USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 953 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 25 THR OG1 : rot 180:sc= 0.0242 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -0.394 X(o=-0.42,f=-0.35) USER MOD Set 2.2: A 121 CYS SG : rot 180:sc= -0.0255 USER MOD Set 3.1: A 7 THR OG1 : rot 161:sc= 1.41 USER MOD Set 3.2: A 9 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 164:sc= -0.757 (180deg=-2.05) USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= 1.14 (180deg=0.769) USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= 0.546 (180deg=0.142) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.412 X(o=-0.41,f=-0.72) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 26 ASN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 29 GLN : amide:sc= -5.78 K(o=-5.8,f=-19!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 37 TYR OH : rot 169:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.012) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0.841 (180deg=0.823) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 150:sc= -0.196 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc=-0.00165 (180deg=-0.0122) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 106:sc= 0.0315 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 1.02 (180deg=0.855) USER MOD Single : A 77 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.1!) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc=-0.000531 (180deg=-0.0885) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -117:sc= 0.695 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -127:sc= 0.164 (180deg=0) USER MOD Single : A 100 MET CE :methyl 180:sc= -0.376 (180deg=-0.376) USER MOD Single : A 103 SER OG : rot -160:sc= -0.0681 USER MOD Single : A 115 GLN : amide:sc= 1.13 K(o=1.1,f=-0.79) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.710 0.749 -11.774 1.00 0.00 N ATOM 2 CA MET A 1 16.335 0.808 -10.351 1.00 0.00 C ATOM 3 C MET A 1 14.835 0.585 -10.243 1.00 0.00 C ATOM 4 O MET A 1 14.055 1.469 -10.597 1.00 0.00 O ATOM 5 CB MET A 1 16.768 2.142 -9.736 1.00 0.00 C ATOM 6 CG MET A 1 16.709 2.124 -8.209 1.00 0.00 C ATOM 7 SD MET A 1 17.706 3.437 -7.479 1.00 0.00 S ATOM 8 CE MET A 1 19.165 2.495 -6.970 1.00 0.00 C ATOM 0 H1 MET A 1 17.735 0.900 -11.870 1.00 0.00 H new ATOM 0 H2 MET A 1 16.460 -0.183 -12.161 1.00 0.00 H new ATOM 0 H3 MET A 1 16.201 1.489 -12.298 1.00 0.00 H new ATOM 0 HA MET A 1 16.847 0.028 -9.788 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.784 2.374 -10.055 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.126 2.938 -10.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.674 2.232 -7.885 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.058 1.158 -7.844 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.884 3.165 -6.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.870 1.721 -6.261 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.622 2.031 -7.844 1.00 0.00 H new ATOM 18 N LYS A 2 14.420 -0.632 -9.888 1.00 0.00 N ATOM 19 CA LYS A 2 13.037 -1.093 -9.984 1.00 0.00 C ATOM 20 C LYS A 2 12.956 -2.414 -9.230 1.00 0.00 C ATOM 21 O LYS A 2 13.807 -3.276 -9.451 1.00 0.00 O ATOM 22 CB LYS A 2 12.583 -1.226 -11.457 1.00 0.00 C ATOM 23 CG LYS A 2 13.589 -1.940 -12.377 1.00 0.00 C ATOM 24 CD LYS A 2 13.340 -1.732 -13.874 1.00 0.00 C ATOM 25 CE LYS A 2 14.595 -2.242 -14.593 1.00 0.00 C ATOM 26 NZ LYS A 2 14.534 -2.131 -16.061 1.00 0.00 N ATOM 0 H LYS A 2 15.053 -1.341 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 2 12.355 -0.368 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.638 -1.768 -11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.391 -0.230 -11.855 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.593 -1.591 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.563 -3.008 -12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.455 -2.279 -14.201 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.165 -0.679 -14.097 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.459 -1.684 -14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.755 -3.286 -14.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.417 -2.495 -16.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.730 -2.686 -16.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.412 -1.134 -16.329 1.00 0.00 H new ATOM 40 N MET A 3 12.018 -2.552 -8.296 1.00 0.00 N ATOM 41 CA MET A 3 11.850 -3.718 -7.435 1.00 0.00 C ATOM 42 C MET A 3 10.443 -3.665 -6.838 1.00 0.00 C ATOM 43 O MET A 3 9.863 -2.587 -6.702 1.00 0.00 O ATOM 44 CB MET A 3 12.939 -3.676 -6.352 1.00 0.00 C ATOM 45 CG MET A 3 12.731 -4.669 -5.202 1.00 0.00 C ATOM 46 SD MET A 3 14.158 -4.974 -4.126 1.00 0.00 S ATOM 47 CE MET A 3 15.179 -3.496 -4.389 1.00 0.00 C ATOM 0 H MET A 3 11.327 -1.825 -8.112 1.00 0.00 H new ATOM 0 HA MET A 3 11.954 -4.654 -7.984 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.904 -3.876 -6.817 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.986 -2.668 -5.941 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.909 -4.307 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.415 -5.622 -5.627 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.922 -3.421 -3.595 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.683 -3.569 -5.353 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.545 -2.609 -4.377 1.00 0.00 H new ATOM 57 N LYS A 4 9.867 -4.816 -6.481 1.00 0.00 N ATOM 58 CA LYS A 4 8.464 -4.893 -6.078 1.00 0.00 C ATOM 59 C LYS A 4 8.301 -5.932 -4.973 1.00 0.00 C ATOM 60 O LYS A 4 8.366 -7.130 -5.263 1.00 0.00 O ATOM 61 CB LYS A 4 7.509 -5.142 -7.278 1.00 0.00 C ATOM 62 CG LYS A 4 8.170 -5.257 -8.665 1.00 0.00 C ATOM 63 CD LYS A 4 7.206 -5.720 -9.766 1.00 0.00 C ATOM 64 CE LYS A 4 6.841 -7.206 -9.632 1.00 0.00 C ATOM 65 NZ LYS A 4 7.962 -8.106 -9.976 1.00 0.00 N ATOM 0 H LYS A 4 10.356 -5.711 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 4 8.171 -3.922 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.952 -6.060 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.783 -4.330 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.587 -4.288 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.003 -5.957 -8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.297 -5.120 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.661 -5.546 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.522 -7.406 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.992 -7.427 -10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.992 -8.897 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.827 -8.477 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.857 -7.578 -9.931 1.00 0.00 H new ATOM 79 N LYS A 5 8.182 -5.494 -3.712 1.00 0.00 N ATOM 80 CA LYS A 5 8.028 -6.383 -2.551 1.00 0.00 C ATOM 81 C LYS A 5 6.657 -6.272 -1.881 1.00 0.00 C ATOM 82 O LYS A 5 5.780 -5.593 -2.413 1.00 0.00 O ATOM 83 CB LYS A 5 9.232 -6.214 -1.611 1.00 0.00 C ATOM 84 CG LYS A 5 10.406 -7.059 -2.128 1.00 0.00 C ATOM 85 CD LYS A 5 11.517 -7.240 -1.086 1.00 0.00 C ATOM 86 CE LYS A 5 12.142 -8.633 -1.168 1.00 0.00 C ATOM 87 NZ LYS A 5 12.939 -8.842 -2.391 1.00 0.00 N ATOM 0 H LYS A 5 8.190 -4.504 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 5 8.038 -7.418 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.521 -5.164 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.965 -6.523 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.036 -8.039 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.823 -6.587 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.288 -6.485 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.110 -7.081 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.778 -8.791 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.351 -9.382 -1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.894 -9.844 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.557 -8.253 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.928 -8.577 -2.210 1.00 0.00 H new ATOM 101 N TYR A 6 6.426 -7.022 -0.794 1.00 0.00 N ATOM 102 CA TYR A 6 5.101 -7.234 -0.200 1.00 0.00 C ATOM 103 C TYR A 6 5.158 -7.287 1.326 1.00 0.00 C ATOM 104 O TYR A 6 6.165 -7.716 1.887 1.00 0.00 O ATOM 105 CB TYR A 6 4.541 -8.569 -0.700 1.00 0.00 C ATOM 106 CG TYR A 6 4.329 -8.631 -2.194 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.403 -8.967 -3.039 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.072 -8.312 -2.737 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.243 -8.899 -4.431 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.888 -8.320 -4.129 1.00 0.00 C ATOM 111 CZ TYR A 6 3.981 -8.587 -4.981 1.00 0.00 C ATOM 112 OH TYR A 6 3.859 -8.425 -6.322 1.00 0.00 O ATOM 0 H TYR A 6 7.171 -7.507 -0.294 1.00 0.00 H new ATOM 0 HA TYR A 6 4.469 -6.396 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.222 -9.368 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.591 -8.761 -0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.348 -9.276 -2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.249 -8.061 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.085 -9.085 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.912 -8.122 -4.547 1.00 0.00 H new ATOM 0 HH TYR A 6 2.928 -8.215 -6.543 1.00 0.00 H new ATOM 122 N THR A 7 4.067 -6.939 2.012 1.00 0.00 N ATOM 123 CA THR A 7 3.994 -6.880 3.457 1.00 0.00 C ATOM 124 C THR A 7 3.297 -8.111 4.000 1.00 0.00 C ATOM 125 O THR A 7 2.677 -8.910 3.288 1.00 0.00 O ATOM 126 CB THR A 7 3.242 -5.609 3.903 1.00 0.00 C ATOM 127 OG1 THR A 7 1.875 -5.664 3.570 1.00 0.00 O ATOM 128 CG2 THR A 7 3.866 -4.362 3.302 1.00 0.00 C ATOM 0 H THR A 7 3.190 -6.685 1.556 1.00 0.00 H new ATOM 0 HA THR A 7 5.009 -6.847 3.853 1.00 0.00 H new ATOM 0 HB THR A 7 3.327 -5.560 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.380 -5.012 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.314 -3.483 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.904 -4.283 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.828 -4.424 2.214 1.00 0.00 H new ATOM 136 N LYS A 8 3.358 -8.205 5.315 1.00 0.00 N ATOM 137 CA LYS A 8 2.625 -9.161 6.131 1.00 0.00 C ATOM 138 C LYS A 8 1.202 -8.658 6.424 1.00 0.00 C ATOM 139 O LYS A 8 0.424 -9.397 7.022 1.00 0.00 O ATOM 140 CB LYS A 8 3.430 -9.479 7.405 1.00 0.00 C ATOM 141 CG LYS A 8 4.887 -9.880 7.083 1.00 0.00 C ATOM 142 CD LYS A 8 5.680 -10.256 8.333 1.00 0.00 C ATOM 143 CE LYS A 8 5.134 -11.550 8.939 1.00 0.00 C ATOM 144 NZ LYS A 8 6.163 -12.602 9.094 1.00 0.00 N ATOM 0 H LYS A 8 3.948 -7.588 5.872 1.00 0.00 H new ATOM 0 HA LYS A 8 2.504 -10.095 5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.430 -8.608 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.943 -10.288 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.884 -10.722 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.384 -9.053 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.733 -10.381 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.621 -9.451 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.698 -11.331 9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.330 -11.928 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.731 -13.452 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.563 -12.836 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.920 -12.258 9.719 1.00 0.00 H new ATOM 158 N THR A 9 0.820 -7.470 5.951 1.00 0.00 N ATOM 159 CA THR A 9 -0.507 -6.872 6.092 1.00 0.00 C ATOM 160 C THR A 9 -1.098 -6.609 4.699 1.00 0.00 C ATOM 161 O THR A 9 -1.700 -5.568 4.454 1.00 0.00 O ATOM 162 CB THR A 9 -0.429 -5.636 7.018 1.00 0.00 C ATOM 163 OG1 THR A 9 0.686 -4.812 6.713 1.00 0.00 O ATOM 164 CG2 THR A 9 -0.218 -6.093 8.466 1.00 0.00 C ATOM 0 H THR A 9 1.461 -6.869 5.433 1.00 0.00 H new ATOM 0 HA THR A 9 -1.202 -7.553 6.583 1.00 0.00 H new ATOM 0 HB THR A 9 -1.359 -5.085 6.879 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.494 -4.287 5.908 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.163 -5.221 9.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.052 -6.724 8.773 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.711 -6.659 8.537 1.00 0.00 H new ATOM 172 N HIS A 10 -0.964 -7.590 3.790 1.00 0.00 N ATOM 173 CA HIS A 10 -1.563 -7.621 2.452 1.00 0.00 C ATOM 174 C HIS A 10 -1.456 -6.288 1.693 1.00 0.00 C ATOM 175 O HIS A 10 -2.469 -5.707 1.284 1.00 0.00 O ATOM 176 CB HIS A 10 -2.973 -8.230 2.521 1.00 0.00 C ATOM 177 CG HIS A 10 -3.859 -7.622 3.561 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.407 -6.363 3.474 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.123 -8.143 4.797 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.994 -6.117 4.653 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.828 -7.171 5.476 1.00 0.00 N ATOM 0 H HIS A 10 -0.407 -8.422 3.982 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.969 -8.286 1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.450 -8.122 1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.885 -9.299 2.716 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.373 -5.738 2.668 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.838 -9.117 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.522 -5.209 4.906 1.00 0.00 H new ATOM 190 N GLU A 11 -0.223 -5.843 1.447 1.00 0.00 N ATOM 191 CA GLU A 11 0.134 -4.713 0.594 1.00 0.00 C ATOM 192 C GLU A 11 1.303 -5.109 -0.296 1.00 0.00 C ATOM 193 O GLU A 11 2.152 -5.920 0.084 1.00 0.00 O ATOM 194 CB GLU A 11 0.581 -3.485 1.398 1.00 0.00 C ATOM 195 CG GLU A 11 -0.408 -2.942 2.429 1.00 0.00 C ATOM 196 CD GLU A 11 0.382 -2.557 3.680 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.740 -3.500 4.439 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.691 -1.352 3.816 1.00 0.00 O ATOM 0 H GLU A 11 0.597 -6.287 1.861 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.758 -4.457 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.508 -3.735 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.814 -2.685 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.938 -2.077 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.160 -3.693 2.669 1.00 0.00 H new ATOM 205 N TRP A 12 1.372 -4.472 -1.460 1.00 0.00 N ATOM 206 CA TRP A 12 2.509 -4.514 -2.367 1.00 0.00 C ATOM 207 C TRP A 12 3.206 -3.153 -2.370 1.00 0.00 C ATOM 208 O TRP A 12 2.729 -2.182 -1.773 1.00 0.00 O ATOM 209 CB TRP A 12 2.026 -4.907 -3.767 1.00 0.00 C ATOM 210 CG TRP A 12 1.001 -3.987 -4.334 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.322 -4.094 -4.107 1.00 0.00 C ATOM 212 CD2 TRP A 12 1.181 -2.767 -5.114 1.00 0.00 C ATOM 213 NE1 TRP A 12 -0.979 -3.019 -4.654 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.096 -2.149 -5.246 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.273 -2.107 -5.718 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.274 -0.931 -5.903 1.00 0.00 C ATOM 217 CZ3 TRP A 12 2.089 -0.887 -6.396 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.825 -0.287 -6.475 1.00 0.00 C ATOM 0 H TRP A 12 0.609 -3.892 -1.809 1.00 0.00 H new ATOM 0 HA TRP A 12 3.231 -5.261 -2.037 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.883 -4.939 -4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.613 -5.915 -3.728 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.796 -4.905 -3.574 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.990 -2.884 -4.625 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.260 -2.542 -5.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.257 -0.489 -5.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.936 -0.406 -6.863 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.702 0.663 -6.973 1.00 0.00 H new ATOM 229 N VAL A 13 4.354 -3.086 -3.039 1.00 0.00 N ATOM 230 CA VAL A 13 5.222 -1.926 -3.099 1.00 0.00 C ATOM 231 C VAL A 13 5.807 -1.908 -4.512 1.00 0.00 C ATOM 232 O VAL A 13 6.252 -2.949 -4.975 1.00 0.00 O ATOM 233 CB VAL A 13 6.350 -2.052 -2.042 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.948 -0.685 -1.768 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.942 -2.665 -0.694 1.00 0.00 C ATOM 0 H VAL A 13 4.715 -3.875 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 13 4.680 -1.004 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 13 7.062 -2.745 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.740 -0.777 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.361 -0.277 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.173 -0.018 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.809 -2.704 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.165 -2.053 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.562 -3.674 -0.853 1.00 0.00 H new ATOM 245 N SER A 14 5.837 -0.764 -5.192 1.00 0.00 N ATOM 246 CA SER A 14 6.517 -0.599 -6.477 1.00 0.00 C ATOM 247 C SER A 14 7.634 0.405 -6.292 1.00 0.00 C ATOM 248 O SER A 14 7.427 1.593 -6.514 1.00 0.00 O ATOM 249 CB SER A 14 5.565 -0.077 -7.547 1.00 0.00 C ATOM 250 OG SER A 14 5.098 -1.125 -8.388 1.00 0.00 O ATOM 0 H SER A 14 5.383 0.088 -4.862 1.00 0.00 H new ATOM 0 HA SER A 14 6.898 -1.568 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.716 0.414 -7.071 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.072 0.676 -8.150 1.00 0.00 H new ATOM 0 HG SER A 14 4.489 -0.757 -9.062 1.00 0.00 H new ATOM 256 N ILE A 15 8.791 -0.052 -5.840 1.00 0.00 N ATOM 257 CA ILE A 15 9.968 0.774 -5.684 1.00 0.00 C ATOM 258 C ILE A 15 10.521 0.989 -7.089 1.00 0.00 C ATOM 259 O ILE A 15 10.883 0.020 -7.755 1.00 0.00 O ATOM 260 CB ILE A 15 10.977 0.084 -4.742 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.334 -0.329 -3.399 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.151 1.031 -4.475 1.00 0.00 C ATOM 263 CD1 ILE A 15 9.846 -1.784 -3.372 1.00 0.00 C ATOM 0 H ILE A 15 8.936 -1.024 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 15 9.746 1.737 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 15 11.323 -0.825 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.059 -0.183 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.492 0.331 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.865 0.546 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.641 1.277 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.783 1.945 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.407 -2.002 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.097 -1.931 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.688 -2.453 -3.548 1.00 0.00 H new ATOM 275 N GLU A 16 10.573 2.235 -7.553 1.00 0.00 N ATOM 276 CA GLU A 16 11.311 2.591 -8.755 1.00 0.00 C ATOM 277 C GLU A 16 12.572 3.334 -8.318 1.00 0.00 C ATOM 278 O GLU A 16 13.359 2.750 -7.572 1.00 0.00 O ATOM 279 CB GLU A 16 10.409 3.293 -9.779 1.00 0.00 C ATOM 280 CG GLU A 16 11.098 3.286 -11.156 1.00 0.00 C ATOM 281 CD GLU A 16 10.251 3.891 -12.270 1.00 0.00 C ATOM 282 OE1 GLU A 16 9.178 4.476 -12.024 1.00 0.00 O ATOM 283 OE2 GLU A 16 10.696 3.852 -13.445 1.00 0.00 O ATOM 0 H GLU A 16 10.105 3.023 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 16 11.648 1.717 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.446 2.787 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.211 4.318 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.036 3.837 -11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.350 2.259 -11.421 1.00 0.00 H new ATOM 290 N ASP A 17 12.789 4.580 -8.742 1.00 0.00 N ATOM 291 CA ASP A 17 14.069 5.267 -8.589 1.00 0.00 C ATOM 292 C ASP A 17 14.267 5.723 -7.144 1.00 0.00 C ATOM 293 O ASP A 17 15.226 5.306 -6.496 1.00 0.00 O ATOM 294 CB ASP A 17 14.164 6.455 -9.555 1.00 0.00 C ATOM 295 CG ASP A 17 14.541 6.049 -10.977 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.751 5.983 -11.282 1.00 0.00 O ATOM 297 OD2 ASP A 17 13.654 5.876 -11.843 1.00 0.00 O ATOM 0 H ASP A 17 12.075 5.143 -9.204 1.00 0.00 H new ATOM 0 HA ASP A 17 14.866 4.566 -8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.206 6.975 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.903 7.162 -9.179 1.00 0.00 H new ATOM 302 N LYS A 18 13.381 6.579 -6.622 1.00 0.00 N ATOM 303 CA LYS A 18 13.450 7.099 -5.239 1.00 0.00 C ATOM 304 C LYS A 18 12.075 7.109 -4.575 1.00 0.00 C ATOM 305 O LYS A 18 11.919 7.666 -3.486 1.00 0.00 O ATOM 306 CB LYS A 18 14.100 8.499 -5.182 1.00 0.00 C ATOM 307 CG LYS A 18 15.417 8.506 -5.969 1.00 0.00 C ATOM 308 CD LYS A 18 16.246 9.788 -5.934 1.00 0.00 C ATOM 309 CE LYS A 18 17.397 9.508 -6.908 1.00 0.00 C ATOM 310 NZ LYS A 18 18.333 10.629 -7.062 1.00 0.00 N ATOM 0 H LYS A 18 12.585 6.938 -7.149 1.00 0.00 H new ATOM 0 HA LYS A 18 14.089 6.418 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.417 9.242 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.286 8.779 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.038 7.692 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.189 8.280 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.659 10.652 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.614 9.999 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.947 8.633 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.981 9.258 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.082 10.366 -7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.822 11.461 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.759 10.855 -6.140 1.00 0.00 H new ATOM 324 N VAL A 19 11.075 6.530 -5.233 1.00 0.00 N ATOM 325 CA VAL A 19 9.699 6.505 -4.785 1.00 0.00 C ATOM 326 C VAL A 19 9.228 5.057 -4.877 1.00 0.00 C ATOM 327 O VAL A 19 9.545 4.355 -5.839 1.00 0.00 O ATOM 328 CB VAL A 19 8.854 7.487 -5.627 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.363 7.426 -5.285 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.300 8.943 -5.411 1.00 0.00 C ATOM 0 H VAL A 19 11.212 6.051 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 19 9.592 6.839 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 19 9.010 7.178 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.818 8.136 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.988 6.419 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.220 7.679 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.684 9.606 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.187 9.206 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.345 9.050 -5.702 1.00 0.00 H new ATOM 340 N ALA A 20 8.445 4.632 -3.884 1.00 0.00 N ATOM 341 CA ALA A 20 7.625 3.437 -3.955 1.00 0.00 C ATOM 342 C ALA A 20 6.175 3.878 -4.006 1.00 0.00 C ATOM 343 O ALA A 20 5.751 4.714 -3.202 1.00 0.00 O ATOM 344 CB ALA A 20 7.867 2.538 -2.741 1.00 0.00 C ATOM 0 H ALA A 20 8.367 5.123 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 20 7.881 2.859 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.241 1.649 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.916 2.242 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.617 3.082 -1.830 1.00 0.00 H new ATOM 350 N THR A 21 5.405 3.282 -4.911 1.00 0.00 N ATOM 351 CA THR A 21 3.956 3.264 -4.772 1.00 0.00 C ATOM 352 C THR A 21 3.611 2.210 -3.724 1.00 0.00 C ATOM 353 O THR A 21 4.253 1.156 -3.696 1.00 0.00 O ATOM 354 CB THR A 21 3.297 2.946 -6.127 1.00 0.00 C ATOM 355 OG1 THR A 21 3.774 3.775 -7.166 1.00 0.00 O ATOM 356 CG2 THR A 21 1.785 3.143 -6.087 1.00 0.00 C ATOM 0 H THR A 21 5.759 2.809 -5.742 1.00 0.00 H new ATOM 0 HA THR A 21 3.581 4.237 -4.455 1.00 0.00 H new ATOM 0 HB THR A 21 3.552 1.904 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.329 3.536 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.361 2.908 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.352 2.483 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.560 4.179 -5.834 1.00 0.00 H new ATOM 364 N VAL A 22 2.608 2.484 -2.889 1.00 0.00 N ATOM 365 CA VAL A 22 1.954 1.516 -2.021 1.00 0.00 C ATOM 366 C VAL A 22 0.491 1.340 -2.457 1.00 0.00 C ATOM 367 O VAL A 22 -0.218 2.318 -2.724 1.00 0.00 O ATOM 368 CB VAL A 22 2.032 2.004 -0.561 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.567 0.908 0.409 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.452 2.472 -0.184 1.00 0.00 C ATOM 0 H VAL A 22 2.218 3.422 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 22 2.457 0.552 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 22 1.363 2.861 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.631 1.277 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.535 0.638 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.204 0.030 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.461 2.807 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.152 1.645 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.748 3.295 -0.834 1.00 0.00 H new ATOM 380 N GLY A 23 0.009 0.097 -2.431 1.00 0.00 N ATOM 381 CA GLY A 23 -1.407 -0.235 -2.434 1.00 0.00 C ATOM 382 C GLY A 23 -1.603 -1.538 -1.666 1.00 0.00 C ATOM 383 O GLY A 23 -0.651 -2.302 -1.473 1.00 0.00 O ATOM 0 H GLY A 23 0.613 -0.725 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.984 0.566 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.769 -0.341 -3.457 1.00 0.00 H new ATOM 387 N ILE A 24 -2.833 -1.814 -1.230 1.00 0.00 N ATOM 388 CA ILE A 24 -3.182 -3.146 -0.740 1.00 0.00 C ATOM 389 C ILE A 24 -3.202 -4.120 -1.930 1.00 0.00 C ATOM 390 O ILE A 24 -3.266 -3.687 -3.080 1.00 0.00 O ATOM 391 CB ILE A 24 -4.474 -3.139 0.097 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.723 -2.566 -0.604 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.267 -2.352 1.388 1.00 0.00 C ATOM 394 CD1 ILE A 24 -6.550 -3.674 -1.231 1.00 0.00 C ATOM 0 H ILE A 24 -3.597 -1.139 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.423 -3.496 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.672 -4.195 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.330 -2.018 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.419 -1.855 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.189 -2.356 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.469 -2.812 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.994 -1.324 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.425 -3.244 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.948 -4.205 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.872 -4.370 -0.457 1.00 0.00 H new ATOM 406 N THR A 25 -3.076 -5.423 -1.683 1.00 0.00 N ATOM 407 CA THR A 25 -3.040 -6.442 -2.733 1.00 0.00 C ATOM 408 C THR A 25 -4.443 -6.775 -3.248 1.00 0.00 C ATOM 409 O THR A 25 -5.412 -6.108 -2.904 1.00 0.00 O ATOM 410 CB THR A 25 -2.280 -7.678 -2.220 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.742 -8.078 -0.946 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.782 -7.386 -2.118 1.00 0.00 C ATOM 0 H THR A 25 -2.995 -5.805 -0.741 1.00 0.00 H new ATOM 0 HA THR A 25 -2.500 -6.050 -3.595 1.00 0.00 H new ATOM 0 HB THR A 25 -2.459 -8.480 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.241 -8.866 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.263 -8.272 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.396 -7.118 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.619 -6.560 -1.426 1.00 0.00 H new ATOM 420 N ASN A 26 -4.547 -7.803 -4.094 1.00 0.00 N ATOM 421 CA ASN A 26 -5.758 -8.311 -4.752 1.00 0.00 C ATOM 422 C ASN A 26 -6.364 -9.531 -4.019 1.00 0.00 C ATOM 423 O ASN A 26 -7.168 -10.271 -4.593 1.00 0.00 O ATOM 424 CB ASN A 26 -5.352 -8.733 -6.170 1.00 0.00 C ATOM 425 CG ASN A 26 -6.246 -8.189 -7.274 1.00 0.00 C ATOM 426 OD1 ASN A 26 -5.760 -7.917 -8.366 1.00 0.00 O ATOM 427 ND2 ASN A 26 -7.550 -8.069 -7.081 1.00 0.00 N ATOM 0 H ASN A 26 -3.724 -8.345 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.517 -7.529 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.329 -8.404 -6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.351 -9.822 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.151 -7.750 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.954 -8.295 -6.172 1.00 0.00 H new ATOM 434 N HIS A 27 -6.024 -9.732 -2.742 1.00 0.00 N ATOM 435 CA HIS A 27 -6.676 -10.683 -1.803 1.00 0.00 C ATOM 436 C HIS A 27 -7.421 -10.001 -0.635 1.00 0.00 C ATOM 437 O HIS A 27 -7.980 -10.642 0.250 1.00 0.00 O ATOM 438 CB HIS A 27 -5.611 -11.647 -1.275 1.00 0.00 C ATOM 439 CG HIS A 27 -6.133 -12.913 -0.639 1.00 0.00 C ATOM 440 ND1 HIS A 27 -6.320 -14.130 -1.272 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.427 -13.074 0.685 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.699 -15.023 -0.333 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.780 -14.401 0.863 1.00 0.00 N ATOM 0 H HIS A 27 -5.257 -9.221 -2.305 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.447 -11.217 -2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.954 -11.921 -2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.000 -11.119 -0.543 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.391 -12.311 1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.905 -16.068 -0.510 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.054 -14.834 1.745 1.00 0.00 H new ATOM 452 N ALA A 28 -7.401 -8.683 -0.616 1.00 0.00 N ATOM 453 CA ALA A 28 -7.577 -7.768 0.494 1.00 0.00 C ATOM 454 C ALA A 28 -8.773 -6.831 0.300 1.00 0.00 C ATOM 455 O ALA A 28 -9.676 -6.766 1.126 1.00 0.00 O ATOM 456 CB ALA A 28 -6.279 -6.998 0.426 1.00 0.00 C ATOM 0 H ALA A 28 -7.242 -8.168 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.779 -8.264 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.258 -6.250 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.442 -7.684 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.200 -6.503 -0.542 1.00 0.00 H new ATOM 462 N GLN A 29 -8.814 -6.157 -0.847 1.00 0.00 N ATOM 463 CA GLN A 29 -9.976 -5.561 -1.490 1.00 0.00 C ATOM 464 C GLN A 29 -11.194 -6.493 -1.355 1.00 0.00 C ATOM 465 O GLN A 29 -12.262 -6.051 -0.947 1.00 0.00 O ATOM 466 CB GLN A 29 -9.553 -5.173 -2.941 1.00 0.00 C ATOM 467 CG GLN A 29 -9.404 -6.190 -4.073 1.00 0.00 C ATOM 468 CD GLN A 29 -8.755 -7.454 -3.612 1.00 0.00 C ATOM 469 OE1 GLN A 29 -7.770 -7.438 -2.912 1.00 0.00 O ATOM 470 NE2 GLN A 29 -9.307 -8.594 -3.916 1.00 0.00 N ATOM 0 H GLN A 29 -7.966 -6.003 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.310 -4.641 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.276 -4.433 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.593 -4.664 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.386 -6.418 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.813 -5.752 -4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.139 -8.617 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.908 -9.464 -3.564 1.00 0.00 H new ATOM 479 N GLU A 30 -10.996 -7.801 -1.560 1.00 0.00 N ATOM 480 CA GLU A 30 -12.011 -8.848 -1.436 1.00 0.00 C ATOM 481 C GLU A 30 -12.590 -8.983 -0.019 1.00 0.00 C ATOM 482 O GLU A 30 -13.686 -9.518 0.143 1.00 0.00 O ATOM 483 CB GLU A 30 -11.396 -10.201 -1.862 1.00 0.00 C ATOM 484 CG GLU A 30 -12.196 -10.888 -2.979 1.00 0.00 C ATOM 485 CD GLU A 30 -13.503 -11.482 -2.459 1.00 0.00 C ATOM 486 OE1 GLU A 30 -13.426 -12.460 -1.676 1.00 0.00 O ATOM 487 OE2 GLU A 30 -14.578 -10.942 -2.802 1.00 0.00 O ATOM 0 H GLU A 30 -10.084 -8.172 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.838 -8.562 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.372 -10.040 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.346 -10.862 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.413 -10.167 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.591 -11.677 -3.427 1.00 0.00 H new ATOM 494 N GLN A 31 -11.858 -8.583 1.025 1.00 0.00 N ATOM 495 CA GLN A 31 -12.310 -8.701 2.413 1.00 0.00 C ATOM 496 C GLN A 31 -13.361 -7.633 2.700 1.00 0.00 C ATOM 497 O GLN A 31 -14.390 -7.914 3.319 1.00 0.00 O ATOM 498 CB GLN A 31 -11.138 -8.536 3.397 1.00 0.00 C ATOM 499 CG GLN A 31 -9.990 -9.514 3.137 1.00 0.00 C ATOM 500 CD GLN A 31 -8.909 -9.453 4.216 1.00 0.00 C ATOM 501 OE1 GLN A 31 -8.578 -8.397 4.747 1.00 0.00 O ATOM 502 NE2 GLN A 31 -8.338 -10.590 4.565 1.00 0.00 N ATOM 0 H GLN A 31 -10.932 -8.167 0.930 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.737 -9.695 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.759 -7.516 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.503 -8.677 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.387 -10.528 3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.543 -9.294 2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.621 -11.461 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.613 -10.598 5.283 1.00 0.00 H new ATOM 511 N LEU A 32 -13.071 -6.403 2.259 1.00 0.00 N ATOM 512 CA LEU A 32 -13.950 -5.255 2.432 1.00 0.00 C ATOM 513 C LEU A 32 -15.142 -5.419 1.490 1.00 0.00 C ATOM 514 O LEU A 32 -16.288 -5.504 1.942 1.00 0.00 O ATOM 515 CB LEU A 32 -13.193 -3.926 2.198 1.00 0.00 C ATOM 516 CG LEU A 32 -12.023 -3.614 3.171 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.865 -2.111 3.459 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.120 -4.311 4.529 1.00 0.00 C ATOM 0 H LEU A 32 -12.206 -6.181 1.766 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.312 -5.212 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.799 -3.932 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.912 -3.109 2.256 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.160 -4.001 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.032 -1.958 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.670 -1.580 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.781 -1.729 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.262 -4.035 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.038 -4.004 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.130 -5.391 4.384 1.00 0.00 H new ATOM 530 N GLY A 33 -14.866 -5.545 0.194 1.00 0.00 N ATOM 531 CA GLY A 33 -15.867 -5.593 -0.851 1.00 0.00 C ATOM 532 C GLY A 33 -16.098 -4.187 -1.366 1.00 0.00 C ATOM 533 O GLY A 33 -15.129 -3.461 -1.618 1.00 0.00 O ATOM 0 H GLY A 33 -13.912 -5.618 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.537 -6.243 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.796 -6.012 -0.465 1.00 0.00 H new ATOM 537 N ASP A 34 -17.367 -3.791 -1.488 1.00 0.00 N ATOM 538 CA ASP A 34 -17.745 -2.423 -1.762 1.00 0.00 C ATOM 539 C ASP A 34 -17.135 -1.581 -0.647 1.00 0.00 C ATOM 540 O ASP A 34 -17.315 -1.864 0.544 1.00 0.00 O ATOM 541 CB ASP A 34 -19.273 -2.288 -1.747 1.00 0.00 C ATOM 542 CG ASP A 34 -19.891 -1.902 -3.089 1.00 0.00 C ATOM 543 OD1 ASP A 34 -20.021 -0.694 -3.381 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.432 -2.795 -3.787 1.00 0.00 O ATOM 0 H ASP A 34 -18.161 -4.425 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.393 -2.101 -2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.705 -3.235 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.551 -1.539 -1.005 1.00 0.00 H new ATOM 549 N VAL A 35 -16.386 -0.553 -1.022 1.00 0.00 N ATOM 550 CA VAL A 35 -15.945 0.450 -0.072 1.00 0.00 C ATOM 551 C VAL A 35 -16.923 1.620 -0.206 1.00 0.00 C ATOM 552 O VAL A 35 -18.096 1.414 -0.507 1.00 0.00 O ATOM 553 CB VAL A 35 -14.441 0.746 -0.232 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.864 1.448 1.004 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.633 -0.546 -0.337 1.00 0.00 C ATOM 0 H VAL A 35 -16.072 -0.395 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.985 0.125 0.968 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.366 1.364 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.802 1.639 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.384 2.393 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.996 0.811 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.576 -0.306 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.777 -1.139 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.969 -1.116 -1.203 1.00 0.00 H new ATOM 565 N VAL A 36 -16.471 2.818 0.132 1.00 0.00 N ATOM 566 CA VAL A 36 -17.195 4.055 0.327 1.00 0.00 C ATOM 567 C VAL A 36 -16.152 5.150 0.570 1.00 0.00 C ATOM 568 O VAL A 36 -16.323 6.258 0.068 1.00 0.00 O ATOM 569 CB VAL A 36 -18.156 4.000 1.539 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.526 3.354 1.263 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.578 3.357 2.799 1.00 0.00 C ATOM 0 H VAL A 36 -15.473 2.957 0.293 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.807 4.247 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.301 5.065 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.124 3.365 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.042 3.915 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.383 2.324 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.328 3.367 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.292 2.328 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.701 3.917 3.124 1.00 0.00 H new ATOM 581 N TYR A 37 -15.065 4.851 1.303 1.00 0.00 N ATOM 582 CA TYR A 37 -14.050 5.846 1.643 1.00 0.00 C ATOM 583 C TYR A 37 -12.652 5.226 1.669 1.00 0.00 C ATOM 584 O TYR A 37 -12.472 4.085 2.085 1.00 0.00 O ATOM 585 CB TYR A 37 -14.389 6.481 3.004 1.00 0.00 C ATOM 586 CG TYR A 37 -13.432 7.584 3.420 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.326 8.742 2.628 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.620 7.451 4.563 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.386 9.740 2.929 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.690 8.457 4.885 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.543 9.590 4.051 1.00 0.00 C ATOM 592 OH TYR A 37 -10.563 10.511 4.286 1.00 0.00 O ATOM 0 H TYR A 37 -14.872 3.919 1.670 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.049 6.620 0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.400 6.886 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.387 5.704 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.978 8.865 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.711 6.578 5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.308 10.618 2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.085 8.363 5.775 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.192 10.372 5.182 1.00 0.00 H new ATOM 602 N VAL A 38 -11.647 5.997 1.267 1.00 0.00 N ATOM 603 CA VAL A 38 -10.230 5.704 1.430 1.00 0.00 C ATOM 604 C VAL A 38 -9.662 6.946 2.061 1.00 0.00 C ATOM 605 O VAL A 38 -9.791 8.051 1.525 1.00 0.00 O ATOM 606 CB VAL A 38 -9.564 5.376 0.079 1.00 0.00 C ATOM 607 CG1 VAL A 38 -8.029 5.392 0.153 1.00 0.00 C ATOM 608 CG2 VAL A 38 -10.000 4.035 -0.516 1.00 0.00 C ATOM 0 H VAL A 38 -11.808 6.887 0.795 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.053 4.822 2.046 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.909 6.175 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.615 5.154 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.690 6.381 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.692 4.652 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.489 3.875 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.744 3.231 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.077 4.043 -0.681 1.00 0.00 H new ATOM 618 N ASP A 39 -9.079 6.747 3.233 1.00 0.00 N ATOM 619 CA ASP A 39 -8.372 7.789 3.916 1.00 0.00 C ATOM 620 C ASP A 39 -6.993 7.918 3.281 1.00 0.00 C ATOM 621 O ASP A 39 -6.394 6.907 2.900 1.00 0.00 O ATOM 622 CB ASP A 39 -8.311 7.467 5.409 1.00 0.00 C ATOM 623 CG ASP A 39 -8.016 8.722 6.212 1.00 0.00 C ATOM 624 OD1 ASP A 39 -8.839 9.666 6.114 1.00 0.00 O ATOM 625 OD2 ASP A 39 -7.007 8.728 6.947 1.00 0.00 O ATOM 0 H ASP A 39 -9.090 5.855 3.727 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.880 8.749 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.258 7.035 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.540 6.720 5.595 1.00 0.00 H new ATOM 630 N LEU A 40 -6.493 9.144 3.120 1.00 0.00 N ATOM 631 CA LEU A 40 -5.227 9.396 2.439 1.00 0.00 C ATOM 632 C LEU A 40 -4.321 10.205 3.364 1.00 0.00 C ATOM 633 O LEU A 40 -4.827 11.020 4.142 1.00 0.00 O ATOM 634 CB LEU A 40 -5.439 10.123 1.094 1.00 0.00 C ATOM 635 CG LEU A 40 -6.224 9.307 0.045 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.572 10.197 -1.152 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.413 8.100 -0.449 1.00 0.00 C ATOM 0 H LEU A 40 -6.955 9.988 3.458 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.753 8.442 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.968 11.058 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.466 10.385 0.679 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.134 8.943 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.126 9.615 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.183 11.035 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.655 10.575 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.995 7.548 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.486 8.447 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.182 7.448 0.393 1.00 0.00 H new ATOM 649 N PRO A 41 -2.995 10.030 3.270 1.00 0.00 N ATOM 650 CA PRO A 41 -2.030 10.826 4.019 1.00 0.00 C ATOM 651 C PRO A 41 -1.944 12.278 3.505 1.00 0.00 C ATOM 652 O PRO A 41 -2.704 12.685 2.625 1.00 0.00 O ATOM 653 CB PRO A 41 -0.700 10.084 3.903 1.00 0.00 C ATOM 654 CG PRO A 41 -0.889 8.983 2.855 1.00 0.00 C ATOM 655 CD PRO A 41 -2.351 9.018 2.453 1.00 0.00 C ATOM 0 HA PRO A 41 -2.329 10.928 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.097 10.766 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.412 9.656 4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.245 9.154 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.622 8.008 3.264 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.454 9.255 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.816 8.045 2.608 1.00 0.00 H new ATOM 663 N GLU A 42 -1.022 13.076 4.060 1.00 0.00 N ATOM 664 CA GLU A 42 -0.530 14.328 3.503 1.00 0.00 C ATOM 665 C GLU A 42 0.815 14.096 2.804 1.00 0.00 C ATOM 666 O GLU A 42 1.527 13.154 3.154 1.00 0.00 O ATOM 667 CB GLU A 42 -0.307 15.285 4.671 1.00 0.00 C ATOM 668 CG GLU A 42 -0.199 16.742 4.237 1.00 0.00 C ATOM 669 CD GLU A 42 1.096 17.379 4.734 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.131 17.244 4.046 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.077 18.000 5.822 1.00 0.00 O ATOM 0 H GLU A 42 -0.583 12.849 4.952 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.243 14.728 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.130 15.183 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.604 15.000 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.242 16.803 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.052 17.301 4.621 1.00 0.00 H new ATOM 678 N VAL A 43 1.216 14.981 1.889 1.00 0.00 N ATOM 679 CA VAL A 43 2.317 14.808 0.935 1.00 0.00 C ATOM 680 C VAL A 43 3.732 15.084 1.509 1.00 0.00 C ATOM 681 O VAL A 43 4.691 15.336 0.783 1.00 0.00 O ATOM 682 CB VAL A 43 1.945 15.624 -0.321 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.409 17.079 -0.277 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.496 14.938 -1.561 1.00 0.00 C ATOM 0 H VAL A 43 0.758 15.887 1.787 1.00 0.00 H new ATOM 0 HA VAL A 43 2.419 13.755 0.672 1.00 0.00 H new ATOM 0 HB VAL A 43 0.856 15.657 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.109 17.584 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.955 17.580 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.494 17.112 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.231 15.517 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.581 14.867 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.071 13.937 -1.642 1.00 0.00 H new ATOM 694 N GLY A 44 3.864 15.042 2.827 1.00 0.00 N ATOM 695 CA GLY A 44 5.112 15.148 3.583 1.00 0.00 C ATOM 696 C GLY A 44 5.055 14.424 4.931 1.00 0.00 C ATOM 697 O GLY A 44 5.939 14.612 5.772 1.00 0.00 O ATOM 0 H GLY A 44 3.055 14.926 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.927 14.735 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.341 16.200 3.751 1.00 0.00 H new ATOM 701 N ARG A 45 4.001 13.636 5.196 1.00 0.00 N ATOM 702 CA ARG A 45 3.843 12.947 6.480 1.00 0.00 C ATOM 703 C ARG A 45 4.833 11.789 6.567 1.00 0.00 C ATOM 704 O ARG A 45 4.919 11.011 5.618 1.00 0.00 O ATOM 705 CB ARG A 45 2.405 12.426 6.614 1.00 0.00 C ATOM 706 CG ARG A 45 2.093 11.966 8.047 1.00 0.00 C ATOM 707 CD ARG A 45 1.224 10.711 8.065 1.00 0.00 C ATOM 708 NE ARG A 45 0.864 10.340 9.447 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.192 10.797 10.136 1.00 0.00 C ATOM 710 NH1 ARG A 45 -1.109 11.555 9.544 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.330 10.494 11.420 1.00 0.00 N ATOM 0 H ARG A 45 3.245 13.462 4.534 1.00 0.00 H new ATOM 0 HA ARG A 45 4.043 13.645 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.706 13.211 6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.254 11.595 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.025 11.770 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.585 12.767 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.319 10.882 7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.757 9.887 7.590 1.00 0.00 H new ATOM 0 HE ARG A 45 1.474 9.675 9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.013 11.794 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.909 11.898 10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.368 9.913 11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.134 10.842 11.943 1.00 0.00 H new ATOM 725 N GLU A 46 5.516 11.600 7.698 1.00 0.00 N ATOM 726 CA GLU A 46 6.426 10.482 7.854 1.00 0.00 C ATOM 727 C GLU A 46 5.715 9.250 8.399 1.00 0.00 C ATOM 728 O GLU A 46 4.672 9.325 9.042 1.00 0.00 O ATOM 729 CB GLU A 46 7.527 10.825 8.836 1.00 0.00 C ATOM 730 CG GLU A 46 8.319 11.987 8.302 1.00 0.00 C ATOM 731 CD GLU A 46 9.732 12.057 8.896 1.00 0.00 C ATOM 732 OE1 GLU A 46 9.893 12.623 10.005 1.00 0.00 O ATOM 733 OE2 GLU A 46 10.679 11.519 8.270 1.00 0.00 O ATOM 0 H GLU A 46 5.451 12.210 8.513 1.00 0.00 H new ATOM 0 HA GLU A 46 6.831 10.274 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.100 11.076 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.178 9.964 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.388 11.908 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.790 12.914 8.521 1.00 0.00 H new ATOM 740 N VAL A 47 6.313 8.101 8.153 1.00 0.00 N ATOM 741 CA VAL A 47 5.849 6.788 8.195 1.00 0.00 C ATOM 742 C VAL A 47 6.998 5.868 8.654 1.00 0.00 C ATOM 743 O VAL A 47 8.159 6.270 8.772 1.00 0.00 O ATOM 744 CB VAL A 47 5.458 6.601 6.731 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.681 5.372 6.662 1.00 0.00 C ATOM 746 CG2 VAL A 47 4.717 7.734 6.004 1.00 0.00 C ATOM 0 H VAL A 47 7.295 8.108 7.877 1.00 0.00 H new ATOM 0 HA VAL A 47 5.032 6.566 8.882 1.00 0.00 H new ATOM 0 HB VAL A 47 6.402 6.582 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.376 5.192 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.289 4.537 7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.796 5.465 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.516 7.436 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.775 7.938 6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.333 8.633 6.008 1.00 0.00 H new ATOM 756 N LYS A 48 6.670 4.609 8.909 1.00 0.00 N ATOM 757 CA LYS A 48 7.420 3.513 9.508 1.00 0.00 C ATOM 758 C LYS A 48 6.949 2.243 8.815 1.00 0.00 C ATOM 759 O LYS A 48 5.878 2.293 8.214 1.00 0.00 O ATOM 760 CB LYS A 48 7.060 3.439 10.986 1.00 0.00 C ATOM 761 CG LYS A 48 7.694 4.598 11.758 1.00 0.00 C ATOM 762 CD LYS A 48 7.272 4.593 13.227 1.00 0.00 C ATOM 763 CE LYS A 48 7.730 5.907 13.872 1.00 0.00 C ATOM 764 NZ LYS A 48 9.204 6.000 13.988 1.00 0.00 N ATOM 0 H LYS A 48 5.734 4.288 8.664 1.00 0.00 H new ATOM 0 HA LYS A 48 8.497 3.646 9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.977 3.468 11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.400 2.490 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.780 4.530 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.405 5.543 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.190 4.488 13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.715 3.743 13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.362 6.746 13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.285 5.996 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.459 6.883 14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.561 5.189 14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.628 5.994 13.038 1.00 0.00 H new ATOM 778 N LYS A 49 7.641 1.106 8.946 1.00 0.00 N ATOM 779 CA LYS A 49 7.271 -0.168 8.305 1.00 0.00 C ATOM 780 C LYS A 49 6.080 -0.893 8.942 1.00 0.00 C ATOM 781 O LYS A 49 5.956 -2.124 8.896 1.00 0.00 O ATOM 782 CB LYS A 49 8.512 -1.062 8.166 1.00 0.00 C ATOM 783 CG LYS A 49 9.054 -1.708 9.460 1.00 0.00 C ATOM 784 CD LYS A 49 10.204 -2.674 9.115 1.00 0.00 C ATOM 785 CE LYS A 49 10.796 -3.319 10.374 1.00 0.00 C ATOM 786 NZ LYS A 49 12.057 -4.053 10.106 1.00 0.00 N ATOM 0 H LYS A 49 8.489 1.040 9.509 1.00 0.00 H new ATOM 0 HA LYS A 49 6.902 0.081 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.279 -1.859 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.311 -0.468 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.407 -0.936 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.256 -2.245 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.838 -3.452 8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.985 -2.134 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.983 -2.546 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.066 -4.005 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.456 -4.396 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.862 -4.862 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.738 -3.416 9.645 1.00 0.00 H new ATOM 800 N GLY A 50 5.196 -0.125 9.551 1.00 0.00 N ATOM 801 CA GLY A 50 3.911 -0.538 10.069 1.00 0.00 C ATOM 802 C GLY A 50 3.220 0.678 10.660 1.00 0.00 C ATOM 803 O GLY A 50 2.905 0.692 11.852 1.00 0.00 O ATOM 0 H GLY A 50 5.371 0.868 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.303 -0.971 9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.038 -1.309 10.829 1.00 0.00 H new ATOM 807 N GLU A 51 3.014 1.725 9.855 1.00 0.00 N ATOM 808 CA GLU A 51 2.314 2.934 10.275 1.00 0.00 C ATOM 809 C GLU A 51 1.033 3.109 9.481 1.00 0.00 C ATOM 810 O GLU A 51 1.005 2.833 8.285 1.00 0.00 O ATOM 811 CB GLU A 51 3.209 4.173 10.123 1.00 0.00 C ATOM 812 CG GLU A 51 3.645 4.754 11.471 1.00 0.00 C ATOM 813 CD GLU A 51 2.508 5.349 12.305 1.00 0.00 C ATOM 814 OE1 GLU A 51 1.524 4.632 12.598 1.00 0.00 O ATOM 815 OE2 GLU A 51 2.687 6.473 12.827 1.00 0.00 O ATOM 0 H GLU A 51 3.333 1.753 8.886 1.00 0.00 H new ATOM 0 HA GLU A 51 2.061 2.826 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.093 3.909 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.673 4.936 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.131 3.969 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.392 5.528 11.294 1.00 0.00 H new ATOM 822 N VAL A 52 -0.002 3.604 10.148 1.00 0.00 N ATOM 823 CA VAL A 52 -1.310 3.794 9.562 1.00 0.00 C ATOM 824 C VAL A 52 -1.330 5.218 9.044 1.00 0.00 C ATOM 825 O VAL A 52 -1.413 6.180 9.809 1.00 0.00 O ATOM 826 CB VAL A 52 -2.464 3.486 10.527 1.00 0.00 C ATOM 827 CG1 VAL A 52 -3.782 3.547 9.740 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.290 2.098 11.154 1.00 0.00 C ATOM 0 H VAL A 52 0.051 3.887 11.126 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.474 3.083 8.752 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.472 4.219 11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.615 3.331 10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.906 4.543 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.761 2.810 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.118 1.900 11.834 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.277 1.343 10.368 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.351 2.063 11.706 1.00 0.00 H new ATOM 838 N VAL A 53 -1.200 5.326 7.735 1.00 0.00 N ATOM 839 CA VAL A 53 -1.131 6.570 6.984 1.00 0.00 C ATOM 840 C VAL A 53 -2.307 6.651 5.996 1.00 0.00 C ATOM 841 O VAL A 53 -2.377 7.590 5.210 1.00 0.00 O ATOM 842 CB VAL A 53 0.257 6.649 6.296 1.00 0.00 C ATOM 843 CG1 VAL A 53 1.424 6.774 7.287 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.525 5.391 5.460 1.00 0.00 C ATOM 0 H VAL A 53 -1.136 4.505 7.133 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.226 7.435 7.640 1.00 0.00 H new ATOM 0 HB VAL A 53 0.212 7.546 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.364 6.824 6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.302 7.680 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.435 5.907 7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.504 5.470 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.504 4.513 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.242 5.295 4.692 1.00 0.00 H new ATOM 854 N ALA A 54 -3.176 5.630 5.959 1.00 0.00 N ATOM 855 CA ALA A 54 -4.113 5.385 4.874 1.00 0.00 C ATOM 856 C ALA A 54 -5.148 4.346 5.319 1.00 0.00 C ATOM 857 O ALA A 54 -5.138 3.209 4.860 1.00 0.00 O ATOM 858 CB ALA A 54 -3.297 4.864 3.688 1.00 0.00 C ATOM 0 H ALA A 54 -3.241 4.939 6.706 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.649 6.292 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.962 4.666 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.559 5.612 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.788 3.943 3.973 1.00 0.00 H new ATOM 864 N SER A 55 -5.993 4.674 6.281 1.00 0.00 N ATOM 865 CA SER A 55 -7.101 3.801 6.642 1.00 0.00 C ATOM 866 C SER A 55 -8.112 3.680 5.478 1.00 0.00 C ATOM 867 O SER A 55 -8.054 4.431 4.503 1.00 0.00 O ATOM 868 CB SER A 55 -7.697 4.379 7.921 1.00 0.00 C ATOM 869 OG SER A 55 -6.915 4.039 9.055 1.00 0.00 O ATOM 0 H SER A 55 -5.935 5.535 6.825 1.00 0.00 H new ATOM 0 HA SER A 55 -6.778 2.776 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.764 5.464 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.713 4.006 8.052 1.00 0.00 H new ATOM 0 HG SER A 55 -7.321 4.425 9.860 1.00 0.00 H new ATOM 875 N ILE A 56 -9.039 2.717 5.530 1.00 0.00 N ATOM 876 CA ILE A 56 -10.021 2.473 4.474 1.00 0.00 C ATOM 877 C ILE A 56 -11.331 2.057 5.147 1.00 0.00 C ATOM 878 O ILE A 56 -11.427 0.918 5.610 1.00 0.00 O ATOM 879 CB ILE A 56 -9.550 1.397 3.456 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.057 1.442 3.079 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.463 1.547 2.224 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.625 0.316 2.128 1.00 0.00 C ATOM 0 H ILE A 56 -9.127 2.077 6.320 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.157 3.386 3.894 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.638 0.416 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.838 2.403 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.460 1.386 3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.179 0.813 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.500 1.383 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.357 2.551 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.562 0.413 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.811 -0.649 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.195 0.384 1.201 1.00 0.00 H new ATOM 894 N GLU A 57 -12.320 2.951 5.224 1.00 0.00 N ATOM 895 CA GLU A 57 -13.624 2.654 5.785 1.00 0.00 C ATOM 896 C GLU A 57 -14.508 2.188 4.639 1.00 0.00 C ATOM 897 O GLU A 57 -14.741 2.932 3.694 1.00 0.00 O ATOM 898 CB GLU A 57 -14.220 3.877 6.504 1.00 0.00 C ATOM 899 CG GLU A 57 -14.170 3.632 8.013 1.00 0.00 C ATOM 900 CD GLU A 57 -14.725 4.793 8.835 1.00 0.00 C ATOM 901 OE1 GLU A 57 -13.982 5.786 9.049 1.00 0.00 O ATOM 902 OE2 GLU A 57 -15.883 4.686 9.302 1.00 0.00 O ATOM 0 H GLU A 57 -12.228 3.911 4.892 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.546 1.874 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.659 4.776 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.248 4.041 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.735 2.729 8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.137 3.448 8.310 1.00 0.00 H new ATOM 909 N SER A 58 -14.970 0.945 4.721 1.00 0.00 N ATOM 910 CA SER A 58 -15.876 0.303 3.784 1.00 0.00 C ATOM 911 C SER A 58 -17.315 0.360 4.300 1.00 0.00 C ATOM 912 O SER A 58 -17.619 1.065 5.267 1.00 0.00 O ATOM 913 CB SER A 58 -15.394 -1.125 3.520 1.00 0.00 C ATOM 914 OG SER A 58 -15.298 -1.861 4.720 1.00 0.00 O ATOM 0 H SER A 58 -14.705 0.326 5.488 1.00 0.00 H new ATOM 0 HA SER A 58 -15.874 0.836 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.083 -1.624 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.422 -1.098 3.028 1.00 0.00 H new ATOM 0 HG SER A 58 -15.466 -2.809 4.537 1.00 0.00 H new ATOM 920 N VAL A 59 -18.217 -0.387 3.665 1.00 0.00 N ATOM 921 CA VAL A 59 -19.619 -0.468 4.046 1.00 0.00 C ATOM 922 C VAL A 59 -19.832 -0.820 5.530 1.00 0.00 C ATOM 923 O VAL A 59 -20.856 -0.389 6.075 1.00 0.00 O ATOM 924 CB VAL A 59 -20.356 -1.432 3.094 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.479 -0.832 1.687 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.685 -2.815 3.018 1.00 0.00 C ATOM 0 H VAL A 59 -17.985 -0.963 2.856 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.052 0.527 3.941 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.353 -1.572 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.003 -1.533 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.038 0.103 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.484 -0.639 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.244 -3.454 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.663 -2.704 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.672 -3.268 4.009 1.00 0.00 H new ATOM 936 N LYS A 60 -18.921 -1.561 6.193 1.00 0.00 N ATOM 937 CA LYS A 60 -18.905 -1.707 7.659 1.00 0.00 C ATOM 938 C LYS A 60 -17.604 -2.332 8.186 1.00 0.00 C ATOM 939 O LYS A 60 -17.627 -3.181 9.088 1.00 0.00 O ATOM 940 CB LYS A 60 -20.140 -2.489 8.164 1.00 0.00 C ATOM 941 CG LYS A 60 -20.527 -2.090 9.599 1.00 0.00 C ATOM 942 CD LYS A 60 -21.121 -0.680 9.733 1.00 0.00 C ATOM 943 CE LYS A 60 -22.651 -0.671 9.733 1.00 0.00 C ATOM 944 NZ LYS A 60 -23.238 -1.203 8.488 1.00 0.00 N ATOM 0 H LYS A 60 -18.175 -2.075 5.724 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.951 -0.696 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.983 -2.306 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.932 -3.558 8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.249 -2.812 9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.642 -2.159 10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.761 -0.227 10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -20.760 -0.061 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.011 -1.260 10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.001 0.350 9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.275 -1.138 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.895 -0.649 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -22.959 -2.198 8.370 1.00 0.00 H new ATOM 958 N ALA A 61 -16.453 -1.952 7.638 1.00 0.00 N ATOM 959 CA ALA A 61 -15.163 -2.354 8.181 1.00 0.00 C ATOM 960 C ALA A 61 -14.148 -1.254 7.954 1.00 0.00 C ATOM 961 O ALA A 61 -14.315 -0.440 7.048 1.00 0.00 O ATOM 962 CB ALA A 61 -14.658 -3.616 7.484 1.00 0.00 C ATOM 0 H ALA A 61 -16.390 -1.360 6.810 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.288 -2.546 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.693 -3.901 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.373 -4.425 7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.548 -3.423 6.417 1.00 0.00 H new ATOM 968 N ALA A 62 -13.056 -1.320 8.703 1.00 0.00 N ATOM 969 CA ALA A 62 -11.853 -0.542 8.512 1.00 0.00 C ATOM 970 C ALA A 62 -10.752 -1.524 8.136 1.00 0.00 C ATOM 971 O ALA A 62 -10.801 -2.688 8.558 1.00 0.00 O ATOM 972 CB ALA A 62 -11.504 0.179 9.810 1.00 0.00 C ATOM 0 H ALA A 62 -12.988 -1.953 9.500 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.980 0.210 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.597 0.766 9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.324 0.840 10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.342 -0.553 10.601 1.00 0.00 H new ATOM 978 N ALA A 63 -9.753 -1.064 7.389 1.00 0.00 N ATOM 979 CA ALA A 63 -8.526 -1.808 7.162 1.00 0.00 C ATOM 980 C ALA A 63 -7.364 -0.834 7.037 1.00 0.00 C ATOM 981 O ALA A 63 -6.882 -0.585 5.931 1.00 0.00 O ATOM 982 CB ALA A 63 -8.656 -2.714 5.938 1.00 0.00 C ATOM 0 H ALA A 63 -9.776 -0.157 6.922 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.332 -2.462 8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.725 -3.260 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.471 -3.421 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.866 -2.107 5.057 1.00 0.00 H new ATOM 988 N ASP A 64 -6.942 -0.315 8.190 1.00 0.00 N ATOM 989 CA ASP A 64 -5.727 0.445 8.459 1.00 0.00 C ATOM 990 C ASP A 64 -4.613 -0.063 7.547 1.00 0.00 C ATOM 991 O ASP A 64 -4.153 -1.199 7.717 1.00 0.00 O ATOM 992 CB ASP A 64 -5.285 0.249 9.929 1.00 0.00 C ATOM 993 CG ASP A 64 -6.316 0.479 11.034 1.00 0.00 C ATOM 994 OD1 ASP A 64 -7.479 0.025 10.895 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.920 0.913 12.142 1.00 0.00 O ATOM 0 H ASP A 64 -7.497 -0.429 9.038 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.923 1.502 8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.911 -0.770 10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.444 0.917 10.115 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.222 0.708 6.530 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.128 0.261 5.671 1.00 0.00 C ATOM 1002 C VAL A 65 -1.827 0.543 6.423 1.00 0.00 C ATOM 1003 O VAL A 65 -1.569 1.704 6.764 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.164 0.942 4.305 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.961 0.524 3.447 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.449 0.577 3.552 1.00 0.00 C ATOM 0 H VAL A 65 -4.629 1.611 6.288 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.217 -0.805 5.460 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.129 2.017 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.013 1.024 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.038 0.806 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.978 -0.556 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.455 1.072 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.493 -0.503 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.314 0.901 4.130 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.024 -0.488 6.697 1.00 0.00 N ATOM 1017 CA TYR A 66 0.163 -0.360 7.526 1.00 0.00 C ATOM 1018 C TYR A 66 1.435 -0.288 6.687 1.00 0.00 C ATOM 1019 O TYR A 66 2.051 -1.319 6.398 1.00 0.00 O ATOM 1020 CB TYR A 66 0.293 -1.533 8.495 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.840 -1.745 9.466 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.923 -0.987 10.645 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.784 -2.748 9.195 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.944 -1.257 11.571 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.803 -3.024 10.111 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.884 -2.277 11.309 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.849 -2.544 12.223 1.00 0.00 O ATOM 0 H TYR A 66 -1.184 -1.433 6.347 1.00 0.00 H new ATOM 0 HA TYR A 66 0.046 0.569 8.084 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.413 -2.445 7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.210 -1.399 9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.207 -0.202 10.838 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.723 -3.309 8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.010 -0.684 12.484 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.523 -3.802 9.905 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.418 -3.271 11.895 1.00 0.00 H new ATOM 1037 N ALA A 67 1.863 0.944 6.415 1.00 0.00 N ATOM 1038 CA ALA A 67 2.914 1.292 5.482 1.00 0.00 C ATOM 1039 C ALA A 67 4.054 0.273 5.395 1.00 0.00 C ATOM 1040 O ALA A 67 4.600 -0.124 6.424 1.00 0.00 O ATOM 1041 CB ALA A 67 3.497 2.650 5.832 1.00 0.00 C ATOM 0 H ALA A 67 1.459 1.764 6.868 1.00 0.00 H new ATOM 0 HA ALA A 67 2.433 1.306 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.286 2.901 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.713 3.406 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.911 2.620 6.840 1.00 0.00 H new ATOM 1047 N PRO A 68 4.465 -0.106 4.178 1.00 0.00 N ATOM 1048 CA PRO A 68 5.314 -1.266 3.978 1.00 0.00 C ATOM 1049 C PRO A 68 6.739 -1.022 4.477 1.00 0.00 C ATOM 1050 O PRO A 68 7.403 -1.959 4.931 1.00 0.00 O ATOM 1051 CB PRO A 68 5.243 -1.507 2.466 1.00 0.00 C ATOM 1052 CG PRO A 68 5.027 -0.118 1.875 1.00 0.00 C ATOM 1053 CD PRO A 68 4.068 0.466 2.905 1.00 0.00 C ATOM 0 HA PRO A 68 4.987 -2.137 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.161 -1.961 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.426 -2.181 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.954 0.451 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.593 -0.154 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.132 1.554 2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.035 0.212 2.667 1.00 0.00 H new ATOM 1061 N LEU A 69 7.211 0.225 4.372 1.00 0.00 N ATOM 1062 CA LEU A 69 8.557 0.661 4.687 1.00 0.00 C ATOM 1063 C LEU A 69 8.464 1.973 5.468 1.00 0.00 C ATOM 1064 O LEU A 69 7.478 2.710 5.395 1.00 0.00 O ATOM 1065 CB LEU A 69 9.382 0.913 3.404 1.00 0.00 C ATOM 1066 CG LEU A 69 9.904 -0.280 2.582 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.647 -1.347 3.405 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.822 -0.926 1.720 1.00 0.00 C ATOM 0 H LEU A 69 6.624 0.992 4.046 1.00 0.00 H new ATOM 0 HA LEU A 69 9.050 -0.118 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.771 1.523 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.245 1.516 3.686 1.00 0.00 H new ATOM 0 HG LEU A 69 10.645 0.169 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.979 -2.149 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.512 -0.895 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.977 -1.754 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.250 -1.760 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.017 -1.290 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.426 -0.189 1.021 1.00 0.00 H new ATOM 1080 N SER A 70 9.547 2.293 6.160 1.00 0.00 N ATOM 1081 CA SER A 70 9.837 3.588 6.750 1.00 0.00 C ATOM 1082 C SER A 70 10.073 4.565 5.606 1.00 0.00 C ATOM 1083 O SER A 70 10.801 4.253 4.662 1.00 0.00 O ATOM 1084 CB SER A 70 11.083 3.486 7.644 1.00 0.00 C ATOM 1085 OG SER A 70 11.199 2.224 8.301 1.00 0.00 O ATOM 0 H SER A 70 10.289 1.615 6.334 1.00 0.00 H new ATOM 0 HA SER A 70 9.010 3.930 7.372 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.973 3.656 7.038 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.051 4.277 8.393 1.00 0.00 H new ATOM 0 HG SER A 70 11.910 1.699 7.878 1.00 0.00 H new ATOM 1091 N GLY A 71 9.455 5.737 5.639 1.00 0.00 N ATOM 1092 CA GLY A 71 9.545 6.692 4.551 1.00 0.00 C ATOM 1093 C GLY A 71 8.646 7.870 4.825 1.00 0.00 C ATOM 1094 O GLY A 71 8.085 7.973 5.915 1.00 0.00 O ATOM 0 H GLY A 71 8.879 6.049 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.575 7.029 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.259 6.216 3.613 1.00 0.00 H new ATOM 1098 N LYS A 72 8.505 8.764 3.856 1.00 0.00 N ATOM 1099 CA LYS A 72 7.669 9.944 4.006 1.00 0.00 C ATOM 1100 C LYS A 72 6.816 10.054 2.752 1.00 0.00 C ATOM 1101 O LYS A 72 7.316 9.846 1.642 1.00 0.00 O ATOM 1102 CB LYS A 72 8.496 11.213 4.277 1.00 0.00 C ATOM 1103 CG LYS A 72 9.642 11.051 5.290 1.00 0.00 C ATOM 1104 CD LYS A 72 10.930 10.439 4.728 1.00 0.00 C ATOM 1105 CE LYS A 72 12.101 11.429 4.781 1.00 0.00 C ATOM 1106 NZ LYS A 72 11.896 12.574 3.873 1.00 0.00 N ATOM 0 H LYS A 72 8.965 8.691 2.949 1.00 0.00 H new ATOM 0 HA LYS A 72 7.027 9.845 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.915 11.561 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.825 11.994 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.877 12.030 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.292 10.428 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.185 9.544 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.764 10.127 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.223 11.792 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.024 10.914 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.552 13.340 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.074 12.276 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.917 12.914 3.959 1.00 0.00 H new ATOM 1120 N ILE A 73 5.515 10.247 2.941 1.00 0.00 N ATOM 1121 CA ILE A 73 4.569 10.389 1.853 1.00 0.00 C ATOM 1122 C ILE A 73 4.949 11.639 1.069 1.00 0.00 C ATOM 1123 O ILE A 73 5.556 12.557 1.613 1.00 0.00 O ATOM 1124 CB ILE A 73 3.134 10.441 2.397 1.00 0.00 C ATOM 1125 CG1 ILE A 73 2.799 9.266 3.340 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.111 10.507 1.248 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.136 7.883 2.783 1.00 0.00 C ATOM 0 H ILE A 73 5.089 10.309 3.866 1.00 0.00 H new ATOM 0 HA ILE A 73 4.605 9.530 1.182 1.00 0.00 H new ATOM 0 HB ILE A 73 3.070 11.353 2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.337 9.406 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.735 9.299 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.103 10.543 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.291 11.401 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.214 9.624 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.866 7.121 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.578 7.716 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.204 7.825 2.575 1.00 0.00 H new ATOM 1139 N VAL A 74 4.626 11.625 -0.224 1.00 0.00 N ATOM 1140 CA VAL A 74 5.127 12.583 -1.200 1.00 0.00 C ATOM 1141 C VAL A 74 4.281 12.530 -2.446 1.00 0.00 C ATOM 1142 O VAL A 74 4.404 13.409 -3.301 1.00 0.00 O ATOM 1143 CB VAL A 74 6.549 12.147 -1.577 1.00 0.00 C ATOM 1144 CG1 VAL A 74 6.825 11.510 -2.948 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.601 13.182 -1.186 1.00 0.00 C ATOM 0 H VAL A 74 3.996 10.932 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 74 5.105 13.591 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 74 6.643 11.263 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.885 11.269 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.237 10.598 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.549 12.210 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.589 12.824 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.393 14.123 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.573 13.339 -0.108 1.00 0.00 H new ATOM 1155 N GLU A 75 3.426 11.515 -2.567 1.00 0.00 N ATOM 1156 CA GLU A 75 2.363 11.594 -3.513 1.00 0.00 C ATOM 1157 C GLU A 75 1.145 10.887 -2.907 1.00 0.00 C ATOM 1158 O GLU A 75 1.304 9.952 -2.117 1.00 0.00 O ATOM 1159 CB GLU A 75 2.834 10.993 -4.847 1.00 0.00 C ATOM 1160 CG GLU A 75 2.775 11.935 -6.047 1.00 0.00 C ATOM 1161 CD GLU A 75 3.629 11.398 -7.207 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.218 10.401 -7.845 1.00 0.00 O ATOM 1163 OE2 GLU A 75 4.704 11.976 -7.491 1.00 0.00 O ATOM 0 H GLU A 75 3.463 10.652 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 75 2.071 12.622 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.861 10.648 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.226 10.115 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.742 12.050 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.130 12.924 -5.756 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.068 11.279 -3.283 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.323 10.651 -2.867 1.00 0.00 C ATOM 1172 C VAL A 76 -2.192 10.527 -4.117 1.00 0.00 C ATOM 1173 O VAL A 76 -2.018 11.310 -5.056 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.005 11.453 -1.733 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.158 11.431 -0.451 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.261 12.907 -2.147 1.00 0.00 C ATOM 0 H VAL A 76 -0.212 12.072 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.149 9.661 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.963 10.971 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.662 12.003 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.028 10.401 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.182 11.874 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.741 13.440 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.313 13.389 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.911 12.927 -3.022 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.087 9.543 -4.158 1.00 0.00 N ATOM 1187 CA ASN A 77 -3.983 9.330 -5.286 1.00 0.00 C ATOM 1188 C ASN A 77 -5.326 9.930 -4.888 1.00 0.00 C ATOM 1189 O ASN A 77 -6.190 9.219 -4.374 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.069 7.827 -5.610 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.567 7.519 -7.022 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.508 8.353 -7.924 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.025 6.297 -7.232 1.00 0.00 N ATOM 0 H ASN A 77 -3.210 8.868 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.628 9.811 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.083 7.381 -5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.733 7.349 -4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.342 6.024 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.062 5.627 -6.464 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.518 11.241 -5.079 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.764 11.921 -4.707 1.00 0.00 C ATOM 1202 C GLU A 78 -7.974 11.343 -5.451 1.00 0.00 C ATOM 1203 O GLU A 78 -9.123 11.509 -5.046 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.658 13.434 -4.974 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.951 14.218 -3.861 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.346 15.701 -3.898 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -7.399 16.095 -3.336 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -5.627 16.525 -4.505 1.00 0.00 O ATOM 0 H GLU A 78 -4.818 11.857 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.915 11.755 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.122 13.590 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.661 13.839 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.209 13.793 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.871 14.122 -3.973 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.712 10.583 -6.503 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.669 9.788 -7.246 1.00 0.00 C ATOM 1217 C LYS A 79 -9.376 8.734 -6.387 1.00 0.00 C ATOM 1218 O LYS A 79 -10.463 8.307 -6.764 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.888 9.136 -8.397 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.509 10.114 -9.518 1.00 0.00 C ATOM 1221 CD LYS A 79 -8.710 10.465 -10.400 1.00 0.00 C ATOM 1222 CE LYS A 79 -9.005 9.377 -11.438 1.00 0.00 C ATOM 1223 NZ LYS A 79 -7.995 9.343 -12.511 1.00 0.00 N ATOM 0 H LYS A 79 -6.768 10.502 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.472 10.427 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.979 8.685 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.486 8.328 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.100 11.025 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.723 9.675 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.589 10.613 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.520 11.409 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.041 8.406 -10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.989 9.550 -11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.335 8.742 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.832 10.307 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.105 8.956 -12.138 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.815 8.302 -5.253 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.409 7.275 -4.395 1.00 0.00 C ATOM 1239 C LEU A 80 -10.433 7.856 -3.431 1.00 0.00 C ATOM 1240 O LEU A 80 -11.252 7.107 -2.902 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.302 6.570 -3.606 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.486 5.527 -4.399 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -7.844 4.136 -3.912 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.676 5.493 -5.925 1.00 0.00 C ATOM 0 H LEU A 80 -7.927 8.660 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.929 6.564 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.617 7.325 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.751 6.076 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.456 5.833 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.270 3.396 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.611 4.051 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.909 3.960 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.044 4.715 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.720 5.281 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.399 6.459 -6.348 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.442 9.175 -3.245 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.557 9.851 -2.590 1.00 0.00 C ATOM 1258 C ASP A 81 -12.831 9.663 -3.421 1.00 0.00 C ATOM 1259 O ASP A 81 -13.931 9.580 -2.876 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.220 11.337 -2.440 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.356 12.180 -1.871 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -13.168 11.709 -1.042 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -12.434 13.369 -2.261 1.00 0.00 O ATOM 0 H ASP A 81 -9.688 9.796 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.726 9.425 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.349 11.437 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.940 11.735 -3.415 1.00 0.00 H new ATOM 1268 N THR A 82 -12.708 9.559 -4.748 1.00 0.00 N ATOM 1269 CA THR A 82 -13.852 9.592 -5.647 1.00 0.00 C ATOM 1270 C THR A 82 -14.088 8.231 -6.326 1.00 0.00 C ATOM 1271 O THR A 82 -15.224 7.926 -6.686 1.00 0.00 O ATOM 1272 CB THR A 82 -13.697 10.801 -6.587 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.499 10.735 -7.339 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.655 12.112 -5.792 1.00 0.00 C ATOM 0 H THR A 82 -11.812 9.450 -5.223 1.00 0.00 H new ATOM 0 HA THR A 82 -14.781 9.746 -5.097 1.00 0.00 H new ATOM 0 HB THR A 82 -14.559 10.776 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.437 11.518 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.545 12.951 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.580 12.225 -5.227 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.810 12.093 -5.104 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.085 7.349 -6.385 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.244 5.922 -6.662 1.00 0.00 C ATOM 1284 C GLU A 83 -12.555 5.085 -5.568 1.00 0.00 C ATOM 1285 O GLU A 83 -11.504 4.486 -5.799 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.667 5.563 -8.029 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.375 6.181 -9.239 1.00 0.00 C ATOM 1288 CD GLU A 83 -12.924 5.540 -10.558 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -11.738 5.720 -10.940 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.736 4.934 -11.289 1.00 0.00 O ATOM 0 H GLU A 83 -12.113 7.619 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.310 5.697 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.620 5.867 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.686 4.478 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.453 6.062 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.174 7.252 -9.269 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.138 4.979 -4.371 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.685 4.043 -3.361 1.00 0.00 C ATOM 1299 C PRO A 84 -12.906 2.595 -3.832 1.00 0.00 C ATOM 1300 O PRO A 84 -12.158 1.703 -3.426 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.453 4.402 -2.083 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.551 5.386 -2.496 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.229 5.797 -3.927 1.00 0.00 C ATOM 0 HA PRO A 84 -11.614 4.112 -3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.883 3.511 -1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.789 4.850 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.535 4.921 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.567 6.253 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.098 5.661 -4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.961 6.853 -3.972 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.869 2.345 -4.729 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.050 1.046 -5.378 1.00 0.00 C ATOM 1313 C GLU A 85 -12.854 0.712 -6.285 1.00 0.00 C ATOM 1314 O GLU A 85 -12.676 -0.454 -6.610 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.353 1.041 -6.198 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.819 -0.262 -6.875 1.00 0.00 C ATOM 1317 CD GLU A 85 -16.736 0.041 -8.070 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -17.848 0.581 -7.903 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -16.334 -0.184 -9.241 1.00 0.00 O ATOM 0 H GLU A 85 -14.548 3.046 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.113 0.283 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.155 1.371 -5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.251 1.796 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.953 -0.832 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.349 -0.883 -6.153 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.983 1.652 -6.686 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.896 1.290 -7.599 1.00 0.00 C ATOM 1328 C LEU A 86 -9.925 0.287 -6.973 1.00 0.00 C ATOM 1329 O LEU A 86 -9.242 -0.444 -7.691 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.112 2.521 -8.094 1.00 0.00 C ATOM 1331 CG LEU A 86 -9.953 2.657 -9.622 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -8.565 3.198 -9.935 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.097 1.369 -10.432 1.00 0.00 C ATOM 0 H LEU A 86 -12.009 2.632 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.379 0.820 -8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.608 3.417 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.118 2.497 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.771 3.316 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.448 3.296 -11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.441 4.174 -9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.811 2.512 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.966 1.589 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.340 0.652 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.088 0.946 -10.269 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.894 0.215 -5.641 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.146 -0.793 -4.914 1.00 0.00 C ATOM 1347 C ILE A 87 -9.717 -2.192 -5.202 1.00 0.00 C ATOM 1348 O ILE A 87 -8.972 -3.164 -5.179 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.115 -0.430 -3.410 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.508 0.980 -3.212 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.291 -1.467 -2.653 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -7.857 1.258 -1.847 1.00 0.00 C ATOM 0 H ILE A 87 -10.396 0.866 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.110 -0.817 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.133 -0.426 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.759 1.141 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.296 1.717 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.269 -1.211 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.741 -2.452 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.274 -1.480 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.469 2.276 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.600 1.139 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.040 0.555 -1.684 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.009 -2.342 -5.508 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.536 -3.594 -6.049 1.00 0.00 C ATOM 1366 C ASN A 88 -10.956 -3.802 -7.436 1.00 0.00 C ATOM 1367 O ASN A 88 -10.415 -4.863 -7.749 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.061 -3.552 -6.218 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.845 -3.696 -4.919 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.679 -4.584 -4.791 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.589 -2.879 -3.911 1.00 0.00 N ATOM 0 H ASN A 88 -11.709 -1.609 -5.389 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.269 -4.389 -5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.336 -2.609 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.361 -4.349 -6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.086 -2.988 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.895 -2.140 -4.018 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.166 -2.788 -8.277 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.078 -2.907 -9.711 1.00 0.00 C ATOM 1380 C LYS A 89 -9.676 -3.296 -10.146 1.00 0.00 C ATOM 1381 O LYS A 89 -9.526 -4.215 -10.956 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.544 -1.605 -10.360 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.655 -1.874 -11.375 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.218 -2.714 -12.584 1.00 0.00 C ATOM 1385 CE LYS A 89 -11.143 -2.022 -13.431 1.00 0.00 C ATOM 1386 NZ LYS A 89 -10.471 -2.970 -14.340 1.00 0.00 N ATOM 0 H LYS A 89 -11.406 -1.848 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.736 -3.709 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.904 -0.919 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.703 -1.118 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.476 -2.384 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.044 -0.920 -11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.837 -3.674 -12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.087 -2.924 -13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.598 -1.220 -14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.404 -1.560 -12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.463 -3.033 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.909 -3.909 -14.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.567 -2.638 -15.321 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.670 -2.567 -9.668 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.270 -2.795 -9.993 1.00 0.00 C ATOM 1402 C ASP A 90 -6.413 -2.267 -8.839 1.00 0.00 C ATOM 1403 O ASP A 90 -5.833 -1.183 -8.958 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.902 -2.135 -11.346 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.896 -3.139 -12.490 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -6.140 -4.141 -12.398 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -7.618 -2.932 -13.493 1.00 0.00 O ATOM 0 H ASP A 90 -8.812 -1.784 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.080 -3.862 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.614 -1.339 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.919 -1.670 -11.267 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.317 -2.990 -7.706 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.594 -2.500 -6.532 1.00 0.00 C ATOM 1414 C PRO A 91 -4.100 -2.327 -6.781 1.00 0.00 C ATOM 1415 O PRO A 91 -3.458 -1.521 -6.107 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.804 -3.540 -5.430 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.212 -4.798 -6.183 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.958 -4.265 -7.402 1.00 0.00 C ATOM 0 HA PRO A 91 -5.975 -1.515 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.893 -3.698 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.577 -3.227 -4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.344 -5.390 -6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.848 -5.441 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.885 -4.955 -8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.019 -4.133 -7.190 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.533 -3.062 -7.737 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.102 -3.078 -8.014 1.00 0.00 C ATOM 1428 C GLU A 92 -1.812 -2.526 -9.421 1.00 0.00 C ATOM 1429 O GLU A 92 -0.710 -2.702 -9.958 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.467 -4.449 -7.703 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.310 -5.471 -6.898 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.551 -6.771 -6.594 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.658 -7.139 -7.394 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -1.826 -7.450 -5.579 1.00 0.00 O ATOM 0 H GLU A 92 -4.069 -3.675 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.601 -2.396 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.193 -4.913 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.542 -4.273 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.626 -5.014 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.215 -5.708 -7.458 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.808 -1.855 -10.009 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.746 -1.177 -11.285 1.00 0.00 C ATOM 1443 C GLY A 93 -2.977 0.324 -11.127 1.00 0.00 C ATOM 1444 O GLY A 93 -2.063 1.103 -11.418 1.00 0.00 O ATOM 0 H GLY A 93 -3.726 -1.773 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.773 -1.351 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.496 -1.594 -11.958 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.177 0.745 -10.718 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.559 2.154 -10.595 1.00 0.00 C ATOM 1450 C GLU A 94 -5.074 2.540 -9.214 1.00 0.00 C ATOM 1451 O GLU A 94 -4.954 3.708 -8.848 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.601 2.509 -11.667 1.00 0.00 C ATOM 1453 CG GLU A 94 -4.912 2.610 -13.027 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.613 3.560 -13.995 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -5.455 4.796 -13.877 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -6.342 3.050 -14.884 1.00 0.00 O ATOM 0 H GLU A 94 -4.925 0.102 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.646 2.731 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.382 1.749 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.086 3.454 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.885 2.945 -12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.863 1.618 -13.475 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.591 1.605 -8.419 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.102 1.879 -7.085 1.00 0.00 C ATOM 1465 C GLY A 95 -4.985 1.934 -6.049 1.00 0.00 C ATOM 1466 O GLY A 95 -5.143 1.404 -4.949 1.00 0.00 O ATOM 0 H GLY A 95 -5.666 0.625 -8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.640 2.827 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.819 1.107 -6.805 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.845 2.541 -6.394 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.815 2.840 -5.417 1.00 0.00 C ATOM 1472 C TRP A 96 -3.366 3.900 -4.483 1.00 0.00 C ATOM 1473 O TRP A 96 -4.223 4.700 -4.862 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.501 3.302 -6.060 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.534 4.555 -6.884 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.003 4.622 -8.146 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.110 5.918 -6.550 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -1.930 5.916 -8.605 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.383 6.759 -7.670 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.555 6.550 -5.415 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.127 8.136 -7.662 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.308 7.943 -5.385 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.578 8.729 -6.518 1.00 0.00 C ATOM 0 H TRP A 96 -3.620 2.832 -7.345 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.567 1.930 -4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.769 3.442 -5.265 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.134 2.494 -6.692 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.380 3.784 -8.713 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.244 6.214 -9.529 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.313 5.954 -4.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.351 8.736 -8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 0.088 8.402 -4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.363 9.787 -6.507 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.856 3.896 -3.258 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.328 4.792 -2.221 1.00 0.00 C ATOM 1496 C LEU A 97 -2.431 6.026 -2.243 1.00 0.00 C ATOM 1497 O LEU A 97 -2.877 7.151 -2.455 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.251 4.092 -0.860 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.004 2.757 -0.706 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.224 1.860 0.255 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.397 2.958 -0.114 1.00 0.00 C ATOM 0 H LEU A 97 -2.106 3.272 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.366 5.079 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.200 3.914 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.629 4.781 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.098 2.312 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.747 0.911 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.227 1.677 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.141 2.351 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.896 1.993 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.311 3.418 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.980 3.606 -0.768 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.134 5.811 -2.024 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.142 6.854 -1.849 1.00 0.00 C ATOM 1515 C PHE A 98 1.214 6.373 -2.366 1.00 0.00 C ATOM 1516 O PHE A 98 1.411 5.186 -2.646 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.086 7.251 -0.365 1.00 0.00 C ATOM 1518 CG PHE A 98 0.202 6.098 0.579 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.525 5.715 0.846 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.851 5.374 1.162 1.00 0.00 C ATOM 1521 CE1 PHE A 98 1.782 4.659 1.734 1.00 0.00 C ATOM 1522 CE2 PHE A 98 -0.585 4.245 1.955 1.00 0.00 C ATOM 1523 CZ PHE A 98 0.733 3.903 2.274 1.00 0.00 C ATOM 0 H PHE A 98 -0.739 4.873 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.415 7.738 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.682 8.013 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.037 7.705 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.344 6.232 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.872 5.687 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.801 4.426 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.401 3.639 2.320 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.939 3.068 2.927 1.00 0.00 H new ATOM 1533 N LYS A 99 2.157 7.302 -2.484 1.00 0.00 N ATOM 1534 CA LYS A 99 3.541 7.054 -2.847 1.00 0.00 C ATOM 1535 C LYS A 99 4.412 7.819 -1.874 1.00 0.00 C ATOM 1536 O LYS A 99 3.990 8.826 -1.289 1.00 0.00 O ATOM 1537 CB LYS A 99 3.832 7.536 -4.267 1.00 0.00 C ATOM 1538 CG LYS A 99 3.148 6.742 -5.383 1.00 0.00 C ATOM 1539 CD LYS A 99 2.962 7.593 -6.636 1.00 0.00 C ATOM 1540 CE LYS A 99 2.245 6.807 -7.729 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.131 7.612 -8.961 1.00 0.00 N ATOM 0 H LYS A 99 1.965 8.291 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 99 3.743 5.984 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.528 8.580 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.909 7.504 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.744 5.862 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.178 6.385 -5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.389 8.487 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.933 7.927 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.790 5.887 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.252 6.518 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.138 7.637 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.460 8.581 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.715 7.186 -9.709 1.00 0.00 H new ATOM 1555 N MET A 100 5.636 7.348 -1.700 1.00 0.00 N ATOM 1556 CA MET A 100 6.493 7.819 -0.636 1.00 0.00 C ATOM 1557 C MET A 100 7.956 7.762 -1.067 1.00 0.00 C ATOM 1558 O MET A 100 8.347 6.890 -1.845 1.00 0.00 O ATOM 1559 CB MET A 100 6.181 7.033 0.654 1.00 0.00 C ATOM 1560 CG MET A 100 5.651 5.583 0.544 1.00 0.00 C ATOM 1561 SD MET A 100 5.299 4.764 2.133 1.00 0.00 S ATOM 1562 CE MET A 100 6.742 5.097 3.170 1.00 0.00 C ATOM 0 H MET A 100 6.058 6.632 -2.292 1.00 0.00 H new ATOM 0 HA MET A 100 6.297 8.869 -0.417 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.093 7.005 1.250 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.448 7.608 1.220 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.739 5.591 -0.053 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.383 4.986 -0.000 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.603 4.634 4.147 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.633 4.685 2.697 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.861 6.173 3.293 1.00 0.00 H new ATOM 1572 N GLU A 101 8.731 8.745 -0.605 1.00 0.00 N ATOM 1573 CA GLU A 101 10.166 8.909 -0.806 1.00 0.00 C ATOM 1574 C GLU A 101 10.885 7.893 0.084 1.00 0.00 C ATOM 1575 O GLU A 101 10.769 7.968 1.315 1.00 0.00 O ATOM 1576 CB GLU A 101 10.518 10.355 -0.421 1.00 0.00 C ATOM 1577 CG GLU A 101 11.974 10.755 -0.681 1.00 0.00 C ATOM 1578 CD GLU A 101 12.234 12.176 -0.150 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.331 12.386 1.090 1.00 0.00 O ATOM 1580 OE2 GLU A 101 12.320 13.123 -0.965 1.00 0.00 O ATOM 0 H GLU A 101 8.341 9.500 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 101 10.469 8.734 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.866 11.032 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.301 10.497 0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.646 10.048 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.186 10.713 -1.749 1.00 0.00 H new ATOM 1587 N ILE A 102 11.587 6.919 -0.505 1.00 0.00 N ATOM 1588 CA ILE A 102 12.115 5.800 0.262 1.00 0.00 C ATOM 1589 C ILE A 102 13.282 6.235 1.160 1.00 0.00 C ATOM 1590 O ILE A 102 14.326 6.687 0.688 1.00 0.00 O ATOM 1591 CB ILE A 102 12.438 4.585 -0.627 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.423 4.911 -1.767 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.153 3.967 -1.215 1.00 0.00 C ATOM 1594 CD1 ILE A 102 14.094 3.663 -2.317 1.00 0.00 C ATOM 0 H ILE A 102 11.798 6.888 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 102 11.328 5.459 0.935 1.00 0.00 H new ATOM 0 HB ILE A 102 12.925 3.862 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.891 5.420 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.184 5.600 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.413 3.111 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.502 3.641 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.635 4.712 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.779 3.941 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.649 3.167 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.336 2.984 -2.708 1.00 0.00 H new ATOM 1606 N SER A 103 13.115 6.104 2.476 1.00 0.00 N ATOM 1607 CA SER A 103 14.180 6.379 3.427 1.00 0.00 C ATOM 1608 C SER A 103 15.199 5.247 3.514 1.00 0.00 C ATOM 1609 O SER A 103 16.339 5.506 3.897 1.00 0.00 O ATOM 1610 CB SER A 103 13.566 6.607 4.805 1.00 0.00 C ATOM 1611 OG SER A 103 12.984 7.894 4.820 1.00 0.00 O ATOM 0 H SER A 103 12.240 5.805 2.907 1.00 0.00 H new ATOM 0 HA SER A 103 14.710 7.266 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.814 5.847 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.329 6.525 5.579 1.00 0.00 H new ATOM 0 HG SER A 103 12.870 8.191 5.747 1.00 0.00 H new ATOM 1617 N ASP A 104 14.799 4.014 3.197 1.00 0.00 N ATOM 1618 CA ASP A 104 15.593 2.824 3.470 1.00 0.00 C ATOM 1619 C ASP A 104 15.329 1.814 2.363 1.00 0.00 C ATOM 1620 O ASP A 104 14.463 0.947 2.499 1.00 0.00 O ATOM 1621 CB ASP A 104 15.235 2.209 4.841 1.00 0.00 C ATOM 1622 CG ASP A 104 15.965 2.839 6.019 1.00 0.00 C ATOM 1623 OD1 ASP A 104 17.213 2.703 6.088 1.00 0.00 O ATOM 1624 OD2 ASP A 104 15.276 3.356 6.924 1.00 0.00 O ATOM 0 H ASP A 104 13.908 3.816 2.741 1.00 0.00 H new ATOM 0 HA ASP A 104 16.648 3.096 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.161 2.305 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 104 15.459 1.143 4.818 1.00 0.00 H new ATOM 1629 N GLU A 105 16.038 1.918 1.244 1.00 0.00 N ATOM 1630 CA GLU A 105 15.948 0.915 0.180 1.00 0.00 C ATOM 1631 C GLU A 105 16.547 -0.435 0.647 1.00 0.00 C ATOM 1632 O GLU A 105 16.420 -1.453 -0.032 1.00 0.00 O ATOM 1633 CB GLU A 105 16.541 1.502 -1.127 1.00 0.00 C ATOM 1634 CG GLU A 105 17.882 0.935 -1.623 1.00 0.00 C ATOM 1635 CD GLU A 105 18.021 0.782 -3.144 1.00 0.00 C ATOM 1636 OE1 GLU A 105 17.144 0.147 -3.777 1.00 0.00 O ATOM 1637 OE2 GLU A 105 19.128 1.062 -3.669 1.00 0.00 O ATOM 0 H GLU A 105 16.682 2.684 1.047 1.00 0.00 H new ATOM 0 HA GLU A 105 14.910 0.675 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.806 1.365 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.663 2.576 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.683 1.583 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.034 -0.041 -1.163 1.00 0.00 H new ATOM 1644 N GLY A 106 17.193 -0.459 1.815 1.00 0.00 N ATOM 1645 CA GLY A 106 17.853 -1.630 2.353 1.00 0.00 C ATOM 1646 C GLY A 106 16.960 -2.435 3.292 1.00 0.00 C ATOM 1647 O GLY A 106 17.035 -3.663 3.272 1.00 0.00 O ATOM 0 H GLY A 106 17.268 0.359 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.177 -2.269 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.750 -1.321 2.889 1.00 0.00 H new ATOM 1651 N GLU A 107 16.042 -1.792 4.030 1.00 0.00 N ATOM 1652 CA GLU A 107 15.022 -2.530 4.783 1.00 0.00 C ATOM 1653 C GLU A 107 14.051 -3.252 3.841 1.00 0.00 C ATOM 1654 O GLU A 107 13.208 -4.011 4.319 1.00 0.00 O ATOM 1655 CB GLU A 107 14.225 -1.632 5.751 1.00 0.00 C ATOM 1656 CG GLU A 107 14.914 -1.412 7.109 1.00 0.00 C ATOM 1657 CD GLU A 107 13.913 -1.151 8.244 1.00 0.00 C ATOM 1658 OE1 GLU A 107 12.930 -0.403 8.052 1.00 0.00 O ATOM 1659 OE2 GLU A 107 14.090 -1.686 9.368 1.00 0.00 O ATOM 0 H GLU A 107 15.986 -0.777 4.120 1.00 0.00 H new ATOM 0 HA GLU A 107 15.565 -3.263 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.058 -0.664 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.245 -2.077 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.515 -2.288 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.599 -0.567 7.032 1.00 0.00 H new ATOM 1666 N LEU A 108 14.149 -3.058 2.519 1.00 0.00 N ATOM 1667 CA LEU A 108 13.342 -3.831 1.592 1.00 0.00 C ATOM 1668 C LEU A 108 13.631 -5.323 1.733 1.00 0.00 C ATOM 1669 O LEU A 108 12.702 -6.117 1.580 1.00 0.00 O ATOM 1670 CB LEU A 108 13.592 -3.463 0.127 1.00 0.00 C ATOM 1671 CG LEU A 108 13.312 -2.036 -0.352 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.398 -1.980 -1.873 1.00 0.00 C ATOM 1673 CD2 LEU A 108 11.979 -1.461 0.076 1.00 0.00 C ATOM 0 H LEU A 108 14.773 -2.380 2.081 1.00 0.00 H new ATOM 0 HA LEU A 108 12.309 -3.598 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.638 -3.681 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.992 -4.136 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 108 14.075 -1.423 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.198 -0.963 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.396 -2.279 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.661 -2.657 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.878 -0.448 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.173 -2.082 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.925 -1.438 1.164 1.00 0.00 H new ATOM 1685 N GLU A 109 14.883 -5.691 2.028 1.00 0.00 N ATOM 1686 CA GLU A 109 15.337 -7.068 2.208 1.00 0.00 C ATOM 1687 C GLU A 109 14.599 -7.755 3.363 1.00 0.00 C ATOM 1688 O GLU A 109 14.539 -8.986 3.417 1.00 0.00 O ATOM 1689 CB GLU A 109 16.845 -7.072 2.515 1.00 0.00 C ATOM 1690 CG GLU A 109 17.747 -6.666 1.338 1.00 0.00 C ATOM 1691 CD GLU A 109 17.717 -7.644 0.160 1.00 0.00 C ATOM 1692 OE1 GLU A 109 17.488 -8.861 0.371 1.00 0.00 O ATOM 1693 OE2 GLU A 109 17.927 -7.179 -0.981 1.00 0.00 O ATOM 0 H GLU A 109 15.633 -5.010 2.152 1.00 0.00 H new ATOM 0 HA GLU A 109 15.129 -7.614 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.033 -6.395 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.131 -8.071 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.444 -5.680 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.773 -6.575 1.695 1.00 0.00 H new ATOM 1700 N ASP A 110 14.016 -6.979 4.279 1.00 0.00 N ATOM 1701 CA ASP A 110 13.331 -7.489 5.457 1.00 0.00 C ATOM 1702 C ASP A 110 11.883 -7.892 5.135 1.00 0.00 C ATOM 1703 O ASP A 110 11.207 -8.448 6.005 1.00 0.00 O ATOM 1704 CB ASP A 110 13.401 -6.424 6.571 1.00 0.00 C ATOM 1705 CG ASP A 110 13.439 -7.010 7.986 1.00 0.00 C ATOM 1706 OD1 ASP A 110 14.186 -7.994 8.218 1.00 0.00 O ATOM 1707 OD2 ASP A 110 12.845 -6.398 8.907 1.00 0.00 O ATOM 0 H ASP A 110 14.009 -5.961 4.217 1.00 0.00 H new ATOM 0 HA ASP A 110 13.827 -8.396 5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.289 -5.810 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.538 -5.764 6.484 1.00 0.00 H new ATOM 1712 N LEU A 111 11.389 -7.627 3.910 1.00 0.00 N ATOM 1713 CA LEU A 111 10.031 -7.975 3.487 1.00 0.00 C ATOM 1714 C LEU A 111 10.013 -9.208 2.586 1.00 0.00 C ATOM 1715 O LEU A 111 11.044 -9.776 2.214 1.00 0.00 O ATOM 1716 CB LEU A 111 9.382 -6.801 2.746 1.00 0.00 C ATOM 1717 CG LEU A 111 9.245 -5.469 3.492 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.256 -4.600 2.705 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.721 -5.600 4.926 1.00 0.00 C ATOM 0 H LEU A 111 11.932 -7.160 3.184 1.00 0.00 H new ATOM 0 HA LEU A 111 9.464 -8.201 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.958 -6.618 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.386 -7.113 2.433 1.00 0.00 H new ATOM 0 HG LEU A 111 10.243 -5.037 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.134 -3.641 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.638 -4.435 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.292 -5.106 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.655 -4.612 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.733 -6.060 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.402 -6.222 5.507 1.00 0.00 H new ATOM 1731 N LEU A 112 8.793 -9.620 2.237 1.00 0.00 N ATOM 1732 CA LEU A 112 8.502 -10.819 1.476 1.00 0.00 C ATOM 1733 C LEU A 112 8.830 -10.590 0.008 1.00 0.00 C ATOM 1734 O LEU A 112 8.568 -9.519 -0.552 1.00 0.00 O ATOM 1735 CB LEU A 112 7.009 -11.156 1.590 1.00 0.00 C ATOM 1736 CG LEU A 112 6.565 -11.501 3.022 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.073 -11.228 3.169 1.00 0.00 C ATOM 1738 CD2 LEU A 112 6.869 -12.960 3.373 1.00 0.00 C ATOM 0 H LEU A 112 7.952 -9.101 2.491 1.00 0.00 H new ATOM 0 HA LEU A 112 9.103 -11.638 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.425 -10.308 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.784 -11.998 0.936 1.00 0.00 H new ATOM 0 HG LEU A 112 7.127 -10.873 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.757 -11.472 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.875 -10.175 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.519 -11.842 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.541 -13.165 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.341 -13.618 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.942 -13.137 3.295 1.00 0.00 H new ATOM 1750 N ASP A 113 9.331 -11.652 -0.615 1.00 0.00 N ATOM 1751 CA ASP A 113 9.390 -11.812 -2.061 1.00 0.00 C ATOM 1752 C ASP A 113 7.980 -12.030 -2.605 1.00 0.00 C ATOM 1753 O ASP A 113 7.029 -12.236 -1.860 1.00 0.00 O ATOM 1754 CB ASP A 113 10.293 -13.002 -2.418 1.00 0.00 C ATOM 1755 CG ASP A 113 11.727 -12.725 -1.999 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.304 -11.741 -2.507 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.245 -13.445 -1.111 1.00 0.00 O ATOM 0 H ASP A 113 9.719 -12.449 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 113 9.809 -10.912 -2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.931 -13.903 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.251 -13.189 -3.491 1.00 0.00 H new ATOM 1762 N GLU A 114 7.841 -12.030 -3.921 1.00 0.00 N ATOM 1763 CA GLU A 114 6.588 -12.114 -4.661 1.00 0.00 C ATOM 1764 C GLU A 114 5.998 -13.518 -4.622 1.00 0.00 C ATOM 1765 O GLU A 114 4.780 -13.662 -4.563 1.00 0.00 O ATOM 1766 CB GLU A 114 6.916 -11.682 -6.088 1.00 0.00 C ATOM 1767 CG GLU A 114 5.762 -11.621 -7.095 1.00 0.00 C ATOM 1768 CD GLU A 114 6.241 -10.995 -8.430 1.00 0.00 C ATOM 1769 OE1 GLU A 114 7.317 -10.346 -8.482 1.00 0.00 O ATOM 1770 OE2 GLU A 114 5.582 -11.215 -9.469 1.00 0.00 O ATOM 0 H GLU A 114 8.649 -11.968 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 114 5.828 -11.471 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.375 -10.694 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.669 -12.365 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.375 -12.624 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.943 -11.032 -6.683 1.00 0.00 H new ATOM 1777 N GLN A 115 6.837 -14.556 -4.622 1.00 0.00 N ATOM 1778 CA GLN A 115 6.402 -15.908 -4.364 1.00 0.00 C ATOM 1779 C GLN A 115 6.080 -16.045 -2.872 1.00 0.00 C ATOM 1780 O GLN A 115 5.023 -16.552 -2.504 1.00 0.00 O ATOM 1781 CB GLN A 115 7.532 -16.848 -4.802 1.00 0.00 C ATOM 1782 CG GLN A 115 7.388 -18.250 -4.221 1.00 0.00 C ATOM 1783 CD GLN A 115 8.397 -19.253 -4.776 1.00 0.00 C ATOM 1784 OE1 GLN A 115 9.075 -18.996 -5.776 1.00 0.00 O ATOM 1785 NE2 GLN A 115 8.498 -20.399 -4.132 1.00 0.00 N ATOM 0 H GLN A 115 7.837 -14.470 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 115 5.499 -16.163 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.547 -16.910 -5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.489 -16.428 -4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.500 -18.198 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.380 -18.614 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 115 7.921 -20.574 -3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.153 -21.110 -4.456 1.00 0.00 H new ATOM 1794 N ALA A 116 6.998 -15.590 -2.010 1.00 0.00 N ATOM 1795 CA ALA A 116 6.882 -15.733 -0.558 1.00 0.00 C ATOM 1796 C ALA A 116 5.612 -15.053 -0.044 1.00 0.00 C ATOM 1797 O ALA A 116 4.973 -15.526 0.891 1.00 0.00 O ATOM 1798 CB ALA A 116 8.112 -15.125 0.117 1.00 0.00 C ATOM 0 H ALA A 116 7.848 -15.109 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 116 6.822 -16.794 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.024 -15.232 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.008 -15.641 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.182 -14.068 -0.138 1.00 0.00 H new ATOM 1804 N TYR A 117 5.227 -13.961 -0.699 1.00 0.00 N ATOM 1805 CA TYR A 117 3.978 -13.259 -0.505 1.00 0.00 C ATOM 1806 C TYR A 117 2.769 -14.196 -0.634 1.00 0.00 C ATOM 1807 O TYR A 117 1.874 -14.167 0.212 1.00 0.00 O ATOM 1808 CB TYR A 117 3.954 -12.109 -1.525 1.00 0.00 C ATOM 1809 CG TYR A 117 2.587 -11.545 -1.804 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.790 -11.142 -0.727 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.079 -11.514 -3.114 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.441 -10.836 -0.928 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.738 -11.165 -3.332 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.107 -10.907 -2.225 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.457 -10.819 -2.366 1.00 0.00 O ATOM 0 H TYR A 117 5.812 -13.527 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 117 3.908 -12.860 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.596 -11.306 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.384 -12.463 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.218 -11.067 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.718 -11.758 -3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.179 -10.546 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.352 -11.093 -4.338 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.692 -10.882 -3.315 1.00 0.00 H new ATOM 1825 N GLN A 118 2.719 -15.024 -1.680 1.00 0.00 N ATOM 1826 CA GLN A 118 1.593 -15.922 -1.924 1.00 0.00 C ATOM 1827 C GLN A 118 1.622 -17.086 -0.934 1.00 0.00 C ATOM 1828 O GLN A 118 0.566 -17.546 -0.501 1.00 0.00 O ATOM 1829 CB GLN A 118 1.582 -16.459 -3.370 1.00 0.00 C ATOM 1830 CG GLN A 118 2.276 -15.551 -4.395 1.00 0.00 C ATOM 1831 CD GLN A 118 1.985 -15.974 -5.830 1.00 0.00 C ATOM 1832 OE1 GLN A 118 2.118 -17.148 -6.168 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.520 -15.081 -6.692 1.00 0.00 N ATOM 0 H GLN A 118 3.458 -15.089 -2.380 1.00 0.00 H new ATOM 0 HA GLN A 118 0.680 -15.344 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.065 -17.436 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.548 -16.610 -3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.947 -14.522 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 118 3.352 -15.569 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.411 -14.107 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.271 -15.367 -7.639 1.00 0.00 H new ATOM 1842 N GLU A 119 2.814 -17.560 -0.576 1.00 0.00 N ATOM 1843 CA GLU A 119 3.005 -18.600 0.442 1.00 0.00 C ATOM 1844 C GLU A 119 2.434 -18.131 1.790 1.00 0.00 C ATOM 1845 O GLU A 119 1.656 -18.849 2.424 1.00 0.00 O ATOM 1846 CB GLU A 119 4.490 -18.970 0.561 1.00 0.00 C ATOM 1847 CG GLU A 119 5.043 -19.637 -0.711 1.00 0.00 C ATOM 1848 CD GLU A 119 6.563 -19.839 -0.688 1.00 0.00 C ATOM 1849 OE1 GLU A 119 7.229 -19.529 0.338 1.00 0.00 O ATOM 1850 OE2 GLU A 119 7.109 -20.314 -1.713 1.00 0.00 O ATOM 0 H GLU A 119 3.687 -17.231 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 119 2.464 -19.497 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.068 -18.071 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.625 -19.644 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.558 -20.604 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.779 -19.027 -1.575 1.00 0.00 H new ATOM 1857 N PHE A 120 2.738 -16.890 2.188 1.00 0.00 N ATOM 1858 CA PHE A 120 2.215 -16.226 3.385 1.00 0.00 C ATOM 1859 C PHE A 120 0.680 -16.154 3.407 1.00 0.00 C ATOM 1860 O PHE A 120 0.089 -15.947 4.465 1.00 0.00 O ATOM 1861 CB PHE A 120 2.807 -14.815 3.461 1.00 0.00 C ATOM 1862 CG PHE A 120 2.659 -14.177 4.823 1.00 0.00 C ATOM 1863 CD1 PHE A 120 3.473 -14.613 5.878 1.00 0.00 C ATOM 1864 CD2 PHE A 120 1.672 -13.208 5.069 1.00 0.00 C ATOM 1865 CE1 PHE A 120 3.307 -14.080 7.163 1.00 0.00 C ATOM 1866 CE2 PHE A 120 1.524 -12.652 6.350 1.00 0.00 C ATOM 1867 CZ PHE A 120 2.343 -13.091 7.398 1.00 0.00 C ATOM 0 H PHE A 120 3.381 -16.298 1.663 1.00 0.00 H new ATOM 0 HA PHE A 120 2.509 -16.818 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.865 -14.858 3.201 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.321 -14.184 2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.230 -15.362 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.023 -12.888 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.925 -14.433 7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.781 -11.888 6.527 1.00 0.00 H new ATOM 0 HZ PHE A 120 2.232 -12.668 8.385 1.00 0.00 H new ATOM 1877 N CYS A 121 0.020 -16.307 2.256 1.00 0.00 N ATOM 1878 CA CYS A 121 -1.434 -16.280 2.147 1.00 0.00 C ATOM 1879 C CYS A 121 -2.070 -17.660 2.364 1.00 0.00 C ATOM 1880 O CYS A 121 -3.289 -17.739 2.554 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.801 -15.725 0.765 1.00 0.00 C ATOM 1882 SG CYS A 121 -3.439 -14.964 0.816 1.00 0.00 S ATOM 0 H CYS A 121 0.491 -16.455 1.363 1.00 0.00 H new ATOM 0 HA CYS A 121 -1.829 -15.640 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -1.060 -14.990 0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -1.787 -16.527 0.027 1.00 0.00 H new ATOM 0 HG CYS A 121 -3.737 -14.497 -0.360 1.00 0.00 H new ATOM 1888 N ALA A 122 -1.276 -18.736 2.312 1.00 0.00 N ATOM 1889 CA ALA A 122 -1.705 -20.097 2.612 1.00 0.00 C ATOM 1890 C ALA A 122 -1.464 -20.381 4.090 1.00 0.00 C ATOM 1891 O ALA A 122 -2.384 -20.807 4.783 1.00 0.00 O ATOM 1892 CB ALA A 122 -0.957 -21.107 1.734 1.00 0.00 C ATOM 0 H ALA A 122 -0.291 -18.677 2.052 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.769 -20.197 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.292 -22.116 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.161 -20.897 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 122 0.114 -21.027 1.919 1.00 0.00 H new ATOM 1898 N GLN A 123 -0.255 -20.118 4.599 1.00 0.00 N ATOM 1899 CA GLN A 123 0.045 -20.209 6.032 1.00 0.00 C ATOM 1900 C GLN A 123 -0.455 -18.956 6.774 1.00 0.00 C ATOM 1901 O GLN A 123 0.248 -18.358 7.595 1.00 0.00 O ATOM 1902 CB GLN A 123 1.532 -20.519 6.278 1.00 0.00 C ATOM 1903 CG GLN A 123 2.510 -19.534 5.617 1.00 0.00 C ATOM 1904 CD GLN A 123 3.816 -19.328 6.387 1.00 0.00 C ATOM 1905 OE1 GLN A 123 4.391 -18.240 6.335 1.00 0.00 O ATOM 1906 NE2 GLN A 123 4.332 -20.317 7.101 1.00 0.00 N ATOM 0 H GLN A 123 0.543 -19.836 4.029 1.00 0.00 H new ATOM 0 HA GLN A 123 -0.502 -21.053 6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.715 -20.526 7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.746 -21.523 5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 123 2.746 -19.892 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.014 -18.570 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.855 -21.218 7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.206 -20.178 7.608 1.00 0.00 H new ATOM 1915 N GLU A 124 -1.681 -18.547 6.468 1.00 0.00 N ATOM 1916 CA GLU A 124 -2.456 -17.576 7.207 1.00 0.00 C ATOM 1917 C GLU A 124 -3.567 -18.371 7.856 1.00 0.00 C ATOM 1918 O GLU A 124 -3.595 -18.451 9.098 1.00 0.00 O ATOM 1919 CB GLU A 124 -2.960 -16.494 6.242 1.00 0.00 C ATOM 1920 CG GLU A 124 -3.738 -15.366 6.933 1.00 0.00 C ATOM 1921 CD GLU A 124 -2.893 -14.496 7.878 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -1.665 -14.318 7.659 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -3.473 -13.923 8.825 1.00 0.00 O ATOM 0 H GLU A 124 -2.181 -18.907 5.655 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.889 -17.046 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.108 -16.065 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -3.600 -16.958 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.181 -14.727 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.560 -15.803 7.500 1.00 0.00 H new TER 1930 GLU A 124