481 2.293 18.820 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.569 2.961 17.446 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.871 1.211 17.546 1.00 0.00 H new ATOM 642 N ILE A 478 103.681 0.234 16.748 1.00 0.00 N ATOM 643 CA ILE A 478 104.643 -0.812 17.078 1.00 0.00 C ATOM 644 C ILE A 478 106.008 -0.494 16.478 1.00 0.00 C ATOM 645 O ILE A 478 107.046 -0.843 17.044 1.00 0.00 O ATOM 646 CB ILE A 478 104.169 -2.192 16.577 1.00 0.00 C ATOM 647 CG1 ILE A 478 103.001 -2.689 17.428 1.00 0.00 C ATOM 648 CG2 ILE A 478 105.313 -3.196 16.604 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.814 -3.150 16.614 1.00 0.00 C ATOM 0 H ILE A 478 103.077 0.018 15.955 1.00 0.00 H new ATOM 0 HA ILE A 478 104.725 -0.848 18.164 1.00 0.00 H new ATOM 0 HB ILE A 478 103.831 -2.089 15.546 1.00 0.00 H new ATOM 0 HG12 ILE A 478 103.343 -3.512 18.055 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.684 -1.889 18.097 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.957 -4.163 16.247 1.00 0.00 H new ATOM 0 HG22 ILE A 478 106.120 -2.846 15.960 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.682 -3.300 17.624 1.00 0.00 H new ATOM 0 HD11 ILE A 478 101.023 -3.489 17.283 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.446 -2.323 16.007 1.00 0.00 H new ATOM 0 HD13 ILE A 478 102.116 -3.971 15.964 1.00 0.00 H new ATOM 661 N SER A 479 105.997 0.170 15.328 1.00 0.00 N ATOM 662 CA SER A 479 107.230 0.540 14.641 1.00 0.00 C ATOM 663 C SER A 479 106.967 1.634 13.611 1.00 0.00 C ATOM 664 O SER A 479 105.823 1.884 13.235 1.00 0.00 O ATOM 665 CB SER A 479 107.847 -0.684 13.962 1.00 0.00 C ATOM 666 OG SER A 479 109.177 -0.896 14.405 1.00 0.00 O ATOM 0 H SER A 479 105.145 0.464 14.850 1.00 0.00 H new ATOM 0 HA SER A 479 107.931 0.924 15.382 1.00 0.00 H new ATOM 0 HB2 SER A 479 107.244 -1.566 14.177 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.838 -0.547 12.881 1.00 0.00 H new ATOM 0 HG SER A 479 109.752 -1.087 13.635 1.00 0.00 H new ATOM 672 N GLU A 480 108.035 2.284 13.161 1.00 0.00 N ATOM 673 CA GLU A 480 107.918 3.356 12.177 1.00 0.00 C ATOM 674 C GLU A 480 107.718 2.796 10.772 1.00 0.00 C ATOM 675 O GLU A 480 108.618 2.176 10.205 1.00 0.00 O ATOM 676 CB GLU A 480 109.163 4.242 12.212 1.00 0.00 C ATOM 677 CG GLU A 480 108.864 5.700 12.523 1.00 0.00 C ATOM 678 CD GLU A 480 109.825 6.649 11.836 1.00 0.00 C ATOM 679 OE1 GLU A 480 110.540 6.205 10.912 1.00 0.00 O ATOM 680 OE2 GLU A 480 109.864 7.836 12.222 1.00 0.00 O ATOM 0 H GLU A 480 108.990 2.088 13.461 1.00 0.00 H new ATOM 0 HA GLU A 480 107.043 3.954 12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.854 3.854 12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.669 4.181 11.249 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.845 5.933 12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.913 5.856 13.601 1.00 0.00 H new ATOM 687 N VAL A 481 106.533 3.023 10.212 1.00 0.00 N ATOM 688 CA VAL A 481 106.214 2.547 8.872 1.00 0.00 C ATOM 689 C VAL A 481 106.232 3.691 7.865 1.00 0.00 C ATOM 690 O VAL A 481 105.881 4.825 8.191 1.00 0.00 O ATOM 691 CB VAL A 481 104.838 1.858 8.832 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.954 0.414 9.295 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.831 2.618 9.682 1.00 0.00 C ATOM 0 H VAL A 481 105.777 3.535 10.668 1.00 0.00 H new ATOM 0 HA VAL A 481 106.980 1.820 8.603 1.00 0.00 H new ATOM 0 HB VAL A 481 104.481 1.861 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.973 -0.059 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.639 -0.124 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.334 0.389 10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.865 2.114 9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.178 2.651 10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.727 3.634 9.301 1.00 0.00 H new ATOM 703 N LEU A 482 106.648 3.387 6.640 1.00 0.00 N ATOM 704 CA LEU A 482 106.718 4.390 5.588 1.00 0.00 C ATOM 705 C LEU A 482 105.337 4.958 5.282 1.00 0.00 C ATOM 706 O LEU A 482 105.007 6.072 5.691 1.00 0.00 O ATOM 707 CB LEU A 482 107.330 3.792 4.319 1.00 0.00 C ATOM 708 CG LEU A 482 107.565 4.788 3.183 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.747 5.690 3.501 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.792 4.054 1.869 1.00 0.00 C ATOM 0 H LEU A 482 106.941 2.453 6.353 1.00 0.00 H new ATOM 0 HA LEU A 482 107.354 5.202 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.282 3.327 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.676 2.999 3.957 1.00 0.00 H new ATOM 0 HG LEU A 482 106.676 5.410 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 482 108.900 6.392 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 482 108.547 6.242 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 482 109.643 5.083 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 482 107.958 4.778 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 482 108.665 3.408 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 482 106.916 3.449 1.634 1.00 0.00 H new ATOM 722 N TYR A 483 104.534 4.190 4.554 1.00 0.00 N ATOM 723 CA TYR A 483 103.190 4.627 4.187 1.00 0.00 C ATOM 724 C TYR A 483 102.230 3.447 4.100 1.00 0.00 C ATOM 725 O TYR A 483 102.598 2.368 3.639 1.00 0.00 O ATOM 726 CB TYR A 483 103.225 5.377 2.854 1.00 0.00 C ATOM 727 CG TYR A 483 101.855 5.704 2.304 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.057 4.716 1.741 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.360 7.002 2.345 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.806 5.011 1.233 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.109 7.305 1.841 1.00 0.00 C ATOM 732 CZ TYR A 483 99.337 6.307 1.286 1.00 0.00 C ATOM 733 OH TYR A 483 98.092 6.604 0.780 1.00 0.00 O ATOM 0 H TYR A 483 104.788 3.265 4.207 1.00 0.00 H new ATOM 0 HA TYR A 483 102.829 5.299 4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.785 6.303 2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.766 4.776 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.420 3.700 1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.963 7.787 2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.199 4.231 0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.738 8.319 1.882 1.00 0.00 H new ATOM 0 HH TYR A 483 97.911 7.560 0.896 1.00 0.00 H new ATOM 743 N VAL A 484 100.996 3.660 4.550 1.00 0.00 N ATOM 744 CA VAL A 484 99.983 2.612 4.528 1.00 0.00 C ATOM 745 C VAL A 484 99.031 2.783 3.348 1.00 0.00 C ATOM 746 O VAL A 484 98.275 3.750 3.282 1.00 0.00 O ATOM 747 CB VAL A 484 99.165 2.599 5.831 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.179 3.756 5.857 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.443 1.270 5.996 1.00 0.00 C ATOM 0 H VAL A 484 100.675 4.549 4.934 1.00 0.00 H new ATOM 0 HA VAL A 484 100.513 1.665 4.426 1.00 0.00 H new ATOM 0 HB VAL A 484 99.852 2.720 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.610 3.729 6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 484 98.722 4.699 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 484 97.496 3.671 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 484 97.870 1.280 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.768 1.115 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 484 99.173 0.461 6.029 1.00 0.00 H new ATOM 759 N ASP A 485 99.074 1.832 2.418 1.00 0.00 N ATOM 760 CA ASP A 485 98.212 1.876 1.243 1.00 0.00 C ATOM 761 C ASP A 485 97.018 0.943 1.408 1.00 0.00 C ATOM 762 O ASP A 485 97.061 -0.219 1.003 1.00 0.00 O ATOM 763 CB ASP A 485 99.001 1.504 -0.011 1.00 0.00 C ATOM 764 CG ASP A 485 98.214 1.747 -1.284 1.00 0.00 C ATOM 765 OD1 ASP A 485 98.359 0.948 -2.234 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.455 2.737 -1.333 1.00 0.00 O ATOM 0 H ASP A 485 99.695 1.024 2.456 1.00 0.00 H new ATOM 0 HA ASP A 485 97.839 2.895 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.924 2.084 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.286 0.453 0.041 1.00 0.00 H new ATOM 771 N LEU A 486 95.955 1.465 2.003 1.00 0.00 N ATOM 772 CA LEU A 486 94.739 0.691 2.228 1.00 0.00 C ATOM 773 C LEU A 486 93.847 0.717 0.990 1.00 0.00 C ATOM 774 O LEU A 486 93.580 1.781 0.433 1.00 0.00 O ATOM 775 CB LEU A 486 93.981 1.240 3.444 1.00 0.00 C ATOM 776 CG LEU A 486 92.453 1.231 3.328 1.00 0.00 C ATOM 777 CD1 LEU A 486 91.954 -0.156 2.957 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.814 1.701 4.626 1.00 0.00 C ATOM 0 H LEU A 486 95.909 2.426 2.341 1.00 0.00 H new ATOM 0 HA LEU A 486 95.019 -0.344 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.265 0.658 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 486 94.308 2.264 3.622 1.00 0.00 H new ATOM 0 HG LEU A 486 92.165 1.922 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 486 90.867 -0.143 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 486 92.383 -0.453 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.254 -0.868 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.729 1.687 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 486 92.110 1.037 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 486 92.145 2.716 4.848 1.00 0.00 H new ATOM 790 N LEU A 487 93.387 -0.456 0.564 1.00 0.00 N ATOM 791 CA LEU A 487 92.525 -0.548 -0.608 1.00 0.00 C ATOM 792 C LEU A 487 91.196 0.157 -0.358 1.00 0.00 C ATOM 793 O LEU A 487 90.216 -0.466 0.053 1.00 0.00 O ATOM 794 CB LEU A 487 92.282 -2.011 -0.977 1.00 0.00 C ATOM 795 CG LEU A 487 93.175 -2.551 -2.095 1.00 0.00 C ATOM 796 CD1 LEU A 487 94.301 -3.398 -1.520 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.353 -3.357 -3.091 1.00 0.00 C ATOM 0 H LEU A 487 93.595 -1.349 1.010 1.00 0.00 H new ATOM 0 HA LEU A 487 93.028 -0.054 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.428 -2.624 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.240 -2.127 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 487 93.618 -1.705 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.925 -3.773 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.906 -2.790 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.879 -4.238 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 487 93.004 -3.734 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.881 -4.195 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.584 -2.720 -3.528 1.00 0.00 H new ATOM 809 N GLU A 488 91.175 1.462 -0.607 1.00 0.00 N ATOM 810 CA GLU A 488 89.974 2.265 -0.410 1.00 0.00 C ATOM 811 C GLU A 488 88.716 1.478 -0.763 1.00 0.00 C ATOM 812 O GLU A 488 88.556 1.017 -1.893 1.00 0.00 O ATOM 813 CB GLU A 488 90.046 3.535 -1.261 1.00 0.00 C ATOM 814 CG GLU A 488 88.716 4.258 -1.391 1.00 0.00 C ATOM 815 CD GLU A 488 88.765 5.667 -0.836 1.00 0.00 C ATOM 816 OE1 GLU A 488 87.708 6.332 -0.811 1.00 0.00 O ATOM 817 OE2 GLU A 488 89.860 6.105 -0.426 1.00 0.00 O ATOM 0 H GLU A 488 91.980 1.988 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 488 89.921 2.536 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.778 4.214 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 488 90.407 3.275 -2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 488 88.427 4.295 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 488 87.945 3.692 -0.868 1.00 0.00 H new ATOM 824 N GLY A 489 87.823 1.331 0.211 1.00 0.00 N ATOM 825 CA GLY A 489 86.588 0.604 -0.019 1.00 0.00 C ATOM 826 C GLY A 489 86.756 -0.893 0.125 1.00 0.00 C ATOM 827 O GLY A 489 85.883 -1.664 -0.271 1.00 0.00 O ATOM 0 H GLY A 489 87.933 1.702 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.831 0.950 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 489 86.219 0.830 -1.020 1.00 0.00 H new ATOM 831 N ASP A 490 87.886 -1.309 0.687 1.00 0.00 N ATOM 832 CA ASP A 490 88.166 -2.727 0.875 1.00 0.00 C ATOM 833 C ASP A 490 88.605 -3.017 2.308 1.00 0.00 C ATOM 834 O ASP A 490 89.199 -2.168 2.971 1.00 0.00 O ATOM 835 CB ASP A 490 89.246 -3.180 -0.108 1.00 0.00 C ATOM 836 CG ASP A 490 88.900 -4.492 -0.784 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.064 -5.551 -0.143 1.00 0.00 O ATOM 838 OD2 ASP A 490 88.465 -4.461 -1.954 1.00 0.00 O ATOM 0 H ASP A 490 88.621 -0.685 1.020 1.00 0.00 H new ATOM 0 HA ASP A 490 87.249 -3.284 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.389 -2.410 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.193 -3.286 0.421 1.00 0.00 H new ATOM 843 N THR A 491 88.306 -4.225 2.775 1.00 0.00 N ATOM 844 CA THR A 491 88.664 -4.640 4.128 1.00 0.00 C ATOM 845 C THR A 491 90.115 -5.111 4.205 1.00 0.00 C ATOM 846 O THR A 491 90.523 -5.727 5.190 1.00 0.00 O ATOM 847 CB THR A 491 87.747 -5.771 4.633 1.00 0.00 C ATOM 848 OG1 THR A 491 87.367 -6.650 3.568 1.00 0.00 O ATOM 849 CG2 THR A 491 86.484 -5.205 5.265 1.00 0.00 C ATOM 0 H THR A 491 87.815 -4.937 2.234 1.00 0.00 H new ATOM 0 HA THR A 491 88.537 -3.763 4.763 1.00 0.00 H new ATOM 0 HB THR A 491 88.315 -6.329 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 491 86.787 -7.358 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 491 85.853 -6.023 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.753 -4.569 6.109 1.00 0.00 H new ATOM 0 HG23 THR A 491 85.940 -4.617 4.526 1.00 0.00 H new ATOM 857 N GLU A 492 90.892 -4.822 3.164 1.00 0.00 N ATOM 858 CA GLU A 492 92.294 -5.221 3.126 1.00 0.00 C ATOM 859 C GLU A 492 93.202 -4.024 2.855 1.00 0.00 C ATOM 860 O GLU A 492 92.984 -3.262 1.911 1.00 0.00 O ATOM 861 CB GLU A 492 92.508 -6.293 2.056 1.00 0.00 C ATOM 862 CG GLU A 492 91.224 -6.982 1.626 1.00 0.00 C ATOM 863 CD GLU A 492 91.481 -8.254 0.843 1.00 0.00 C ATOM 864 OE1 GLU A 492 91.546 -8.181 -0.402 1.00 0.00 O ATOM 865 OE2 GLU A 492 91.615 -9.324 1.475 1.00 0.00 O ATOM 0 H GLU A 492 90.574 -4.314 2.338 1.00 0.00 H new ATOM 0 HA GLU A 492 92.554 -5.630 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.976 -5.837 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.203 -7.041 2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 492 90.628 -7.217 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.635 -6.297 1.017 1.00 0.00 H new ATOM 872 N CYS A 493 94.224 -3.868 3.689 1.00 0.00 N ATOM 873 CA CYS A 493 95.171 -2.771 3.542 1.00 0.00 C ATOM 874 C CYS A 493 96.598 -3.301 3.475 1.00 0.00 C ATOM 875 O CYS A 493 96.949 -4.249 4.175 1.00 0.00 O ATOM 876 CB CYS A 493 95.030 -1.782 4.701 1.00 0.00 C ATOM 877 SG CYS A 493 95.919 -2.266 6.199 1.00 0.00 S ATOM 0 H CYS A 493 94.417 -4.489 4.475 1.00 0.00 H new ATOM 0 HA CYS A 493 94.949 -2.251 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.391 -0.806 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 493 93.973 -1.668 4.940 1.00 0.00 H new ATOM 0 HG CYS A 493 96.931 -1.470 6.380 1.00 0.00 H new ATOM 883 N HIS A 494 97.418 -2.682 2.635 1.00 0.00 N ATOM 884 CA HIS A 494 98.808 -3.093 2.480 1.00 0.00 C ATOM 885 C HIS A 494 99.744 -1.929 2.780 1.00 0.00 C ATOM 886 O HIS A 494 99.853 -0.990 1.991 1.00 0.00 O ATOM 887 CB HIS A 494 99.052 -3.610 1.062 1.00 0.00 C ATOM 888 CG HIS A 494 98.132 -4.722 0.669 1.00 0.00 C ATOM 889 ND1 HIS A 494 96.764 -4.662 0.837 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.388 -5.930 0.115 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.220 -5.786 0.403 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.185 -6.572 -0.039 1.00 0.00 N ATOM 0 H HIS A 494 97.144 -1.893 2.050 1.00 0.00 H new ATOM 0 HA HIS A 494 99.012 -3.896 3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 494 98.936 -2.786 0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.083 -3.955 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.359 -6.317 -0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.166 -6.021 0.409 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.057 -7.505 -0.431 1.00 0.00 H new ATOM 901 N ALA A 495 100.407 -1.987 3.930 1.00 0.00 N ATOM 902 CA ALA A 495 101.319 -0.924 4.332 1.00 0.00 C ATOM 903 C ALA A 495 102.747 -1.206 3.885 1.00 0.00 C ATOM 904 O ALA A 495 103.257 -2.315 4.050 1.00 0.00 O ATOM 905 CB ALA A 495 101.276 -0.713 5.839 1.00 0.00 C ATOM 0 H ALA A 495 100.330 -2.755 4.597 1.00 0.00 H new ATOM 0 HA ALA A 495 100.985 -0.012 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 495 101.965 0.085 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.265 -0.439 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.567 -1.634 6.344 1.00 0.00 H new ATOM 911 N ARG A 496 103.391 -0.185 3.329 1.00 0.00 N ATOM 912 CA ARG A 496 104.767 -0.300 2.867 1.00 0.00 C ATOM 913 C ARG A 496 105.729 0.135 3.964 1.00 0.00 C ATOM 914 O ARG A 496 105.549 1.190 4.576 1.00 0.00 O ATOM 915 CB ARG A 496 104.983 0.556 1.617 1.00 0.00 C ATOM 916 CG ARG A 496 103.706 0.841 0.846 1.00 0.00 C ATOM 917 CD ARG A 496 103.993 1.592 -0.444 1.00 0.00 C ATOM 918 NE ARG A 496 103.848 3.035 -0.277 1.00 0.00 N ATOM 919 CZ ARG A 496 104.212 3.923 -1.196 1.00 0.00 C ATOM 920 NH1 ARG A 496 104.742 3.517 -2.343 1.00 0.00 N ATOM 921 NH2 ARG A 496 104.047 5.219 -0.969 1.00 0.00 N ATOM 0 H ARG A 496 102.977 0.737 3.187 1.00 0.00 H new ATOM 0 HA ARG A 496 104.961 -1.343 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.440 1.502 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.690 0.051 0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.200 -0.097 0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.028 1.427 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.005 1.365 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.314 1.247 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 496 103.445 3.381 0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 496 104.871 2.521 -2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 496 105.020 4.201 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 496 103.640 5.535 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 496 104.327 5.900 -1.675 1.00 0.00 H new ATOM 935 N PHE A 497 106.750 -0.679 4.209 1.00 0.00 N ATOM 936 CA PHE A 497 107.737 -0.372 5.236 1.00 0.00 C ATOM 937 C PHE A 497 109.062 0.037 4.603 1.00 0.00 C ATOM 938 O PHE A 497 109.478 -0.532 3.599 1.00 0.00 O ATOM 939 CB PHE A 497 107.942 -1.581 6.151 1.00 0.00 C ATOM 940 CG PHE A 497 106.728 -1.930 6.968 1.00 0.00 C ATOM 941 CD1 PHE A 497 106.817 -2.047 8.346 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.500 -2.140 6.359 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.704 -2.368 9.101 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.384 -2.462 7.110 1.00 0.00 C ATOM 945 CZ PHE A 497 104.487 -2.576 8.482 1.00 0.00 C ATOM 0 H PHE A 497 106.915 -1.554 3.712 1.00 0.00 H new ATOM 0 HA PHE A 497 107.366 0.463 5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.221 -2.442 5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.777 -1.380 6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 497 107.766 -1.886 8.836 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.414 -2.051 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 497 105.786 -2.456 10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.433 -2.624 6.624 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.617 -2.828 9.070 1.00 0.00 H new ATOM 955 N LYS A 498 109.723 1.029 5.189 1.00 0.00 N ATOM 956 CA LYS A 498 110.999 1.500 4.664 1.00 0.00 C ATOM 957 C LYS A 498 112.016 0.364 4.616 1.00 0.00 C ATOM 958 O LYS A 498 113.029 0.453 3.924 1.00 0.00 O ATOM 959 CB LYS A 498 111.540 2.656 5.507 1.00 0.00 C ATOM 960 CG LYS A 498 111.819 3.913 4.698 1.00 0.00 C ATOM 961 CD LYS A 498 112.546 4.963 5.523 1.00 0.00 C ATOM 962 CE LYS A 498 112.646 6.284 4.775 1.00 0.00 C ATOM 963 NZ LYS A 498 113.087 6.093 3.364 1.00 0.00 N ATOM 0 H LYS A 498 109.399 1.520 6.022 1.00 0.00 H new ATOM 0 HA LYS A 498 110.831 1.860 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.822 2.890 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.459 2.338 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 498 112.418 3.658 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 498 110.879 4.325 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 498 112.020 5.116 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 498 113.546 4.606 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 498 111.677 6.783 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.349 6.940 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 113.602 6.938 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 113.712 5.264 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 112.255 5.944 2.758 1.00 0.00 H new ATOM 977 N THR A 499 111.732 -0.706 5.351 1.00 0.00 N ATOM 978 CA THR A 499 112.615 -1.867 5.389 1.00 0.00 C ATOM 979 C THR A 499 111.824 -3.147 5.618 1.00 0.00 C ATOM 980 O THR A 499 110.769 -3.136 6.252 1.00 0.00 O ATOM 981 CB THR A 499 113.677 -1.740 6.494 1.00 0.00 C ATOM 982 OG1 THR A 499 113.288 -0.783 7.488 1.00 0.00 O ATOM 983 CG2 THR A 499 115.018 -1.316 5.915 1.00 0.00 C ATOM 0 H THR A 499 110.896 -0.794 5.929 1.00 0.00 H new ATOM 0 HA THR A 499 113.114 -1.910 4.421 1.00 0.00 H new ATOM 0 HB THR A 499 113.768 -2.723 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.983 -0.726 8.177 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.751 -1.234 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.354 -2.059 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.912 -0.351 5.420 1.00 0.00 H new ATOM 991 N PRO A 500 112.333 -4.273 5.101 1.00 0.00 N ATOM 992 CA PRO A 500 111.681 -5.578 5.244 1.00 0.00 C ATOM 993 C PRO A 500 111.800 -6.140 6.656 1.00 0.00 C ATOM 994 O PRO A 500 110.879 -6.782 7.161 1.00 0.00 O ATOM 995 CB PRO A 500 112.448 -6.457 4.256 1.00 0.00 C ATOM 996 CG PRO A 500 113.798 -5.836 4.164 1.00 0.00 C ATOM 997 CD PRO A 500 113.588 -4.358 4.332 1.00 0.00 C ATOM 0 HA PRO A 500 110.609 -5.522 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 500 112.509 -7.487 4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 500 111.956 -6.481 3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 500 114.460 -6.226 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 500 114.264 -6.057 3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.417 -3.893 4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 500 113.504 -3.853 3.370 1.00 0.00 H new ATOM 1005 N GLU A 501 112.943 -5.895 7.285 1.00 0.00 N ATOM 1006 CA GLU A 501 113.196 -6.377 8.639 1.00 0.00 C ATOM 1007 C GLU A 501 112.227 -5.752 9.639 1.00 0.00 C ATOM 1008 O GLU A 501 111.808 -6.400 10.599 1.00 0.00 O ATOM 1009 CB GLU A 501 114.635 -6.065 9.052 1.00 0.00 C ATOM 1010 CG GLU A 501 115.653 -6.301 7.947 1.00 0.00 C ATOM 1011 CD GLU A 501 117.081 -6.105 8.419 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.328 -5.145 9.178 1.00 0.00 O ATOM 1013 OE2 GLU A 501 117.951 -6.911 8.029 1.00 0.00 O ATOM 0 H GLU A 501 113.713 -5.363 6.878 1.00 0.00 H new ATOM 0 HA GLU A 501 113.044 -7.456 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.694 -5.025 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 501 114.898 -6.679 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.537 -7.314 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 501 115.451 -5.620 7.120 1.00 0.00 H new ATOM 1020 N ASP A 502 111.885 -4.488 9.414 1.00 0.00 N ATOM 1021 CA ASP A 502 110.976 -3.768 10.301 1.00 0.00 C ATOM 1022 C ASP A 502 109.590 -4.406 10.319 1.00 0.00 C ATOM 1023 O ASP A 502 108.932 -4.452 11.358 1.00 0.00 O ATOM 1024 CB ASP A 502 110.867 -2.305 9.866 1.00 0.00 C ATOM 1025 CG ASP A 502 110.884 -1.348 11.042 1.00 0.00 C ATOM 1026 OD1 ASP A 502 109.879 -1.299 11.782 1.00 0.00 O ATOM 1027 OD2 ASP A 502 111.903 -0.648 11.222 1.00 0.00 O ATOM 0 H ASP A 502 112.224 -3.939 8.624 1.00 0.00 H new ATOM 0 HA ASP A 502 111.385 -3.819 11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.692 -2.066 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.946 -2.165 9.301 1.00 0.00 H new ATOM 1032 N ALA A 503 109.145 -4.888 9.163 1.00 0.00 N ATOM 1033 CA ALA A 503 107.831 -5.511 9.052 1.00 0.00 C ATOM 1034 C ALA A 503 107.758 -6.812 9.847 1.00 0.00 C ATOM 1035 O ALA A 503 106.754 -7.093 10.501 1.00 0.00 O ATOM 1036 CB ALA A 503 107.477 -5.768 7.594 1.00 0.00 C ATOM 0 H ALA A 503 109.674 -4.859 8.291 1.00 0.00 H new ATOM 0 HA ALA A 503 107.105 -4.816 9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 503 106.493 -6.233 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.465 -4.823 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.219 -6.432 7.151 1.00 0.00 H new ATOM 1042 N GLN A 504 108.823 -7.603 9.784 1.00 0.00 N ATOM 1043 CA GLN A 504 108.872 -8.878 10.494 1.00 0.00 C ATOM 1044 C GLN A 504 108.609 -8.699 11.987 1.00 0.00 C ATOM 1045 O GLN A 504 107.931 -9.516 12.610 1.00 0.00 O ATOM 1046 CB GLN A 504 110.232 -9.547 10.287 1.00 0.00 C ATOM 1047 CG GLN A 504 110.464 -10.746 11.194 1.00 0.00 C ATOM 1048 CD GLN A 504 111.654 -11.581 10.766 1.00 0.00 C ATOM 1049 OE1 GLN A 504 112.293 -11.300 9.752 1.00 0.00 O ATOM 1050 NE2 GLN A 504 111.959 -12.617 11.540 1.00 0.00 N ATOM 0 H GLN A 504 109.664 -7.385 9.249 1.00 0.00 H new ATOM 0 HA GLN A 504 108.087 -9.514 10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.317 -9.866 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.019 -8.813 10.460 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.617 -10.399 12.216 1.00 0.00 H new ATOM 0 HG3 GLN A 504 109.571 -11.370 11.200 1.00 0.00 H new ATOM 0 HE21 GLN A 504 111.402 -12.814 12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 504 112.750 -13.216 11.302 1.00 0.00 H new ATOM 1059 N ALA A 505 109.165 -7.639 12.561 1.00 0.00 N ATOM 1060 CA ALA A 505 109.000 -7.371 13.986 1.00 0.00 C ATOM 1061 C ALA A 505 107.546 -7.060 14.343 1.00 0.00 C ATOM 1062 O ALA A 505 107.048 -7.500 15.379 1.00 0.00 O ATOM 1063 CB ALA A 505 109.902 -6.230 14.429 1.00 0.00 C ATOM 0 H ALA A 505 109.733 -6.952 12.064 1.00 0.00 H new ATOM 0 HA ALA A 505 109.288 -8.278 14.518 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.762 -6.048 15.495 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.942 -6.494 14.240 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.649 -5.329 13.871 1.00 0.00 H new ATOM 1069 N VAL A 506 106.873 -6.291 13.492 1.00 0.00 N ATOM 1070 CA VAL A 506 105.482 -5.917 13.739 1.00 0.00 C ATOM 1071 C VAL A 506 104.538 -7.111 13.618 1.00 0.00 C ATOM 1072 O VAL A 506 103.631 -7.279 14.433 1.00 0.00 O ATOM 1073 CB VAL A 506 105.021 -4.815 12.767 1.00 0.00 C ATOM 1074 CG1 VAL A 506 103.661 -4.272 13.181 1.00 0.00 C ATOM 1075 CG2 VAL A 506 106.053 -3.699 12.697 1.00 0.00 C ATOM 0 H VAL A 506 107.265 -5.915 12.629 1.00 0.00 H new ATOM 0 HA VAL A 506 105.442 -5.542 14.762 1.00 0.00 H new ATOM 0 HB VAL A 506 104.924 -5.250 11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 506 103.352 -3.494 12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 506 102.929 -5.079 13.173 1.00 0.00 H new ATOM 0 HG13 VAL A 506 103.727 -3.853 14.185 1.00 0.00 H new ATOM 0 HG21 VAL A 506 105.710 -2.929 12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 506 106.186 -3.264 13.687 1.00 0.00 H new ATOM 0 HG23 VAL A 506 107.003 -4.103 12.348 1.00 0.00 H new ATOM 1085 N ILE A 507 104.748 -7.933 12.596 1.00 0.00 N ATOM 1086 CA ILE A 507 103.901 -9.102 12.376 1.00 0.00 C ATOM 1087 C ILE A 507 104.033 -10.104 13.516 1.00 0.00 C ATOM 1088 O ILE A 507 103.074 -10.794 13.864 1.00 0.00 O ATOM 1089 CB ILE A 507 104.230 -9.816 11.050 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.734 -10.063 10.918 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.714 -9.008 9.869 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.191 -11.364 11.541 1.00 0.00 C ATOM 0 H ILE A 507 105.493 -7.814 11.909 1.00 0.00 H new ATOM 0 HA ILE A 507 102.878 -8.730 12.331 1.00 0.00 H new ATOM 0 HB ILE A 507 103.730 -10.784 11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.003 -10.062 9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.272 -9.238 11.385 1.00 0.00 H new ATOM 0 HG21 ILE A 507 103.955 -9.526 8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.633 -8.893 9.951 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.184 -8.025 9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.268 -11.472 11.409 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.954 -11.361 12.605 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.681 -12.198 11.058 1.00 0.00 H new ATOM 1104 N ASN A 508 105.218 -10.166 14.108 1.00 0.00 N ATOM 1105 CA ASN A 508 105.456 -11.071 15.224 1.00 0.00 C ATOM 1106 C ASN A 508 104.702 -10.587 16.456 1.00 0.00 C ATOM 1107 O ASN A 508 104.121 -11.377 17.200 1.00 0.00 O ATOM 1108 CB ASN A 508 106.953 -11.167 15.526 1.00 0.00 C ATOM 1109 CG ASN A 508 107.678 -12.078 14.556 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.186 -13.152 14.208 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.857 -11.654 14.113 1.00 0.00 N ATOM 0 H ASN A 508 106.025 -9.604 13.836 1.00 0.00 H new ATOM 0 HA ASN A 508 105.094 -12.063 14.953 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.394 -10.171 15.485 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.094 -11.536 16.542 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.391 -12.225 13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.227 -10.757 14.427 1.00 0.00 H new ATOM 1118 N ALA A 509 104.719 -9.274 16.653 1.00 0.00 N ATOM 1119 CA ALA A 509 104.041 -8.645 17.781 1.00 0.00 C ATOM 1120 C ALA A 509 102.536 -8.560 17.559 1.00 0.00 C ATOM 1121 O ALA A 509 101.760 -8.490 18.513 1.00 0.00 O ATOM 1122 CB ALA A 509 104.601 -7.256 18.042 1.00 0.00 C ATOM 0 H ALA A 509 105.201 -8.618 16.039 1.00 0.00 H new ATOM 0 HA ALA A 509 104.221 -9.273 18.653 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.080 -6.807 18.887 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.665 -7.329 18.268 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.460 -6.635 17.157 1.00 0.00 H new ATOM 1128 N TYR A 510 102.131 -8.536 16.295 1.00 0.00 N ATOM 1129 CA TYR A 510 100.721 -8.423 15.948 1.00 0.00 C ATOM 1130 C TYR A 510 99.904 -9.601 16.451 1.00 0.00 C ATOM 1131 O TYR A 510 98.675 -9.545 16.462 1.00 0.00 O ATOM 1132 CB TYR A 510 100.547 -8.286 14.442 1.00 0.00 C ATOM 1133 CG TYR A 510 100.048 -6.923 14.029 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.118 -6.777 13.009 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.512 -5.780 14.667 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.663 -5.528 12.635 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.060 -4.527 14.297 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.137 -4.407 13.280 1.00 0.00 C ATOM 1139 OH TYR A 510 98.685 -3.161 12.909 1.00 0.00 O ATOM 0 H TYR A 510 102.760 -8.593 15.494 1.00 0.00 H new ATOM 0 HA TYR A 510 100.349 -7.525 16.442 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.501 -8.482 13.952 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.847 -9.045 14.092 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.745 -7.653 12.500 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.236 -5.871 15.463 1.00 0.00 H new ATOM 0 HE1 TYR A 510 97.938 -5.430 11.840 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.428 -3.646 14.802 1.00 0.00 H new ATOM 0 HH TYR A 510 97.752 -3.226 12.615 1.00 0.00 H new ATOM 1149 N THR A 511 100.572 -10.660 16.885 1.00 0.00 N ATOM 1150 CA THR A 511 99.859 -11.815 17.400 1.00 0.00 C ATOM 1151 C THR A 511 98.921 -11.368 18.511 1.00 0.00 C ATOM 1152 O THR A 511 97.830 -11.911 18.686 1.00 0.00 O ATOM 1153 CB THR A 511 100.822 -12.887 17.943 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.683 -12.353 18.957 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.687 -13.455 16.828 1.00 0.00 C ATOM 0 H THR A 511 101.589 -10.742 16.891 1.00 0.00 H new ATOM 0 HA THR A 511 99.295 -12.258 16.579 1.00 0.00 H new ATOM 0 HB THR A 511 100.205 -13.676 18.372 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.508 -12.021 18.544 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.358 -14.210 17.237 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.050 -13.909 16.069 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.273 -12.654 16.378 1.00 0.00 H new ATOM 1163 N GLU A 512 99.374 -10.370 19.261 1.00 0.00 N ATOM 1164 CA GLU A 512 98.603 -9.822 20.372 1.00 0.00 C ATOM 1165 C GLU A 512 97.255 -9.294 19.899 1.00 0.00 C ATOM 1166 O GLU A 512 96.227 -9.537 20.531 1.00 0.00 O ATOM 1167 CB GLU A 512 99.388 -8.702 21.056 1.00 0.00 C ATOM 1168 CG GLU A 512 99.410 -8.812 22.571 1.00 0.00 C ATOM 1169 CD GLU A 512 100.216 -10.000 23.056 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.786 -11.148 22.816 1.00 0.00 O ATOM 1171 OE2 GLU A 512 101.279 -9.783 23.675 1.00 0.00 O ATOM 0 H GLU A 512 100.278 -9.921 19.118 1.00 0.00 H new ATOM 0 HA GLU A 512 98.424 -10.626 21.086 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.413 -8.709 20.685 1.00 0.00 H new ATOM 0 HB3 GLU A 512 98.954 -7.742 20.776 1.00 0.00 H new ATOM 0 HG2 GLU A 512 99.828 -7.898 22.992 1.00 0.00 H new ATOM 0 HG3 GLU A 512 98.388 -8.895 22.941 1.00 0.00 H new ATOM 1178 N ILE A 513 97.264 -8.569 18.786 1.00 0.00 N ATOM 1179 CA ILE A 513 96.039 -8.009 18.235 1.00 0.00 C ATOM 1180 C ILE A 513 94.881 -8.986 18.392 1.00 0.00 C ATOM 1181 O ILE A 513 93.778 -8.602 18.784 1.00 0.00 O ATOM 1182 CB ILE A 513 96.210 -7.647 16.744 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.388 -6.685 16.562 1.00 0.00 C ATOM 1184 CG2 ILE A 513 94.932 -7.035 16.187 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.592 -5.742 17.730 1.00 0.00 C ATOM 0 H ILE A 513 98.105 -8.356 18.250 1.00 0.00 H new ATOM 0 HA ILE A 513 95.818 -7.098 18.792 1.00 0.00 H new ATOM 0 HB ILE A 513 96.418 -8.562 16.190 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.299 -7.265 16.411 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.230 -6.099 15.657 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.075 -6.788 15.135 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.114 -7.749 16.284 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.690 -6.129 16.743 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.443 -5.092 17.528 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.697 -5.135 17.868 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.782 -6.319 18.635 1.00 0.00 H new ATOM 1197 N ASN A 514 95.140 -10.252 18.084 1.00 0.00 N ATOM 1198 CA ASN A 514 94.125 -11.293 18.186 1.00 0.00 C ATOM 1199 C ASN A 514 93.431 -11.270 19.547 1.00 0.00 C ATOM 1200 O ASN A 514 92.251 -11.601 19.654 1.00 0.00 O ATOM 1201 CB ASN A 514 94.754 -12.665 17.951 1.00 0.00 C ATOM 1202 CG ASN A 514 93.808 -13.798 18.295 1.00 0.00 C ATOM 1203 OD1 ASN A 514 92.559 -13.675 17.862 1.00 0.00 O flip ATOM 1204 ND2 ASN A 514 94.194 -14.772 18.942 1.00 0.00 N flip ATOM 0 H ASN A 514 96.049 -10.583 17.760 1.00 0.00 H new ATOM 0 HA ASN A 514 93.374 -11.099 17.420 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.055 -12.750 16.907 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.659 -12.755 18.552 1.00 0.00 H new ATOM 0 HD21 ASN A 514 95.163 -14.825 19.255 1.00 0.00 H new ATOM 0 HD22 ASN A 514 93.544 -15.526 19.165 1.00 0.00 H new ATOM 1211 N LYS A 515 94.168 -10.885 20.585 1.00 0.00 N ATOM 1212 CA LYS A 515 93.610 -10.828 21.932 1.00 0.00 C ATOM 1213 C LYS A 515 92.276 -10.091 21.928 1.00 0.00 C ATOM 1214 O LYS A 515 91.431 -10.301 22.797 1.00 0.00 O ATOM 1215 CB LYS A 515 94.586 -10.143 22.890 1.00 0.00 C ATOM 1216 CG LYS A 515 95.818 -10.979 23.198 1.00 0.00 C ATOM 1217 CD LYS A 515 95.446 -12.298 23.853 1.00 0.00 C ATOM 1218 CE LYS A 515 96.204 -12.508 25.154 1.00 0.00 C ATOM 1219 NZ LYS A 515 97.674 -12.592 24.932 1.00 0.00 N ATOM 0 H LYS A 515 95.148 -10.609 20.520 1.00 0.00 H new ATOM 0 HA LYS A 515 93.444 -11.849 22.275 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.900 -9.192 22.459 1.00 0.00 H new ATOM 0 HB3 LYS A 515 94.069 -9.915 23.822 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.368 -11.171 22.277 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.483 -10.420 23.856 1.00 0.00 H new ATOM 0 HD2 LYS A 515 94.374 -12.319 24.048 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.661 -13.119 23.169 1.00 0.00 H new ATOM 0 HE2 LYS A 515 95.986 -11.687 25.838 1.00 0.00 H new ATOM 0 HE3 LYS A 515 95.856 -13.423 25.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 98.135 -12.951 25.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 97.869 -13.237 24.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 98.046 -11.647 24.708 1.00 0.00 H new ATOM 1233 N LYS A 516 92.095 -9.240 20.927 1.00 0.00 N ATOM 1234 CA LYS A 516 90.865 -8.475 20.781 1.00 0.00 C ATOM 1235 C LYS A 516 90.195 -8.815 19.456 1.00 0.00 C ATOM 1236 O LYS A 516 88.984 -9.024 19.389 1.00 0.00 O ATOM 1237 CB LYS A 516 91.159 -6.974 20.855 1.00 0.00 C ATOM 1238 CG LYS A 516 90.111 -6.179 21.617 1.00 0.00 C ATOM 1239 CD LYS A 516 88.718 -6.759 21.430 1.00 0.00 C ATOM 1240 CE LYS A 516 88.351 -7.703 22.563 1.00 0.00 C ATOM 1241 NZ LYS A 516 87.002 -7.405 23.117 1.00 0.00 N ATOM 0 H LYS A 516 92.789 -9.062 20.201 1.00 0.00 H new ATOM 0 HA LYS A 516 90.190 -8.737 21.596 1.00 0.00 H new ATOM 0 HB2 LYS A 516 92.129 -6.827 21.330 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.236 -6.578 19.842 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.362 -6.170 22.678 1.00 0.00 H new ATOM 0 HG3 LYS A 516 90.122 -5.143 21.278 1.00 0.00 H new ATOM 0 HD2 LYS A 516 87.990 -5.950 21.379 1.00 0.00 H new ATOM 0 HD3 LYS A 516 88.669 -7.292 20.481 1.00 0.00 H new ATOM 0 HE2 LYS A 516 88.376 -8.731 22.202 1.00 0.00 H new ATOM 0 HE3 LYS A 516 89.095 -7.625 23.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 86.788 -8.070 23.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 86.985 -6.432 23.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 86.289 -7.504 22.366 1.00 0.00 H new ATOM 1255 N HIS A 517 91.000 -8.879 18.403 1.00 0.00 N ATOM 1256 CA HIS A 517 90.500 -9.201 17.073 1.00 0.00 C ATOM 1257 C HIS A 517 91.571 -9.911 16.254 1.00 0.00 C ATOM 1258 O HIS A 517 92.698 -9.429 16.137 1.00 0.00 O ATOM 1259 CB HIS A 517 90.047 -7.928 16.359 1.00 0.00 C ATOM 1260 CG HIS A 517 89.499 -6.891 17.290 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.176 -6.851 17.678 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.104 -5.857 17.920 1.00 0.00 C ATOM 1263 CE1 HIS A 517 87.992 -5.838 18.506 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.147 -5.219 18.669 1.00 0.00 N ATOM 0 H HIS A 517 92.005 -8.712 18.445 1.00 0.00 H new ATOM 0 HA HIS A 517 89.646 -9.871 17.178 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.890 -7.506 15.812 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.286 -8.184 15.622 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.146 -5.584 17.847 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.056 -5.563 18.970 1.00 0.00 H new ATOM 0 HE2 HIS A 517 89.303 -4.400 19.256 1.00 0.00 H new ATOM 1273 N CYS A 518 91.214 -11.060 15.692 1.00 0.00 N ATOM 1274 CA CYS A 518 92.148 -11.838 14.888 1.00 0.00 C ATOM 1275 C CYS A 518 92.569 -11.064 13.645 1.00 0.00 C ATOM 1276 O CYS A 518 91.745 -10.756 12.783 1.00 0.00 O ATOM 1277 CB CYS A 518 91.519 -13.171 14.484 1.00 0.00 C ATOM 1278 SG CYS A 518 90.113 -13.015 13.359 1.00 0.00 S ATOM 0 H CYS A 518 90.285 -11.473 15.778 1.00 0.00 H new ATOM 0 HA CYS A 518 93.035 -12.032 15.492 1.00 0.00 H new ATOM 0 HB2 CYS A 518 92.281 -13.791 14.012 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.194 -13.694 15.383 1.00 0.00 H new ATOM 0 HG CYS A 518 90.253 -11.944 12.636 1.00 0.00 H new ATOM 1284 N TRP A 519 93.857 -10.750 13.556 1.00 0.00 N ATOM 1285 CA TRP A 519 94.381 -10.012 12.415 1.00 0.00 C ATOM 1286 C TRP A 519 95.426 -10.822 11.664 1.00 0.00 C ATOM 1287 O TRP A 519 96.194 -11.578 12.256 1.00 0.00 O ATOM 1288 CB TRP A 519 94.976 -8.680 12.861 1.00 0.00 C ATOM 1289 CG TRP A 519 94.615 -7.558 11.943 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.891 -7.652 10.791 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.957 -6.176 12.092 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.758 -6.422 10.215 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.404 -5.492 10.993 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.673 -5.450 13.047 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.547 -4.115 10.823 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.815 -4.085 12.877 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.254 -3.431 11.773 1.00 0.00 C ATOM 0 H TRP A 519 94.555 -10.995 14.259 1.00 0.00 H new ATOM 0 HA TRP A 519 93.548 -9.819 11.739 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.627 -8.449 13.868 1.00 0.00 H new ATOM 0 HB3 TRP A 519 96.061 -8.769 12.912 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.482 -8.568 10.392 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.260 -6.225 9.347 1.00 0.00 H new ATOM 0 HE3 TRP A 519 96.108 -5.946 13.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 94.115 -3.608 9.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.368 -3.514 13.608 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.382 -2.364 11.670 1.00 0.00 H new ATOM 1308 N LYS A 520 95.434 -10.656 10.350 1.00 0.00 N ATOM 1309 CA LYS A 520 96.365 -11.364 9.490 1.00 0.00 C ATOM 1310 C LYS A 520 97.423 -10.422 8.934 1.00 0.00 C ATOM 1311 O LYS A 520 97.110 -9.318 8.487 1.00 0.00 O ATOM 1312 CB LYS A 520 95.605 -12.009 8.341 1.00 0.00 C ATOM 1313 CG LYS A 520 94.227 -12.514 8.736 1.00 0.00 C ATOM 1314 CD LYS A 520 94.317 -13.667 9.722 1.00 0.00 C ATOM 1315 CE LYS A 520 93.194 -13.614 10.744 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.047 -14.479 10.354 1.00 0.00 N ATOM 0 H LYS A 520 94.799 -10.031 9.854 1.00 0.00 H new ATOM 0 HA LYS A 520 96.865 -12.130 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.500 -11.285 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.190 -12.841 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.653 -11.700 9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.688 -12.837 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.275 -14.613 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.279 -13.635 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.573 -13.930 11.716 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.852 -12.585 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.302 -14.415 11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.669 -14.162 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.367 -15.465 10.274 1.00 0.00 H new ATOM 1330 N LEU A 521 98.672 -10.865 8.955 1.00 0.00 N ATOM 1331 CA LEU A 521 99.772 -10.061 8.444 1.00 0.00 C ATOM 1332 C LEU A 521 100.726 -10.912 7.615 1.00 0.00 C ATOM 1333 O LEU A 521 101.397 -11.800 8.139 1.00 0.00 O ATOM 1334 CB LEU A 521 100.532 -9.398 9.594 1.00 0.00 C ATOM 1335 CG LEU A 521 99.652 -8.758 10.669 1.00 0.00 C ATOM 1336 CD1 LEU A 521 98.680 -7.769 10.045 1.00 0.00 C ATOM 1337 CD2 LEU A 521 98.900 -9.826 11.447 1.00 0.00 C ATOM 0 H LEU A 521 98.948 -11.776 9.320 1.00 0.00 H new ATOM 0 HA LEU A 521 99.352 -9.285 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 521 101.170 -10.145 10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.189 -8.633 9.181 1.00 0.00 H new ATOM 0 HG LEU A 521 100.295 -8.216 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 521 98.063 -7.324 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.238 -6.985 9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 521 98.042 -8.288 9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.279 -9.353 12.208 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.268 -10.396 10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 521 99.613 -10.497 11.927 1.00 0.00 H new ATOM 1349 N GLU A 522 100.783 -10.631 6.319 1.00 0.00 N ATOM 1350 CA GLU A 522 101.659 -11.366 5.418 1.00 0.00 C ATOM 1351 C GLU A 522 102.554 -10.409 4.639 1.00 0.00 C ATOM 1352 O GLU A 522 102.070 -9.498 3.966 1.00 0.00 O ATOM 1353 CB GLU A 522 100.834 -12.220 4.454 1.00 0.00 C ATOM 1354 CG GLU A 522 101.623 -12.717 3.254 1.00 0.00 C ATOM 1355 CD GLU A 522 100.987 -13.930 2.603 1.00 0.00 C ATOM 1356 OE1 GLU A 522 101.131 -15.042 3.153 1.00 0.00 O ATOM 1357 OE2 GLU A 522 100.344 -13.768 1.546 1.00 0.00 O ATOM 0 H GLU A 522 100.233 -9.899 5.869 1.00 0.00 H new ATOM 0 HA GLU A 522 102.292 -12.022 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.432 -13.077 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 522 99.983 -11.637 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.705 -11.916 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.637 -12.967 3.568 1.00 0.00 H new ATOM 1364 N ILE A 523 103.862 -10.619 4.737 1.00 0.00 N ATOM 1365 CA ILE A 523 104.826 -9.775 4.044 1.00 0.00 C ATOM 1366 C ILE A 523 105.112 -10.305 2.645 1.00 0.00 C ATOM 1367 O ILE A 523 105.621 -11.414 2.483 1.00 0.00 O ATOM 1368 CB ILE A 523 106.149 -9.678 4.827 1.00 0.00 C ATOM 1369 CG1 ILE A 523 105.920 -8.993 6.175 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.192 -8.927 4.016 1.00 0.00 C ATOM 1371 CD1 ILE A 523 105.583 -9.956 7.293 1.00 0.00 C ATOM 0 H ILE A 523 104.279 -11.368 5.291 1.00 0.00 H new ATOM 0 HA ILE A 523 104.384 -8.782 3.969 1.00 0.00 H new ATOM 0 HB ILE A 523 106.519 -10.687 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.815 -8.434 6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.111 -8.270 6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.121 -8.867 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.373 -9.454 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 523 106.832 -7.921 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 523 105.434 -9.401 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 523 104.671 -10.498 7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 523 106.402 -10.664 7.422 1.00 0.00 H new ATOM 1383 N LEU A 524 104.782 -9.507 1.634 1.00 0.00 N ATOM 1384 CA LEU A 524 105.007 -9.901 0.251 1.00 0.00 C ATOM 1385 C LEU A 524 106.495 -10.090 -0.019 1.00 0.00 C ATOM 1386 O LEU A 524 107.326 -9.324 0.467 1.00 0.00 O ATOM 1387 CB LEU A 524 104.423 -8.857 -0.704 1.00 0.00 C ATOM 1388 CG LEU A 524 102.893 -8.773 -0.721 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.398 -8.388 -2.107 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.278 -10.097 -0.284 1.00 0.00 C ATOM 0 H LEU A 524 104.359 -8.586 1.748 1.00 0.00 H new ATOM 0 HA LEU A 524 104.502 -10.852 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.822 -7.879 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 524 104.770 -9.077 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 524 102.583 -8.002 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.309 -8.333 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 524 102.809 -7.417 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.720 -9.138 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.191 -10.017 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.595 -10.888 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.607 -10.335 0.728 1.00 0.00 H new ATOM 1402 N SER A 525 106.823 -11.123 -0.785 1.00 0.00 N ATOM 1403 CA SER A 525 108.211 -11.426 -1.108 1.00 0.00 C ATOM 1404 C SER A 525 108.342 -11.944 -2.534 1.00 0.00 C ATOM 1405 O SER A 525 107.364 -12.383 -3.139 1.00 0.00 O ATOM 1406 CB SER A 525 108.773 -12.448 -0.120 1.00 0.00 C ATOM 1407 OG SER A 525 109.992 -11.996 0.445 1.00 0.00 O ATOM 0 H SER A 525 106.145 -11.766 -1.195 1.00 0.00 H new ATOM 0 HA SER A 525 108.786 -10.503 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.047 -12.630 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.935 -13.399 -0.628 1.00 0.00 H new ATOM 0 HG SER A 525 110.329 -12.667 1.075 1.00 0.00 H new ATOM 1413 N GLY A 526 109.557 -11.888 -3.065 1.00 0.00 N ATOM 1414 CA GLY A 526 109.798 -12.356 -4.417 1.00 0.00 C ATOM 1415 C GLY A 526 108.862 -11.717 -5.420 1.00 0.00 C ATOM 1416 O GLY A 526 108.314 -10.643 -5.170 1.00 0.00 O ATOM 0 H GLY A 526 110.380 -11.527 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.829 -12.139 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.679 -13.439 -4.451 1.00 0.00 H new ATOM 1420 N ASP A 527 108.673 -12.375 -6.559 1.00 0.00 N ATOM 1421 CA ASP A 527 107.795 -11.851 -7.595 1.00 0.00 C ATOM 1422 C ASP A 527 106.538 -11.247 -6.980 1.00 0.00 C ATOM 1423 O ASP A 527 105.965 -10.300 -7.519 1.00 0.00 O ATOM 1424 CB ASP A 527 107.411 -12.961 -8.577 1.00 0.00 C ATOM 1425 CG ASP A 527 108.252 -12.938 -9.838 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.115 -13.869 -10.659 1.00 0.00 O ATOM 1427 OD2 ASP A 527 109.048 -11.990 -10.005 1.00 0.00 O ATOM 0 H ASP A 527 109.114 -13.266 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 527 108.331 -11.069 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 527 107.522 -13.929 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 527 106.359 -12.858 -8.844 1.00 0.00 H new ATOM 1432 N HIS A 528 106.113 -11.798 -5.845 1.00 0.00 N ATOM 1433 CA HIS A 528 104.923 -11.305 -5.161 1.00 0.00 C ATOM 1434 C HIS A 528 105.128 -9.879 -4.660 1.00 0.00 C ATOM 1435 O HIS A 528 104.265 -9.017 -4.843 1.00 0.00 O ATOM 1436 CB HIS A 528 104.563 -12.222 -3.989 1.00 0.00 C ATOM 1437 CG HIS A 528 103.105 -12.554 -3.920 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.533 -13.227 -2.861 1.00 0.00 N ATOM 1439 CD2 HIS A 528 102.099 -12.299 -4.790 1.00 0.00 C ATOM 1440 CE1 HIS A 528 101.239 -13.373 -3.083 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.950 -12.818 -4.246 1.00 0.00 N ATOM 0 H HIS A 528 106.573 -12.582 -5.383 1.00 0.00 H new ATOM 0 HA HIS A 528 104.102 -11.303 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 528 105.135 -13.146 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.864 -11.743 -3.057 1.00 0.00 H new ATOM 0 HD2 HIS A 528 102.184 -11.784 -5.735 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.537 -13.863 -2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 528 100.024 -12.781 -4.671 1.00 0.00 H new ATOM 1450 N GLU A 529 106.274 -9.633 -4.029 1.00 0.00 N ATOM 1451 CA GLU A 529 106.581 -8.306 -3.508 1.00 0.00 C ATOM 1452 C GLU A 529 106.758 -7.312 -4.648 1.00 0.00 C ATOM 1453 O GLU A 529 106.212 -6.209 -4.618 1.00 0.00 O ATOM 1454 CB GLU A 529 107.850 -8.357 -2.652 1.00 0.00 C ATOM 1455 CG GLU A 529 109.134 -8.212 -3.454 1.00 0.00 C ATOM 1456 CD GLU A 529 110.376 -8.421 -2.610 1.00 0.00 C ATOM 1457 OE1 GLU A 529 110.253 -8.986 -1.502 1.00 0.00 O ATOM 1458 OE2 GLU A 529 111.471 -8.021 -3.057 1.00 0.00 O ATOM 0 H GLU A 529 107.000 -10.331 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 529 105.748 -7.976 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.806 -7.564 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.875 -9.303 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 529 109.130 -8.932 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 529 109.167 -7.219 -3.903 1.00 0.00 H new ATOM 1465 N GLN A 530 107.513 -7.720 -5.661 1.00 0.00 N ATOM 1466 CA GLN A 530 107.750 -6.875 -6.823 1.00 0.00 C ATOM 1467 C GLN A 530 106.449 -6.627 -7.577 1.00 0.00 C ATOM 1468 O GLN A 530 106.259 -5.575 -8.186 1.00 0.00 O ATOM 1469 CB GLN A 530 108.788 -7.515 -7.751 1.00 0.00 C ATOM 1470 CG GLN A 530 108.196 -8.477 -8.769 1.00 0.00 C ATOM 1471 CD GLN A 530 108.164 -7.894 -10.169 1.00 0.00 C ATOM 1472 OE1 GLN A 530 106.968 -7.767 -10.731 1.00 0.00 O flip ATOM 1473 NE2 GLN A 530 109.204 -7.564 -10.739 1.00 0.00 N flip ATOM 0 H GLN A 530 107.971 -8.631 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 530 108.139 -5.917 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.323 -6.726 -8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 530 109.522 -8.048 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.779 -9.398 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 530 107.183 -8.743 -8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 530 110.102 -7.679 -10.269 1.00 0.00 H new ATOM 0 HE22 GLN A 530 109.168 -7.175 -11.681 1.00 0.00 H new ATOM 1482 N ARG A 531 105.558 -7.613 -7.532 1.00 0.00 N ATOM 1483 CA ARG A 531 104.273 -7.523 -8.211 1.00 0.00 C ATOM 1484 C ARG A 531 103.429 -6.383 -7.648 1.00 0.00 C ATOM 1485 O ARG A 531 102.960 -5.523 -8.393 1.00 0.00 O ATOM 1486 CB ARG A 531 103.517 -8.847 -8.080 1.00 0.00 C ATOM 1487 CG ARG A 531 102.050 -8.755 -8.461 1.00 0.00 C ATOM 1488 CD ARG A 531 101.150 -9.082 -7.281 1.00 0.00 C ATOM 1489 NE ARG A 531 99.750 -9.196 -7.677 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.266 -10.214 -8.381 1.00 0.00 C ATOM 1491 NH1 ARG A 531 100.065 -11.202 -8.759 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.980 -10.246 -8.707 1.00 0.00 N ATOM 0 H ARG A 531 105.705 -8.488 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 531 104.461 -7.317 -9.265 1.00 0.00 H new ATOM 0 HB2 ARG A 531 104.000 -9.594 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.594 -9.199 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.829 -7.751 -8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.842 -9.442 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.475 -10.017 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 531 101.250 -8.306 -6.522 1.00 0.00 H new ATOM 0 HE ARG A 531 99.108 -8.454 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 531 101.054 -11.182 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 531 99.691 -11.982 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.361 -9.489 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.610 -11.028 -9.247 1.00 0.00 H new ATOM 1506 N TYR A 532 103.238 -6.379 -6.330 1.00 0.00 N ATOM 1507 CA TYR A 532 102.447 -5.338 -5.683 1.00 0.00 C ATOM 1508 C TYR A 532 103.074 -3.964 -5.907 1.00 0.00 C ATOM 1509 O TYR A 532 102.378 -2.995 -6.219 1.00 0.00 O ATOM 1510 CB TYR A 532 102.327 -5.623 -4.184 1.00 0.00 C ATOM 1511 CG TYR A 532 101.573 -4.558 -3.418 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.136 -3.308 -3.194 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.300 -4.803 -2.921 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.450 -2.333 -2.494 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.608 -3.833 -2.221 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.187 -2.600 -2.010 1.00 0.00 C ATOM 1517 OH TYR A 532 99.501 -1.632 -1.315 1.00 0.00 O ATOM 0 H TYR A 532 103.618 -7.080 -5.694 1.00 0.00 H new ATOM 0 HA TYR A 532 101.451 -5.338 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.826 -6.581 -4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.327 -5.722 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.125 -3.095 -3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.843 -5.768 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.902 -1.366 -2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.618 -4.040 -1.841 1.00 0.00 H new ATOM 0 HH TYR A 532 99.278 -0.893 -1.918 1.00 0.00 H new ATOM 1527 N TRP A 533 104.392 -3.888 -5.761 1.00 0.00 N ATOM 1528 CA TRP A 533 105.108 -2.635 -5.964 1.00 0.00 C ATOM 1529 C TRP A 533 104.941 -2.150 -7.399 1.00 0.00 C ATOM 1530 O TRP A 533 104.766 -0.957 -7.647 1.00 0.00 O ATOM 1531 CB TRP A 533 106.591 -2.806 -5.629 1.00 0.00 C ATOM 1532 CG TRP A 533 106.894 -2.558 -4.183 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.198 -3.494 -3.236 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.911 -1.291 -3.517 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.404 -2.885 -2.021 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.235 -1.533 -2.169 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.688 0.026 -3.930 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.336 -0.507 -1.232 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.791 1.042 -3.000 1.00 0.00 C ATOM 1540 CH2 TRP A 533 107.113 0.771 -1.663 1.00 0.00 C ATOM 0 H TRP A 533 104.985 -4.677 -5.504 1.00 0.00 H new ATOM 0 HA TRP A 533 104.685 -1.886 -5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.904 -3.816 -5.893 1.00 0.00 H new ATOM 0 HB3 TRP A 533 107.178 -2.121 -6.241 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.266 -4.557 -3.415 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.643 -3.361 -1.151 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.440 0.245 -4.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.582 -0.714 -0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.620 2.063 -3.308 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.186 1.587 -0.960 1.00 0.00 H new ATOM 1551 N GLN A 534 104.985 -3.088 -8.340 1.00 0.00 N ATOM 1552 CA GLN A 534 104.827 -2.759 -9.750 1.00 0.00 C ATOM 1553 C GLN A 534 103.503 -2.044 -9.981 1.00 0.00 C ATOM 1554 O GLN A 534 103.436 -1.059 -10.716 1.00 0.00 O ATOM 1555 CB GLN A 534 104.896 -4.027 -10.601 1.00 0.00 C ATOM 1556 CG GLN A 534 106.293 -4.616 -10.700 1.00 0.00 C ATOM 1557 CD GLN A 534 106.892 -4.465 -12.084 1.00 0.00 C ATOM 1558 OE1 GLN A 534 106.414 -5.063 -13.048 1.00 0.00 O ATOM 1559 NE2 GLN A 534 107.945 -3.662 -12.191 1.00 0.00 N ATOM 0 H GLN A 534 105.129 -4.080 -8.151 1.00 0.00 H new ATOM 0 HA GLN A 534 105.639 -2.095 -10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 534 104.224 -4.775 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 534 104.533 -3.802 -11.604 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.941 -4.128 -9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 534 106.257 -5.673 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 534 108.309 -3.186 -11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 534 108.389 -3.522 -13.098 1.00 0.00 H new ATOM 1568 N LYS A 535 102.454 -2.539 -9.333 1.00 0.00 N ATOM 1569 CA LYS A 535 101.134 -1.938 -9.455 1.00 0.00 C ATOM 1570 C LYS A 535 101.158 -0.513 -8.910 1.00 0.00 C ATOM 1571 O LYS A 535 100.526 0.387 -9.463 1.00 0.00 O ATOM 1572 CB LYS A 535 100.092 -2.784 -8.711 1.00 0.00 C ATOM 1573 CG LYS A 535 99.796 -2.306 -7.296 1.00 0.00 C ATOM 1574 CD LYS A 535 99.277 -3.437 -6.425 1.00 0.00 C ATOM 1575 CE LYS A 535 99.282 -3.054 -4.955 1.00 0.00 C ATOM 1576 NZ LYS A 535 98.601 -1.752 -4.716 1.00 0.00 N ATOM 0 H LYS A 535 102.493 -3.353 -8.720 1.00 0.00 H new ATOM 0 HA LYS A 535 100.857 -1.904 -10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.165 -2.785 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.441 -3.816 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 535 100.702 -1.891 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 535 99.060 -1.503 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 535 98.264 -3.698 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.893 -4.324 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.788 -3.834 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 535 100.311 -2.996 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 98.537 -1.577 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 99.145 -0.988 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.644 -1.781 -5.123 1.00 0.00 H new ATOM 1590 N ILE A 536 101.901 -0.319 -7.824 1.00 0.00 N ATOM 1591 CA ILE A 536 102.019 0.994 -7.201 1.00 0.00 C ATOM 1592 C ILE A 536 102.548 2.025 -8.190 1.00 0.00 C ATOM 1593 O ILE A 536 101.831 2.941 -8.593 1.00 0.00 O ATOM 1594 CB ILE A 536 102.956 0.956 -5.979 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.471 -0.077 -4.963 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.047 2.333 -5.339 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.363 -0.188 -3.746 1.00 0.00 C ATOM 0 H ILE A 536 102.430 -1.056 -7.358 1.00 0.00 H new ATOM 0 HA ILE A 536 101.018 1.278 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 536 103.951 0.664 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.463 0.185 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.408 -1.051 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.713 2.290 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.438 3.046 -6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.055 2.651 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.960 -0.939 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.366 -0.480 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.406 0.775 -3.238 1.00 0.00 H new ATOM 1609 N LEU A 537 103.810 1.870 -8.578 1.00 0.00 N ATOM 1610 CA LEU A 537 104.441 2.789 -9.517 1.00 0.00 C ATOM 1611 C LEU A 537 103.532 3.059 -10.712 1.00 0.00 C ATOM 1612 O LEU A 537 103.356 4.207 -11.125 1.00 0.00 O ATOM 1613 CB LEU A 537 105.782 2.225 -9.993 1.00 0.00 C ATOM 1614 CG LEU A 537 106.997 3.105 -9.694 1.00 0.00 C ATOM 1615 CD1 LEU A 537 106.861 3.756 -8.326 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.279 2.288 -9.773 1.00 0.00 C ATOM 0 H LEU A 537 104.416 1.115 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 537 104.616 3.733 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.935 1.251 -9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.728 2.060 -11.069 1.00 0.00 H new ATOM 0 HG LEU A 537 107.045 3.893 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 537 107.734 4.378 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 537 105.963 4.374 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 537 106.788 2.983 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 537 109.133 2.930 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.240 1.479 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 537 108.383 1.870 -10.774 1.00 0.00 H new ATOM 1628 N VAL A 538 102.957 1.996 -11.266 1.00 0.00 N ATOM 1629 CA VAL A 538 102.068 2.127 -12.413 1.00 0.00 C ATOM 1630 C VAL A 538 100.895 3.048 -12.098 1.00 0.00 C ATOM 1631 O VAL A 538 100.469 3.839 -12.941 1.00 0.00 O ATOM 1632 CB VAL A 538 101.521 0.758 -12.862 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.460 0.934 -13.936 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.651 -0.133 -13.357 1.00 0.00 C ATOM 0 H VAL A 538 103.090 1.039 -10.940 1.00 0.00 H new ATOM 0 HA VAL A 538 102.660 2.557 -13.221 1.00 0.00 H new ATOM 0 HB VAL A 538 101.058 0.272 -12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.085 -0.043 -14.241 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.638 1.531 -13.541 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.895 1.441 -14.798 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.245 -1.095 -13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.147 0.344 -14.203 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.372 -0.287 -12.554 1.00 0.00 H new ATOM 1644 N ASP A 539 100.376 2.944 -10.878 1.00 0.00 N ATOM 1645 CA ASP A 539 99.253 3.772 -10.455 1.00 0.00 C ATOM 1646 C ASP A 539 99.644 5.245 -10.433 1.00 0.00 C ATOM 1647 O ASP A 539 98.853 6.113 -10.801 1.00 0.00 O ATOM 1648 CB ASP A 539 98.770 3.340 -9.070 1.00 0.00 C ATOM 1649 CG ASP A 539 97.572 4.139 -8.597 1.00 0.00 C ATOM 1650 OD1 ASP A 539 96.939 4.814 -9.436 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.265 4.088 -7.387 1.00 0.00 O ATOM 0 H ASP A 539 100.715 2.296 -10.167 1.00 0.00 H new ATOM 0 HA ASP A 539 98.443 3.640 -11.173 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.510 2.282 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.584 3.453 -8.354 1.00 0.00 H new ATOM 1656 N ARG A 540 100.872 5.521 -10.003 1.00 0.00 N ATOM 1657 CA ARG A 540 101.366 6.891 -9.940 1.00 0.00 C ATOM 1658 C ARG A 540 101.417 7.510 -11.333 1.00 0.00 C ATOM 1659 O ARG A 540 101.055 8.672 -11.522 1.00 0.00 O ATOM 1660 CB ARG A 540 102.754 6.928 -9.297 1.00 0.00 C ATOM 1661 CG ARG A 540 102.743 7.402 -7.852 1.00 0.00 C ATOM 1662 CD ARG A 540 101.966 6.449 -6.956 1.00 0.00 C ATOM 1663 NE ARG A 540 102.493 6.424 -5.594 1.00 0.00 N ATOM 1664 CZ ARG A 540 102.168 5.500 -4.694 1.00 0.00 C ATOM 1665 NH1 ARG A 540 101.324 4.529 -5.013 1.00 0.00 N ATOM 1666 NH2 ARG A 540 102.687 5.547 -3.475 1.00 0.00 N ATOM 0 H ARG A 540 101.541 4.816 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 540 100.678 7.474 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.192 5.931 -9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.399 7.585 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 540 103.767 7.490 -7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 540 102.300 8.396 -7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 540 100.918 6.747 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.003 5.444 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 540 103.147 7.156 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 540 100.923 4.489 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 540 101.076 3.821 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 540 103.337 6.293 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 540 102.436 4.838 -2.786 1.00 0.00 H new ATOM 1680 N GLN A 541 101.865 6.723 -12.306 1.00 0.00 N ATOM 1681 CA GLN A 541 101.962 7.188 -13.686 1.00 0.00 C ATOM 1682 C GLN A 541 100.584 7.535 -14.243 1.00 0.00 C ATOM 1683 O GLN A 541 100.415 8.544 -14.926 1.00 0.00 O ATOM 1684 CB GLN A 541 102.622 6.122 -14.561 1.00 0.00 C ATOM 1685 CG GLN A 541 104.019 5.736 -14.104 1.00 0.00 C ATOM 1686 CD GLN A 541 104.440 4.371 -14.613 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.137 3.998 -15.746 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.139 3.617 -13.774 1.00 0.00 N ATOM 0 H GLN A 541 102.167 5.759 -12.164 1.00 0.00 H new ATOM 0 HA GLN A 541 102.576 8.089 -13.695 1.00 0.00 H new ATOM 0 HB2 GLN A 541 101.993 5.232 -14.570 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.673 6.487 -15.587 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.731 6.485 -14.451 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.056 5.741 -13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.368 3.967 -12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 541 105.448 2.688 -14.060 1.00 0.00 H new ATOM 1697 N ALA A 542 99.605 6.685 -13.949 1.00 0.00 N ATOM 1698 CA ALA A 542 98.242 6.894 -14.422 1.00 0.00 C ATOM 1699 C ALA A 542 97.654 8.181 -13.852 1.00 0.00 C ATOM 1700 O ALA A 542 96.910 8.888 -14.532 1.00 0.00 O ATOM 1701 CB ALA A 542 97.360 5.709 -14.065 1.00 0.00 C ATOM 0 H ALA A 542 99.731 5.845 -13.385 1.00 0.00 H new ATOM 0 HA ALA A 542 98.278 6.986 -15.507 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.348 5.887 -14.428 1.00 0.00 H new ATOM 0 HB2 ALA A 542 97.758 4.806 -14.528 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.341 5.583 -12.982 1.00 0.00 H new ATOM 1707 N LYS A 543 97.989 8.477 -12.601 1.00 0.00 N ATOM 1708 CA LYS A 543 97.489 9.678 -11.940 1.00 0.00 C ATOM 1709 C LYS A 543 97.964 10.939 -12.661 1.00 0.00 C ATOM 1710 O LYS A 543 97.255 11.944 -12.708 1.00 0.00 O ATOM 1711 CB LYS A 543 97.939 9.700 -10.472 1.00 0.00 C ATOM 1712 CG LYS A 543 99.208 10.504 -10.223 1.00 0.00 C ATOM 1713 CD LYS A 543 99.946 10.018 -8.987 1.00 0.00 C ATOM 1714 CE LYS A 543 101.449 10.182 -9.140 1.00 0.00 C ATOM 1715 NZ LYS A 543 101.792 11.280 -10.085 1.00 0.00 N ATOM 0 H LYS A 543 98.604 7.903 -12.024 1.00 0.00 H new ATOM 0 HA LYS A 543 96.400 9.659 -11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 543 97.135 10.113 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 543 98.099 8.675 -10.137 1.00 0.00 H new ATOM 0 HG2 LYS A 543 99.863 10.429 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 543 98.954 11.558 -10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 543 99.604 10.575 -8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 543 99.709 8.969 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 543 101.893 10.389 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 543 101.882 9.247 -9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 102.776 11.578 -9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 101.684 10.943 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 101.156 12.087 -9.925 1.00 0.00 H new ATOM 1729 N LEU A 544 99.171 10.879 -13.217 1.00 0.00 N ATOM 1730 CA LEU A 544 99.742 12.018 -13.929 1.00 0.00 C ATOM 1731 C LEU A 544 98.793 12.525 -15.011 1.00 0.00 C ATOM 1732 O LEU A 544 98.708 13.728 -15.259 1.00 0.00 O ATOM 1733 CB LEU A 544 101.086 11.637 -14.552 1.00 0.00 C ATOM 1734 CG LEU A 544 102.160 12.725 -14.482 1.00 0.00 C ATOM 1735 CD1 LEU A 544 103.487 12.137 -14.029 1.00 0.00 C ATOM 1736 CD2 LEU A 544 102.311 13.410 -15.833 1.00 0.00 C ATOM 0 H LEU A 544 99.772 10.055 -13.188 1.00 0.00 H new ATOM 0 HA LEU A 544 99.897 12.819 -13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.461 10.744 -14.053 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.924 11.374 -15.597 1.00 0.00 H new ATOM 0 HG LEU A 544 101.849 13.471 -13.750 1.00 0.00 H new ATOM 0 HD11 LEU A 544 104.238 12.925 -13.985 1.00 0.00 H new ATOM 0 HD12 LEU A 544 103.370 11.692 -13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 544 103.806 11.371 -14.736 1.00 0.00 H new ATOM 0 HD21 LEU A 544 103.079 14.181 -15.766 1.00 0.00 H new ATOM 0 HD22 LEU A 544 102.600 12.674 -16.584 1.00 0.00 H new ATOM 0 HD23 LEU A 544 101.363 13.866 -16.118 1.00 0.00 H new ATOM 1748 N ASN A 545 98.081 11.604 -15.651 1.00 0.00 N ATOM 1749 CA ASN A 545 97.141 11.967 -16.705 1.00 0.00 C ATOM 1750 C ASN A 545 96.481 10.728 -17.301 1.00 0.00 C ATOM 1751 O ASN A 545 96.936 10.198 -18.315 1.00 0.00 O ATOM 1752 CB ASN A 545 97.855 12.756 -17.804 1.00 0.00 C ATOM 1753 CG ASN A 545 97.240 14.125 -18.027 1.00 0.00 C ATOM 1754 OD1 ASN A 545 96.562 14.359 -19.027 1.00 0.00 O ATOM 1755 ND2 ASN A 545 97.476 15.038 -17.091 1.00 0.00 N ATOM 0 H ASN A 545 98.136 10.604 -15.459 1.00 0.00 H new ATOM 0 HA ASN A 545 96.365 12.591 -16.263 1.00 0.00 H new ATOM 0 HB2 ASN A 545 98.906 12.872 -17.540 1.00 0.00 H new ATOM 0 HB3 ASN A 545 97.821 12.190 -18.735 1.00 0.00 H new ATOM 0 HD21 ASN A 545 97.089 15.977 -17.185 1.00 0.00 H new ATOM 0 HD22 ASN A 545 98.044 14.800 -16.278 1.00 0.00 H new ATOM 1762 N GLN A 546 95.404 10.273 -16.668 1.00 0.00 N ATOM 1763 CA GLN A 546 94.680 9.099 -17.141 1.00 0.00 C ATOM 1764 C GLN A 546 93.871 9.435 -18.390 1.00 0.00 C ATOM 1765 O GLN A 546 92.902 10.193 -18.329 1.00 0.00 O ATOM 1766 CB GLN A 546 93.752 8.569 -16.046 1.00 0.00 C ATOM 1767 CG GLN A 546 92.457 9.354 -15.913 1.00 0.00 C ATOM 1768 CD GLN A 546 91.892 9.314 -14.507 1.00 0.00 C ATOM 1769 OE1 GLN A 546 92.191 8.245 -13.779 1.00 0.00 O flip ATOM 1770 NE2 GLN A 546 91.193 10.234 -14.081 1.00 0.00 N flip ATOM 0 H GLN A 546 95.014 10.699 -15.827 1.00 0.00 H new ATOM 0 HA GLN A 546 95.408 8.327 -17.393 1.00 0.00 H new ATOM 0 HB2 GLN A 546 93.515 7.526 -16.256 1.00 0.00 H new ATOM 0 HB3 GLN A 546 94.280 8.590 -15.092 1.00 0.00 H new ATOM 0 HG2 GLN A 546 92.634 10.391 -16.200 1.00 0.00 H new ATOM 0 HG3 GLN A 546 91.720 8.952 -16.608 1.00 0.00 H new ATOM 0 HE21 GLN A 546 90.989 11.037 -14.676 1.00 0.00 H new ATOM 0 HE22 GLN A 546 90.818 10.193 -13.133 1.00 0.00 H new ATOM 1779 N PRO A 547 94.261 8.873 -19.543 1.00 0.00 N ATOM 1780 CA PRO A 547 93.573 9.112 -20.812 1.00 0.00 C ATOM 1781 C PRO A 547 92.059 8.998 -20.682 1.00 0.00 C ATOM 1782 O PRO A 547 91.535 7.959 -20.283 1.00 0.00 O ATOM 1783 CB PRO A 547 94.120 8.011 -21.719 1.00 0.00 C ATOM 1784 CG PRO A 547 95.482 7.732 -21.186 1.00 0.00 C ATOM 1785 CD PRO A 547 95.404 7.957 -19.698 1.00 0.00 C ATOM 0 HA PRO A 547 93.747 10.120 -21.189 1.00 0.00 H new ATOM 0 HB2 PRO A 547 93.491 7.121 -21.687 1.00 0.00 H new ATOM 0 HB3 PRO A 547 94.159 8.336 -22.759 1.00 0.00 H new ATOM 0 HG2 PRO A 547 95.786 6.709 -21.410 1.00 0.00 H new ATOM 0 HG3 PRO A 547 96.221 8.391 -21.641 1.00 0.00 H new ATOM 0 HD2 PRO A 547 95.244 7.023 -19.160 1.00 0.00 H new ATOM 0 HD3 PRO A 547 96.324 8.395 -19.310 1.00 0.00 H new ATOM 1793 N ARG A 548 91.363 10.074 -21.025 1.00 0.00 N ATOM 1794 CA ARG A 548 89.905 10.099 -20.951 1.00 0.00 C ATOM 1795 C ARG A 548 89.288 9.715 -22.292 1.00 0.00 C ATOM 1796 O ARG A 548 89.813 10.062 -23.350 1.00 0.00 O ATOM 1797 CB ARG A 548 89.403 11.482 -20.525 1.00 0.00 C ATOM 1798 CG ARG A 548 90.481 12.553 -20.514 1.00 0.00 C ATOM 1799 CD ARG A 548 89.914 13.908 -20.117 1.00 0.00 C ATOM 1800 NE ARG A 548 88.934 14.396 -21.085 1.00 0.00 N ATOM 1801 CZ ARG A 548 89.259 14.899 -22.271 1.00 0.00 C ATOM 1802 NH1 ARG A 548 90.531 14.974 -22.637 1.00 0.00 N ATOM 1803 NH2 ARG A 548 88.311 15.332 -23.092 1.00 0.00 N ATOM 0 H ARG A 548 91.783 10.942 -21.357 1.00 0.00 H new ATOM 0 HA ARG A 548 89.599 9.370 -20.201 1.00 0.00 H new ATOM 0 HB2 ARG A 548 88.605 11.791 -21.199 1.00 0.00 H new ATOM 0 HB3 ARG A 548 88.968 11.408 -19.528 1.00 0.00 H new ATOM 0 HG2 ARG A 548 91.271 12.269 -19.818 1.00 0.00 H new ATOM 0 HG3 ARG A 548 90.937 12.623 -21.502 1.00 0.00 H new ATOM 0 HD2 ARG A 548 89.447 13.832 -19.135 1.00 0.00 H new ATOM 0 HD3 ARG A 548 90.726 14.629 -20.029 1.00 0.00 H new ATOM 0 HE ARG A 548 87.946 14.348 -20.836 1.00 0.00 H new ATOM 0 HH11 ARG A 548 91.263 14.645 -22.007 1.00 0.00 H new ATOM 0 HH12 ARG A 548 90.778 15.361 -23.548 1.00 0.00 H new ATOM 0 HH21 ARG A 548 87.331 15.279 -22.813 1.00 0.00 H new ATOM 0 HH22 ARG A 548 88.562 15.718 -24.002 1.00 0.00 H new ATOM 1817 N GLU A 549 88.170 8.999 -22.237 1.00 0.00 N ATOM 1818 CA GLU A 549 87.475 8.565 -23.444 1.00 0.00 C ATOM 1819 C GLU A 549 86.521 7.420 -23.133 1.00 0.00 C ATOM 1820 O GLU A 549 86.676 6.727 -22.126 1.00 0.00 O ATOM 1821 CB GLU A 549 88.480 8.129 -24.512 1.00 0.00 C ATOM 1822 CG GLU A 549 89.582 7.229 -23.981 1.00 0.00 C ATOM 1823 CD GLU A 549 89.214 5.759 -24.041 1.00 0.00 C ATOM 1824 OE1 GLU A 549 90.090 4.940 -24.388 1.00 0.00 O ATOM 1825 OE2 GLU A 549 88.049 5.426 -23.737 1.00 0.00 O ATOM 0 H GLU A 549 87.725 8.706 -21.367 1.00 0.00 H new ATOM 0 HA GLU A 549 86.898 9.408 -23.824 1.00 0.00 H new ATOM 0 HB2 GLU A 549 87.948 7.607 -25.307 1.00 0.00 H new ATOM 0 HB3 GLU A 549 88.930 9.016 -24.958 1.00 0.00 H new ATOM 0 HG2 GLU A 549 90.492 7.396 -24.558 1.00 0.00 H new ATOM 0 HG3 GLU A 549 89.804 7.502 -22.949 1.00 0.00 H new ATOM 1832 N LYS A 550 85.537 7.222 -24.001 1.00 0.00 N ATOM 1833 CA LYS A 550 84.560 6.156 -23.814 1.00 0.00 C ATOM 1834 C LYS A 550 83.506 6.178 -24.916 1.00 0.00 C ATOM 1835 O LYS A 550 82.821 7.181 -25.115 1.00 0.00 O ATOM 1836 CB LYS A 550 83.887 6.288 -22.447 1.00 0.00 C ATOM 1837 CG LYS A 550 83.621 7.725 -22.035 1.00 0.00 C ATOM 1838 CD LYS A 550 82.159 8.096 -22.214 1.00 0.00 C ATOM 1839 CE LYS A 550 81.558 8.632 -20.924 1.00 0.00 C ATOM 1840 NZ LYS A 550 80.075 8.506 -20.905 1.00 0.00 N ATOM 0 H LYS A 550 85.394 7.784 -24.840 1.00 0.00 H new ATOM 0 HA LYS A 550 85.088 5.204 -23.863 1.00 0.00 H new ATOM 0 HB2 LYS A 550 82.943 5.743 -22.462 1.00 0.00 H new ATOM 0 HB3 LYS A 550 84.517 5.814 -21.694 1.00 0.00 H new ATOM 0 HG2 LYS A 550 83.907 7.864 -20.993 1.00 0.00 H new ATOM 0 HG3 LYS A 550 84.243 8.395 -22.629 1.00 0.00 H new ATOM 0 HD2 LYS A 550 82.066 8.846 -22.999 1.00 0.00 H new ATOM 0 HD3 LYS A 550 81.598 7.221 -22.542 1.00 0.00 H new ATOM 0 HE2 LYS A 550 81.979 8.091 -20.076 1.00 0.00 H new ATOM 0 HE3 LYS A 550 81.834 9.679 -20.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 79.706 8.883 -20.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 79.671 9.043 -21.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 79.811 7.504 -20.994 1.00 0.00 H new ATOM 1854 N LYS A 551 83.379 5.062 -25.624 1.00 0.00 N ATOM 1855 CA LYS A 551 82.405 4.947 -26.701 1.00 0.00 C ATOM 1856 C LYS A 551 81.370 3.877 -26.371 1.00 0.00 C ATOM 1857 O LYS A 551 81.307 3.390 -25.242 1.00 0.00 O ATOM 1858 CB LYS A 551 83.108 4.616 -28.019 1.00 0.00 C ATOM 1859 CG LYS A 551 84.061 5.704 -28.489 1.00 0.00 C ATOM 1860 CD LYS A 551 83.323 6.824 -29.204 1.00 0.00 C ATOM 1861 CE LYS A 551 84.269 7.666 -30.046 1.00 0.00 C ATOM 1862 NZ LYS A 551 84.794 6.909 -31.216 1.00 0.00 N ATOM 0 H LYS A 551 83.939 4.223 -25.471 1.00 0.00 H new ATOM 0 HA LYS A 551 81.893 5.903 -26.809 1.00 0.00 H new ATOM 0 HB2 LYS A 551 83.662 3.685 -27.902 1.00 0.00 H new ATOM 0 HB3 LYS A 551 82.356 4.445 -28.790 1.00 0.00 H new ATOM 0 HG2 LYS A 551 84.600 6.111 -27.633 1.00 0.00 H new ATOM 0 HG3 LYS A 551 84.805 5.272 -29.158 1.00 0.00 H new ATOM 0 HD2 LYS A 551 82.546 6.401 -29.841 1.00 0.00 H new ATOM 0 HD3 LYS A 551 82.824 7.458 -28.471 1.00 0.00 H new ATOM 0 HE2 LYS A 551 83.748 8.558 -30.395 1.00 0.00 H new ATOM 0 HE3 LYS A 551 85.102 8.004 -29.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 85.145 7.576 -31.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 85.572 6.291 -30.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 84.033 6.330 -31.625 1.00 0.00 H new ATOM 1876 N ARG A 552 80.557 3.514 -27.358 1.00 0.00 N ATOM 1877 CA ARG A 552 79.526 2.502 -27.160 1.00 0.00 C ATOM 1878 C ARG A 552 79.865 1.217 -27.909 1.00 0.00 C ATOM 1879 O ARG A 552 79.422 1.009 -29.039 1.00 0.00 O ATOM 1880 CB ARG A 552 78.166 3.032 -27.622 1.00 0.00 C ATOM 1881 CG ARG A 552 78.059 4.547 -27.588 1.00 0.00 C ATOM 1882 CD ARG A 552 78.628 5.174 -28.851 1.00 0.00 C ATOM 1883 NE ARG A 552 79.438 6.353 -28.560 1.00 0.00 N ATOM 1884 CZ ARG A 552 78.928 7.525 -28.198 1.00 0.00 C ATOM 1885 NH1 ARG A 552 77.616 7.671 -28.077 1.00 0.00 N ATOM 1886 NH2 ARG A 552 79.731 8.552 -27.954 1.00 0.00 N ATOM 0 H ARG A 552 80.592 3.904 -28.300 1.00 0.00 H new ATOM 0 HA ARG A 552 79.479 2.275 -26.095 1.00 0.00 H new ATOM 0 HB2 ARG A 552 77.977 2.686 -28.638 1.00 0.00 H new ATOM 0 HB3 ARG A 552 77.386 2.607 -26.990 1.00 0.00 H new ATOM 0 HG2 ARG A 552 77.014 4.837 -27.476 1.00 0.00 H new ATOM 0 HG3 ARG A 552 78.592 4.931 -26.718 1.00 0.00 H new ATOM 0 HD2 ARG A 552 79.235 4.439 -29.379 1.00 0.00 H new ATOM 0 HD3 ARG A 552 77.811 5.451 -29.518 1.00 0.00 H new ATOM 0 HE ARG A 552 80.452 6.272 -28.639 1.00 0.00 H new ATOM 0 HH11 ARG A 552 76.996 6.883 -28.262 1.00 0.00 H new ATOM 0 HH12 ARG A 552 77.227 8.572 -27.799 1.00 0.00 H new ATOM 0 HH21 ARG A 552 80.741 8.442 -28.044 1.00 0.00 H new ATOM 0 HH22 ARG A 552 79.338 9.452 -27.676 1.00 0.00 H new ATOM 1900 N GLY A 553 80.649 0.355 -27.269 1.00 0.00 N ATOM 1901 CA GLY A 553 81.030 -0.902 -27.888 1.00 0.00 C ATOM 1902 C GLY A 553 79.873 -1.879 -27.956 1.00 0.00 C ATOM 1903 O GLY A 553 79.070 -1.837 -28.888 1.00 0.00 O ATOM 0 H GLY A 553 81.027 0.504 -26.333 1.00 0.00 H new ATOM 0 HA2 GLY A 553 81.402 -0.711 -28.895 1.00 0.00 H new ATOM 0 HA3 GLY A 553 81.849 -1.349 -27.325 1.00 0.00 H new ATOM 1907 N THR A 554 79.780 -2.756 -26.961 1.00 0.00 N ATOM 1908 CA THR A 554 78.705 -3.740 -26.910 1.00 0.00 C ATOM 1909 C THR A 554 77.428 -3.111 -26.363 1.00 0.00 C ATOM 1910 O THR A 554 76.322 -3.544 -26.685 1.00 0.00 O ATOM 1911 CB THR A 554 79.084 -4.948 -26.034 1.00 0.00 C ATOM 1912 OG1 THR A 554 79.513 -4.536 -24.730 1.00 0.00 O ATOM 1913 CG2 THR A 554 80.202 -5.757 -26.674 1.00 0.00 C ATOM 0 H THR A 554 80.435 -2.805 -26.181 1.00 0.00 H new ATOM 0 HA THR A 554 78.538 -4.086 -27.930 1.00 0.00 H new ATOM 0 HB THR A 554 78.188 -5.562 -25.943 1.00 0.00 H new ATOM 0 HG1 THR A 554 79.745 -5.325 -24.197 1.00 0.00 H new ATOM 0 HG21 THR A 554 80.450 -6.604 -26.035 1.00 0.00 H new ATOM 0 HG22 THR A 554 79.876 -6.121 -27.648 1.00 0.00 H new ATOM 0 HG23 THR A 554 81.082 -5.126 -26.798 1.00 0.00 H new ATOM 1921 N GLU A 555 77.595 -2.084 -25.536 1.00 0.00 N ATOM 1922 CA GLU A 555 76.462 -1.387 -24.940 1.00 0.00 C ATOM 1923 C GLU A 555 75.860 -2.198 -23.799 1.00 0.00 C ATOM 1924 O GLU A 555 75.615 -3.397 -23.938 1.00 0.00 O ATOM 1925 CB GLU A 555 75.393 -1.102 -25.995 1.00 0.00 C ATOM 1926 CG GLU A 555 74.447 0.024 -25.612 1.00 0.00 C ATOM 1927 CD GLU A 555 73.089 -0.482 -25.165 1.00 0.00 C ATOM 1928 OE1 GLU A 555 72.931 -0.773 -23.960 1.00 0.00 O ATOM 1929 OE2 GLU A 555 72.184 -0.586 -26.019 1.00 0.00 O ATOM 0 H GLU A 555 78.506 -1.716 -25.263 1.00 0.00 H new ATOM 0 HA GLU A 555 76.826 -0.441 -24.538 1.00 0.00 H new ATOM 0 HB2 GLU A 555 75.881 -0.851 -26.937 1.00 0.00 H new ATOM 0 HB3 GLU A 555 74.814 -2.009 -26.168 1.00 0.00 H new ATOM 0 HG2 GLU A 555 74.894 0.612 -24.810 1.00 0.00 H new ATOM 0 HG3 GLU A 555 74.319 0.692 -26.464 1.00 0.00 H new ATOM 1936 N LYS A 556 75.620 -1.537 -22.671 1.00 0.00 N ATOM 1937 CA LYS A 556 75.043 -2.197 -21.507 1.00 0.00 C ATOM 1938 C LYS A 556 73.605 -2.620 -21.785 1.00 0.00 C ATOM 1939 O LYS A 556 72.669 -2.130 -21.154 1.00 0.00 O ATOM 1940 CB LYS A 556 75.084 -1.268 -20.294 1.00 0.00 C ATOM 1941 CG LYS A 556 74.233 -0.019 -20.457 1.00 0.00 C ATOM 1942 CD LYS A 556 75.092 1.214 -20.681 1.00 0.00 C ATOM 1943 CE LYS A 556 74.636 2.377 -19.815 1.00 0.00 C ATOM 1944 NZ LYS A 556 74.713 3.674 -20.541 1.00 0.00 N ATOM 0 H LYS A 556 75.816 -0.545 -22.539 1.00 0.00 H new ATOM 0 HA LYS A 556 75.635 -3.087 -21.294 1.00 0.00 H new ATOM 0 HB2 LYS A 556 74.745 -1.816 -19.415 1.00 0.00 H new ATOM 0 HB3 LYS A 556 76.116 -0.973 -20.107 1.00 0.00 H new ATOM 0 HG2 LYS A 556 73.553 -0.148 -21.299 1.00 0.00 H new ATOM 0 HG3 LYS A 556 73.617 0.122 -19.569 1.00 0.00 H new ATOM 0 HD2 LYS A 556 76.133 0.979 -20.457 1.00 0.00 H new ATOM 0 HD3 LYS A 556 75.049 1.503 -21.731 1.00 0.00 H new ATOM 0 HE2 LYS A 556 73.611 2.205 -19.487 1.00 0.00 H new ATOM 0 HE3 LYS A 556 75.254 2.426 -18.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 74.394 4.441 -19.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 75.696 3.851 -20.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 74.104 3.637 -21.383 1.00 0.00 H new ATOM 1958 N LEU A 557 73.436 -3.531 -22.737 1.00 0.00 N ATOM 1959 CA LEU A 557 72.110 -4.017 -23.100 1.00 0.00 C ATOM 1960 C LEU A 557 71.626 -5.069 -22.108 1.00 0.00 C ATOM 1961 O LEU A 557 71.430 -6.231 -22.464 1.00 0.00 O ATOM 1962 CB LEU A 557 72.128 -4.599 -24.516 1.00 0.00 C ATOM 1963 CG LEU A 557 70.792 -4.551 -25.266 1.00 0.00 C ATOM 1964 CD1 LEU A 557 69.977 -5.803 -24.986 1.00 0.00 C ATOM 1965 CD2 LEU A 557 70.005 -3.305 -24.887 1.00 0.00 C ATOM 0 H LEU A 557 74.199 -3.947 -23.270 1.00 0.00 H new ATOM 0 HA LEU A 557 71.419 -3.174 -23.071 1.00 0.00 H new ATOM 0 HB2 LEU A 557 72.873 -4.061 -25.102 1.00 0.00 H new ATOM 0 HB3 LEU A 557 72.456 -5.637 -24.459 1.00 0.00 H new ATOM 0 HG LEU A 557 71.003 -4.509 -26.335 1.00 0.00 H new ATOM 0 HD11 LEU A 557 69.032 -5.751 -25.527 1.00 0.00 H new ATOM 0 HD12 LEU A 557 70.534 -6.681 -25.313 1.00 0.00 H new ATOM 0 HD13 LEU A 557 69.779 -5.877 -23.917 1.00 0.00 H new ATOM 0 HD21 LEU A 557 69.061 -3.292 -25.431 1.00 0.00 H new ATOM 0 HD22 LEU A 557 69.806 -3.312 -23.815 1.00 0.00 H new ATOM 0 HD23 LEU A 557 70.584 -2.417 -25.143 1.00 0.00 H new ATOM 1977 N ILE A 558 71.431 -4.652 -20.860 1.00 0.00 N ATOM 1978 CA ILE A 558 70.966 -5.558 -19.816 1.00 0.00 C ATOM 1979 C ILE A 558 71.605 -6.935 -19.958 1.00 0.00 C ATOM 1980 O ILE A 558 70.912 -7.953 -19.983 1.00 0.00 O ATOM 1981 CB ILE A 558 69.432 -5.710 -19.847 1.00 0.00 C ATOM 1982 CG1 ILE A 558 68.880 -5.297 -21.212 1.00 0.00 C ATOM 1983 CG2 ILE A 558 68.795 -4.882 -18.739 1.00 0.00 C ATOM 1984 CD1 ILE A 558 67.382 -5.466 -21.337 1.00 0.00 C ATOM 0 H ILE A 558 71.588 -3.694 -20.548 1.00 0.00 H new ATOM 0 HA ILE A 558 71.262 -5.120 -18.862 1.00 0.00 H new ATOM 0 HB ILE A 558 69.184 -6.758 -19.680 1.00 0.00 H new ATOM 0 HG12 ILE A 558 69.136 -4.254 -21.397 1.00 0.00 H new ATOM 0 HG13 ILE A 558 69.370 -5.888 -21.986 1.00 0.00 H new ATOM 0 HG21 ILE A 558 67.712 -5.000 -18.774 1.00 0.00 H new ATOM 0 HG22 ILE A 558 69.166 -5.222 -17.772 1.00 0.00 H new ATOM 0 HG23 ILE A 558 69.051 -3.831 -18.877 1.00 0.00 H new ATOM 0 HD11 ILE A 558 67.062 -5.153 -22.331 1.00 0.00 H new ATOM 0 HD12 ILE A 558 67.120 -6.513 -21.184 1.00 0.00 H new ATOM 0 HD13 ILE A 558 66.883 -4.854 -20.586 1.00 0.00 H new ATOM 1996 N THR A 559 72.931 -6.960 -20.050 1.00 0.00 N ATOM 1997 CA THR A 559 73.669 -8.212 -20.187 1.00 0.00 C ATOM 1998 C THR A 559 73.916 -8.857 -18.827 1.00 0.00 C ATOM 1999 O THR A 559 74.631 -8.308 -17.989 1.00 0.00 O ATOM 2000 CB THR A 559 75.022 -7.993 -20.891 1.00 0.00 C ATOM 2001 OG1 THR A 559 75.520 -6.668 -20.663 1.00 0.00 O ATOM 2002 CG2 THR A 559 74.896 -8.208 -22.390 1.00 0.00 C ATOM 0 H THR A 559 73.518 -6.126 -20.032 1.00 0.00 H new ATOM 0 HA THR A 559 73.054 -8.876 -20.795 1.00 0.00 H new ATOM 0 HB THR A 559 75.718 -8.719 -20.471 1.00 0.00 H new ATOM 0 HG1 THR A 559 76.380 -6.559 -21.120 1.00 0.00 H new ATOM 0 HG21 THR A 559 75.865 -8.047 -22.863 1.00 0.00 H new ATOM 0 HG22 THR A 559 74.562 -9.227 -22.585 1.00 0.00 H new ATOM 0 HG23 THR A 559 74.171 -7.504 -22.799 1.00 0.00 H new ATOM 2010 N LYS A 560 73.317 -10.026 -18.613 1.00 0.00 N ATOM 2011 CA LYS A 560 73.469 -10.743 -17.353 1.00 0.00 C ATOM 2012 C LYS A 560 73.859 -12.199 -17.590 1.00 0.00 C ATOM 2013 O LYS A 560 73.003 -13.053 -17.818 1.00 0.00 O ATOM 2014 CB LYS A 560 72.169 -10.679 -16.549 1.00 0.00 C ATOM 2015 CG LYS A 560 72.384 -10.495 -15.057 1.00 0.00 C ATOM 2016 CD LYS A 560 71.061 -10.377 -14.317 1.00 0.00 C ATOM 2017 CE LYS A 560 70.888 -8.996 -13.708 1.00 0.00 C ATOM 2018 NZ LYS A 560 72.078 -8.587 -12.912 1.00 0.00 N ATOM 0 H LYS A 560 72.723 -10.495 -19.296 1.00 0.00 H new ATOM 0 HA LYS A 560 74.268 -10.262 -16.788 1.00 0.00 H new ATOM 0 HB2 LYS A 560 71.560 -9.856 -16.924 1.00 0.00 H new ATOM 0 HB3 LYS A 560 71.603 -11.596 -16.716 1.00 0.00 H new ATOM 0 HG2 LYS A 560 72.949 -11.339 -14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 560 72.982 -9.601 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 560 70.239 -10.579 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 560 71.013 -11.131 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 560 70.714 -8.269 -14.501 1.00 0.00 H new ATOM 0 HE3 LYS A 560 70.004 -8.989 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 71.776 -7.982 -12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 72.553 -9.433 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 72.737 -8.059 -13.519 1.00 0.00 H new ATOM 2032 N ALA A 561 75.158 -12.476 -17.532 1.00 0.00 N ATOM 2033 CA ALA A 561 75.660 -13.828 -17.739 1.00 0.00 C ATOM 2034 C ALA A 561 75.743 -14.159 -19.225 1.00 0.00 C ATOM 2035 O ALA A 561 74.739 -13.939 -19.934 1.00 0.00 O ATOM 2036 CB ALA A 561 74.789 -14.847 -17.022 1.00 0.00 C ATOM 2037 OXT ALA A 561 76.810 -14.635 -19.666 1.00 0.00 O ATOM 0 H ALA A 561 75.881 -11.782 -17.343 1.00 0.00 H new ATOM 0 HA ALA A 561 76.665 -13.875 -17.319 1.00 0.00 H new ATOM 0 HB1 ALA A 561 75.185 -15.848 -17.192 1.00 0.00 H new ATOM 0 HB2 ALA A 561 74.786 -14.635 -15.953 1.00 0.00 H new ATOM 0 HB3 ALA A 561 73.771 -14.790 -17.406 1.00 0.00 H new TER 2043 ALA A 561