USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1049 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 629 THR OG1 : rot 180:sc=0.000662 USER MOD Set 1.2: A 630 ASN : amide:sc= -0.902! X(o=-0.9!,f=-0.81) USER MOD Set 2.1: A 571 TYR OH : rot -128:sc= 1.22 USER MOD Set 2.2: A 609 ASN : amide:sc= -9.54! C(o=-8.3!,f=-9!) USER MOD Set 3.1: A 567 ASN : amide:sc= 1.19 K(o=-2.1,f=-3.7) USER MOD Set 3.2: A 593 GLN :FLIP amide:sc= -3.25! C(o=-4.1!,f=-2.1!) USER MOD Set 4.1: A 506 MET CE :methyl 143:sc= -0.433 (180deg=-2.56!) USER MOD Set 4.2: A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 504 THR OG1 : rot 130:sc= 0 USER MOD Single : A 510 LYS NZ :NH3+ -142:sc= 1.22 (180deg=-0.239) USER MOD Single : A 513 ASN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 516 SER OG : rot 18:sc= -0.104 USER MOD Single : A 517 MET CE :methyl -149:sc= -0.546 (180deg=-2.37!) USER MOD Single : A 523 GLN : amide:sc= 0.225 X(o=0.23,f=-0.021) USER MOD Single : A 524 SER OG : rot 74:sc= 1.21 USER MOD Single : A 530 THR OG1 : rot -160:sc= 0 USER MOD Single : A 532 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.17) USER MOD Single : A 537 TYR OH : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 85:sc= 1.93 USER MOD Single : A 543 THR OG1 : rot 142:sc= 1.23 USER MOD Single : A 544 ASN :FLIP amide:sc= -0.034 F(o=-1.7,f=-0.034) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0274) USER MOD Single : A 570 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.113) USER MOD Single : A 572 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-9.4!) USER MOD Single : A 580 SER OG : rot -6:sc= -0.817 USER MOD Single : A 590 LYS NZ :NH3+ 154:sc= 1.22 (180deg=1.11) USER MOD Single : A 591 SER OG : rot -61:sc= 0.0417 USER MOD Single : A 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 SER OG : rot 180:sc= -1.32 USER MOD Single : A 602 LYS NZ :NH3+ 158:sc= -0.113 (180deg=-0.516) USER MOD Single : A 603 ASN :FLIP amide:sc= -0.31 F(o=-1.3,f=-0.31) USER MOD Single : A 604 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.88) USER MOD Single : A 607 SER OG : rot -150:sc= 0 USER MOD Single : A 610 LYS NZ :NH3+ -125:sc= 1.25 (180deg=0.282) USER MOD Single : A 619 MET CE :methyl 139:sc= -0.326 (180deg=-1.62!) USER MOD Single : A 621 THR OG1 : rot 109:sc= 1.38 USER MOD Single : A 622 ASN : amide:sc= -3.1! C(o=-3.1!,f=-17!) USER MOD Single : A 626 HIS : no HD1:sc= -0.0145 K(o=-0.014,f=-6.1!) USER MOD Single : A 633 GLN :FLIP amide:sc= -0.0442 F(o=-1.5!,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 500 2.392 -13.145 12.908 1.00 0.00 N ATOM 2 CA ALA A 500 3.714 -13.073 12.245 1.00 0.00 C ATOM 3 C ALA A 500 3.559 -13.363 10.758 1.00 0.00 C ATOM 4 O ALA A 500 2.449 -13.285 10.231 1.00 0.00 O ATOM 5 CB ALA A 500 4.683 -14.057 12.897 1.00 0.00 C ATOM 0 HA ALA A 500 4.123 -12.069 12.361 1.00 0.00 H new ATOM 0 HB1 ALA A 500 5.652 -13.996 12.402 1.00 0.00 H new ATOM 0 HB2 ALA A 500 4.798 -13.809 13.952 1.00 0.00 H new ATOM 0 HB3 ALA A 500 4.291 -15.070 12.803 1.00 0.00 H new ATOM 13 N GLY A 501 4.665 -13.665 10.084 1.00 0.00 N ATOM 14 CA GLY A 501 4.622 -13.987 8.667 1.00 0.00 C ATOM 15 C GLY A 501 3.662 -15.119 8.356 1.00 0.00 C ATOM 16 O GLY A 501 3.959 -16.284 8.632 1.00 0.00 O ATOM 0 H GLY A 501 5.597 -13.693 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 501 4.327 -13.101 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 501 5.622 -14.260 8.330 1.00 0.00 H new ATOM 20 N MET A 502 2.512 -14.774 7.795 1.00 0.00 N ATOM 21 CA MET A 502 1.474 -15.750 7.498 1.00 0.00 C ATOM 22 C MET A 502 0.615 -15.271 6.330 1.00 0.00 C ATOM 23 O MET A 502 0.406 -14.068 6.162 1.00 0.00 O ATOM 24 CB MET A 502 0.600 -15.985 8.736 1.00 0.00 C ATOM 25 CG MET A 502 -0.583 -16.910 8.487 1.00 0.00 C ATOM 26 SD MET A 502 -1.549 -17.235 9.974 1.00 0.00 S ATOM 27 CE MET A 502 -2.943 -18.116 9.274 1.00 0.00 C ATOM 0 H MET A 502 2.273 -13.817 7.535 1.00 0.00 H new ATOM 0 HA MET A 502 1.949 -16.691 7.219 1.00 0.00 H new ATOM 0 HB2 MET A 502 1.217 -16.405 9.530 1.00 0.00 H new ATOM 0 HB3 MET A 502 0.229 -15.025 9.095 1.00 0.00 H new ATOM 0 HG2 MET A 502 -1.230 -16.467 7.730 1.00 0.00 H new ATOM 0 HG3 MET A 502 -0.220 -17.855 8.083 1.00 0.00 H new ATOM 0 HE1 MET A 502 -3.637 -18.389 10.069 1.00 0.00 H new ATOM 0 HE2 MET A 502 -3.452 -17.477 8.552 1.00 0.00 H new ATOM 0 HE3 MET A 502 -2.590 -19.018 8.775 1.00 0.00 H new ATOM 37 N GLY A 503 0.148 -16.210 5.515 1.00 0.00 N ATOM 38 CA GLY A 503 -0.729 -15.865 4.416 1.00 0.00 C ATOM 39 C GLY A 503 0.017 -15.180 3.304 1.00 0.00 C ATOM 40 O GLY A 503 1.051 -15.657 2.851 1.00 0.00 O ATOM 0 H GLY A 503 0.362 -17.204 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 503 -1.205 -16.768 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -1.525 -15.213 4.776 1.00 0.00 H new ATOM 44 N THR A 504 -0.540 -14.089 2.834 1.00 0.00 N ATOM 45 CA THR A 504 0.143 -13.198 1.922 1.00 0.00 C ATOM 46 C THR A 504 0.136 -11.801 2.509 1.00 0.00 C ATOM 47 O THR A 504 -0.226 -11.626 3.669 1.00 0.00 O ATOM 48 CB THR A 504 -0.533 -13.173 0.545 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.907 -12.782 0.687 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.452 -14.533 -0.134 1.00 0.00 C ATOM 0 H THR A 504 -1.486 -13.791 3.074 1.00 0.00 H new ATOM 0 HA THR A 504 1.164 -13.556 1.788 1.00 0.00 H new ATOM 0 HB THR A 504 -0.008 -12.450 -0.079 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.109 -12.061 0.055 1.00 0.00 H new ATOM 0 HG21 THR A 504 -0.940 -14.483 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.593 -14.812 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 504 -0.952 -15.279 0.484 1.00 0.00 H new ATOM 58 N VAL A 505 0.549 -10.824 1.713 1.00 0.00 N ATOM 59 CA VAL A 505 0.376 -9.413 2.052 1.00 0.00 C ATOM 60 C VAL A 505 -1.012 -9.164 2.636 1.00 0.00 C ATOM 61 O VAL A 505 -1.155 -8.453 3.624 1.00 0.00 O ATOM 62 CB VAL A 505 0.538 -8.518 0.803 1.00 0.00 C ATOM 63 CG1 VAL A 505 0.118 -7.084 1.097 1.00 0.00 C ATOM 64 CG2 VAL A 505 1.963 -8.556 0.282 1.00 0.00 C ATOM 0 H VAL A 505 1.011 -10.983 0.818 1.00 0.00 H new ATOM 0 HA VAL A 505 1.142 -9.164 2.786 1.00 0.00 H new ATOM 0 HB VAL A 505 -0.119 -8.915 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 505 0.243 -6.477 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -0.928 -7.067 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 505 0.738 -6.680 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 505 2.046 -7.917 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 505 2.643 -8.199 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 505 2.225 -9.579 0.013 1.00 0.00 H new ATOM 74 N MET A 506 -2.021 -9.777 2.024 1.00 0.00 N ATOM 75 CA MET A 506 -3.404 -9.603 2.455 1.00 0.00 C ATOM 76 C MET A 506 -3.571 -10.072 3.899 1.00 0.00 C ATOM 77 O MET A 506 -4.110 -9.346 4.730 1.00 0.00 O ATOM 78 CB MET A 506 -4.343 -10.386 1.529 1.00 0.00 C ATOM 79 CG MET A 506 -5.716 -9.751 1.347 1.00 0.00 C ATOM 80 SD MET A 506 -6.650 -9.619 2.878 1.00 0.00 S ATOM 81 CE MET A 506 -7.916 -8.469 2.367 1.00 0.00 C ATOM 0 H MET A 506 -1.906 -10.401 1.225 1.00 0.00 H new ATOM 0 HA MET A 506 -3.660 -8.545 2.403 1.00 0.00 H new ATOM 0 HB2 MET A 506 -3.870 -10.487 0.552 1.00 0.00 H new ATOM 0 HB3 MET A 506 -4.471 -11.393 1.927 1.00 0.00 H new ATOM 0 HG2 MET A 506 -5.594 -8.757 0.917 1.00 0.00 H new ATOM 0 HG3 MET A 506 -6.288 -10.340 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 506 -8.863 -8.738 2.836 1.00 0.00 H new ATOM 0 HE2 MET A 506 -7.635 -7.460 2.670 1.00 0.00 H new ATOM 0 HE3 MET A 506 -8.025 -8.505 1.283 1.00 0.00 H new ATOM 91 N ASP A 507 -3.074 -11.271 4.210 1.00 0.00 N ATOM 92 CA ASP A 507 -3.235 -11.824 5.550 1.00 0.00 C ATOM 93 C ASP A 507 -2.357 -11.075 6.544 1.00 0.00 C ATOM 94 O ASP A 507 -2.682 -10.983 7.729 1.00 0.00 O ATOM 95 CB ASP A 507 -2.891 -13.309 5.560 1.00 0.00 C ATOM 96 CG ASP A 507 -3.653 -14.064 6.633 1.00 0.00 C ATOM 97 OD1 ASP A 507 -4.906 -14.020 6.624 1.00 0.00 O1- ATOM 98 OD2 ASP A 507 -3.012 -14.710 7.480 1.00 0.00 O ATOM 0 H ASP A 507 -2.564 -11.869 3.560 1.00 0.00 H new ATOM 0 HA ASP A 507 -4.277 -11.706 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -3.117 -13.740 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.820 -13.432 5.722 1.00 0.00 H new ATOM 103 N VAL A 508 -1.245 -10.533 6.046 1.00 0.00 N ATOM 104 CA VAL A 508 -0.401 -9.642 6.845 1.00 0.00 C ATOM 105 C VAL A 508 -1.223 -8.496 7.416 1.00 0.00 C ATOM 106 O VAL A 508 -1.091 -8.136 8.587 1.00 0.00 O ATOM 107 CB VAL A 508 0.780 -9.077 6.021 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.548 -8.029 6.814 1.00 0.00 C ATOM 109 CG2 VAL A 508 1.715 -10.196 5.593 1.00 0.00 C ATOM 0 H VAL A 508 -0.908 -10.694 5.097 1.00 0.00 H new ATOM 0 HA VAL A 508 0.010 -10.235 7.662 1.00 0.00 H new ATOM 0 HB VAL A 508 0.369 -8.601 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.373 -7.649 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 508 0.880 -7.208 7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 508 1.942 -8.479 7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.540 -9.780 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.109 -10.699 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.168 -10.913 4.981 1.00 0.00 H new ATOM 119 N LEU A 509 -2.090 -7.946 6.587 1.00 0.00 N ATOM 120 CA LEU A 509 -2.914 -6.817 6.979 1.00 0.00 C ATOM 121 C LEU A 509 -4.131 -7.300 7.754 1.00 0.00 C ATOM 122 O LEU A 509 -4.611 -6.633 8.670 1.00 0.00 O ATOM 123 CB LEU A 509 -3.334 -6.040 5.731 1.00 0.00 C ATOM 124 CG LEU A 509 -2.263 -5.980 4.640 1.00 0.00 C ATOM 125 CD1 LEU A 509 -2.696 -5.078 3.499 1.00 0.00 C ATOM 126 CD2 LEU A 509 -0.920 -5.550 5.221 1.00 0.00 C ATOM 0 H LEU A 509 -2.243 -8.265 5.630 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.342 -6.155 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.233 -6.497 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.598 -5.023 6.021 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.138 -6.982 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -1.916 -5.054 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -3.618 -5.462 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -2.866 -4.070 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -0.174 -5.515 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -1.018 -4.562 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -0.607 -6.266 5.981 1.00 0.00 H new ATOM 138 N LYS A 510 -4.609 -8.482 7.379 1.00 0.00 N ATOM 139 CA LYS A 510 -5.757 -9.103 8.019 1.00 0.00 C ATOM 140 C LYS A 510 -5.471 -9.325 9.502 1.00 0.00 C ATOM 141 O LYS A 510 -6.333 -9.111 10.354 1.00 0.00 O ATOM 142 CB LYS A 510 -6.063 -10.441 7.319 1.00 0.00 C ATOM 143 CG LYS A 510 -7.484 -10.966 7.507 1.00 0.00 C ATOM 144 CD LYS A 510 -7.734 -11.518 8.907 1.00 0.00 C ATOM 145 CE LYS A 510 -6.797 -12.672 9.255 1.00 0.00 C ATOM 146 NZ LYS A 510 -6.921 -13.818 8.315 1.00 0.00 N1+ ATOM 0 H LYS A 510 -4.209 -9.035 6.621 1.00 0.00 H new ATOM 0 HA LYS A 510 -6.625 -8.449 7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -5.874 -10.325 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -5.364 -11.192 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.192 -10.162 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -7.676 -11.749 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -7.608 -10.719 9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -8.767 -11.858 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -5.768 -12.313 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.010 -13.014 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.836 -14.710 8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -7.847 -13.781 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.166 -13.765 7.601 1.00 0.00 H new ATOM 160 N GLY A 511 -4.246 -9.736 9.802 1.00 0.00 N ATOM 161 CA GLY A 511 -3.888 -10.061 11.162 1.00 0.00 C ATOM 162 C GLY A 511 -3.366 -8.878 11.957 1.00 0.00 C ATOM 163 O GLY A 511 -3.083 -9.015 13.150 1.00 0.00 O ATOM 0 H GLY A 511 -3.494 -9.849 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -4.761 -10.471 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -3.129 -10.843 11.151 1.00 0.00 H new ATOM 167 N ASP A 512 -3.241 -7.719 11.325 1.00 0.00 N ATOM 168 CA ASP A 512 -2.715 -6.548 12.020 1.00 0.00 C ATOM 169 C ASP A 512 -3.841 -5.599 12.410 1.00 0.00 C ATOM 170 O ASP A 512 -4.828 -5.451 11.685 1.00 0.00 O ATOM 171 CB ASP A 512 -1.686 -5.810 11.168 1.00 0.00 C ATOM 172 CG ASP A 512 -0.973 -4.726 11.962 1.00 0.00 C ATOM 173 OD1 ASP A 512 -1.471 -3.584 11.997 1.00 0.00 O ATOM 174 OD2 ASP A 512 0.072 -5.024 12.579 1.00 0.00 O1- ATOM 0 H ASP A 512 -3.491 -7.563 10.349 1.00 0.00 H new ATOM 0 HA ASP A 512 -2.221 -6.902 12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 512 -0.954 -6.521 10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -2.180 -5.364 10.305 1.00 0.00 H new ATOM 179 N ASN A 513 -3.688 -4.954 13.560 1.00 0.00 N ATOM 180 CA ASN A 513 -4.721 -4.069 14.089 1.00 0.00 C ATOM 181 C ASN A 513 -4.762 -2.740 13.336 1.00 0.00 C ATOM 182 O ASN A 513 -5.833 -2.177 13.112 1.00 0.00 O ATOM 183 CB ASN A 513 -4.496 -3.818 15.583 1.00 0.00 C ATOM 184 CG ASN A 513 -5.559 -2.919 16.189 1.00 0.00 C ATOM 185 OD1 ASN A 513 -6.622 -3.384 16.595 1.00 0.00 O ATOM 186 ND2 ASN A 513 -5.274 -1.626 16.270 1.00 0.00 N ATOM 0 H ASN A 513 -2.857 -5.027 14.146 1.00 0.00 H new ATOM 0 HA ASN A 513 -5.682 -4.565 13.949 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -4.487 -4.772 16.111 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -3.516 -3.364 15.728 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -5.948 -0.980 16.680 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -4.381 -1.278 15.922 1.00 0.00 H new ATOM 193 N ARG A 514 -3.600 -2.259 12.913 1.00 0.00 N ATOM 194 CA ARG A 514 -3.506 -0.952 12.272 1.00 0.00 C ATOM 195 C ARG A 514 -3.961 -1.037 10.822 1.00 0.00 C ATOM 196 O ARG A 514 -4.184 -0.019 10.170 1.00 0.00 O ATOM 197 CB ARG A 514 -2.075 -0.415 12.343 1.00 0.00 C ATOM 198 CG ARG A 514 -1.559 -0.264 13.763 1.00 0.00 C ATOM 199 CD ARG A 514 -0.186 0.386 13.799 1.00 0.00 C ATOM 200 NE ARG A 514 -0.226 1.787 13.376 1.00 0.00 N ATOM 201 CZ ARG A 514 0.837 2.592 13.375 1.00 0.00 C ATOM 202 NH1 ARG A 514 2.028 2.126 13.736 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 0.712 3.860 13.006 1.00 0.00 N ATOM 0 H ARG A 514 -2.711 -2.752 13.001 1.00 0.00 H new ATOM 0 HA ARG A 514 -4.161 -0.264 12.807 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -1.415 -1.086 11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -2.033 0.553 11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -2.260 0.336 14.343 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -1.510 -1.244 14.238 1.00 0.00 H new ATOM 0 HD2 ARG A 514 0.217 0.325 14.810 1.00 0.00 H new ATOM 0 HD3 ARG A 514 0.493 -0.168 13.151 1.00 0.00 H new ATOM 0 HE ARG A 514 -1.119 2.169 13.064 1.00 0.00 H new ATOM 0 HH11 ARG A 514 2.131 1.150 14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 514 2.839 2.744 13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 514 -0.199 4.221 12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 514 1.527 4.474 13.006 1.00 0.00 H new ATOM 217 N PHE A 515 -4.086 -2.256 10.321 1.00 0.00 N ATOM 218 CA PHE A 515 -4.544 -2.476 8.969 1.00 0.00 C ATOM 219 C PHE A 515 -5.909 -3.169 8.958 1.00 0.00 C ATOM 220 O PHE A 515 -6.392 -3.574 7.904 1.00 0.00 O ATOM 221 CB PHE A 515 -3.529 -3.331 8.217 1.00 0.00 C ATOM 222 CG PHE A 515 -2.142 -2.756 8.201 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.927 -1.432 7.858 1.00 0.00 C ATOM 224 CD2 PHE A 515 -1.051 -3.550 8.514 1.00 0.00 C ATOM 225 CE1 PHE A 515 -0.655 -0.907 7.838 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.226 -3.026 8.498 1.00 0.00 C ATOM 227 CZ PHE A 515 0.425 -1.705 8.155 1.00 0.00 C ATOM 0 H PHE A 515 -3.874 -3.109 10.838 1.00 0.00 H new ATOM 0 HA PHE A 515 -4.646 -1.508 8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -3.496 -4.321 8.671 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.869 -3.462 7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.768 -0.804 7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -1.201 -4.588 8.773 1.00 0.00 H new ATOM 0 HE1 PHE A 515 -0.502 0.129 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.069 -3.650 8.754 1.00 0.00 H new ATOM 0 HZ PHE A 515 1.424 -1.296 8.135 1.00 0.00 H new ATOM 237 N SER A 516 -6.537 -3.276 10.126 1.00 0.00 N ATOM 238 CA SER A 516 -7.780 -4.037 10.269 1.00 0.00 C ATOM 239 C SER A 516 -8.906 -3.527 9.360 1.00 0.00 C ATOM 240 O SER A 516 -9.604 -4.320 8.728 1.00 0.00 O ATOM 241 CB SER A 516 -8.237 -4.029 11.727 1.00 0.00 C ATOM 242 OG SER A 516 -7.339 -4.766 12.546 1.00 0.00 O ATOM 0 H SER A 516 -6.207 -2.845 10.990 1.00 0.00 H new ATOM 0 HA SER A 516 -7.561 -5.057 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 516 -8.302 -3.002 12.086 1.00 0.00 H new ATOM 0 HB3 SER A 516 -9.237 -4.457 11.801 1.00 0.00 H new ATOM 0 HG SER A 516 -6.488 -4.884 12.074 1.00 0.00 H new ATOM 248 N MET A 517 -9.095 -2.217 9.288 1.00 0.00 N ATOM 249 CA MET A 517 -10.138 -1.668 8.423 1.00 0.00 C ATOM 250 C MET A 517 -9.638 -1.546 6.985 1.00 0.00 C ATOM 251 O MET A 517 -10.431 -1.462 6.047 1.00 0.00 O ATOM 252 CB MET A 517 -10.643 -0.322 8.936 1.00 0.00 C ATOM 253 CG MET A 517 -9.548 0.700 9.154 1.00 0.00 C ATOM 254 SD MET A 517 -10.107 2.374 8.824 1.00 0.00 S ATOM 255 CE MET A 517 -10.553 2.196 7.101 1.00 0.00 C ATOM 0 H MET A 517 -8.554 -1.524 9.805 1.00 0.00 H new ATOM 0 HA MET A 517 -10.978 -2.362 8.439 1.00 0.00 H new ATOM 0 HB2 MET A 517 -11.365 0.079 8.225 1.00 0.00 H new ATOM 0 HB3 MET A 517 -11.174 -0.478 9.875 1.00 0.00 H new ATOM 0 HG2 MET A 517 -9.191 0.634 10.182 1.00 0.00 H new ATOM 0 HG3 MET A 517 -8.702 0.467 8.507 1.00 0.00 H new ATOM 0 HE1 MET A 517 -10.394 3.143 6.584 1.00 0.00 H new ATOM 0 HE2 MET A 517 -9.934 1.424 6.643 1.00 0.00 H new ATOM 0 HE3 MET A 517 -11.603 1.913 7.024 1.00 0.00 H new ATOM 265 N LEU A 518 -8.319 -1.535 6.825 1.00 0.00 N ATOM 266 CA LEU A 518 -7.693 -1.587 5.507 1.00 0.00 C ATOM 267 C LEU A 518 -8.145 -2.840 4.782 1.00 0.00 C ATOM 268 O LEU A 518 -8.459 -2.814 3.592 1.00 0.00 O ATOM 269 CB LEU A 518 -6.173 -1.595 5.670 1.00 0.00 C ATOM 270 CG LEU A 518 -5.348 -1.834 4.402 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.622 -0.774 3.351 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.867 -1.870 4.744 1.00 0.00 C ATOM 0 H LEU A 518 -7.657 -1.490 7.599 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.986 -0.714 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.871 -0.639 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.912 -2.365 6.396 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.643 -2.797 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -5.019 -0.975 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.678 -0.792 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -5.365 0.208 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -3.288 -2.040 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -3.573 -0.919 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.677 -2.676 5.452 1.00 0.00 H new ATOM 284 N VAL A 519 -8.194 -3.924 5.536 1.00 0.00 N ATOM 285 CA VAL A 519 -8.665 -5.218 5.028 1.00 0.00 C ATOM 286 C VAL A 519 -10.024 -5.071 4.364 1.00 0.00 C ATOM 287 O VAL A 519 -10.214 -5.468 3.218 1.00 0.00 O ATOM 288 CB VAL A 519 -8.805 -6.257 6.158 1.00 0.00 C ATOM 289 CG1 VAL A 519 -9.073 -7.649 5.601 1.00 0.00 C ATOM 290 CG2 VAL A 519 -7.578 -6.255 7.037 1.00 0.00 C ATOM 0 H VAL A 519 -7.911 -3.941 6.516 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.921 -5.559 4.308 1.00 0.00 H new ATOM 0 HB VAL A 519 -9.664 -5.975 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -9.167 -8.358 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.998 -7.638 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -8.247 -7.948 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -7.696 -6.995 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -6.701 -6.501 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -7.449 -5.267 7.480 1.00 0.00 H new ATOM 300 N ALA A 520 -10.955 -4.483 5.102 1.00 0.00 N ATOM 301 CA ALA A 520 -12.320 -4.280 4.617 1.00 0.00 C ATOM 302 C ALA A 520 -12.347 -3.411 3.358 1.00 0.00 C ATOM 303 O ALA A 520 -13.196 -3.598 2.485 1.00 0.00 O ATOM 304 CB ALA A 520 -13.174 -3.657 5.711 1.00 0.00 C ATOM 0 H ALA A 520 -10.791 -4.134 6.047 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.731 -5.254 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -14.189 -3.509 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -13.196 -4.319 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.750 -2.695 6.000 1.00 0.00 H new ATOM 310 N ALA A 521 -11.417 -2.469 3.260 1.00 0.00 N ATOM 311 CA ALA A 521 -11.320 -1.610 2.083 1.00 0.00 C ATOM 312 C ALA A 521 -10.830 -2.409 0.876 1.00 0.00 C ATOM 313 O ALA A 521 -11.435 -2.372 -0.196 1.00 0.00 O ATOM 314 CB ALA A 521 -10.403 -0.426 2.353 1.00 0.00 C ATOM 0 H ALA A 521 -10.719 -2.279 3.980 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.314 -1.224 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.346 0.200 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.799 0.159 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.407 -0.788 2.607 1.00 0.00 H new ATOM 320 N ILE A 522 -9.742 -3.146 1.070 1.00 0.00 N ATOM 321 CA ILE A 522 -9.202 -4.029 0.043 1.00 0.00 C ATOM 322 C ILE A 522 -10.245 -5.067 -0.351 1.00 0.00 C ATOM 323 O ILE A 522 -10.337 -5.480 -1.509 1.00 0.00 O ATOM 324 CB ILE A 522 -7.939 -4.753 0.561 1.00 0.00 C ATOM 325 CG1 ILE A 522 -6.902 -3.734 1.028 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.352 -5.656 -0.516 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.794 -4.331 1.864 1.00 0.00 C ATOM 0 H ILE A 522 -9.211 -3.148 1.941 1.00 0.00 H new ATOM 0 HA ILE A 522 -8.938 -3.424 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 522 -8.223 -5.377 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.465 -3.248 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.403 -2.958 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.464 -6.155 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -8.090 -6.403 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.081 -5.057 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -5.097 -3.546 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -6.219 -4.792 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.266 -5.086 1.282 1.00 0.00 H new ATOM 339 N GLN A 523 -11.035 -5.470 0.634 1.00 0.00 N ATOM 340 CA GLN A 523 -12.103 -6.419 0.457 1.00 0.00 C ATOM 341 C GLN A 523 -13.200 -5.843 -0.418 1.00 0.00 C ATOM 342 O GLN A 523 -13.657 -6.485 -1.364 1.00 0.00 O ATOM 343 CB GLN A 523 -12.656 -6.758 1.829 1.00 0.00 C ATOM 344 CG GLN A 523 -13.799 -7.732 1.807 1.00 0.00 C ATOM 345 CD GLN A 523 -13.428 -9.078 1.208 1.00 0.00 C ATOM 346 OE1 GLN A 523 -13.014 -9.991 1.919 1.00 0.00 O ATOM 347 NE2 GLN A 523 -13.550 -9.203 -0.108 1.00 0.00 N ATOM 0 H GLN A 523 -10.942 -5.135 1.593 1.00 0.00 H new ATOM 0 HA GLN A 523 -11.724 -7.314 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -11.853 -7.170 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -12.986 -5.839 2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -14.160 -7.882 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -14.623 -7.303 1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -13.898 -8.422 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -13.296 -10.080 -0.563 1.00 0.00 H new ATOM 356 N SER A 524 -13.627 -4.635 -0.078 1.00 0.00 N ATOM 357 CA SER A 524 -14.617 -3.911 -0.870 1.00 0.00 C ATOM 358 C SER A 524 -14.131 -3.747 -2.307 1.00 0.00 C ATOM 359 O SER A 524 -14.918 -3.796 -3.252 1.00 0.00 O ATOM 360 CB SER A 524 -14.897 -2.542 -0.245 1.00 0.00 C ATOM 361 OG SER A 524 -15.381 -2.677 1.083 1.00 0.00 O ATOM 0 H SER A 524 -13.302 -4.131 0.747 1.00 0.00 H new ATOM 0 HA SER A 524 -15.543 -4.487 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 524 -13.985 -1.945 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 524 -15.628 -2.005 -0.849 1.00 0.00 H new ATOM 0 HG SER A 524 -14.643 -2.929 1.676 1.00 0.00 H new ATOM 367 N ALA A 525 -12.825 -3.586 -2.456 1.00 0.00 N ATOM 368 CA ALA A 525 -12.208 -3.441 -3.767 1.00 0.00 C ATOM 369 C ALA A 525 -12.075 -4.793 -4.466 1.00 0.00 C ATOM 370 O ALA A 525 -11.887 -4.856 -5.681 1.00 0.00 O ATOM 371 CB ALA A 525 -10.846 -2.783 -3.627 1.00 0.00 C ATOM 0 H ALA A 525 -12.166 -3.552 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 525 -12.850 -2.809 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -10.390 -2.678 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -10.962 -1.799 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.207 -3.400 -2.995 1.00 0.00 H new ATOM 377 N GLY A 526 -12.168 -5.874 -3.693 1.00 0.00 N ATOM 378 CA GLY A 526 -12.051 -7.205 -4.256 1.00 0.00 C ATOM 379 C GLY A 526 -10.626 -7.571 -4.620 1.00 0.00 C ATOM 380 O GLY A 526 -10.397 -8.518 -5.369 1.00 0.00 O ATOM 0 H GLY A 526 -12.323 -5.849 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -12.435 -7.931 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -12.676 -7.273 -5.146 1.00 0.00 H new ATOM 384 N LEU A 527 -9.658 -6.853 -4.058 1.00 0.00 N ATOM 385 CA LEU A 527 -8.257 -7.073 -4.404 1.00 0.00 C ATOM 386 C LEU A 527 -7.653 -8.205 -3.587 1.00 0.00 C ATOM 387 O LEU A 527 -6.449 -8.462 -3.661 1.00 0.00 O ATOM 388 CB LEU A 527 -7.430 -5.811 -4.197 1.00 0.00 C ATOM 389 CG LEU A 527 -7.849 -4.600 -5.031 1.00 0.00 C ATOM 390 CD1 LEU A 527 -6.978 -3.403 -4.693 1.00 0.00 C ATOM 391 CD2 LEU A 527 -7.771 -4.916 -6.518 1.00 0.00 C ATOM 0 H LEU A 527 -9.815 -6.120 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 527 -8.234 -7.346 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -7.477 -5.537 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -6.388 -6.040 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 527 -8.884 -4.357 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -7.287 -2.547 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -7.086 -3.162 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -5.936 -3.639 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -8.073 -4.040 -7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -6.748 -5.186 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -8.436 -5.748 -6.748 1.00 0.00 H new ATOM 403 N THR A 528 -8.479 -8.879 -2.805 1.00 0.00 N ATOM 404 CA THR A 528 -8.033 -10.042 -2.072 1.00 0.00 C ATOM 405 C THR A 528 -7.455 -11.078 -3.038 1.00 0.00 C ATOM 406 O THR A 528 -6.388 -11.650 -2.796 1.00 0.00 O ATOM 407 CB THR A 528 -9.194 -10.658 -1.288 1.00 0.00 C ATOM 408 OG1 THR A 528 -9.868 -9.633 -0.550 1.00 0.00 O ATOM 409 CG2 THR A 528 -8.686 -11.725 -0.341 1.00 0.00 C ATOM 0 H THR A 528 -9.460 -8.638 -2.664 1.00 0.00 H new ATOM 0 HA THR A 528 -7.259 -9.733 -1.369 1.00 0.00 H new ATOM 0 HB THR A 528 -9.889 -11.120 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 528 -10.613 -10.026 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 528 -9.524 -12.153 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 528 -8.187 -12.509 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 528 -7.980 -11.282 0.361 1.00 0.00 H new ATOM 417 N GLU A 529 -8.166 -11.278 -4.144 1.00 0.00 N ATOM 418 CA GLU A 529 -7.720 -12.146 -5.233 1.00 0.00 C ATOM 419 C GLU A 529 -6.329 -11.768 -5.733 1.00 0.00 C ATOM 420 O GLU A 529 -5.544 -12.636 -6.104 1.00 0.00 O ATOM 421 CB GLU A 529 -8.716 -12.071 -6.398 1.00 0.00 C ATOM 422 CG GLU A 529 -9.866 -13.055 -6.292 1.00 0.00 C ATOM 423 CD GLU A 529 -9.437 -14.474 -6.600 1.00 0.00 C ATOM 424 OE1 GLU A 529 -8.993 -15.176 -5.676 1.00 0.00 O1- ATOM 425 OE2 GLU A 529 -9.533 -14.885 -7.779 1.00 0.00 O ATOM 0 H GLU A 529 -9.072 -10.841 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.672 -13.162 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -9.120 -11.060 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -8.182 -12.251 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -10.285 -13.014 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -10.659 -12.760 -6.980 1.00 0.00 H new ATOM 432 N THR A 530 -6.021 -10.477 -5.736 1.00 0.00 N ATOM 433 CA THR A 530 -4.759 -10.005 -6.279 1.00 0.00 C ATOM 434 C THR A 530 -3.579 -10.425 -5.399 1.00 0.00 C ATOM 435 O THR A 530 -2.509 -10.767 -5.898 1.00 0.00 O ATOM 436 CB THR A 530 -4.776 -8.472 -6.411 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.013 -8.052 -7.007 1.00 0.00 O ATOM 438 CG2 THR A 530 -3.613 -7.989 -7.262 1.00 0.00 C ATOM 0 H THR A 530 -6.627 -9.743 -5.370 1.00 0.00 H new ATOM 0 HA THR A 530 -4.635 -10.458 -7.263 1.00 0.00 H new ATOM 0 HB THR A 530 -4.681 -8.040 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 530 -5.908 -7.151 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 530 -3.646 -6.902 -7.341 1.00 0.00 H new ATOM 0 HG22 THR A 530 -2.673 -8.291 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 530 -3.684 -8.427 -8.257 1.00 0.00 H new ATOM 446 N LEU A 531 -3.789 -10.420 -4.089 1.00 0.00 N ATOM 447 CA LEU A 531 -2.708 -10.655 -3.145 1.00 0.00 C ATOM 448 C LEU A 531 -2.650 -12.110 -2.694 1.00 0.00 C ATOM 449 O LEU A 531 -1.586 -12.609 -2.350 1.00 0.00 O ATOM 450 CB LEU A 531 -2.866 -9.732 -1.935 1.00 0.00 C ATOM 451 CG LEU A 531 -2.784 -8.241 -2.258 1.00 0.00 C ATOM 452 CD1 LEU A 531 -3.057 -7.407 -1.018 1.00 0.00 C ATOM 453 CD2 LEU A 531 -1.422 -7.902 -2.841 1.00 0.00 C ATOM 0 H LEU A 531 -4.699 -10.256 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 531 -1.769 -10.435 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -3.827 -9.936 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -2.094 -9.975 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 531 -3.547 -8.006 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -2.994 -6.348 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -4.055 -7.631 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -2.319 -7.642 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -1.378 -6.836 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -0.645 -8.153 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.265 -8.473 -3.756 1.00 0.00 H new ATOM 465 N ASN A 532 -3.787 -12.796 -2.711 1.00 0.00 N ATOM 466 CA ASN A 532 -3.859 -14.180 -2.248 1.00 0.00 C ATOM 467 C ASN A 532 -3.467 -15.179 -3.333 1.00 0.00 C ATOM 468 O ASN A 532 -3.835 -16.351 -3.272 1.00 0.00 O ATOM 469 CB ASN A 532 -5.264 -14.467 -1.732 1.00 0.00 C ATOM 470 CG ASN A 532 -5.456 -13.944 -0.330 1.00 0.00 C ATOM 471 OD1 ASN A 532 -5.253 -14.654 0.656 1.00 0.00 O ATOM 472 ND2 ASN A 532 -5.823 -12.685 -0.234 1.00 0.00 N ATOM 0 H ASN A 532 -4.675 -12.417 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.137 -14.302 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -5.997 -14.009 -2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.446 -15.541 -1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -5.950 -12.260 0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -5.980 -12.134 -1.078 1.00 0.00 H new ATOM 479 N ARG A 533 -2.696 -14.720 -4.305 1.00 0.00 N ATOM 480 CA ARG A 533 -2.172 -15.599 -5.342 1.00 0.00 C ATOM 481 C ARG A 533 -0.651 -15.619 -5.316 1.00 0.00 C ATOM 482 O ARG A 533 -0.019 -14.651 -4.892 1.00 0.00 O ATOM 483 CB ARG A 533 -2.665 -15.159 -6.719 1.00 0.00 C ATOM 484 CG ARG A 533 -4.159 -15.335 -6.901 1.00 0.00 C ATOM 485 CD ARG A 533 -4.601 -14.918 -8.286 1.00 0.00 C ATOM 486 NE ARG A 533 -6.029 -15.136 -8.478 1.00 0.00 N ATOM 487 CZ ARG A 533 -6.554 -15.680 -9.570 1.00 0.00 C ATOM 488 NH1 ARG A 533 -5.770 -16.026 -10.586 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -7.862 -15.863 -9.644 1.00 0.00 N ATOM 0 H ARG A 533 -2.418 -13.743 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.536 -16.607 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -2.408 -14.111 -6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -2.142 -15.731 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -4.427 -16.378 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -4.690 -14.744 -6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -4.368 -13.865 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -4.042 -15.482 -9.033 1.00 0.00 H new ATOM 0 HE ARG A 533 -6.663 -14.854 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -4.763 -15.874 -10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -6.175 -16.444 -11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -8.460 -15.587 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -8.272 -16.280 -10.480 1.00 0.00 H new ATOM 503 N GLU A 534 -0.070 -16.725 -5.763 1.00 0.00 N ATOM 504 CA GLU A 534 1.379 -16.867 -5.798 1.00 0.00 C ATOM 505 C GLU A 534 1.968 -15.951 -6.863 1.00 0.00 C ATOM 506 O GLU A 534 1.698 -16.114 -8.055 1.00 0.00 O ATOM 507 CB GLU A 534 1.778 -18.319 -6.086 1.00 0.00 C ATOM 508 CG GLU A 534 1.177 -19.326 -5.121 1.00 0.00 C ATOM 509 CD GLU A 534 1.670 -20.739 -5.375 1.00 0.00 C ATOM 510 OE1 GLU A 534 1.813 -21.121 -6.552 1.00 0.00 O ATOM 511 OE2 GLU A 534 1.905 -21.478 -4.396 1.00 0.00 O1- ATOM 0 H GLU A 534 -0.581 -17.538 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 534 1.773 -16.586 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 534 1.472 -18.575 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 534 2.864 -18.401 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 534 1.423 -19.037 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 534 0.091 -19.303 -5.206 1.00 0.00 H new ATOM 518 N GLY A 535 2.758 -14.988 -6.424 1.00 0.00 N ATOM 519 CA GLY A 535 3.367 -14.048 -7.333 1.00 0.00 C ATOM 520 C GLY A 535 4.260 -13.072 -6.604 1.00 0.00 C ATOM 521 O GLY A 535 4.631 -13.307 -5.455 1.00 0.00 O ATOM 0 H GLY A 535 2.990 -14.840 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 535 3.949 -14.588 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 535 2.590 -13.502 -7.868 1.00 0.00 H new ATOM 525 N VAL A 536 4.601 -11.981 -7.268 1.00 0.00 N ATOM 526 CA VAL A 536 5.456 -10.964 -6.679 1.00 0.00 C ATOM 527 C VAL A 536 4.719 -9.630 -6.612 1.00 0.00 C ATOM 528 O VAL A 536 4.159 -9.174 -7.605 1.00 0.00 O ATOM 529 CB VAL A 536 6.768 -10.807 -7.485 1.00 0.00 C ATOM 530 CG1 VAL A 536 7.621 -12.061 -7.358 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.486 -10.510 -8.953 1.00 0.00 C ATOM 0 H VAL A 536 4.297 -11.776 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 536 5.712 -11.280 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 536 7.315 -9.961 -7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.540 -11.935 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 536 7.866 -12.229 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.068 -12.918 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.428 -10.406 -9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 536 5.910 -11.328 -9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 536 5.917 -9.584 -9.034 1.00 0.00 H new ATOM 541 N TYR A 537 4.697 -9.024 -5.433 1.00 0.00 N ATOM 542 CA TYR A 537 4.024 -7.746 -5.236 1.00 0.00 C ATOM 543 C TYR A 537 4.729 -6.927 -4.166 1.00 0.00 C ATOM 544 O TYR A 537 5.186 -7.466 -3.160 1.00 0.00 O ATOM 545 CB TYR A 537 2.564 -7.950 -4.806 1.00 0.00 C ATOM 546 CG TYR A 537 1.687 -8.635 -5.829 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.155 -7.929 -6.900 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.391 -9.988 -5.720 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.348 -8.551 -7.832 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.583 -10.616 -6.647 1.00 0.00 C ATOM 551 CZ TYR A 537 0.067 -9.893 -7.703 1.00 0.00 C ATOM 552 OH TYR A 537 -0.742 -10.517 -8.626 1.00 0.00 O ATOM 0 H TYR A 537 5.140 -9.399 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 537 4.053 -7.217 -6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.550 -8.536 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.131 -6.978 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.376 -6.877 -7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.799 -10.557 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 537 -0.061 -7.988 -8.658 1.00 0.00 H new ATOM 0 HE2 TYR A 537 0.356 -11.667 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 537 -0.839 -11.463 -8.390 1.00 0.00 H new ATOM 562 N THR A 538 4.824 -5.631 -4.394 1.00 0.00 N ATOM 563 CA THR A 538 5.280 -4.709 -3.365 1.00 0.00 C ATOM 564 C THR A 538 4.141 -3.785 -2.969 1.00 0.00 C ATOM 565 O THR A 538 3.812 -2.848 -3.692 1.00 0.00 O ATOM 566 CB THR A 538 6.479 -3.881 -3.850 1.00 0.00 C ATOM 567 OG1 THR A 538 7.552 -4.757 -4.189 1.00 0.00 O ATOM 568 CG2 THR A 538 6.943 -2.892 -2.793 1.00 0.00 C ATOM 0 H THR A 538 4.592 -5.190 -5.284 1.00 0.00 H new ATOM 0 HA THR A 538 5.600 -5.291 -2.501 1.00 0.00 H new ATOM 0 HB THR A 538 6.166 -3.312 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.435 -5.077 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.793 -2.325 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.129 -2.208 -2.552 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.241 -3.433 -1.895 1.00 0.00 H new ATOM 576 N VAL A 539 3.516 -4.070 -1.842 1.00 0.00 N ATOM 577 CA VAL A 539 2.346 -3.335 -1.428 1.00 0.00 C ATOM 578 C VAL A 539 2.685 -2.307 -0.363 1.00 0.00 C ATOM 579 O VAL A 539 3.180 -2.654 0.714 1.00 0.00 O ATOM 580 CB VAL A 539 1.275 -4.293 -0.876 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.028 -3.526 -0.485 1.00 0.00 C ATOM 582 CG2 VAL A 539 0.955 -5.370 -1.900 1.00 0.00 C ATOM 0 H VAL A 539 3.803 -4.808 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 539 1.961 -2.818 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 539 1.665 -4.778 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.719 -4.219 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.277 -2.794 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.373 -3.013 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.196 -6.041 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.581 -4.905 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 539 1.858 -5.937 -2.126 1.00 0.00 H new ATOM 592 N PHE A 540 2.434 -1.041 -0.658 1.00 0.00 N ATOM 593 CA PHE A 540 2.540 -0.021 0.357 1.00 0.00 C ATOM 594 C PHE A 540 1.217 0.078 1.112 1.00 0.00 C ATOM 595 O PHE A 540 0.192 0.481 0.560 1.00 0.00 O ATOM 596 CB PHE A 540 2.974 1.297 -0.278 1.00 0.00 C ATOM 597 CG PHE A 540 4.447 1.320 -0.557 1.00 0.00 C ATOM 598 CD1 PHE A 540 4.951 0.835 -1.750 1.00 0.00 C ATOM 599 CD2 PHE A 540 5.323 1.823 0.380 1.00 0.00 C ATOM 600 CE1 PHE A 540 6.308 0.853 -2.004 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.685 1.847 0.134 1.00 0.00 C ATOM 602 CZ PHE A 540 7.177 1.362 -1.062 1.00 0.00 C ATOM 0 H PHE A 540 2.159 -0.704 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 540 3.306 -0.280 1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.425 1.451 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 540 2.716 2.123 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 540 4.275 0.437 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.943 2.203 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 540 6.688 0.469 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 540 7.362 2.244 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.239 1.381 -1.259 1.00 0.00 H new ATOM 612 N ALA A 541 1.256 -0.322 2.381 1.00 0.00 N ATOM 613 CA ALA A 541 0.041 -0.553 3.163 1.00 0.00 C ATOM 614 C ALA A 541 -0.180 0.542 4.196 1.00 0.00 C ATOM 615 O ALA A 541 0.596 0.678 5.143 1.00 0.00 O ATOM 616 CB ALA A 541 0.108 -1.911 3.844 1.00 0.00 C ATOM 0 H ALA A 541 2.121 -0.494 2.893 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.805 -0.535 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.801 -2.073 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.201 -2.692 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 541 0.972 -1.943 4.508 1.00 0.00 H new ATOM 622 N PRO A 542 -1.241 1.344 4.014 1.00 0.00 N ATOM 623 CA PRO A 542 -1.535 2.490 4.871 1.00 0.00 C ATOM 624 C PRO A 542 -2.205 2.089 6.181 1.00 0.00 C ATOM 625 O PRO A 542 -3.021 1.167 6.220 1.00 0.00 O ATOM 626 CB PRO A 542 -2.489 3.348 4.022 1.00 0.00 C ATOM 627 CG PRO A 542 -2.667 2.624 2.721 1.00 0.00 C ATOM 628 CD PRO A 542 -2.242 1.204 2.956 1.00 0.00 C ATOM 0 HA PRO A 542 -0.624 3.010 5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.446 3.480 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -2.075 4.343 3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -3.705 2.668 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -2.065 3.083 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -3.077 0.577 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.822 0.752 2.057 1.00 0.00 H new ATOM 636 N THR A 543 -1.850 2.789 7.248 1.00 0.00 N ATOM 637 CA THR A 543 -2.408 2.529 8.565 1.00 0.00 C ATOM 638 C THR A 543 -3.728 3.276 8.775 1.00 0.00 C ATOM 639 O THR A 543 -4.214 3.973 7.879 1.00 0.00 O ATOM 640 CB THR A 543 -1.415 2.950 9.656 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.167 4.359 9.570 1.00 0.00 O ATOM 642 CG2 THR A 543 -0.103 2.205 9.502 1.00 0.00 C ATOM 0 H THR A 543 -1.170 3.549 7.225 1.00 0.00 H new ATOM 0 HA THR A 543 -2.600 1.458 8.631 1.00 0.00 H new ATOM 0 HB THR A 543 -1.849 2.708 10.626 1.00 0.00 H new ATOM 0 HG1 THR A 543 -1.086 4.733 10.472 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.587 2.518 10.285 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.282 1.133 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.330 2.428 8.527 1.00 0.00 H new ATOM 650 N ASN A 544 -4.296 3.147 9.971 1.00 0.00 N ATOM 651 CA ASN A 544 -5.559 3.803 10.297 1.00 0.00 C ATOM 652 C ASN A 544 -5.384 5.313 10.352 1.00 0.00 C ATOM 653 O ASN A 544 -6.335 6.062 10.135 1.00 0.00 O ATOM 654 CB ASN A 544 -6.124 3.299 11.632 1.00 0.00 C ATOM 655 CG ASN A 544 -6.441 1.816 11.622 1.00 0.00 C ATOM 656 OD1 ASN A 544 -6.745 1.276 10.452 1.00 0.00 O flip ATOM 657 ND2 ASN A 544 -6.410 1.158 12.661 1.00 0.00 N flip ATOM 0 H ASN A 544 -3.901 2.593 10.731 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.267 3.554 9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -5.405 3.505 12.425 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -7.030 3.856 11.870 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -6.171 1.610 13.544 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -6.623 0.161 12.640 1.00 0.00 H new ATOM 664 N GLU A 545 -4.163 5.758 10.632 1.00 0.00 N ATOM 665 CA GLU A 545 -3.866 7.182 10.660 1.00 0.00 C ATOM 666 C GLU A 545 -3.880 7.759 9.250 1.00 0.00 C ATOM 667 O GLU A 545 -4.067 8.960 9.067 1.00 0.00 O ATOM 668 CB GLU A 545 -2.509 7.473 11.312 1.00 0.00 C ATOM 669 CG GLU A 545 -2.418 7.098 12.786 1.00 0.00 C ATOM 670 CD GLU A 545 -2.029 5.651 13.007 1.00 0.00 C ATOM 671 OE1 GLU A 545 -1.784 4.934 12.017 1.00 0.00 O1- ATOM 672 OE2 GLU A 545 -1.957 5.224 14.173 1.00 0.00 O ATOM 0 H GLU A 545 -3.368 5.154 10.842 1.00 0.00 H new ATOM 0 HA GLU A 545 -4.642 7.656 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -1.735 6.934 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -2.291 8.536 11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -1.688 7.743 13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -3.380 7.287 13.263 1.00 0.00 H new ATOM 679 N ALA A 546 -3.695 6.901 8.253 1.00 0.00 N ATOM 680 CA ALA A 546 -3.634 7.357 6.870 1.00 0.00 C ATOM 681 C ALA A 546 -5.009 7.511 6.280 1.00 0.00 C ATOM 682 O ALA A 546 -5.258 8.408 5.480 1.00 0.00 O ATOM 683 CB ALA A 546 -2.796 6.415 6.024 1.00 0.00 C ATOM 0 H ALA A 546 -3.586 5.894 8.375 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.157 8.337 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -2.766 6.778 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -1.783 6.372 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.237 5.418 6.044 1.00 0.00 H new ATOM 689 N PHE A 547 -5.898 6.645 6.690 1.00 0.00 N ATOM 690 CA PHE A 547 -7.294 6.772 6.337 1.00 0.00 C ATOM 691 C PHE A 547 -7.850 7.993 7.053 1.00 0.00 C ATOM 692 O PHE A 547 -8.926 8.492 6.735 1.00 0.00 O ATOM 693 CB PHE A 547 -8.045 5.482 6.689 1.00 0.00 C ATOM 694 CG PHE A 547 -7.290 4.257 6.250 1.00 0.00 C ATOM 695 CD1 PHE A 547 -6.550 4.279 5.076 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.305 3.096 7.008 1.00 0.00 C ATOM 697 CE1 PHE A 547 -5.845 3.169 4.666 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.603 1.980 6.599 1.00 0.00 C ATOM 699 CZ PHE A 547 -5.872 2.017 5.429 1.00 0.00 C ATOM 0 H PHE A 547 -5.681 5.837 7.273 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.419 6.915 5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.211 5.440 7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.027 5.493 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -6.527 5.177 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.871 3.065 7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -5.273 3.199 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.626 1.079 7.194 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.321 1.145 5.109 1.00 0.00 H new ATOM 709 N ARG A 548 -7.071 8.471 8.027 1.00 0.00 N ATOM 710 CA ARG A 548 -7.457 9.625 8.825 1.00 0.00 C ATOM 711 C ARG A 548 -6.871 10.892 8.210 1.00 0.00 C ATOM 712 O ARG A 548 -7.301 12.006 8.506 1.00 0.00 O ATOM 713 CB ARG A 548 -6.984 9.458 10.275 1.00 0.00 C ATOM 714 CG ARG A 548 -7.457 10.562 11.211 1.00 0.00 C ATOM 715 CD ARG A 548 -8.975 10.616 11.271 1.00 0.00 C ATOM 716 NE ARG A 548 -9.548 9.358 11.743 1.00 0.00 N ATOM 717 CZ ARG A 548 -10.845 9.067 11.705 1.00 0.00 C ATOM 718 NH1 ARG A 548 -11.723 9.960 11.259 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -11.258 7.880 12.128 1.00 0.00 N ATOM 0 H ARG A 548 -6.167 8.071 8.278 1.00 0.00 H new ATOM 0 HA ARG A 548 -8.544 9.706 8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -7.337 8.499 10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -5.895 9.425 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -7.056 10.392 12.210 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -7.069 11.522 10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -9.283 11.426 11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -9.369 10.845 10.281 1.00 0.00 H new ATOM 0 HE ARG A 548 -8.913 8.658 12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -11.403 10.876 10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -12.716 9.730 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -10.583 7.200 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -12.251 7.647 12.103 1.00 0.00 H new ATOM 733 N ALA A 549 -5.882 10.701 7.345 1.00 0.00 N ATOM 734 CA ALA A 549 -5.203 11.807 6.690 1.00 0.00 C ATOM 735 C ALA A 549 -6.002 12.266 5.483 1.00 0.00 C ATOM 736 O ALA A 549 -5.753 13.328 4.914 1.00 0.00 O ATOM 737 CB ALA A 549 -3.800 11.384 6.278 1.00 0.00 C ATOM 0 H ALA A 549 -5.532 9.780 7.081 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.122 12.641 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.298 12.218 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.235 11.089 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -3.862 10.542 5.589 1.00 0.00 H new ATOM 743 N LEU A 550 -6.965 11.445 5.104 1.00 0.00 N ATOM 744 CA LEU A 550 -7.835 11.737 3.983 1.00 0.00 C ATOM 745 C LEU A 550 -9.185 12.244 4.465 1.00 0.00 C ATOM 746 O LEU A 550 -9.768 11.686 5.393 1.00 0.00 O ATOM 747 CB LEU A 550 -8.020 10.485 3.125 1.00 0.00 C ATOM 748 CG LEU A 550 -6.792 10.096 2.303 1.00 0.00 C ATOM 749 CD1 LEU A 550 -7.079 8.866 1.462 1.00 0.00 C ATOM 750 CD2 LEU A 550 -6.349 11.252 1.419 1.00 0.00 C ATOM 0 H LEU A 550 -7.165 10.558 5.566 1.00 0.00 H new ATOM 0 HA LEU A 550 -7.371 12.518 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -8.287 9.651 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -8.860 10.644 2.448 1.00 0.00 H new ATOM 0 HG LEU A 550 -5.982 9.860 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -6.192 8.605 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -7.345 8.034 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -7.906 9.074 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -5.473 10.954 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -7.157 11.521 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -6.098 12.111 2.042 1.00 0.00 H new ATOM 762 N PRO A 551 -9.682 13.331 3.859 1.00 0.00 N ATOM 763 CA PRO A 551 -11.015 13.846 4.149 1.00 0.00 C ATOM 764 C PRO A 551 -12.071 12.762 3.959 1.00 0.00 C ATOM 765 O PRO A 551 -12.039 12.032 2.965 1.00 0.00 O ATOM 766 CB PRO A 551 -11.201 14.965 3.120 1.00 0.00 C ATOM 767 CG PRO A 551 -9.818 15.384 2.763 1.00 0.00 C ATOM 768 CD PRO A 551 -8.976 14.143 2.855 1.00 0.00 C ATOM 0 HA PRO A 551 -11.119 14.191 5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -11.746 14.611 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -11.771 15.795 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -9.784 15.805 1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -9.455 16.154 3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -8.910 13.629 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -7.956 14.370 3.166 1.00 0.00 H new ATOM 776 N PRO A 552 -13.018 12.646 4.906 1.00 0.00 N ATOM 777 CA PRO A 552 -14.046 11.595 4.892 1.00 0.00 C ATOM 778 C PRO A 552 -14.750 11.446 3.543 1.00 0.00 C ATOM 779 O PRO A 552 -15.117 10.337 3.154 1.00 0.00 O ATOM 780 CB PRO A 552 -15.030 12.061 5.962 1.00 0.00 C ATOM 781 CG PRO A 552 -14.201 12.847 6.915 1.00 0.00 C ATOM 782 CD PRO A 552 -13.143 13.523 6.086 1.00 0.00 C ATOM 0 HA PRO A 552 -13.613 10.611 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -15.825 12.670 5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -15.508 11.215 6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -14.807 13.580 7.447 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -13.752 12.199 7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -13.438 14.534 5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -12.200 13.605 6.627 1.00 0.00 H new ATOM 790 N ARG A 553 -14.921 12.560 2.829 1.00 0.00 N ATOM 791 CA ARG A 553 -15.594 12.550 1.532 1.00 0.00 C ATOM 792 C ARG A 553 -14.861 11.653 0.529 1.00 0.00 C ATOM 793 O ARG A 553 -15.489 10.969 -0.275 1.00 0.00 O ATOM 794 CB ARG A 553 -15.704 13.974 0.966 1.00 0.00 C ATOM 795 CG ARG A 553 -14.390 14.530 0.441 1.00 0.00 C ATOM 796 CD ARG A 553 -14.591 15.838 -0.300 1.00 0.00 C ATOM 797 NE ARG A 553 -13.414 16.210 -1.081 1.00 0.00 N ATOM 798 CZ ARG A 553 -12.937 17.451 -1.171 1.00 0.00 C ATOM 799 NH1 ARG A 553 -13.453 18.424 -0.425 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -11.928 17.714 -1.989 1.00 0.00 N ATOM 0 H ARG A 553 -14.602 13.481 3.129 1.00 0.00 H new ATOM 0 HA ARG A 553 -16.595 12.148 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -16.437 13.979 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -16.082 14.636 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -13.702 14.685 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -13.927 13.802 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -15.453 15.751 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -14.817 16.629 0.415 1.00 0.00 H new ATOM 0 HE ARG A 553 -12.926 15.473 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -14.217 18.222 0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -13.084 19.372 -0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -11.517 16.967 -2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -11.562 18.664 -2.059 1.00 0.00 H new ATOM 814 N GLU A 554 -13.532 11.641 0.603 1.00 0.00 N ATOM 815 CA GLU A 554 -12.722 10.906 -0.355 1.00 0.00 C ATOM 816 C GLU A 554 -12.826 9.410 -0.113 1.00 0.00 C ATOM 817 O GLU A 554 -12.933 8.626 -1.050 1.00 0.00 O ATOM 818 CB GLU A 554 -11.262 11.352 -0.277 1.00 0.00 C ATOM 819 CG GLU A 554 -10.787 12.117 -1.506 1.00 0.00 C ATOM 820 CD GLU A 554 -11.568 13.391 -1.757 1.00 0.00 C ATOM 821 OE1 GLU A 554 -12.698 13.314 -2.282 1.00 0.00 O ATOM 822 OE2 GLU A 554 -11.048 14.480 -1.438 1.00 0.00 O1- ATOM 0 H GLU A 554 -12.997 12.133 1.318 1.00 0.00 H new ATOM 0 HA GLU A 554 -13.101 11.122 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -11.130 11.980 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -10.630 10.474 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -9.732 12.363 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -10.867 11.472 -2.381 1.00 0.00 H new ATOM 829 N TRP A 555 -12.819 9.020 1.145 1.00 0.00 N ATOM 830 CA TRP A 555 -12.893 7.615 1.493 1.00 0.00 C ATOM 831 C TRP A 555 -14.318 7.111 1.436 1.00 0.00 C ATOM 832 O TRP A 555 -14.558 5.937 1.167 1.00 0.00 O ATOM 833 CB TRP A 555 -12.282 7.387 2.856 1.00 0.00 C ATOM 834 CG TRP A 555 -10.952 6.731 2.734 1.00 0.00 C ATOM 835 CD1 TRP A 555 -9.807 7.298 2.272 1.00 0.00 C ATOM 836 CD2 TRP A 555 -10.628 5.374 3.041 1.00 0.00 C ATOM 837 NE1 TRP A 555 -8.799 6.369 2.255 1.00 0.00 N ATOM 838 CE2 TRP A 555 -9.273 5.195 2.723 1.00 0.00 C ATOM 839 CE3 TRP A 555 -11.347 4.292 3.540 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -8.622 3.993 2.888 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -10.687 3.092 3.714 1.00 0.00 C ATOM 842 CH2 TRP A 555 -9.336 2.955 3.381 1.00 0.00 C ATOM 0 H TRP A 555 -12.763 9.654 1.942 1.00 0.00 H new ATOM 0 HA TRP A 555 -12.322 7.045 0.760 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -12.177 8.339 3.377 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -12.945 6.766 3.458 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -9.706 8.328 1.964 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -7.844 6.538 1.939 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -12.394 4.389 3.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -7.578 3.883 2.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -11.224 2.244 4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -8.852 2.000 3.520 1.00 0.00 H new ATOM 853 N SER A 556 -15.253 8.006 1.686 1.00 0.00 N ATOM 854 CA SER A 556 -16.660 7.729 1.418 1.00 0.00 C ATOM 855 C SER A 556 -16.832 7.361 -0.059 1.00 0.00 C ATOM 856 O SER A 556 -17.714 6.584 -0.428 1.00 0.00 O ATOM 857 CB SER A 556 -17.524 8.943 1.781 1.00 0.00 C ATOM 858 OG SER A 556 -18.890 8.738 1.448 1.00 0.00 O ATOM 0 H SER A 556 -15.070 8.931 2.074 1.00 0.00 H new ATOM 0 HA SER A 556 -16.987 6.891 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 556 -17.437 9.145 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 556 -17.151 9.824 1.258 1.00 0.00 H new ATOM 0 HG SER A 556 -19.410 9.531 1.695 1.00 0.00 H new ATOM 864 N ARG A 557 -15.960 7.916 -0.896 1.00 0.00 N ATOM 865 CA ARG A 557 -15.946 7.598 -2.315 1.00 0.00 C ATOM 866 C ARG A 557 -15.329 6.225 -2.567 1.00 0.00 C ATOM 867 O ARG A 557 -15.821 5.470 -3.397 1.00 0.00 O ATOM 868 CB ARG A 557 -15.183 8.674 -3.099 1.00 0.00 C ATOM 869 CG ARG A 557 -15.965 9.965 -3.274 1.00 0.00 C ATOM 870 CD ARG A 557 -15.131 11.055 -3.935 1.00 0.00 C ATOM 871 NE ARG A 557 -15.984 12.066 -4.564 1.00 0.00 N ATOM 872 CZ ARG A 557 -15.750 13.381 -4.560 1.00 0.00 C ATOM 873 NH1 ARG A 557 -14.694 13.892 -3.940 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -16.598 14.192 -5.178 1.00 0.00 N ATOM 0 H ARG A 557 -15.251 8.592 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 557 -16.979 7.575 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -14.247 8.892 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -14.922 8.280 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -16.852 9.772 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -16.311 10.314 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -14.490 11.528 -3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -14.476 10.611 -4.684 1.00 0.00 H new ATOM 0 HE ARG A 557 -16.823 11.740 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -14.041 13.277 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -14.535 14.899 -3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -17.418 13.810 -5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -16.430 15.198 -5.182 1.00 0.00 H new ATOM 888 N LEU A 558 -14.264 5.890 -1.846 1.00 0.00 N ATOM 889 CA LEU A 558 -13.572 4.623 -2.079 1.00 0.00 C ATOM 890 C LEU A 558 -14.365 3.453 -1.494 1.00 0.00 C ATOM 891 O LEU A 558 -14.683 2.501 -2.194 1.00 0.00 O ATOM 892 CB LEU A 558 -12.157 4.645 -1.490 1.00 0.00 C ATOM 893 CG LEU A 558 -11.436 5.996 -1.557 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.068 5.910 -0.905 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.310 6.468 -2.999 1.00 0.00 C ATOM 0 H LEU A 558 -13.864 6.467 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.492 4.488 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.211 4.333 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.553 3.904 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.032 6.725 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.575 6.880 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.181 5.624 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.465 5.164 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -10.795 7.429 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -10.741 5.737 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.303 6.577 -3.434 1.00 0.00 H new ATOM 907 N LEU A 559 -14.691 3.529 -0.209 1.00 0.00 N ATOM 908 CA LEU A 559 -15.478 2.494 0.448 1.00 0.00 C ATOM 909 C LEU A 559 -16.888 2.403 -0.137 1.00 0.00 C ATOM 910 O LEU A 559 -17.611 1.437 0.113 1.00 0.00 O ATOM 911 CB LEU A 559 -15.544 2.791 1.942 1.00 0.00 C ATOM 912 CG LEU A 559 -14.440 2.163 2.804 1.00 0.00 C ATOM 913 CD1 LEU A 559 -14.931 0.888 3.464 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.199 1.856 1.987 1.00 0.00 C ATOM 0 H LEU A 559 -14.421 4.301 0.401 1.00 0.00 H new ATOM 0 HA LEU A 559 -14.994 1.532 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -15.513 3.872 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -16.509 2.450 2.318 1.00 0.00 H new ATOM 0 HG LEU A 559 -14.181 2.893 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -14.132 0.461 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -15.787 1.114 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -15.227 0.172 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -12.440 1.413 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -13.452 1.157 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -12.813 2.778 1.552 1.00 0.00 H new ATOM 926 N GLY A 560 -17.277 3.417 -0.901 1.00 0.00 N ATOM 927 CA GLY A 560 -18.574 3.406 -1.546 1.00 0.00 C ATOM 928 C GLY A 560 -18.496 2.968 -3.000 1.00 0.00 C ATOM 929 O GLY A 560 -19.492 2.528 -3.575 1.00 0.00 O ATOM 0 H GLY A 560 -16.715 4.248 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.241 2.736 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -19.011 4.403 -1.493 1.00 0.00 H new ATOM 933 N ASP A 561 -17.312 3.090 -3.593 1.00 0.00 N ATOM 934 CA ASP A 561 -17.095 2.710 -4.986 1.00 0.00 C ATOM 935 C ASP A 561 -15.794 1.925 -5.140 1.00 0.00 C ATOM 936 O ASP A 561 -14.705 2.443 -4.888 1.00 0.00 O ATOM 937 CB ASP A 561 -17.062 3.951 -5.870 1.00 0.00 C ATOM 938 CG ASP A 561 -16.992 3.606 -7.342 1.00 0.00 C ATOM 939 OD1 ASP A 561 -18.040 3.262 -7.926 1.00 0.00 O1- ATOM 940 OD2 ASP A 561 -15.896 3.675 -7.923 1.00 0.00 O ATOM 0 H ASP A 561 -16.481 3.452 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 561 -17.921 2.071 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -17.952 4.552 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -16.201 4.563 -5.601 1.00 0.00 H new ATOM 945 N ALA A 562 -15.915 0.690 -5.599 1.00 0.00 N ATOM 946 CA ALA A 562 -14.790 -0.232 -5.643 1.00 0.00 C ATOM 947 C ALA A 562 -13.826 0.187 -6.733 1.00 0.00 C ATOM 948 O ALA A 562 -12.612 0.042 -6.601 1.00 0.00 O ATOM 949 CB ALA A 562 -15.279 -1.653 -5.875 1.00 0.00 C ATOM 0 H ALA A 562 -16.790 0.299 -5.950 1.00 0.00 H new ATOM 0 HA ALA A 562 -14.269 -0.204 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -14.426 -2.331 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -15.946 -1.945 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -15.816 -1.703 -6.822 1.00 0.00 H new ATOM 955 N LYS A 563 -14.387 0.732 -7.801 1.00 0.00 N ATOM 956 CA LYS A 563 -13.620 1.251 -8.909 1.00 0.00 C ATOM 957 C LYS A 563 -12.691 2.360 -8.429 1.00 0.00 C ATOM 958 O LYS A 563 -11.520 2.408 -8.803 1.00 0.00 O ATOM 959 CB LYS A 563 -14.599 1.771 -9.971 1.00 0.00 C ATOM 960 CG LYS A 563 -13.974 2.151 -11.299 1.00 0.00 C ATOM 961 CD LYS A 563 -13.337 3.535 -11.264 1.00 0.00 C ATOM 962 CE LYS A 563 -13.094 4.084 -12.662 1.00 0.00 C ATOM 963 NZ LYS A 563 -12.205 3.211 -13.468 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.396 0.825 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 563 -12.999 0.467 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -15.355 1.006 -10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -15.116 2.642 -9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -13.218 1.412 -11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -14.736 2.124 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -13.983 4.218 -10.713 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.391 3.486 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -14.049 4.198 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -12.652 5.077 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -12.043 3.645 -14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.295 3.094 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -12.653 2.281 -13.593 1.00 0.00 H new ATOM 977 N GLU A 564 -13.219 3.235 -7.583 1.00 0.00 N ATOM 978 CA GLU A 564 -12.459 4.388 -7.114 1.00 0.00 C ATOM 979 C GLU A 564 -11.431 3.963 -6.068 1.00 0.00 C ATOM 980 O GLU A 564 -10.324 4.503 -6.011 1.00 0.00 O ATOM 981 CB GLU A 564 -13.396 5.458 -6.544 1.00 0.00 C ATOM 982 CG GLU A 564 -12.735 6.820 -6.373 1.00 0.00 C ATOM 983 CD GLU A 564 -12.297 7.431 -7.691 1.00 0.00 C ATOM 984 OE1 GLU A 564 -13.143 8.049 -8.373 1.00 0.00 O1- ATOM 985 OE2 GLU A 564 -11.109 7.299 -8.054 1.00 0.00 O ATOM 0 H GLU A 564 -14.166 3.170 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 564 -11.928 4.816 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -14.258 5.562 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -13.772 5.122 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -13.431 7.497 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -11.869 6.719 -5.719 1.00 0.00 H new ATOM 992 N LEU A 565 -11.785 2.975 -5.256 1.00 0.00 N ATOM 993 CA LEU A 565 -10.893 2.454 -4.259 1.00 0.00 C ATOM 994 C LEU A 565 -9.745 1.721 -4.930 1.00 0.00 C ATOM 995 O LEU A 565 -8.578 1.911 -4.582 1.00 0.00 O ATOM 996 CB LEU A 565 -11.690 1.532 -3.354 1.00 0.00 C ATOM 997 CG LEU A 565 -11.079 1.258 -1.999 1.00 0.00 C ATOM 998 CD1 LEU A 565 -12.171 0.815 -1.066 1.00 0.00 C ATOM 999 CD2 LEU A 565 -10.007 0.203 -2.112 1.00 0.00 C ATOM 0 H LEU A 565 -12.698 2.521 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 565 -10.462 3.258 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -12.680 1.964 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -11.831 0.581 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 565 -10.612 2.162 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -11.749 0.612 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -12.921 1.602 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -12.636 -0.091 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -9.576 0.016 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -10.443 -0.718 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -9.227 0.548 -2.791 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.088 0.902 -5.914 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.101 0.171 -6.686 1.00 0.00 C ATOM 1013 C ALA A 566 -8.216 1.132 -7.467 1.00 0.00 C ATOM 1014 O ALA A 566 -7.047 0.853 -7.714 1.00 0.00 O ATOM 1015 CB ALA A 566 -9.788 -0.803 -7.628 1.00 0.00 C ATOM 0 H ALA A 566 -11.053 0.728 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 566 -8.471 -0.394 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.037 -1.346 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -10.383 -1.510 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.438 -0.253 -8.309 1.00 0.00 H new ATOM 1021 N ASN A 567 -8.786 2.271 -7.843 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.053 3.310 -8.560 1.00 0.00 C ATOM 1023 C ASN A 567 -6.815 3.733 -7.771 1.00 0.00 C ATOM 1024 O ASN A 567 -5.718 3.852 -8.314 1.00 0.00 O ATOM 1025 CB ASN A 567 -8.965 4.516 -8.815 1.00 0.00 C ATOM 1026 CG ASN A 567 -8.267 5.659 -9.532 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -7.354 5.450 -10.330 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -8.706 6.878 -9.261 1.00 0.00 N ATOM 0 H ASN A 567 -9.763 2.500 -7.661 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.726 2.909 -9.519 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -9.822 4.195 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -9.352 4.877 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -8.285 7.686 -9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -9.465 7.010 -8.593 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.007 3.927 -6.488 1.00 0.00 N ATOM 1036 CA ILE A 568 -5.939 4.361 -5.599 1.00 0.00 C ATOM 1037 C ILE A 568 -5.126 3.175 -5.082 1.00 0.00 C ATOM 1038 O ILE A 568 -3.934 3.065 -5.362 1.00 0.00 O ATOM 1039 CB ILE A 568 -6.494 5.161 -4.403 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -7.273 6.382 -4.905 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -5.365 5.592 -3.468 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -7.861 7.228 -3.796 1.00 0.00 C ATOM 0 H ILE A 568 -7.905 3.790 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.286 5.008 -6.185 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.171 4.519 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -6.610 7.001 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -8.078 6.045 -5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -5.780 6.155 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -4.848 4.710 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -4.660 6.220 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.397 8.073 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -8.550 6.625 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -7.060 7.596 -3.155 1.00 0.00 H new ATOM 1054 N LEU A 569 -5.789 2.284 -4.340 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.114 1.187 -3.642 1.00 0.00 C ATOM 1056 C LEU A 569 -4.261 0.319 -4.586 1.00 0.00 C ATOM 1057 O LEU A 569 -3.184 -0.141 -4.209 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.163 0.331 -2.924 1.00 0.00 C ATOM 1059 CG LEU A 569 -5.680 -0.418 -1.674 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -6.870 -0.849 -0.843 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -4.837 -1.627 -2.047 1.00 0.00 C ATOM 0 H LEU A 569 -6.800 2.302 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 569 -4.425 1.622 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -6.995 0.975 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -6.554 -0.399 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 569 -5.056 0.259 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -6.522 -1.380 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -7.439 0.030 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -7.507 -1.507 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -4.510 -2.136 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -5.430 -2.311 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -3.965 -1.302 -2.615 1.00 0.00 H new ATOM 1073 N LYS A 570 -4.725 0.119 -5.817 1.00 0.00 N ATOM 1074 CA LYS A 570 -4.044 -0.778 -6.754 1.00 0.00 C ATOM 1075 C LYS A 570 -2.735 -0.160 -7.257 1.00 0.00 C ATOM 1076 O LYS A 570 -1.914 -0.835 -7.873 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.968 -1.128 -7.926 1.00 0.00 C ATOM 1078 CG LYS A 570 -4.582 -2.400 -8.670 1.00 0.00 C ATOM 1079 CD LYS A 570 -5.693 -2.862 -9.601 1.00 0.00 C ATOM 1080 CE LYS A 570 -5.800 -1.995 -10.848 1.00 0.00 C ATOM 1081 NZ LYS A 570 -4.802 -2.379 -11.886 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.565 0.562 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.795 -1.698 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.986 -1.235 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -4.973 -0.296 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -3.673 -2.224 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -4.357 -3.188 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -5.511 -3.896 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -6.643 -2.844 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -6.804 -2.080 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -5.655 -0.950 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -4.757 -1.639 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -3.866 -2.487 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -5.085 -3.279 -12.323 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.549 1.126 -6.997 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.318 1.812 -7.370 1.00 0.00 C ATOM 1097 C TYR A 571 -0.287 1.711 -6.250 1.00 0.00 C ATOM 1098 O TYR A 571 0.905 1.869 -6.484 1.00 0.00 O ATOM 1099 CB TYR A 571 -1.617 3.273 -7.735 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.409 4.189 -7.797 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.483 4.119 -8.857 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.174 5.136 -6.805 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.573 4.964 -8.930 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.913 5.982 -6.874 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.782 5.892 -7.937 1.00 0.00 C ATOM 1106 OH TYR A 571 2.866 6.735 -8.004 1.00 0.00 O ATOM 0 H TYR A 571 -3.235 1.717 -6.528 1.00 0.00 H new ATOM 0 HA TYR A 571 -0.893 1.327 -8.249 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.117 3.293 -8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.320 3.675 -7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.322 3.391 -9.639 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -0.853 5.210 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 571 2.258 4.896 -9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 571 1.082 6.712 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 571 3.361 6.699 -7.159 1.00 0.00 H new ATOM 1116 N HIS A 572 -0.746 1.401 -5.043 1.00 0.00 N ATOM 1117 CA HIS A 572 0.156 1.219 -3.903 1.00 0.00 C ATOM 1118 C HIS A 572 0.908 -0.097 -4.042 1.00 0.00 C ATOM 1119 O HIS A 572 1.885 -0.353 -3.338 1.00 0.00 O ATOM 1120 CB HIS A 572 -0.619 1.206 -2.582 1.00 0.00 C ATOM 1121 CG HIS A 572 -1.341 2.480 -2.263 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.337 3.553 -3.119 1.00 0.00 N ATOM 1123 CD2 HIS A 572 -2.078 2.787 -1.172 1.00 0.00 C ATOM 1124 CE1 HIS A 572 -2.070 4.482 -2.538 1.00 0.00 C ATOM 1125 NE2 HIS A 572 -2.551 4.062 -1.353 1.00 0.00 N ATOM 0 H HIS A 572 -1.734 1.270 -4.825 1.00 0.00 H new ATOM 0 HA HIS A 572 0.856 2.054 -3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -1.343 0.392 -2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 572 0.076 0.986 -1.772 1.00 0.00 H new ATOM 0 HD1 HIS A 572 -0.864 3.618 -4.020 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -2.260 2.149 -0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -2.261 5.458 -2.960 1.00 0.00 H new ATOM 1133 N ILE A 573 0.421 -0.930 -4.946 1.00 0.00 N ATOM 1134 CA ILE A 573 0.983 -2.247 -5.171 1.00 0.00 C ATOM 1135 C ILE A 573 1.861 -2.257 -6.422 1.00 0.00 C ATOM 1136 O ILE A 573 1.403 -1.926 -7.519 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.138 -3.298 -5.316 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.065 -3.253 -4.095 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.460 -4.687 -5.491 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.261 -4.177 -4.196 1.00 0.00 C ATOM 0 H ILE A 573 -0.376 -0.710 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 573 1.598 -2.499 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 573 -0.727 -3.067 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.491 -3.514 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.419 -2.231 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.342 -5.418 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 573 1.082 -4.705 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 573 1.068 -4.934 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.867 -4.087 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -2.860 -3.903 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -1.918 -5.206 -4.301 1.00 0.00 H new ATOM 1152 N GLY A 574 3.124 -2.623 -6.239 1.00 0.00 N ATOM 1153 CA GLY A 574 4.060 -2.690 -7.345 1.00 0.00 C ATOM 1154 C GLY A 574 3.995 -4.007 -8.093 1.00 0.00 C ATOM 1155 O GLY A 574 3.457 -4.992 -7.586 1.00 0.00 O ATOM 0 H GLY A 574 3.520 -2.877 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.855 -1.874 -8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 574 5.072 -2.542 -6.968 1.00 0.00 H new ATOM 1159 N ASP A 575 4.572 -4.015 -9.289 1.00 0.00 N ATOM 1160 CA ASP A 575 4.527 -5.167 -10.193 1.00 0.00 C ATOM 1161 C ASP A 575 5.288 -6.367 -9.632 1.00 0.00 C ATOM 1162 O ASP A 575 4.899 -7.515 -9.843 1.00 0.00 O ATOM 1163 CB ASP A 575 5.119 -4.769 -11.551 1.00 0.00 C ATOM 1164 CG ASP A 575 4.856 -5.787 -12.651 1.00 0.00 C ATOM 1165 OD1 ASP A 575 5.579 -6.801 -12.733 1.00 0.00 O1- ATOM 1166 OD2 ASP A 575 3.935 -5.556 -13.465 1.00 0.00 O ATOM 0 H ASP A 575 5.088 -3.220 -9.665 1.00 0.00 H new ATOM 0 HA ASP A 575 3.484 -5.464 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 575 4.704 -3.807 -11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 575 6.195 -4.633 -11.443 1.00 0.00 H new ATOM 1171 N GLU A 576 6.356 -6.091 -8.903 1.00 0.00 N ATOM 1172 CA GLU A 576 7.243 -7.133 -8.424 1.00 0.00 C ATOM 1173 C GLU A 576 7.805 -6.759 -7.078 1.00 0.00 C ATOM 1174 O GLU A 576 7.464 -5.711 -6.537 1.00 0.00 O ATOM 1175 CB GLU A 576 8.377 -7.370 -9.420 1.00 0.00 C ATOM 1176 CG GLU A 576 9.285 -6.164 -9.623 1.00 0.00 C ATOM 1177 CD GLU A 576 10.470 -6.476 -10.517 1.00 0.00 C ATOM 1178 OE1 GLU A 576 11.360 -7.237 -10.081 1.00 0.00 O1- ATOM 1179 OE2 GLU A 576 10.510 -5.970 -11.656 1.00 0.00 O ATOM 0 H GLU A 576 6.629 -5.147 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 576 6.671 -8.055 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 576 8.979 -8.211 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 576 7.949 -7.656 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.709 -5.348 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.645 -5.817 -8.655 1.00 0.00 H new ATOM 1186 N ILE A 577 8.662 -7.612 -6.539 1.00 0.00 N ATOM 1187 CA ILE A 577 9.182 -7.407 -5.204 1.00 0.00 C ATOM 1188 C ILE A 577 10.352 -6.425 -5.214 1.00 0.00 C ATOM 1189 O ILE A 577 11.432 -6.732 -5.723 1.00 0.00 O ATOM 1190 CB ILE A 577 9.636 -8.736 -4.563 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.580 -9.824 -4.782 1.00 0.00 C ATOM 1192 CG2 ILE A 577 9.910 -8.548 -3.081 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.944 -11.155 -4.163 1.00 0.00 C ATOM 0 H ILE A 577 9.009 -8.449 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 577 8.370 -6.990 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 577 10.561 -9.052 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.631 -9.486 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 577 8.428 -9.960 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 577 10.229 -9.496 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.696 -7.805 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 577 9.002 -8.208 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 577 8.150 -11.876 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.877 -11.515 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 577 9.068 -11.034 -3.087 1.00 0.00 H new ATOM 1205 N LEU A 578 10.124 -5.248 -4.658 1.00 0.00 N ATOM 1206 CA LEU A 578 11.156 -4.236 -4.540 1.00 0.00 C ATOM 1207 C LEU A 578 11.394 -3.964 -3.062 1.00 0.00 C ATOM 1208 O LEU A 578 10.678 -3.184 -2.437 1.00 0.00 O ATOM 1209 CB LEU A 578 10.736 -2.953 -5.279 1.00 0.00 C ATOM 1210 CG LEU A 578 11.873 -2.014 -5.717 1.00 0.00 C ATOM 1211 CD1 LEU A 578 12.541 -1.336 -4.528 1.00 0.00 C ATOM 1212 CD2 LEU A 578 12.902 -2.772 -6.542 1.00 0.00 C ATOM 0 H LEU A 578 9.220 -4.968 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 578 12.081 -4.587 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.168 -3.239 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.059 -2.393 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 578 11.430 -1.232 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 578 13.338 -0.682 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 578 11.803 -0.747 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 578 12.961 -2.093 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 578 13.699 -2.092 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 578 13.322 -3.582 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 578 12.423 -3.186 -7.429 1.00 0.00 H new ATOM 1224 N VAL A 579 12.378 -4.645 -2.503 1.00 0.00 N ATOM 1225 CA VAL A 579 12.650 -4.563 -1.076 1.00 0.00 C ATOM 1226 C VAL A 579 13.477 -3.330 -0.736 1.00 0.00 C ATOM 1227 O VAL A 579 13.959 -2.630 -1.626 1.00 0.00 O ATOM 1228 CB VAL A 579 13.376 -5.827 -0.576 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.460 -7.035 -0.691 1.00 0.00 C ATOM 1230 CG2 VAL A 579 14.669 -6.052 -1.349 1.00 0.00 C ATOM 0 H VAL A 579 13.005 -5.264 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 579 11.687 -4.485 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 579 13.636 -5.686 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 579 12.982 -7.923 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 579 11.567 -6.873 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.173 -7.176 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.163 -6.950 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.443 -6.174 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.327 -5.194 -1.215 1.00 0.00 H new ATOM 1240 N SER A 580 13.641 -3.079 0.556 1.00 0.00 N ATOM 1241 CA SER A 580 14.410 -1.937 1.033 1.00 0.00 C ATOM 1242 C SER A 580 15.876 -2.034 0.611 1.00 0.00 C ATOM 1243 O SER A 580 16.585 -1.029 0.574 1.00 0.00 O ATOM 1244 CB SER A 580 14.297 -1.821 2.551 1.00 0.00 C ATOM 1245 OG SER A 580 12.937 -1.834 2.950 1.00 0.00 O ATOM 0 H SER A 580 13.248 -3.657 1.299 1.00 0.00 H new ATOM 0 HA SER A 580 13.994 -1.038 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 580 14.829 -2.646 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 580 14.772 -0.900 2.888 1.00 0.00 H new ATOM 0 HG SER A 580 12.363 -1.817 2.156 1.00 0.00 H new ATOM 1251 N GLY A 581 16.324 -3.242 0.283 1.00 0.00 N ATOM 1252 CA GLY A 581 17.647 -3.414 -0.289 1.00 0.00 C ATOM 1253 C GLY A 581 17.731 -2.817 -1.682 1.00 0.00 C ATOM 1254 O GLY A 581 18.814 -2.651 -2.239 1.00 0.00 O ATOM 0 H GLY A 581 15.794 -4.105 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.388 -2.942 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 581 17.891 -4.475 -0.331 1.00 0.00 H new ATOM 1258 N GLY A 582 16.572 -2.502 -2.240 1.00 0.00 N ATOM 1259 CA GLY A 582 16.513 -1.819 -3.508 1.00 0.00 C ATOM 1260 C GLY A 582 16.175 -0.348 -3.337 1.00 0.00 C ATOM 1261 O GLY A 582 16.416 0.460 -4.234 1.00 0.00 O ATOM 0 H GLY A 582 15.663 -2.712 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.471 -1.916 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 582 15.764 -2.293 -4.143 1.00 0.00 H new ATOM 1265 N ILE A 583 15.596 -0.012 -2.188 1.00 0.00 N ATOM 1266 CA ILE A 583 15.251 1.366 -1.857 1.00 0.00 C ATOM 1267 C ILE A 583 16.507 2.156 -1.489 1.00 0.00 C ATOM 1268 O ILE A 583 16.931 2.178 -0.333 1.00 0.00 O ATOM 1269 CB ILE A 583 14.239 1.403 -0.685 1.00 0.00 C ATOM 1270 CG1 ILE A 583 12.991 0.603 -1.058 1.00 0.00 C ATOM 1271 CG2 ILE A 583 13.865 2.837 -0.308 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.033 0.415 0.091 1.00 0.00 C ATOM 0 H ILE A 583 15.353 -0.686 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 583 14.791 1.825 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 583 14.711 0.951 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.474 1.110 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.294 -0.375 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.153 2.822 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 583 14.761 3.379 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 583 13.414 3.333 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.171 -0.161 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 583 12.534 -0.119 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 583 11.701 1.389 0.451 1.00 0.00 H new ATOM 1284 N GLY A 584 17.122 2.767 -2.491 1.00 0.00 N ATOM 1285 CA GLY A 584 18.317 3.550 -2.265 1.00 0.00 C ATOM 1286 C GLY A 584 18.028 5.035 -2.274 1.00 0.00 C ATOM 1287 O GLY A 584 17.172 5.505 -1.528 1.00 0.00 O ATOM 0 H GLY A 584 16.811 2.733 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 584 18.758 3.272 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 584 19.054 3.319 -3.034 1.00 0.00 H new ATOM 1291 N ALA A 585 18.722 5.771 -3.134 1.00 0.00 N ATOM 1292 CA ALA A 585 18.543 7.212 -3.229 1.00 0.00 C ATOM 1293 C ALA A 585 17.152 7.536 -3.755 1.00 0.00 C ATOM 1294 O ALA A 585 16.367 8.219 -3.097 1.00 0.00 O ATOM 1295 CB ALA A 585 19.610 7.818 -4.134 1.00 0.00 C ATOM 0 H ALA A 585 19.416 5.390 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 585 18.647 7.645 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.465 8.896 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.598 7.608 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.532 7.383 -5.130 1.00 0.00 H new ATOM 1301 N LEU A 586 16.856 7.020 -4.935 1.00 0.00 N ATOM 1302 CA LEU A 586 15.556 7.201 -5.552 1.00 0.00 C ATOM 1303 C LEU A 586 15.307 6.088 -6.553 1.00 0.00 C ATOM 1304 O LEU A 586 16.008 5.979 -7.557 1.00 0.00 O ATOM 1305 CB LEU A 586 15.477 8.558 -6.252 1.00 0.00 C ATOM 1306 CG LEU A 586 14.120 8.886 -6.880 1.00 0.00 C ATOM 1307 CD1 LEU A 586 13.040 8.988 -5.814 1.00 0.00 C ATOM 1308 CD2 LEU A 586 14.204 10.172 -7.686 1.00 0.00 C ATOM 0 H LEU A 586 17.508 6.466 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 586 14.792 7.168 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.724 9.337 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 586 16.238 8.593 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 586 13.851 8.074 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 586 12.085 9.222 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 586 12.961 8.039 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 586 13.299 9.777 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 586 13.231 10.390 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 586 14.499 10.993 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 586 14.943 10.057 -8.479 1.00 0.00 H new ATOM 1320 N VAL A 587 14.326 5.257 -6.271 1.00 0.00 N ATOM 1321 CA VAL A 587 14.001 4.145 -7.142 1.00 0.00 C ATOM 1322 C VAL A 587 12.498 4.100 -7.397 1.00 0.00 C ATOM 1323 O VAL A 587 11.695 4.230 -6.473 1.00 0.00 O ATOM 1324 CB VAL A 587 14.497 2.806 -6.547 1.00 0.00 C ATOM 1325 CG1 VAL A 587 13.841 2.526 -5.205 1.00 0.00 C ATOM 1326 CG2 VAL A 587 14.255 1.657 -7.514 1.00 0.00 C ATOM 0 H VAL A 587 13.737 5.330 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 587 14.513 4.294 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 587 15.571 2.893 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 587 14.209 1.579 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 587 14.083 3.328 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 587 12.760 2.471 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 587 14.613 0.727 -7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 587 13.188 1.574 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 587 14.791 1.845 -8.444 1.00 0.00 H new ATOM 1336 N ARG A 588 12.114 3.958 -8.652 1.00 0.00 N ATOM 1337 CA ARG A 588 10.707 3.917 -8.995 1.00 0.00 C ATOM 1338 C ARG A 588 10.313 2.542 -9.500 1.00 0.00 C ATOM 1339 O ARG A 588 10.934 1.992 -10.409 1.00 0.00 O ATOM 1340 CB ARG A 588 10.360 5.001 -10.017 1.00 0.00 C ATOM 1341 CG ARG A 588 10.623 6.411 -9.503 1.00 0.00 C ATOM 1342 CD ARG A 588 9.975 7.466 -10.386 1.00 0.00 C ATOM 1343 NE ARG A 588 8.512 7.417 -10.315 1.00 0.00 N ATOM 1344 CZ ARG A 588 7.710 8.426 -10.665 1.00 0.00 C ATOM 1345 NH1 ARG A 588 8.220 9.588 -11.058 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 6.393 8.281 -10.598 1.00 0.00 N ATOM 0 H ARG A 588 12.751 3.870 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 588 10.133 4.118 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 588 10.942 4.837 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 588 9.309 4.911 -10.291 1.00 0.00 H new ATOM 0 HG2 ARG A 588 10.241 6.504 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 588 11.698 6.586 -9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 588 10.320 8.455 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 588 10.293 7.320 -11.418 1.00 0.00 H new ATOM 0 HE ARG A 588 8.079 6.558 -9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.231 9.715 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 588 7.600 10.353 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 588 5.993 7.399 -10.279 1.00 0.00 H new ATOM 0 HH22 ARG A 588 5.781 9.052 -10.865 1.00 0.00 H new ATOM 1360 N LEU A 589 9.280 2.003 -8.881 1.00 0.00 N ATOM 1361 CA LEU A 589 8.799 0.667 -9.170 1.00 0.00 C ATOM 1362 C LEU A 589 7.424 0.740 -9.817 1.00 0.00 C ATOM 1363 O LEU A 589 6.518 1.372 -9.281 1.00 0.00 O ATOM 1364 CB LEU A 589 8.723 -0.127 -7.867 1.00 0.00 C ATOM 1365 CG LEU A 589 7.927 -1.431 -7.932 1.00 0.00 C ATOM 1366 CD1 LEU A 589 8.696 -2.499 -8.686 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.585 -1.905 -6.532 1.00 0.00 C ATOM 0 H LEU A 589 8.747 2.485 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 589 9.483 0.172 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 589 9.738 -0.358 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 589 8.281 0.509 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 589 7.000 -1.242 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 589 8.108 -3.416 -8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 589 8.891 -2.157 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 589 9.642 -2.692 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 589 7.018 -2.834 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 589 8.504 -2.075 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 589 6.987 -1.147 -6.027 1.00 0.00 H new ATOM 1379 N LYS A 590 7.271 0.104 -10.961 1.00 0.00 N ATOM 1380 CA LYS A 590 6.002 0.126 -11.670 1.00 0.00 C ATOM 1381 C LYS A 590 4.921 -0.538 -10.825 1.00 0.00 C ATOM 1382 O LYS A 590 5.175 -1.531 -10.147 1.00 0.00 O ATOM 1383 CB LYS A 590 6.128 -0.569 -13.028 1.00 0.00 C ATOM 1384 CG LYS A 590 4.932 -0.346 -13.945 1.00 0.00 C ATOM 1385 CD LYS A 590 4.159 -1.633 -14.204 1.00 0.00 C ATOM 1386 CE LYS A 590 4.948 -2.596 -15.072 1.00 0.00 C ATOM 1387 NZ LYS A 590 4.144 -3.785 -15.453 1.00 0.00 N1+ ATOM 0 H LYS A 590 8.006 -0.434 -11.421 1.00 0.00 H new ATOM 0 HA LYS A 590 5.720 1.164 -11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 590 7.029 -0.211 -13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 590 6.257 -1.639 -12.868 1.00 0.00 H new ATOM 0 HG2 LYS A 590 4.266 0.392 -13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 590 5.275 0.067 -14.893 1.00 0.00 H new ATOM 0 HD2 LYS A 590 3.920 -2.111 -13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.212 -1.397 -14.690 1.00 0.00 H new ATOM 0 HE2 LYS A 590 5.284 -2.081 -15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 590 5.841 -2.918 -14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 4.505 -4.177 -16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 4.214 -4.505 -14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 3.149 -3.507 -15.574 1.00 0.00 H new ATOM 1401 N SER A 591 3.734 0.034 -10.856 1.00 0.00 N ATOM 1402 CA SER A 591 2.634 -0.432 -10.028 1.00 0.00 C ATOM 1403 C SER A 591 1.637 -1.233 -10.856 1.00 0.00 C ATOM 1404 O SER A 591 1.847 -1.471 -12.044 1.00 0.00 O ATOM 1405 CB SER A 591 1.918 0.762 -9.403 1.00 0.00 C ATOM 1406 OG SER A 591 1.227 1.490 -10.403 1.00 0.00 O ATOM 0 H SER A 591 3.503 0.830 -11.451 1.00 0.00 H new ATOM 0 HA SER A 591 3.041 -1.073 -9.246 1.00 0.00 H new ATOM 0 HB2 SER A 591 1.217 0.419 -8.642 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.640 1.409 -8.904 1.00 0.00 H new ATOM 0 HG SER A 591 1.867 1.825 -11.065 1.00 0.00 H new ATOM 1412 N LEU A 592 0.538 -1.610 -10.225 1.00 0.00 N ATOM 1413 CA LEU A 592 -0.535 -2.317 -10.908 1.00 0.00 C ATOM 1414 C LEU A 592 -1.433 -1.344 -11.662 1.00 0.00 C ATOM 1415 O LEU A 592 -1.856 -1.617 -12.782 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.394 -3.095 -9.916 1.00 0.00 C ATOM 1417 CG LEU A 592 -0.669 -4.120 -9.049 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -1.668 -4.823 -8.145 1.00 0.00 C ATOM 1419 CD2 LEU A 592 0.079 -5.131 -9.904 1.00 0.00 C ATOM 0 H LEU A 592 0.364 -1.438 -9.235 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.068 -3.008 -11.610 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -1.889 -2.380 -9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.177 -3.611 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 592 0.065 -3.598 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 592 -1.147 -5.555 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -2.158 -4.090 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 592 -2.416 -5.330 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 592 0.586 -5.849 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -0.627 -5.657 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 592 0.815 -4.613 -10.519 1.00 0.00 H new ATOM 1431 N GLN A 593 -1.745 -0.216 -11.023 1.00 0.00 N ATOM 1432 CA GLN A 593 -2.665 0.765 -11.601 1.00 0.00 C ATOM 1433 C GLN A 593 -2.117 1.318 -12.917 1.00 0.00 C ATOM 1434 O GLN A 593 -2.873 1.693 -13.811 1.00 0.00 O ATOM 1435 CB GLN A 593 -2.930 1.900 -10.610 1.00 0.00 C ATOM 1436 CG GLN A 593 -3.959 2.897 -11.108 1.00 0.00 C ATOM 1437 CD GLN A 593 -5.296 2.241 -11.409 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -6.179 2.202 -10.429 1.00 0.00 O flip ATOM 1439 NE2 GLN A 593 -5.536 1.774 -12.521 1.00 0.00 N flip ATOM 0 H GLN A 593 -1.376 0.041 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 593 -3.609 0.262 -11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.271 1.477 -9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -1.995 2.423 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -4.099 3.676 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -3.584 3.384 -12.008 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -4.831 1.821 -13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -6.440 1.340 -12.708 1.00 0.00 H new ATOM 1448 N GLY A 594 -0.801 1.352 -13.029 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.186 1.580 -14.329 1.00 0.00 C ATOM 1450 C GLY A 594 0.822 2.710 -14.358 1.00 0.00 C ATOM 1451 O GLY A 594 1.247 3.134 -15.430 1.00 0.00 O ATOM 0 H GLY A 594 -0.148 1.228 -12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 594 0.307 0.662 -14.650 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -0.970 1.791 -15.056 1.00 0.00 H new ATOM 1455 N ASP A 595 1.214 3.202 -13.197 1.00 0.00 N ATOM 1456 CA ASP A 595 2.295 4.175 -13.128 1.00 0.00 C ATOM 1457 C ASP A 595 3.447 3.571 -12.324 1.00 0.00 C ATOM 1458 O ASP A 595 3.555 2.345 -12.245 1.00 0.00 O ATOM 1459 CB ASP A 595 1.800 5.493 -12.520 1.00 0.00 C ATOM 1460 CG ASP A 595 2.731 6.651 -12.830 1.00 0.00 C ATOM 1461 OD1 ASP A 595 2.613 7.242 -13.922 1.00 0.00 O1- ATOM 1462 OD2 ASP A 595 3.603 6.957 -11.992 1.00 0.00 O ATOM 0 H ASP A 595 0.807 2.949 -12.297 1.00 0.00 H new ATOM 0 HA ASP A 595 2.652 4.409 -14.131 1.00 0.00 H new ATOM 0 HB2 ASP A 595 0.804 5.717 -12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 595 1.709 5.381 -11.440 1.00 0.00 H new ATOM 1467 N LYS A 596 4.305 4.394 -11.739 1.00 0.00 N ATOM 1468 CA LYS A 596 5.464 3.884 -11.017 1.00 0.00 C ATOM 1469 C LYS A 596 5.661 4.596 -9.677 1.00 0.00 C ATOM 1470 O LYS A 596 5.672 5.825 -9.603 1.00 0.00 O ATOM 1471 CB LYS A 596 6.723 3.989 -11.887 1.00 0.00 C ATOM 1472 CG LYS A 596 6.952 5.369 -12.486 1.00 0.00 C ATOM 1473 CD LYS A 596 8.187 5.398 -13.374 1.00 0.00 C ATOM 1474 CE LYS A 596 8.006 4.538 -14.615 1.00 0.00 C ATOM 1475 NZ LYS A 596 9.268 4.404 -15.389 1.00 0.00 N1+ ATOM 0 H LYS A 596 4.223 5.411 -11.749 1.00 0.00 H new ATOM 0 HA LYS A 596 5.280 2.833 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 596 7.591 3.717 -11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 596 6.655 3.261 -12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 596 6.078 5.663 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 596 7.062 6.100 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 596 8.398 6.425 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 596 9.050 5.045 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 596 7.654 3.549 -14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 596 7.236 4.976 -15.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 9.100 3.810 -16.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 9.592 5.345 -15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 9.996 3.963 -14.792 1.00 0.00 H new ATOM 1489 N LEU A 597 5.840 3.799 -8.631 1.00 0.00 N ATOM 1490 CA LEU A 597 6.014 4.298 -7.270 1.00 0.00 C ATOM 1491 C LEU A 597 7.346 5.021 -7.124 1.00 0.00 C ATOM 1492 O LEU A 597 8.397 4.441 -7.382 1.00 0.00 O ATOM 1493 CB LEU A 597 5.965 3.135 -6.268 1.00 0.00 C ATOM 1494 CG LEU A 597 4.661 2.333 -6.254 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.738 1.175 -5.267 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.501 3.235 -5.893 1.00 0.00 C ATOM 0 H LEU A 597 5.869 2.782 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 597 5.203 4.997 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.788 2.454 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 597 6.138 3.532 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 597 4.507 1.923 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.798 0.624 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 597 5.553 0.509 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.918 1.563 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.578 2.655 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.668 3.664 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.421 4.036 -6.628 1.00 0.00 H new ATOM 1508 N GLU A 598 7.302 6.279 -6.719 1.00 0.00 N ATOM 1509 CA GLU A 598 8.527 7.035 -6.481 1.00 0.00 C ATOM 1510 C GLU A 598 9.004 6.783 -5.058 1.00 0.00 C ATOM 1511 O GLU A 598 8.534 7.426 -4.122 1.00 0.00 O ATOM 1512 CB GLU A 598 8.310 8.536 -6.704 1.00 0.00 C ATOM 1513 CG GLU A 598 9.598 9.341 -6.645 1.00 0.00 C ATOM 1514 CD GLU A 598 9.365 10.839 -6.648 1.00 0.00 C ATOM 1515 OE1 GLU A 598 9.032 11.393 -7.714 1.00 0.00 O1- ATOM 1516 OE2 GLU A 598 9.526 11.470 -5.579 1.00 0.00 O ATOM 0 H GLU A 598 6.441 6.798 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 598 9.283 6.700 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.838 8.688 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 598 7.618 8.913 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 598 10.149 9.067 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 598 10.225 9.075 -7.496 1.00 0.00 H new ATOM 1523 N VAL A 599 9.902 5.822 -4.896 1.00 0.00 N ATOM 1524 CA VAL A 599 10.368 5.418 -3.585 1.00 0.00 C ATOM 1525 C VAL A 599 11.778 5.937 -3.328 1.00 0.00 C ATOM 1526 O VAL A 599 12.648 5.824 -4.189 1.00 0.00 O ATOM 1527 CB VAL A 599 10.367 3.880 -3.447 1.00 0.00 C ATOM 1528 CG1 VAL A 599 10.722 3.456 -2.029 1.00 0.00 C ATOM 1529 CG2 VAL A 599 9.024 3.303 -3.858 1.00 0.00 C ATOM 0 H VAL A 599 10.324 5.305 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 599 9.684 5.845 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 599 11.130 3.484 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 599 10.713 2.368 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 599 11.715 3.827 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 599 9.992 3.868 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 599 9.046 2.218 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.241 3.713 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 599 8.819 3.563 -4.897 1.00 0.00 H new ATOM 1539 N SER A 600 12.012 6.508 -2.152 1.00 0.00 N ATOM 1540 CA SER A 600 13.331 7.023 -1.820 1.00 0.00 C ATOM 1541 C SER A 600 13.676 6.726 -0.367 1.00 0.00 C ATOM 1542 O SER A 600 12.797 6.403 0.423 1.00 0.00 O ATOM 1543 CB SER A 600 13.376 8.530 -2.089 1.00 0.00 C ATOM 1544 OG SER A 600 12.217 9.175 -1.587 1.00 0.00 O ATOM 0 H SER A 600 11.311 6.625 -1.420 1.00 0.00 H new ATOM 0 HA SER A 600 14.072 6.528 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 600 14.264 8.959 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 600 13.459 8.708 -3.161 1.00 0.00 H new ATOM 0 HG SER A 600 12.272 10.136 -1.771 1.00 0.00 H new ATOM 1550 N LEU A 601 14.951 6.797 -0.031 1.00 0.00 N ATOM 1551 CA LEU A 601 15.387 6.653 1.345 1.00 0.00 C ATOM 1552 C LEU A 601 16.268 7.834 1.733 1.00 0.00 C ATOM 1553 O LEU A 601 17.365 8.003 1.207 1.00 0.00 O ATOM 1554 CB LEU A 601 16.152 5.338 1.527 1.00 0.00 C ATOM 1555 CG LEU A 601 16.695 5.087 2.935 1.00 0.00 C ATOM 1556 CD1 LEU A 601 15.554 4.985 3.934 1.00 0.00 C ATOM 1557 CD2 LEU A 601 17.546 3.826 2.960 1.00 0.00 C ATOM 0 H LEU A 601 15.707 6.955 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 601 14.511 6.635 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 601 15.493 4.513 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 601 16.986 5.322 0.826 1.00 0.00 H new ATOM 0 HG LEU A 601 17.324 5.930 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 601 15.958 4.806 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 601 14.986 5.915 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 601 14.899 4.160 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 601 17.924 3.662 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 601 16.940 2.972 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 601 18.384 3.939 2.272 1.00 0.00 H new ATOM 1569 N LYS A 602 15.779 8.657 2.649 1.00 0.00 N ATOM 1570 CA LYS A 602 16.525 9.824 3.094 1.00 0.00 C ATOM 1571 C LYS A 602 16.439 9.965 4.612 1.00 0.00 C ATOM 1572 O LYS A 602 15.346 9.973 5.180 1.00 0.00 O ATOM 1573 CB LYS A 602 16.003 11.094 2.405 1.00 0.00 C ATOM 1574 CG LYS A 602 14.554 11.422 2.730 1.00 0.00 C ATOM 1575 CD LYS A 602 14.070 12.652 1.981 1.00 0.00 C ATOM 1576 CE LYS A 602 12.708 13.110 2.476 1.00 0.00 C ATOM 1577 NZ LYS A 602 12.750 13.495 3.912 1.00 0.00 N1+ ATOM 0 H LYS A 602 14.871 8.538 3.098 1.00 0.00 H new ATOM 0 HA LYS A 602 17.571 9.690 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 602 16.630 11.937 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 602 16.106 10.978 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 602 13.923 10.570 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 602 14.451 11.586 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 602 14.792 13.460 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 602 14.015 12.431 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 602 12.370 13.958 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 602 11.981 12.311 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 11.956 14.132 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 12.677 12.642 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 13.647 13.981 4.115 1.00 0.00 H new ATOM 1591 N ASN A 603 17.601 10.057 5.260 1.00 0.00 N ATOM 1592 CA ASN A 603 17.680 10.203 6.718 1.00 0.00 C ATOM 1593 C ASN A 603 16.908 9.079 7.413 1.00 0.00 C ATOM 1594 O ASN A 603 16.144 9.311 8.348 1.00 0.00 O ATOM 1595 CB ASN A 603 17.151 11.586 7.138 1.00 0.00 C ATOM 1596 CG ASN A 603 17.343 11.896 8.619 1.00 0.00 C ATOM 1597 OD1 ASN A 603 18.374 11.334 9.236 1.00 0.00 O flip ATOM 1598 ND2 ASN A 603 16.562 12.648 9.203 1.00 0.00 N flip ATOM 0 H ASN A 603 18.509 10.033 4.795 1.00 0.00 H new ATOM 0 HA ASN A 603 18.723 10.128 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 603 17.655 12.352 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 603 16.089 11.646 6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 603 15.779 13.063 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 603 16.698 12.856 10.192 1.00 0.00 H new ATOM 1605 N ASN A 604 17.102 7.857 6.907 1.00 0.00 N ATOM 1606 CA ASN A 604 16.493 6.642 7.469 1.00 0.00 C ATOM 1607 C ASN A 604 14.980 6.607 7.216 1.00 0.00 C ATOM 1608 O ASN A 604 14.295 5.653 7.579 1.00 0.00 O ATOM 1609 CB ASN A 604 16.801 6.533 8.972 1.00 0.00 C ATOM 1610 CG ASN A 604 16.425 5.190 9.571 1.00 0.00 C ATOM 1611 OD1 ASN A 604 16.461 4.157 8.900 1.00 0.00 O ATOM 1612 ND2 ASN A 604 16.083 5.195 10.850 1.00 0.00 N ATOM 0 H ASN A 604 17.689 7.679 6.092 1.00 0.00 H new ATOM 0 HA ASN A 604 16.930 5.781 6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 604 17.865 6.707 9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 604 16.266 7.321 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 604 15.837 4.321 11.315 1.00 0.00 H new ATOM 0 HD22 ASN A 604 16.066 6.072 11.370 1.00 0.00 H new ATOM 1619 N VAL A 605 14.464 7.639 6.562 1.00 0.00 N ATOM 1620 CA VAL A 605 13.048 7.713 6.253 1.00 0.00 C ATOM 1621 C VAL A 605 12.805 7.391 4.782 1.00 0.00 C ATOM 1622 O VAL A 605 13.327 8.065 3.892 1.00 0.00 O ATOM 1623 CB VAL A 605 12.462 9.108 6.573 1.00 0.00 C ATOM 1624 CG1 VAL A 605 10.969 9.147 6.282 1.00 0.00 C ATOM 1625 CG2 VAL A 605 12.736 9.484 8.021 1.00 0.00 C ATOM 0 H VAL A 605 15.009 8.437 6.236 1.00 0.00 H new ATOM 0 HA VAL A 605 12.545 6.977 6.880 1.00 0.00 H new ATOM 0 HB VAL A 605 12.952 9.839 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 605 10.579 10.138 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 605 10.798 8.928 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 605 10.459 8.403 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 605 12.316 10.469 8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 605 12.277 8.748 8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 605 13.812 9.505 8.194 1.00 0.00 H new ATOM 1635 N VAL A 606 12.030 6.346 4.534 1.00 0.00 N ATOM 1636 CA VAL A 606 11.653 5.974 3.175 1.00 0.00 C ATOM 1637 C VAL A 606 10.548 6.909 2.689 1.00 0.00 C ATOM 1638 O VAL A 606 9.765 7.402 3.494 1.00 0.00 O ATOM 1639 CB VAL A 606 11.165 4.506 3.112 1.00 0.00 C ATOM 1640 CG1 VAL A 606 10.924 4.060 1.677 1.00 0.00 C ATOM 1641 CG2 VAL A 606 12.162 3.586 3.796 1.00 0.00 C ATOM 0 H VAL A 606 11.648 5.737 5.258 1.00 0.00 H new ATOM 0 HA VAL A 606 12.529 6.065 2.532 1.00 0.00 H new ATOM 0 HB VAL A 606 10.214 4.448 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 606 10.582 3.025 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.165 4.696 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 606 11.852 4.140 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 606 11.804 2.558 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 606 13.128 3.660 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 606 12.270 3.879 4.840 1.00 0.00 H new ATOM 1651 N SER A 607 10.504 7.187 1.396 1.00 0.00 N ATOM 1652 CA SER A 607 9.474 8.055 0.853 1.00 0.00 C ATOM 1653 C SER A 607 8.957 7.555 -0.489 1.00 0.00 C ATOM 1654 O SER A 607 9.673 7.559 -1.484 1.00 0.00 O ATOM 1655 CB SER A 607 9.988 9.493 0.748 1.00 0.00 C ATOM 1656 OG SER A 607 10.401 9.974 2.020 1.00 0.00 O ATOM 0 H SER A 607 11.165 6.827 0.708 1.00 0.00 H new ATOM 0 HA SER A 607 8.630 8.039 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 607 10.823 9.536 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 607 9.204 10.136 0.348 1.00 0.00 H new ATOM 0 HG SER A 607 10.270 10.944 2.061 1.00 0.00 H new ATOM 1662 N VAL A 608 7.701 7.126 -0.491 1.00 0.00 N ATOM 1663 CA VAL A 608 7.052 6.600 -1.677 1.00 0.00 C ATOM 1664 C VAL A 608 5.870 7.482 -2.064 1.00 0.00 C ATOM 1665 O VAL A 608 5.110 7.914 -1.207 1.00 0.00 O ATOM 1666 CB VAL A 608 6.564 5.153 -1.451 1.00 0.00 C ATOM 1667 CG1 VAL A 608 5.620 5.083 -0.261 1.00 0.00 C ATOM 1668 CG2 VAL A 608 5.894 4.602 -2.701 1.00 0.00 C ATOM 0 H VAL A 608 7.104 7.135 0.336 1.00 0.00 H new ATOM 0 HA VAL A 608 7.784 6.596 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 608 7.435 4.534 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.288 4.054 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.139 5.423 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 608 4.756 5.721 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.560 3.581 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 608 5.036 5.224 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 608 6.605 4.606 -3.527 1.00 0.00 H new ATOM 1678 N ASN A 609 5.745 7.777 -3.355 1.00 0.00 N ATOM 1679 CA ASN A 609 4.635 8.584 -3.876 1.00 0.00 C ATOM 1680 C ASN A 609 4.539 9.907 -3.121 1.00 0.00 C ATOM 1681 O ASN A 609 3.451 10.446 -2.915 1.00 0.00 O ATOM 1682 CB ASN A 609 3.313 7.811 -3.785 1.00 0.00 C ATOM 1683 CG ASN A 609 3.321 6.532 -4.579 1.00 0.00 C ATOM 1684 OD1 ASN A 609 4.064 6.385 -5.550 1.00 0.00 O ATOM 1685 ND2 ASN A 609 2.461 5.609 -4.182 1.00 0.00 N ATOM 0 H ASN A 609 6.404 7.468 -4.070 1.00 0.00 H new ATOM 0 HA ASN A 609 4.830 8.800 -4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.104 7.582 -2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 609 2.502 8.447 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 609 2.391 4.726 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 609 1.867 5.780 -3.370 1.00 0.00 H new ATOM 1692 N LYS A 610 5.711 10.404 -2.713 1.00 0.00 N ATOM 1693 CA LYS A 610 5.866 11.699 -2.043 1.00 0.00 C ATOM 1694 C LYS A 610 5.451 11.646 -0.565 1.00 0.00 C ATOM 1695 O LYS A 610 5.384 12.683 0.098 1.00 0.00 O ATOM 1696 CB LYS A 610 5.097 12.816 -2.769 1.00 0.00 C ATOM 1697 CG LYS A 610 5.290 12.840 -4.283 1.00 0.00 C ATOM 1698 CD LYS A 610 6.754 12.775 -4.691 1.00 0.00 C ATOM 1699 CE LYS A 610 7.556 13.957 -4.175 1.00 0.00 C ATOM 1700 NZ LYS A 610 8.932 13.958 -4.733 1.00 0.00 N1+ ATOM 0 H LYS A 610 6.594 9.909 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 610 6.930 11.932 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 610 4.034 12.707 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 610 5.408 13.778 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 610 4.756 11.999 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 610 4.845 13.749 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 610 7.192 11.851 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 610 6.823 12.740 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 610 7.052 14.886 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 610 7.602 13.921 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 9.622 13.985 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 9.079 13.096 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 9.060 14.793 -5.339 1.00 0.00 H new ATOM 1714 N GLU A 611 5.197 10.448 -0.042 1.00 0.00 N ATOM 1715 CA GLU A 611 4.849 10.290 1.370 1.00 0.00 C ATOM 1716 C GLU A 611 5.959 9.514 2.089 1.00 0.00 C ATOM 1717 O GLU A 611 6.662 8.724 1.464 1.00 0.00 O ATOM 1718 CB GLU A 611 3.463 9.608 1.521 1.00 0.00 C ATOM 1719 CG GLU A 611 3.445 8.088 1.371 1.00 0.00 C ATOM 1720 CD GLU A 611 3.907 7.357 2.618 1.00 0.00 C ATOM 1721 OE1 GLU A 611 3.238 7.479 3.672 1.00 0.00 O1- ATOM 1722 OE2 GLU A 611 4.946 6.674 2.546 1.00 0.00 O ATOM 0 H GLU A 611 5.225 9.576 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 611 4.768 11.271 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 611 3.060 9.861 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 611 2.788 10.034 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 611 2.434 7.766 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 611 4.084 7.805 0.534 1.00 0.00 H new ATOM 1729 N PRO A 612 6.175 9.774 3.388 1.00 0.00 N ATOM 1730 CA PRO A 612 7.191 9.078 4.183 1.00 0.00 C ATOM 1731 C PRO A 612 6.688 7.760 4.784 1.00 0.00 C ATOM 1732 O PRO A 612 5.699 7.737 5.524 1.00 0.00 O ATOM 1733 CB PRO A 612 7.509 10.084 5.305 1.00 0.00 C ATOM 1734 CG PRO A 612 6.591 11.255 5.096 1.00 0.00 C ATOM 1735 CD PRO A 612 5.490 10.783 4.187 1.00 0.00 C ATOM 0 HA PRO A 612 8.049 8.795 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 612 7.350 9.636 6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 612 8.553 10.396 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 612 6.186 11.604 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 612 7.128 12.093 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 612 4.652 10.364 4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 612 5.093 11.591 3.572 1.00 0.00 H new ATOM 1743 N VAL A 613 7.409 6.678 4.497 1.00 0.00 N ATOM 1744 CA VAL A 613 7.057 5.350 4.984 1.00 0.00 C ATOM 1745 C VAL A 613 7.427 5.209 6.455 1.00 0.00 C ATOM 1746 O VAL A 613 8.451 5.726 6.904 1.00 0.00 O ATOM 1747 CB VAL A 613 7.774 4.238 4.177 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.361 2.855 4.646 1.00 0.00 C ATOM 1749 CG2 VAL A 613 7.496 4.385 2.691 1.00 0.00 C ATOM 0 H VAL A 613 8.251 6.699 3.922 1.00 0.00 H new ATOM 0 HA VAL A 613 5.980 5.235 4.858 1.00 0.00 H new ATOM 0 HB VAL A 613 8.844 4.351 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 613 7.883 2.100 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 613 7.617 2.736 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.285 2.734 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.009 3.594 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 613 6.423 4.312 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 613 7.856 5.355 2.348 1.00 0.00 H new ATOM 1759 N ALA A 614 6.600 4.489 7.195 1.00 0.00 N ATOM 1760 CA ALA A 614 6.809 4.305 8.622 1.00 0.00 C ATOM 1761 C ALA A 614 7.666 3.072 8.906 1.00 0.00 C ATOM 1762 O ALA A 614 8.575 3.119 9.734 1.00 0.00 O ATOM 1763 CB ALA A 614 5.471 4.200 9.338 1.00 0.00 C ATOM 0 H ALA A 614 5.772 4.019 6.828 1.00 0.00 H new ATOM 0 HA ALA A 614 7.346 5.175 8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 614 5.640 4.062 10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.899 5.113 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.914 3.349 8.946 1.00 0.00 H new ATOM 1769 N GLU A 615 7.379 1.968 8.219 1.00 0.00 N ATOM 1770 CA GLU A 615 8.106 0.733 8.456 1.00 0.00 C ATOM 1771 C GLU A 615 8.166 -0.142 7.199 1.00 0.00 C ATOM 1772 O GLU A 615 7.251 -0.918 6.923 1.00 0.00 O ATOM 1773 CB GLU A 615 7.441 -0.012 9.610 1.00 0.00 C ATOM 1774 CG GLU A 615 8.271 -1.146 10.167 1.00 0.00 C ATOM 1775 CD GLU A 615 7.827 -1.532 11.561 1.00 0.00 C ATOM 1776 OE1 GLU A 615 6.875 -2.329 11.691 1.00 0.00 O ATOM 1777 OE2 GLU A 615 8.421 -1.023 12.534 1.00 0.00 O1- ATOM 0 H GLU A 615 6.656 1.908 7.502 1.00 0.00 H new ATOM 0 HA GLU A 615 9.137 0.973 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 615 7.227 0.696 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.484 -0.408 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.194 -2.011 9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 615 9.321 -0.853 10.187 1.00 0.00 H new ATOM 1784 N PRO A 616 9.227 0.012 6.392 1.00 0.00 N ATOM 1785 CA PRO A 616 9.450 -0.817 5.199 1.00 0.00 C ATOM 1786 C PRO A 616 9.965 -2.228 5.504 1.00 0.00 C ATOM 1787 O PRO A 616 10.316 -2.550 6.640 1.00 0.00 O ATOM 1788 CB PRO A 616 10.532 -0.036 4.453 1.00 0.00 C ATOM 1789 CG PRO A 616 11.312 0.605 5.541 1.00 0.00 C ATOM 1790 CD PRO A 616 10.284 1.040 6.540 1.00 0.00 C ATOM 0 HA PRO A 616 8.520 -0.978 4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.155 -0.693 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.100 0.704 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.023 -0.093 5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 616 11.887 1.453 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 616 10.688 1.062 7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 616 9.908 2.040 6.325 1.00 0.00 H new ATOM 1798 N ASP A 617 9.962 -3.060 4.461 1.00 0.00 N ATOM 1799 CA ASP A 617 10.672 -4.345 4.439 1.00 0.00 C ATOM 1800 C ASP A 617 9.989 -5.420 5.271 1.00 0.00 C ATOM 1801 O ASP A 617 10.637 -6.351 5.751 1.00 0.00 O ATOM 1802 CB ASP A 617 12.125 -4.180 4.884 1.00 0.00 C ATOM 1803 CG ASP A 617 13.084 -4.808 3.896 1.00 0.00 C ATOM 1804 OD1 ASP A 617 12.879 -4.622 2.676 1.00 0.00 O ATOM 1805 OD2 ASP A 617 14.058 -5.460 4.321 1.00 0.00 O1- ATOM 0 H ASP A 617 9.461 -2.860 3.596 1.00 0.00 H new ATOM 0 HA ASP A 617 10.650 -4.681 3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.355 -3.120 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 617 12.260 -4.637 5.864 1.00 0.00 H new ATOM 1810 N ILE A 618 8.679 -5.318 5.416 1.00 0.00 N ATOM 1811 CA ILE A 618 7.910 -6.391 6.018 1.00 0.00 C ATOM 1812 C ILE A 618 7.527 -7.366 4.926 1.00 0.00 C ATOM 1813 O ILE A 618 6.518 -7.193 4.247 1.00 0.00 O ATOM 1814 CB ILE A 618 6.640 -5.878 6.718 1.00 0.00 C ATOM 1815 CG1 ILE A 618 6.988 -4.760 7.701 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.931 -7.020 7.437 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.782 -4.194 8.411 1.00 0.00 C ATOM 0 H ILE A 618 8.130 -4.509 5.127 1.00 0.00 H new ATOM 0 HA ILE A 618 8.524 -6.871 6.780 1.00 0.00 H new ATOM 0 HB ILE A 618 5.966 -5.475 5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.691 -5.142 8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.495 -3.958 7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 618 5.034 -6.640 7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.652 -7.787 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.598 -7.450 8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 618 6.099 -3.405 9.094 1.00 0.00 H new ATOM 0 HD12 ILE A 618 5.088 -3.783 7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.287 -4.985 8.975 1.00 0.00 H new ATOM 1829 N MET A 619 8.357 -8.365 4.726 1.00 0.00 N ATOM 1830 CA MET A 619 8.211 -9.235 3.577 1.00 0.00 C ATOM 1831 C MET A 619 7.138 -10.285 3.787 1.00 0.00 C ATOM 1832 O MET A 619 7.119 -10.996 4.793 1.00 0.00 O ATOM 1833 CB MET A 619 9.540 -9.896 3.233 1.00 0.00 C ATOM 1834 CG MET A 619 10.626 -8.902 2.868 1.00 0.00 C ATOM 1835 SD MET A 619 12.021 -9.687 2.036 1.00 0.00 S ATOM 1836 CE MET A 619 11.195 -10.361 0.595 1.00 0.00 C ATOM 0 H MET A 619 9.138 -8.596 5.340 1.00 0.00 H new ATOM 0 HA MET A 619 7.897 -8.611 2.740 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.873 -10.492 4.083 1.00 0.00 H new ATOM 0 HB3 MET A 619 9.391 -10.584 2.400 1.00 0.00 H new ATOM 0 HG2 MET A 619 10.207 -8.131 2.221 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.978 -8.404 3.771 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.822 -10.217 -0.285 1.00 0.00 H new ATOM 0 HE2 MET A 619 11.017 -11.426 0.743 1.00 0.00 H new ATOM 0 HE3 MET A 619 10.243 -9.851 0.449 1.00 0.00 H new ATOM 1846 N ALA A 620 6.242 -10.368 2.818 1.00 0.00 N ATOM 1847 CA ALA A 620 5.210 -11.382 2.810 1.00 0.00 C ATOM 1848 C ALA A 620 5.610 -12.499 1.863 1.00 0.00 C ATOM 1849 O ALA A 620 6.538 -12.352 1.069 1.00 0.00 O ATOM 1850 CB ALA A 620 3.871 -10.788 2.394 1.00 0.00 C ATOM 0 H ALA A 620 6.212 -9.735 2.019 1.00 0.00 H new ATOM 0 HA ALA A 620 5.100 -11.783 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 620 3.110 -11.569 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.587 -10.004 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.956 -10.366 1.393 1.00 0.00 H new ATOM 1856 N THR A 621 4.910 -13.609 1.947 1.00 0.00 N ATOM 1857 CA THR A 621 5.176 -14.757 1.111 1.00 0.00 C ATOM 1858 C THR A 621 4.962 -14.465 -0.380 1.00 0.00 C ATOM 1859 O THR A 621 5.411 -15.225 -1.240 1.00 0.00 O ATOM 1860 CB THR A 621 4.275 -15.901 1.578 1.00 0.00 C ATOM 1861 OG1 THR A 621 3.557 -15.464 2.737 1.00 0.00 O ATOM 1862 CG2 THR A 621 5.090 -17.124 1.941 1.00 0.00 C ATOM 0 H THR A 621 4.137 -13.740 2.600 1.00 0.00 H new ATOM 0 HA THR A 621 6.227 -15.030 1.212 1.00 0.00 H new ATOM 0 HB THR A 621 3.595 -16.168 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 621 2.615 -15.325 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 621 4.423 -17.921 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 621 5.653 -17.458 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 621 5.781 -16.875 2.746 1.00 0.00 H new ATOM 1870 N ASN A 622 4.286 -13.359 -0.682 1.00 0.00 N ATOM 1871 CA ASN A 622 4.051 -12.957 -2.066 1.00 0.00 C ATOM 1872 C ASN A 622 4.726 -11.621 -2.394 1.00 0.00 C ATOM 1873 O ASN A 622 4.405 -10.996 -3.402 1.00 0.00 O ATOM 1874 CB ASN A 622 2.550 -12.851 -2.355 1.00 0.00 C ATOM 1875 CG ASN A 622 1.851 -11.804 -1.504 1.00 0.00 C ATOM 1876 OD1 ASN A 622 2.198 -11.593 -0.341 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.854 -11.149 -2.074 1.00 0.00 N ATOM 0 H ASN A 622 3.891 -12.725 0.013 1.00 0.00 H new ATOM 0 HA ASN A 622 4.490 -13.729 -2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 622 2.405 -12.610 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 622 2.084 -13.821 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 622 0.342 -10.440 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.596 -11.352 -3.040 1.00 0.00 H new ATOM 1884 N GLY A 623 5.655 -11.175 -1.555 1.00 0.00 N ATOM 1885 CA GLY A 623 6.366 -9.941 -1.854 1.00 0.00 C ATOM 1886 C GLY A 623 6.748 -9.149 -0.617 1.00 0.00 C ATOM 1887 O GLY A 623 7.271 -9.705 0.344 1.00 0.00 O ATOM 0 H GLY A 623 5.927 -11.635 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 623 7.269 -10.178 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 623 5.743 -9.319 -2.497 1.00 0.00 H new ATOM 1891 N VAL A 624 6.496 -7.844 -0.639 1.00 0.00 N ATOM 1892 CA VAL A 624 6.839 -6.982 0.491 1.00 0.00 C ATOM 1893 C VAL A 624 5.659 -6.128 0.921 1.00 0.00 C ATOM 1894 O VAL A 624 4.778 -5.808 0.119 1.00 0.00 O ATOM 1895 CB VAL A 624 8.001 -6.008 0.191 1.00 0.00 C ATOM 1896 CG1 VAL A 624 9.134 -6.187 1.187 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.503 -6.147 -1.234 1.00 0.00 C ATOM 0 H VAL A 624 6.057 -7.360 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 624 7.138 -7.675 1.277 1.00 0.00 H new ATOM 0 HB VAL A 624 7.610 -4.996 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.938 -5.489 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 624 8.767 -5.992 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 624 9.511 -7.208 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.319 -5.444 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.860 -7.164 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 624 7.691 -5.933 -1.928 1.00 0.00 H new ATOM 1907 N VAL A 625 5.665 -5.771 2.194 1.00 0.00 N ATOM 1908 CA VAL A 625 4.744 -4.793 2.740 1.00 0.00 C ATOM 1909 C VAL A 625 5.524 -3.661 3.377 1.00 0.00 C ATOM 1910 O VAL A 625 6.468 -3.882 4.139 1.00 0.00 O ATOM 1911 CB VAL A 625 3.777 -5.410 3.778 1.00 0.00 C ATOM 1912 CG1 VAL A 625 3.033 -4.333 4.555 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.785 -6.314 3.077 1.00 0.00 C ATOM 0 H VAL A 625 6.314 -6.155 2.881 1.00 0.00 H new ATOM 0 HA VAL A 625 4.139 -4.417 1.915 1.00 0.00 H new ATOM 0 HB VAL A 625 4.367 -5.990 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.362 -4.802 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.750 -3.704 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.453 -3.721 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 625 2.105 -6.747 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.214 -5.734 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.320 -7.112 2.563 1.00 0.00 H new ATOM 1923 N HIS A 626 5.152 -2.452 3.034 1.00 0.00 N ATOM 1924 CA HIS A 626 5.791 -1.280 3.603 1.00 0.00 C ATOM 1925 C HIS A 626 4.746 -0.444 4.331 1.00 0.00 C ATOM 1926 O HIS A 626 3.849 0.121 3.705 1.00 0.00 O ATOM 1927 CB HIS A 626 6.502 -0.457 2.511 1.00 0.00 C ATOM 1928 CG HIS A 626 7.525 -1.232 1.721 1.00 0.00 C ATOM 1929 ND1 HIS A 626 8.870 -1.295 2.033 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.369 -1.994 0.609 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.471 -2.077 1.122 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.602 -2.525 0.239 1.00 0.00 N ATOM 0 H HIS A 626 4.410 -2.249 2.364 1.00 0.00 H new ATOM 0 HA HIS A 626 6.553 -1.595 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 626 5.753 -0.061 1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 626 6.991 0.398 2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.436 -2.162 0.092 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.526 -2.308 1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 626 8.793 -3.137 -0.555 1.00 0.00 H new ATOM 1940 N VAL A 627 4.837 -0.408 5.656 1.00 0.00 N ATOM 1941 CA VAL A 627 3.864 0.313 6.468 1.00 0.00 C ATOM 1942 C VAL A 627 3.966 1.803 6.227 1.00 0.00 C ATOM 1943 O VAL A 627 4.998 2.414 6.493 1.00 0.00 O ATOM 1944 CB VAL A 627 4.055 0.047 7.973 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.085 0.879 8.800 1.00 0.00 C ATOM 1946 CG2 VAL A 627 3.887 -1.424 8.283 1.00 0.00 C ATOM 0 H VAL A 627 5.574 -0.869 6.190 1.00 0.00 H new ATOM 0 HA VAL A 627 2.881 -0.051 6.169 1.00 0.00 H new ATOM 0 HB VAL A 627 5.070 0.342 8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.240 0.673 9.859 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.258 1.938 8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.061 0.623 8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.026 -1.589 9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 627 2.886 -1.745 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 627 4.627 -2.000 7.728 1.00 0.00 H new ATOM 1956 N ILE A 628 2.891 2.379 5.736 1.00 0.00 N ATOM 1957 CA ILE A 628 2.834 3.803 5.484 1.00 0.00 C ATOM 1958 C ILE A 628 1.802 4.457 6.366 1.00 0.00 C ATOM 1959 O ILE A 628 0.752 3.881 6.654 1.00 0.00 O ATOM 1960 CB ILE A 628 2.494 4.110 4.019 1.00 0.00 C ATOM 1961 CG1 ILE A 628 1.411 3.162 3.525 1.00 0.00 C ATOM 1962 CG2 ILE A 628 3.734 4.012 3.164 1.00 0.00 C ATOM 1963 CD1 ILE A 628 0.953 3.422 2.115 1.00 0.00 C ATOM 0 H ILE A 628 2.035 1.877 5.501 1.00 0.00 H new ATOM 0 HA ILE A 628 3.823 4.202 5.707 1.00 0.00 H new ATOM 0 HB ILE A 628 2.114 5.129 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 628 1.783 2.139 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 628 0.552 3.232 4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.479 4.232 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.476 4.729 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.143 3.004 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 628 0.181 2.701 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.548 4.431 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 628 1.798 3.322 1.434 1.00 0.00 H new ATOM 1975 N THR A 629 2.106 5.657 6.796 1.00 0.00 N ATOM 1976 CA THR A 629 1.189 6.410 7.611 1.00 0.00 C ATOM 1977 C THR A 629 0.361 7.335 6.734 1.00 0.00 C ATOM 1978 O THR A 629 -0.478 8.089 7.226 1.00 0.00 O ATOM 1979 CB THR A 629 1.940 7.219 8.680 1.00 0.00 C ATOM 1980 OG1 THR A 629 3.006 7.965 8.072 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.510 6.292 9.739 1.00 0.00 C ATOM 0 H THR A 629 2.985 6.133 6.593 1.00 0.00 H new ATOM 0 HA THR A 629 0.526 5.712 8.122 1.00 0.00 H new ATOM 0 HB THR A 629 1.238 7.908 9.150 1.00 0.00 H new ATOM 0 HG1 THR A 629 3.479 8.479 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 629 3.039 6.879 10.490 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.699 5.741 10.215 1.00 0.00 H new ATOM 0 HG23 THR A 629 3.202 5.590 9.274 1.00 0.00 H new ATOM 1989 N ASN A 630 0.598 7.267 5.422 1.00 0.00 N ATOM 1990 CA ASN A 630 -0.141 8.100 4.485 1.00 0.00 C ATOM 1991 C ASN A 630 -0.569 7.273 3.284 1.00 0.00 C ATOM 1992 O ASN A 630 0.211 6.484 2.757 1.00 0.00 O ATOM 1993 CB ASN A 630 0.716 9.280 4.004 1.00 0.00 C ATOM 1994 CG ASN A 630 1.471 9.965 5.125 1.00 0.00 C ATOM 1995 OD1 ASN A 630 0.976 10.900 5.750 1.00 0.00 O ATOM 1996 ND2 ASN A 630 2.682 9.494 5.385 1.00 0.00 N ATOM 0 H ASN A 630 1.288 6.650 4.993 1.00 0.00 H new ATOM 0 HA ASN A 630 -1.019 8.490 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 630 1.428 8.924 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 630 0.074 10.009 3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 630 3.242 9.910 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 630 3.054 8.716 4.841 1.00 0.00 H new ATOM 2003 N VAL A 631 -1.814 7.437 2.852 1.00 0.00 N ATOM 2004 CA VAL A 631 -2.260 6.805 1.624 1.00 0.00 C ATOM 2005 C VAL A 631 -2.007 7.752 0.461 1.00 0.00 C ATOM 2006 O VAL A 631 -2.084 8.970 0.605 1.00 0.00 O ATOM 2007 CB VAL A 631 -3.730 6.320 1.690 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -4.528 7.193 2.617 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -4.385 6.274 0.311 1.00 0.00 C ATOM 0 H VAL A 631 -2.522 7.995 3.329 1.00 0.00 H new ATOM 0 HA VAL A 631 -1.680 5.895 1.472 1.00 0.00 H new ATOM 0 HB VAL A 631 -3.717 5.301 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -5.558 6.840 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -4.096 7.153 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -4.509 8.221 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -5.414 5.928 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -4.377 7.271 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -3.832 5.590 -0.332 1.00 0.00 H new ATOM 2019 N LEU A 632 -1.710 7.171 -0.679 1.00 0.00 N ATOM 2020 CA LEU A 632 -1.010 7.850 -1.735 1.00 0.00 C ATOM 2021 C LEU A 632 -1.909 8.128 -2.933 1.00 0.00 C ATOM 2022 O LEU A 632 -2.923 7.459 -3.126 1.00 0.00 O ATOM 2023 CB LEU A 632 0.178 6.982 -2.153 1.00 0.00 C ATOM 2024 CG LEU A 632 0.985 6.420 -0.974 1.00 0.00 C ATOM 2025 CD1 LEU A 632 0.335 5.191 -0.443 1.00 0.00 C ATOM 2026 CD2 LEU A 632 2.411 6.097 -1.339 1.00 0.00 C ATOM 0 H LEU A 632 -1.952 6.204 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 632 -0.671 8.819 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -0.186 6.152 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 632 0.841 7.572 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 632 1.004 7.203 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 632 0.918 4.803 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 632 -0.672 5.430 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 632 0.283 4.438 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 632 2.930 5.704 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 632 2.423 5.351 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 632 2.913 7.002 -1.682 1.00 0.00 H new ATOM 2038 N GLN A 633 -1.522 9.113 -3.729 1.00 0.00 N ATOM 2039 CA GLN A 633 -2.232 9.447 -4.958 1.00 0.00 C ATOM 2040 C GLN A 633 -1.320 10.260 -5.870 1.00 0.00 C ATOM 2041 O GLN A 633 -0.370 10.890 -5.403 1.00 0.00 O ATOM 2042 CB GLN A 633 -3.516 10.231 -4.660 1.00 0.00 C ATOM 2043 CG GLN A 633 -3.271 11.634 -4.121 1.00 0.00 C ATOM 2044 CD GLN A 633 -4.535 12.472 -4.062 1.00 0.00 C ATOM 2045 OE1 GLN A 633 -5.453 12.234 -4.991 1.00 0.00 O flip ATOM 2046 NE2 GLN A 633 -4.680 13.339 -3.203 1.00 0.00 N flip ATOM 0 H GLN A 633 -0.710 9.702 -3.544 1.00 0.00 H new ATOM 0 HA GLN A 633 -2.514 8.520 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 633 -4.107 10.301 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 633 -4.111 9.673 -3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 633 -2.840 11.564 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 633 -2.537 12.137 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 633 -3.952 13.493 -2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 633 -5.528 13.905 -3.188 1.00 0.00 H new ATOM 2055 N ALA A 634 -1.607 10.240 -7.161 1.00 0.00 N ATOM 2056 CA ALA A 634 -0.795 10.956 -8.132 1.00 0.00 C ATOM 2057 C ALA A 634 -1.476 12.252 -8.546 1.00 0.00 C ATOM 2058 O ALA A 634 -2.483 12.186 -9.275 1.00 0.00 O ATOM 2059 CB ALA A 634 -0.523 10.078 -9.345 1.00 0.00 C ATOM 2060 OXT ALA A 634 -1.006 13.334 -8.129 1.00 0.00 O1- ATOM 0 H ALA A 634 -2.397 9.735 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 634 0.159 11.207 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 634 0.086 10.628 -10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 634 0.008 9.179 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 634 -1.468 9.797 -9.810 1.00 0.00 H new TER 2066 ALA A 634