USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 981 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 63 GLN : amide:sc= -3.93! C(o=-2.2!,f=-2.8!) USER MOD Set 1.2: A 90 SER OG : rot 76:sc= 1.77 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.504 K(o=0.5,f=-3.4!) USER MOD Set 3.1: A 53 THR OG1 : rot 120:sc= 1.18 USER MOD Set 3.2: A 107 LYS NZ :NH3+ 151:sc= -0.893 (180deg=-2.55!) USER MOD Set 3.3: A 108 ASN : amide:sc= -1.11! K(o=-0.81!,f=-4.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0507) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.34) USER MOD Single : A 11 THR OG1 : rot 90:sc= -0.178 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00678 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0.753 (180deg=0.647) USER MOD Single : A 25 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.6) USER MOD Single : A 31 GLN :FLIP amide:sc= -4.52! C(o=-9.6!,f=-4.5!) USER MOD Single : A 32 SER OG : rot 41:sc= -0.263 USER MOD Single : A 37 THR OG1 : rot 107:sc= 1.41 USER MOD Single : A 42 ASN : amide:sc= -5.03! C(o=-5!,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0522 K(o=-0.052,f=-1.4!) USER MOD Single : A 69 LYS NZ :NH3+ 167:sc=-0.00218 (180deg=-0.156) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.0028) USER MOD Single : A 77 TYR OH : rot 113:sc= 0.471 USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 0.41 (180deg=-0.165) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 94 SER OG : rot 126:sc= 1.19 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 99 HIS : no HD1:sc=-0.00598 X(o=-0.006,f=-0.006) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.071 F(o=-1.4!,f=-0.071) USER MOD Single : A 110 THR OG1 : rot -52:sc= 1.25 USER MOD Single : A 120 ASN : amide:sc= 0.415 K(o=0.41,f=-1.6) USER MOD Single : A 124 HIS : +bothHN:sc= 0.214 K(o=0.21,f=-4.5!) USER MOD Single : A 128 THR OG1 : rot 89:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.393 11.325 -8.051 1.00 0.00 N ATOM 2 CA MET A 1 -20.129 12.026 -7.727 1.00 0.00 C ATOM 3 C MET A 1 -19.670 11.661 -6.323 1.00 0.00 C ATOM 4 O MET A 1 -19.936 12.381 -5.360 1.00 0.00 O ATOM 5 CB MET A 1 -20.301 13.546 -7.839 1.00 0.00 C ATOM 6 CG MET A 1 -20.660 14.021 -9.236 1.00 0.00 C ATOM 7 SD MET A 1 -19.431 13.546 -10.464 1.00 0.00 S ATOM 8 CE MET A 1 -20.141 14.266 -11.941 1.00 0.00 C ATOM 0 H1 MET A 1 -21.634 11.487 -9.050 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.277 10.305 -7.884 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.157 11.690 -7.447 1.00 0.00 H new ATOM 0 HA MET A 1 -19.373 11.710 -8.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.078 13.866 -7.145 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.376 14.031 -7.527 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.629 13.609 -9.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.764 15.106 -9.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.495 14.058 -12.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.126 13.835 -12.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.235 15.344 -11.811 1.00 0.00 H new ATOM 20 N ALA A 2 -18.995 10.531 -6.210 1.00 0.00 N ATOM 21 CA ALA A 2 -18.479 10.073 -4.932 1.00 0.00 C ATOM 22 C ALA A 2 -17.146 9.371 -5.130 1.00 0.00 C ATOM 23 O ALA A 2 -16.904 8.773 -6.178 1.00 0.00 O ATOM 24 CB ALA A 2 -19.479 9.140 -4.263 1.00 0.00 C ATOM 0 H ALA A 2 -18.790 9.910 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.326 10.936 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.079 8.804 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.417 9.670 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.657 8.277 -4.905 1.00 0.00 H new ATOM 30 N THR A 3 -16.279 9.469 -4.134 1.00 0.00 N ATOM 31 CA THR A 3 -14.982 8.808 -4.172 1.00 0.00 C ATOM 32 C THR A 3 -15.159 7.292 -4.274 1.00 0.00 C ATOM 33 O THR A 3 -16.092 6.728 -3.700 1.00 0.00 O ATOM 34 CB THR A 3 -14.187 9.147 -2.897 1.00 0.00 C ATOM 35 OG1 THR A 3 -14.236 10.558 -2.663 1.00 0.00 O ATOM 36 CG2 THR A 3 -12.738 8.706 -3.015 1.00 0.00 C ATOM 0 H THR A 3 -16.451 10.004 -3.283 1.00 0.00 H new ATOM 0 HA THR A 3 -14.437 9.161 -5.047 1.00 0.00 H new ATOM 0 HB THR A 3 -14.641 8.612 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.731 10.773 -1.851 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.205 8.960 -2.099 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.697 7.628 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.271 9.213 -3.859 1.00 0.00 H new ATOM 44 N ILE A 4 -14.248 6.641 -5.002 1.00 0.00 N ATOM 45 CA ILE A 4 -14.322 5.197 -5.251 1.00 0.00 C ATOM 46 C ILE A 4 -14.345 4.373 -3.964 1.00 0.00 C ATOM 47 O ILE A 4 -14.761 3.218 -3.973 1.00 0.00 O ATOM 48 CB ILE A 4 -13.173 4.702 -6.169 1.00 0.00 C ATOM 49 CG1 ILE A 4 -11.831 5.381 -5.842 1.00 0.00 C ATOM 50 CG2 ILE A 4 -13.536 4.928 -7.628 1.00 0.00 C ATOM 51 CD1 ILE A 4 -11.192 4.931 -4.544 1.00 0.00 C ATOM 0 H ILE A 4 -13.443 7.095 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.271 5.043 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 4 -13.047 3.635 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.135 5.191 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.986 6.459 -5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -12.723 4.577 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -14.446 4.377 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -13.699 5.992 -7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.252 5.463 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.864 5.147 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.000 3.859 -4.586 1.00 0.00 H new ATOM 63 N VAL A 5 -13.894 4.964 -2.870 1.00 0.00 N ATOM 64 CA VAL A 5 -13.945 4.312 -1.578 1.00 0.00 C ATOM 65 C VAL A 5 -15.256 4.642 -0.873 1.00 0.00 C ATOM 66 O VAL A 5 -15.844 3.804 -0.197 1.00 0.00 O ATOM 67 CB VAL A 5 -12.758 4.726 -0.685 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.548 6.228 -0.695 1.00 0.00 C ATOM 69 CG2 VAL A 5 -12.978 4.228 0.718 1.00 0.00 C ATOM 0 H VAL A 5 -13.487 5.899 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.882 3.237 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.853 4.271 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.703 6.482 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.344 6.560 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.446 6.723 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.137 4.523 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.896 4.659 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.061 3.141 0.710 1.00 0.00 H new ATOM 79 N ASP A 6 -15.702 5.875 -1.046 1.00 0.00 N ATOM 80 CA ASP A 6 -16.952 6.341 -0.462 1.00 0.00 C ATOM 81 C ASP A 6 -18.098 5.462 -0.911 1.00 0.00 C ATOM 82 O ASP A 6 -18.884 4.967 -0.104 1.00 0.00 O ATOM 83 CB ASP A 6 -17.237 7.774 -0.896 1.00 0.00 C ATOM 84 CG ASP A 6 -18.499 8.329 -0.269 1.00 0.00 C ATOM 85 OD1 ASP A 6 -18.453 8.755 0.901 1.00 0.00 O ATOM 86 OD2 ASP A 6 -19.550 8.337 -0.943 1.00 0.00 O1- ATOM 0 H ASP A 6 -15.210 6.581 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.857 6.298 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.392 8.407 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.328 7.810 -1.982 1.00 0.00 H new ATOM 91 N ILE A 7 -18.164 5.282 -2.220 1.00 0.00 N ATOM 92 CA ILE A 7 -19.182 4.454 -2.847 1.00 0.00 C ATOM 93 C ILE A 7 -19.221 3.037 -2.267 1.00 0.00 C ATOM 94 O ILE A 7 -20.234 2.365 -2.362 1.00 0.00 O ATOM 95 CB ILE A 7 -18.961 4.378 -4.366 1.00 0.00 C ATOM 96 CG1 ILE A 7 -18.846 5.783 -4.937 1.00 0.00 C ATOM 97 CG2 ILE A 7 -20.112 3.637 -5.033 1.00 0.00 C ATOM 98 CD1 ILE A 7 -18.119 5.834 -6.257 1.00 0.00 C ATOM 0 H ILE A 7 -17.512 5.707 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 7 -20.141 4.929 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.038 3.833 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -19.846 6.199 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.326 6.418 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.941 3.592 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -20.174 2.625 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -21.046 4.163 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.073 6.865 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.107 5.448 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -18.650 5.226 -6.989 1.00 0.00 H new ATOM 110 N ALA A 8 -18.132 2.585 -1.655 1.00 0.00 N ATOM 111 CA ALA A 8 -18.108 1.259 -1.044 1.00 0.00 C ATOM 112 C ALA A 8 -19.199 1.137 0.020 1.00 0.00 C ATOM 113 O ALA A 8 -19.830 0.096 0.163 1.00 0.00 O ATOM 114 CB ALA A 8 -16.740 0.960 -0.452 1.00 0.00 C ATOM 0 H ALA A 8 -17.262 3.110 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.306 0.522 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.747 -0.033 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.987 0.997 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.504 1.702 0.311 1.00 0.00 H new ATOM 120 N VAL A 9 -19.425 2.213 0.763 1.00 0.00 N ATOM 121 CA VAL A 9 -20.509 2.252 1.742 1.00 0.00 C ATOM 122 C VAL A 9 -21.859 2.396 1.034 1.00 0.00 C ATOM 123 O VAL A 9 -22.902 1.996 1.551 1.00 0.00 O ATOM 124 CB VAL A 9 -20.322 3.421 2.736 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.374 3.379 3.833 1.00 0.00 C ATOM 126 CG2 VAL A 9 -18.926 3.397 3.336 1.00 0.00 C ATOM 0 H VAL A 9 -18.874 3.070 0.708 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.488 1.315 2.299 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.445 4.353 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.219 4.212 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.366 3.455 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.292 2.440 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.815 4.228 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.774 2.457 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.186 3.489 2.541 1.00 0.00 H new ATOM 136 N ASN A 10 -21.811 2.928 -0.175 1.00 0.00 N ATOM 137 CA ASN A 10 -23.010 3.239 -0.951 1.00 0.00 C ATOM 138 C ASN A 10 -23.482 2.037 -1.772 1.00 0.00 C ATOM 139 O ASN A 10 -24.667 1.915 -2.085 1.00 0.00 O ATOM 140 CB ASN A 10 -22.687 4.403 -1.894 1.00 0.00 C ATOM 141 CG ASN A 10 -23.860 4.876 -2.718 1.00 0.00 C ATOM 142 OD1 ASN A 10 -25.022 4.776 -2.316 1.00 0.00 O ATOM 143 ND2 ASN A 10 -23.552 5.423 -3.879 1.00 0.00 N ATOM 0 H ASN A 10 -20.939 3.159 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.812 3.504 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -22.310 5.239 -1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.884 4.099 -2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -24.289 5.784 -4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -22.577 5.485 -4.171 1.00 0.00 H new ATOM 150 N THR A 11 -22.557 1.142 -2.096 1.00 0.00 N ATOM 151 CA THR A 11 -22.824 0.054 -3.028 1.00 0.00 C ATOM 152 C THR A 11 -23.931 -0.877 -2.562 1.00 0.00 C ATOM 153 O THR A 11 -23.964 -1.290 -1.402 1.00 0.00 O ATOM 154 CB THR A 11 -21.568 -0.780 -3.296 1.00 0.00 C ATOM 155 OG1 THR A 11 -20.856 -1.012 -2.079 1.00 0.00 O ATOM 156 CG2 THR A 11 -20.666 -0.097 -4.309 1.00 0.00 C ATOM 0 H THR A 11 -21.608 1.149 -1.723 1.00 0.00 H new ATOM 0 HA THR A 11 -23.151 0.543 -3.946 1.00 0.00 H new ATOM 0 HB THR A 11 -21.881 -1.738 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.179 -1.839 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.782 -0.711 -4.481 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.205 0.033 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.363 0.878 -3.927 1.00 0.00 H new ATOM 164 N PRO A 12 -24.858 -1.222 -3.467 1.00 0.00 N ATOM 165 CA PRO A 12 -25.904 -2.195 -3.199 1.00 0.00 C ATOM 166 C PRO A 12 -25.407 -3.622 -3.375 1.00 0.00 C ATOM 167 O PRO A 12 -25.814 -4.328 -4.298 1.00 0.00 O ATOM 168 CB PRO A 12 -26.983 -1.871 -4.248 1.00 0.00 C ATOM 169 CG PRO A 12 -26.479 -0.687 -5.009 1.00 0.00 C ATOM 170 CD PRO A 12 -24.997 -0.683 -4.823 1.00 0.00 C ATOM 0 HA PRO A 12 -26.265 -2.134 -2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -27.148 -2.719 -4.912 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.937 -1.650 -3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.740 -0.761 -6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.922 0.236 -4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.491 -1.304 -5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -24.578 0.320 -4.908 1.00 0.00 H new ATOM 178 N GLY A 13 -24.508 -4.033 -2.499 1.00 0.00 N ATOM 179 CA GLY A 13 -24.027 -5.397 -2.529 1.00 0.00 C ATOM 180 C GLY A 13 -23.046 -5.629 -3.654 1.00 0.00 C ATOM 181 O GLY A 13 -23.182 -6.585 -4.415 1.00 0.00 O ATOM 0 H GLY A 13 -24.102 -3.449 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -23.550 -5.634 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -24.872 -6.077 -2.640 1.00 0.00 H new ATOM 185 N PHE A 14 -22.082 -4.725 -3.784 1.00 0.00 N ATOM 186 CA PHE A 14 -21.036 -4.860 -4.800 1.00 0.00 C ATOM 187 C PHE A 14 -20.127 -6.051 -4.507 1.00 0.00 C ATOM 188 O PHE A 14 -20.402 -6.861 -3.620 1.00 0.00 O ATOM 189 CB PHE A 14 -20.176 -3.598 -4.866 1.00 0.00 C ATOM 190 CG PHE A 14 -19.837 -3.162 -6.264 1.00 0.00 C ATOM 191 CD1 PHE A 14 -20.799 -2.572 -7.068 1.00 0.00 C ATOM 192 CD2 PHE A 14 -18.560 -3.337 -6.772 1.00 0.00 C ATOM 193 CE1 PHE A 14 -20.494 -2.167 -8.353 1.00 0.00 C ATOM 194 CE2 PHE A 14 -18.249 -2.933 -8.056 1.00 0.00 C ATOM 195 CZ PHE A 14 -19.217 -2.346 -8.846 1.00 0.00 C ATOM 0 H PHE A 14 -22.000 -3.891 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.539 -5.016 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.700 -2.787 -4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.251 -3.772 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.799 -2.427 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.799 -3.794 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.253 -1.711 -8.971 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.250 -3.076 -8.441 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.975 -2.027 -9.849 1.00 0.00 H new ATOM 205 N SER A 15 -19.042 -6.142 -5.258 1.00 0.00 N ATOM 206 CA SER A 15 -18.032 -7.160 -5.043 1.00 0.00 C ATOM 207 C SER A 15 -17.430 -7.030 -3.644 1.00 0.00 C ATOM 208 O SER A 15 -17.466 -5.959 -3.033 1.00 0.00 O ATOM 209 CB SER A 15 -16.941 -7.007 -6.099 1.00 0.00 C ATOM 210 OG SER A 15 -17.502 -6.976 -7.402 1.00 0.00 O ATOM 0 H SER A 15 -18.838 -5.511 -6.033 1.00 0.00 H new ATOM 0 HA SER A 15 -18.490 -8.146 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.379 -6.091 -5.918 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.235 -7.834 -6.022 1.00 0.00 H new ATOM 0 HG SER A 15 -16.786 -6.876 -8.064 1.00 0.00 H new ATOM 216 N THR A 16 -16.860 -8.128 -3.154 1.00 0.00 N ATOM 217 CA THR A 16 -16.312 -8.190 -1.806 1.00 0.00 C ATOM 218 C THR A 16 -15.192 -7.170 -1.614 1.00 0.00 C ATOM 219 O THR A 16 -14.849 -6.816 -0.488 1.00 0.00 O ATOM 220 CB THR A 16 -15.777 -9.604 -1.500 1.00 0.00 C ATOM 221 OG1 THR A 16 -16.685 -10.589 -2.013 1.00 0.00 O ATOM 222 CG2 THR A 16 -15.602 -9.814 -0.002 1.00 0.00 C ATOM 0 H THR A 16 -16.766 -8.997 -3.680 1.00 0.00 H new ATOM 0 HA THR A 16 -17.121 -7.953 -1.115 1.00 0.00 H new ATOM 0 HB THR A 16 -14.804 -9.708 -1.981 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.340 -11.485 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.224 -10.819 0.183 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.894 -9.083 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.563 -9.690 0.497 1.00 0.00 H new ATOM 230 N LEU A 17 -14.636 -6.698 -2.723 1.00 0.00 N ATOM 231 CA LEU A 17 -13.583 -5.691 -2.694 1.00 0.00 C ATOM 232 C LEU A 17 -14.045 -4.426 -1.976 1.00 0.00 C ATOM 233 O LEU A 17 -13.240 -3.736 -1.353 1.00 0.00 O ATOM 234 CB LEU A 17 -13.119 -5.331 -4.115 1.00 0.00 C ATOM 235 CG LEU A 17 -12.345 -6.418 -4.876 1.00 0.00 C ATOM 236 CD1 LEU A 17 -11.210 -6.971 -4.028 1.00 0.00 C ATOM 237 CD2 LEU A 17 -13.272 -7.533 -5.331 1.00 0.00 C ATOM 0 H LEU A 17 -14.900 -7.000 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.745 -6.122 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.996 -5.061 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.490 -4.443 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.912 -5.959 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.677 -7.739 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.522 -6.166 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.616 -7.405 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.697 -8.288 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.748 -7.988 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.037 -7.124 -5.991 1.00 0.00 H new ATOM 249 N VAL A 18 -15.343 -4.124 -2.041 1.00 0.00 N ATOM 250 CA VAL A 18 -15.847 -2.910 -1.411 1.00 0.00 C ATOM 251 C VAL A 18 -16.001 -3.131 0.077 1.00 0.00 C ATOM 252 O VAL A 18 -15.864 -2.208 0.878 1.00 0.00 O ATOM 253 CB VAL A 18 -17.196 -2.443 -2.002 1.00 0.00 C ATOM 254 CG1 VAL A 18 -17.134 -2.468 -3.514 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.365 -3.281 -1.488 1.00 0.00 C ATOM 0 H VAL A 18 -16.048 -4.691 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.117 -2.125 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.372 -1.419 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.089 -2.137 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.342 -1.802 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.926 -3.483 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.294 -2.919 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.215 -4.324 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.422 -3.199 -0.403 1.00 0.00 H new ATOM 265 N THR A 19 -16.281 -4.364 0.447 1.00 0.00 N ATOM 266 CA THR A 19 -16.476 -4.689 1.837 1.00 0.00 C ATOM 267 C THR A 19 -15.153 -4.932 2.529 1.00 0.00 C ATOM 268 O THR A 19 -15.026 -4.672 3.709 1.00 0.00 O ATOM 269 CB THR A 19 -17.387 -5.903 2.021 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.436 -5.864 1.044 1.00 0.00 O ATOM 271 CG2 THR A 19 -17.991 -5.895 3.418 1.00 0.00 C ATOM 0 H THR A 19 -16.377 -5.151 -0.195 1.00 0.00 H new ATOM 0 HA THR A 19 -16.965 -3.828 2.294 1.00 0.00 H new ATOM 0 HB THR A 19 -16.801 -6.813 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.020 -6.643 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.638 -6.763 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.193 -5.931 4.160 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.575 -4.985 3.557 1.00 0.00 H new ATOM 279 N ALA A 20 -14.168 -5.402 1.783 1.00 0.00 N ATOM 280 CA ALA A 20 -12.849 -5.667 2.338 1.00 0.00 C ATOM 281 C ALA A 20 -12.197 -4.391 2.872 1.00 0.00 C ATOM 282 O ALA A 20 -11.453 -4.434 3.841 1.00 0.00 O ATOM 283 CB ALA A 20 -11.988 -6.359 1.305 1.00 0.00 C ATOM 0 H ALA A 20 -14.256 -5.609 0.788 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.956 -6.335 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.002 -6.555 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.453 -7.301 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.888 -5.720 0.428 1.00 0.00 H new ATOM 289 N VAL A 21 -12.494 -3.252 2.263 1.00 0.00 N ATOM 290 CA VAL A 21 -12.070 -1.973 2.828 1.00 0.00 C ATOM 291 C VAL A 21 -13.033 -1.529 3.933 1.00 0.00 C ATOM 292 O VAL A 21 -12.609 -0.983 4.952 1.00 0.00 O ATOM 293 CB VAL A 21 -11.940 -0.865 1.755 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.071 -0.933 0.741 1.00 0.00 C ATOM 295 CG2 VAL A 21 -11.917 0.496 2.420 1.00 0.00 C ATOM 0 H VAL A 21 -13.019 -3.183 1.391 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.079 -2.128 3.254 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.004 -1.024 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.947 -0.140 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.053 -1.901 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.026 -0.807 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.825 1.271 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.841 0.644 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.068 0.554 3.101 1.00 0.00 H new ATOM 305 N LYS A 22 -14.323 -1.792 3.739 1.00 0.00 N ATOM 306 CA LYS A 22 -15.344 -1.433 4.715 1.00 0.00 C ATOM 307 C LYS A 22 -15.122 -2.154 6.040 1.00 0.00 C ATOM 308 O LYS A 22 -15.261 -1.570 7.112 1.00 0.00 O ATOM 309 CB LYS A 22 -16.740 -1.777 4.176 1.00 0.00 C ATOM 310 CG LYS A 22 -17.394 -0.662 3.389 1.00 0.00 C ATOM 311 CD LYS A 22 -18.811 -0.994 2.964 1.00 0.00 C ATOM 312 CE LYS A 22 -18.859 -2.105 1.933 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.240 -2.349 1.441 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.686 -2.257 2.907 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.272 -0.359 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.664 -2.659 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.385 -2.042 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.404 0.245 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.795 -0.449 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.390 -1.288 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.283 -0.101 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.215 -1.847 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.462 -3.022 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.264 -3.237 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.889 -2.419 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.534 -1.562 0.828 1.00 0.00 H new ATOM 327 N VAL A 23 -14.769 -3.421 5.946 1.00 0.00 N ATOM 328 CA VAL A 23 -14.539 -4.248 7.117 1.00 0.00 C ATOM 329 C VAL A 23 -13.204 -3.884 7.746 1.00 0.00 C ATOM 330 O VAL A 23 -13.049 -3.865 8.970 1.00 0.00 O ATOM 331 CB VAL A 23 -14.558 -5.747 6.755 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.481 -6.079 5.732 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.387 -6.580 8.005 1.00 0.00 C ATOM 0 H VAL A 23 -14.634 -3.906 5.059 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.343 -4.063 7.830 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.522 -5.982 6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.519 -7.143 5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.650 -5.500 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.502 -5.833 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.401 -7.638 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.435 -6.336 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.201 -6.367 8.698 1.00 0.00 H new ATOM 343 N ALA A 24 -12.254 -3.563 6.883 1.00 0.00 N ATOM 344 CA ALA A 24 -10.929 -3.162 7.308 1.00 0.00 C ATOM 345 C ALA A 24 -10.943 -1.755 7.868 1.00 0.00 C ATOM 346 O ALA A 24 -9.932 -1.275 8.344 1.00 0.00 O ATOM 347 CB ALA A 24 -9.971 -3.211 6.155 1.00 0.00 C ATOM 0 H ALA A 24 -12.382 -3.574 5.871 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.609 -3.857 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.980 -2.907 6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.925 -4.227 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.311 -2.535 5.371 1.00 0.00 H new ATOM 353 N ASN A 25 -12.096 -1.102 7.750 1.00 0.00 N ATOM 354 CA ASN A 25 -12.330 0.251 8.246 1.00 0.00 C ATOM 355 C ASN A 25 -11.523 1.317 7.495 1.00 0.00 C ATOM 356 O ASN A 25 -11.480 2.477 7.902 1.00 0.00 O ATOM 357 CB ASN A 25 -12.126 0.312 9.770 1.00 0.00 C ATOM 358 CG ASN A 25 -10.706 0.603 10.261 1.00 0.00 C ATOM 359 OD1 ASN A 25 -10.031 -0.285 10.779 1.00 0.00 O ATOM 360 ND2 ASN A 25 -10.245 1.833 10.123 1.00 0.00 N ATOM 0 H ASN A 25 -12.913 -1.509 7.296 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.372 0.495 8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.789 1.078 10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.445 -0.640 10.195 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.307 2.066 10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.827 2.550 9.689 1.00 0.00 H new ATOM 367 N LEU A 26 -10.949 0.950 6.355 1.00 0.00 N ATOM 368 CA LEU A 26 -10.186 1.910 5.560 1.00 0.00 C ATOM 369 C LEU A 26 -11.085 2.696 4.629 1.00 0.00 C ATOM 370 O LEU A 26 -10.607 3.435 3.768 1.00 0.00 O ATOM 371 CB LEU A 26 -9.066 1.241 4.766 1.00 0.00 C ATOM 372 CG LEU A 26 -7.756 1.085 5.532 1.00 0.00 C ATOM 373 CD1 LEU A 26 -7.922 0.098 6.662 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.635 0.665 4.603 1.00 0.00 C ATOM 0 H LEU A 26 -10.995 0.009 5.963 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.728 2.600 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.404 0.256 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.878 1.824 3.864 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.489 2.051 5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.979 -0.002 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.693 0.454 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.215 -0.871 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.711 0.560 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.885 -0.289 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.501 1.421 3.829 1.00 0.00 H new ATOM 386 N VAL A 27 -12.385 2.535 4.808 1.00 0.00 N ATOM 387 CA VAL A 27 -13.360 3.290 4.041 1.00 0.00 C ATOM 388 C VAL A 27 -13.141 4.786 4.232 1.00 0.00 C ATOM 389 O VAL A 27 -13.287 5.565 3.303 1.00 0.00 O ATOM 390 CB VAL A 27 -14.801 2.888 4.429 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.647 4.091 4.828 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.457 2.126 3.286 1.00 0.00 C ATOM 0 H VAL A 27 -12.791 1.885 5.481 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.223 3.055 2.986 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.738 2.240 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.651 3.758 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.192 4.588 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.704 4.789 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.472 1.847 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.489 2.758 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.881 1.226 3.070 1.00 0.00 H new ATOM 402 N GLU A 28 -12.777 5.174 5.438 1.00 0.00 N ATOM 403 CA GLU A 28 -12.451 6.567 5.725 1.00 0.00 C ATOM 404 C GLU A 28 -10.989 6.883 5.405 1.00 0.00 C ATOM 405 O GLU A 28 -10.627 8.040 5.200 1.00 0.00 O ATOM 406 CB GLU A 28 -12.755 6.888 7.184 1.00 0.00 C ATOM 407 CG GLU A 28 -12.401 5.761 8.135 1.00 0.00 C ATOM 408 CD GLU A 28 -12.492 6.178 9.585 1.00 0.00 C ATOM 409 OE1 GLU A 28 -13.621 6.365 10.086 1.00 0.00 O ATOM 410 OE2 GLU A 28 -11.436 6.326 10.229 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.698 4.548 6.239 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.071 7.193 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.205 7.784 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.816 7.118 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.070 4.918 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.390 5.415 7.923 1.00 0.00 H new ATOM 417 N ALA A 29 -10.159 5.853 5.346 1.00 0.00 N ATOM 418 CA ALA A 29 -8.736 6.030 5.114 1.00 0.00 C ATOM 419 C ALA A 29 -8.438 6.353 3.649 1.00 0.00 C ATOM 420 O ALA A 29 -7.798 7.360 3.347 1.00 0.00 O ATOM 421 CB ALA A 29 -7.968 4.791 5.560 1.00 0.00 C ATOM 0 H ALA A 29 -10.450 4.881 5.456 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.405 6.881 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.903 4.939 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.136 4.622 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.315 3.925 4.996 1.00 0.00 H new ATOM 427 N LEU A 30 -8.916 5.495 2.748 1.00 0.00 N ATOM 428 CA LEU A 30 -8.689 5.649 1.301 1.00 0.00 C ATOM 429 C LEU A 30 -9.224 6.980 0.756 1.00 0.00 C ATOM 430 O LEU A 30 -8.907 7.373 -0.367 1.00 0.00 O ATOM 431 CB LEU A 30 -9.359 4.517 0.531 1.00 0.00 C ATOM 432 CG LEU A 30 -9.105 3.111 1.061 1.00 0.00 C ATOM 433 CD1 LEU A 30 -9.721 2.096 0.126 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.623 2.842 1.235 1.00 0.00 C ATOM 0 H LEU A 30 -9.470 4.675 2.994 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.608 5.626 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.435 4.694 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.024 4.560 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.570 3.026 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.538 1.092 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.795 2.268 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.275 2.195 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.479 1.830 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.119 2.944 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.204 3.558 1.942 1.00 0.00 H new ATOM 446 N GLN A 31 -10.046 7.655 1.550 1.00 0.00 N ATOM 447 CA GLN A 31 -10.682 8.918 1.148 1.00 0.00 C ATOM 448 C GLN A 31 -9.658 10.043 0.973 1.00 0.00 C ATOM 449 O GLN A 31 -10.007 11.141 0.535 1.00 0.00 O ATOM 450 CB GLN A 31 -11.710 9.337 2.193 1.00 0.00 C ATOM 451 CG GLN A 31 -12.718 8.258 2.503 1.00 0.00 C ATOM 452 CD GLN A 31 -13.956 8.297 1.640 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.446 7.122 1.296 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.436 9.359 1.245 1.00 0.00 N flip ATOM 0 H GLN A 31 -10.295 7.349 2.491 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.168 8.747 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.192 9.616 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.235 10.225 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.239 7.286 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.015 8.344 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.024 10.245 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.246 9.353 0.625 1.00 0.00 H new ATOM 463 N SER A 32 -8.408 9.752 1.317 1.00 0.00 N ATOM 464 CA SER A 32 -7.313 10.718 1.264 1.00 0.00 C ATOM 465 C SER A 32 -7.214 11.415 -0.098 1.00 0.00 C ATOM 466 O SER A 32 -6.858 10.794 -1.102 1.00 0.00 O ATOM 467 CB SER A 32 -6.007 9.995 1.575 1.00 0.00 C ATOM 468 OG SER A 32 -5.911 8.791 0.829 1.00 0.00 O ATOM 0 H SER A 32 -8.122 8.829 1.644 1.00 0.00 H new ATOM 0 HA SER A 32 -7.509 11.495 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.162 10.643 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.953 9.774 2.641 1.00 0.00 H new ATOM 0 HG SER A 32 -6.242 8.943 -0.081 1.00 0.00 H new ATOM 474 N PRO A 33 -7.539 12.717 -0.144 1.00 0.00 N ATOM 475 CA PRO A 33 -7.511 13.506 -1.378 1.00 0.00 C ATOM 476 C PRO A 33 -6.113 13.999 -1.747 1.00 0.00 C ATOM 477 O PRO A 33 -5.870 14.403 -2.886 1.00 0.00 O ATOM 478 CB PRO A 33 -8.409 14.690 -1.044 1.00 0.00 C ATOM 479 CG PRO A 33 -8.266 14.879 0.428 1.00 0.00 C ATOM 480 CD PRO A 33 -7.966 13.524 1.015 1.00 0.00 C ATOM 0 HA PRO A 33 -7.832 12.918 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.103 15.583 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.445 14.489 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.464 15.583 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.180 15.291 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.183 13.581 1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.844 13.095 1.498 1.00 0.00 H new ATOM 488 N GLY A 34 -5.214 13.985 -0.775 1.00 0.00 N ATOM 489 CA GLY A 34 -3.875 14.511 -0.977 1.00 0.00 C ATOM 490 C GLY A 34 -2.985 13.594 -1.797 1.00 0.00 C ATOM 491 O GLY A 34 -3.436 12.985 -2.772 1.00 0.00 O ATOM 0 H GLY A 34 -5.388 13.616 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.944 15.479 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.410 14.684 -0.006 1.00 0.00 H new ATOM 495 N PRO A 35 -1.702 13.474 -1.428 1.00 0.00 N ATOM 496 CA PRO A 35 -0.756 12.671 -2.182 1.00 0.00 C ATOM 497 C PRO A 35 -0.933 11.173 -1.948 1.00 0.00 C ATOM 498 O PRO A 35 -1.539 10.745 -0.965 1.00 0.00 O ATOM 499 CB PRO A 35 0.606 13.146 -1.696 1.00 0.00 C ATOM 500 CG PRO A 35 0.382 13.783 -0.367 1.00 0.00 C ATOM 501 CD PRO A 35 -1.086 14.111 -0.252 1.00 0.00 C ATOM 0 HA PRO A 35 -0.894 12.797 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.302 12.311 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.042 13.856 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.687 13.110 0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.984 14.687 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.507 13.723 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.253 15.188 -0.252 1.00 0.00 H new ATOM 509 N PHE A 36 -0.360 10.386 -2.843 1.00 0.00 N ATOM 510 CA PHE A 36 -0.587 8.953 -2.878 1.00 0.00 C ATOM 511 C PHE A 36 0.738 8.215 -3.025 1.00 0.00 C ATOM 512 O PHE A 36 1.499 8.460 -3.954 1.00 0.00 O ATOM 513 CB PHE A 36 -1.569 8.624 -4.032 1.00 0.00 C ATOM 514 CG PHE A 36 -1.188 7.475 -4.941 1.00 0.00 C ATOM 515 CD1 PHE A 36 -0.352 7.678 -6.031 1.00 0.00 C ATOM 516 CD2 PHE A 36 -1.682 6.204 -4.721 1.00 0.00 C ATOM 517 CE1 PHE A 36 -0.016 6.632 -6.869 1.00 0.00 C ATOM 518 CE2 PHE A 36 -1.349 5.155 -5.555 1.00 0.00 C ATOM 519 CZ PHE A 36 -0.513 5.369 -6.630 1.00 0.00 C ATOM 0 H PHE A 36 0.276 10.724 -3.566 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.037 8.620 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.544 8.405 -3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.686 9.518 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.040 8.665 -6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.340 6.028 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.637 6.804 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.743 4.168 -5.365 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.249 4.550 -7.282 1.00 0.00 H new ATOM 529 N THR A 37 1.023 7.340 -2.090 1.00 0.00 N ATOM 530 CA THR A 37 2.230 6.550 -2.137 1.00 0.00 C ATOM 531 C THR A 37 1.886 5.074 -2.264 1.00 0.00 C ATOM 532 O THR A 37 0.974 4.581 -1.601 1.00 0.00 O ATOM 533 CB THR A 37 3.101 6.800 -0.891 1.00 0.00 C ATOM 534 OG1 THR A 37 3.568 8.152 -0.906 1.00 0.00 O ATOM 535 CG2 THR A 37 4.290 5.861 -0.852 1.00 0.00 C ATOM 0 H THR A 37 0.430 7.156 -1.281 1.00 0.00 H new ATOM 0 HA THR A 37 2.805 6.852 -3.013 1.00 0.00 H new ATOM 0 HB THR A 37 2.492 6.618 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.082 8.673 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.884 6.063 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.938 4.830 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.904 6.014 -1.740 1.00 0.00 H new ATOM 543 N VAL A 38 2.597 4.376 -3.131 1.00 0.00 N ATOM 544 CA VAL A 38 2.294 2.984 -3.390 1.00 0.00 C ATOM 545 C VAL A 38 3.556 2.127 -3.367 1.00 0.00 C ATOM 546 O VAL A 38 4.674 2.620 -3.556 1.00 0.00 O ATOM 547 CB VAL A 38 1.583 2.822 -4.755 1.00 0.00 C ATOM 548 CG1 VAL A 38 2.567 2.963 -5.898 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.853 1.493 -4.834 1.00 0.00 C ATOM 0 H VAL A 38 3.383 4.749 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 38 1.629 2.644 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 38 0.844 3.619 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.043 2.845 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.030 3.949 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.337 2.197 -5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.362 1.405 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.567 0.678 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.105 1.441 -4.042 1.00 0.00 H new ATOM 559 N PHE A 39 3.364 0.848 -3.101 1.00 0.00 N ATOM 560 CA PHE A 39 4.420 -0.138 -3.222 1.00 0.00 C ATOM 561 C PHE A 39 4.076 -1.071 -4.379 1.00 0.00 C ATOM 562 O PHE A 39 3.107 -1.828 -4.304 1.00 0.00 O ATOM 563 CB PHE A 39 4.574 -0.925 -1.915 1.00 0.00 C ATOM 564 CG PHE A 39 4.929 -0.069 -0.730 1.00 0.00 C ATOM 565 CD1 PHE A 39 6.251 0.234 -0.452 1.00 0.00 C ATOM 566 CD2 PHE A 39 3.940 0.429 0.104 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.582 1.018 0.638 1.00 0.00 C ATOM 568 CE2 PHE A 39 4.264 1.215 1.193 1.00 0.00 C ATOM 569 CZ PHE A 39 5.587 1.509 1.460 1.00 0.00 C ATOM 0 H PHE A 39 2.470 0.464 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 39 5.371 0.357 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.642 -1.450 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.345 -1.684 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.032 -0.146 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.904 0.200 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.617 1.246 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.484 1.599 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.843 2.123 2.311 1.00 0.00 H new ATOM 579 N ALA A 40 4.844 -0.985 -5.457 1.00 0.00 N ATOM 580 CA ALA A 40 4.537 -1.726 -6.674 1.00 0.00 C ATOM 581 C ALA A 40 5.366 -3.002 -6.776 1.00 0.00 C ATOM 582 O ALA A 40 6.585 -2.953 -6.916 1.00 0.00 O ATOM 583 CB ALA A 40 4.764 -0.847 -7.895 1.00 0.00 C ATOM 0 H ALA A 40 5.684 -0.410 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 40 3.487 -2.016 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.531 -1.411 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.118 0.029 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.806 -0.528 -7.925 1.00 0.00 H new ATOM 589 N PRO A 41 4.711 -4.166 -6.696 1.00 0.00 N ATOM 590 CA PRO A 41 5.386 -5.458 -6.802 1.00 0.00 C ATOM 591 C PRO A 41 5.728 -5.815 -8.249 1.00 0.00 C ATOM 592 O PRO A 41 4.875 -5.729 -9.134 1.00 0.00 O ATOM 593 CB PRO A 41 4.351 -6.428 -6.235 1.00 0.00 C ATOM 594 CG PRO A 41 3.033 -5.800 -6.527 1.00 0.00 C ATOM 595 CD PRO A 41 3.257 -4.312 -6.491 1.00 0.00 C ATOM 0 HA PRO A 41 6.341 -5.474 -6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.433 -7.409 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.491 -6.572 -5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.660 -6.114 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.288 -6.099 -5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.691 -3.804 -7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.943 -3.884 -5.539 1.00 0.00 H new ATOM 603 N ASN A 42 6.976 -6.210 -8.494 1.00 0.00 N ATOM 604 CA ASN A 42 7.395 -6.563 -9.851 1.00 0.00 C ATOM 605 C ASN A 42 7.033 -8.011 -10.167 1.00 0.00 C ATOM 606 O ASN A 42 6.387 -8.682 -9.358 1.00 0.00 O ATOM 607 CB ASN A 42 8.904 -6.324 -10.068 1.00 0.00 C ATOM 608 CG ASN A 42 9.794 -7.457 -9.635 1.00 0.00 C ATOM 609 OD1 ASN A 42 10.114 -8.347 -10.415 1.00 0.00 O ATOM 610 ND2 ASN A 42 10.227 -7.414 -8.405 1.00 0.00 N ATOM 0 H ASN A 42 7.704 -6.293 -7.785 1.00 0.00 H new ATOM 0 HA ASN A 42 6.857 -5.908 -10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.078 -6.129 -11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.196 -5.424 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.856 -8.139 -8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.936 -6.655 -7.788 1.00 0.00 H new ATOM 617 N ASP A 43 7.463 -8.495 -11.320 1.00 0.00 N ATOM 618 CA ASP A 43 7.137 -9.855 -11.761 1.00 0.00 C ATOM 619 C ASP A 43 7.640 -10.903 -10.774 1.00 0.00 C ATOM 620 O ASP A 43 7.061 -11.984 -10.654 1.00 0.00 O ATOM 621 CB ASP A 43 7.730 -10.133 -13.141 1.00 0.00 C ATOM 622 CG ASP A 43 7.075 -9.314 -14.228 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.515 -8.167 -14.457 1.00 0.00 O ATOM 624 OD2 ASP A 43 6.123 -9.815 -14.865 1.00 0.00 O1- ATOM 0 H ASP A 43 8.042 -7.969 -11.975 1.00 0.00 H new ATOM 0 HA ASP A 43 6.050 -9.922 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.799 -9.919 -13.123 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.621 -11.192 -13.373 1.00 0.00 H new ATOM 629 N ASP A 44 8.696 -10.569 -10.043 1.00 0.00 N ATOM 630 CA ASP A 44 9.311 -11.509 -9.119 1.00 0.00 C ATOM 631 C ASP A 44 8.539 -11.507 -7.818 1.00 0.00 C ATOM 632 O ASP A 44 8.553 -12.471 -7.060 1.00 0.00 O ATOM 633 CB ASP A 44 10.770 -11.142 -8.873 1.00 0.00 C ATOM 634 CG ASP A 44 11.495 -12.172 -8.029 1.00 0.00 C ATOM 635 OD1 ASP A 44 11.726 -13.298 -8.520 1.00 0.00 O ATOM 636 OD2 ASP A 44 11.830 -11.866 -6.869 1.00 0.00 O1- ATOM 0 H ASP A 44 9.144 -9.653 -10.073 1.00 0.00 H new ATOM 0 HA ASP A 44 9.284 -12.508 -9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.281 -11.037 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.819 -10.172 -8.378 1.00 0.00 H new ATOM 641 N ALA A 45 7.837 -10.411 -7.593 1.00 0.00 N ATOM 642 CA ALA A 45 6.983 -10.268 -6.436 1.00 0.00 C ATOM 643 C ALA A 45 5.670 -10.989 -6.679 1.00 0.00 C ATOM 644 O ALA A 45 5.104 -11.606 -5.782 1.00 0.00 O ATOM 645 CB ALA A 45 6.757 -8.806 -6.151 1.00 0.00 C ATOM 0 H ALA A 45 7.845 -9.598 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 45 7.462 -10.715 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.113 -8.701 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.714 -8.321 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.281 -8.337 -7.012 1.00 0.00 H new ATOM 651 N PHE A 46 5.207 -10.920 -7.921 1.00 0.00 N ATOM 652 CA PHE A 46 4.066 -11.706 -8.372 1.00 0.00 C ATOM 653 C PHE A 46 4.374 -13.188 -8.189 1.00 0.00 C ATOM 654 O PHE A 46 3.486 -14.023 -8.039 1.00 0.00 O ATOM 655 CB PHE A 46 3.805 -11.400 -9.848 1.00 0.00 C ATOM 656 CG PHE A 46 2.533 -11.986 -10.393 1.00 0.00 C ATOM 657 CD1 PHE A 46 1.320 -11.351 -10.186 1.00 0.00 C ATOM 658 CD2 PHE A 46 2.553 -13.164 -11.122 1.00 0.00 C ATOM 659 CE1 PHE A 46 0.151 -11.883 -10.695 1.00 0.00 C ATOM 660 CE2 PHE A 46 1.387 -13.700 -11.630 1.00 0.00 C ATOM 661 CZ PHE A 46 0.185 -13.059 -11.416 1.00 0.00 C ATOM 0 H PHE A 46 5.610 -10.320 -8.641 1.00 0.00 H new ATOM 0 HA PHE A 46 3.180 -11.453 -7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.778 -10.319 -9.982 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.643 -11.773 -10.437 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.287 -10.431 -9.621 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.492 -13.669 -11.295 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.789 -11.379 -10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.416 -14.620 -12.194 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.729 -13.477 -11.812 1.00 0.00 H new ATOM 671 N ALA A 47 5.659 -13.476 -8.174 1.00 0.00 N ATOM 672 CA ALA A 47 6.168 -14.829 -8.026 1.00 0.00 C ATOM 673 C ALA A 47 6.294 -15.207 -6.549 1.00 0.00 C ATOM 674 O ALA A 47 6.533 -16.363 -6.207 1.00 0.00 O ATOM 675 CB ALA A 47 7.505 -14.940 -8.732 1.00 0.00 C ATOM 0 H ALA A 47 6.390 -12.771 -8.265 1.00 0.00 H new ATOM 0 HA ALA A 47 5.466 -15.528 -8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.891 -15.954 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.378 -14.711 -9.790 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.209 -14.235 -8.291 1.00 0.00 H new ATOM 681 N LYS A 48 6.131 -14.215 -5.681 1.00 0.00 N ATOM 682 CA LYS A 48 6.164 -14.426 -4.236 1.00 0.00 C ATOM 683 C LYS A 48 4.788 -14.795 -3.732 1.00 0.00 C ATOM 684 O LYS A 48 4.644 -15.426 -2.688 1.00 0.00 O ATOM 685 CB LYS A 48 6.612 -13.169 -3.529 1.00 0.00 C ATOM 686 CG LYS A 48 7.887 -12.592 -4.084 1.00 0.00 C ATOM 687 CD LYS A 48 9.080 -13.471 -3.776 1.00 0.00 C ATOM 688 CE LYS A 48 9.367 -13.530 -2.283 1.00 0.00 C ATOM 689 NZ LYS A 48 10.510 -14.425 -1.969 1.00 0.00 N1+ ATOM 0 H LYS A 48 5.973 -13.246 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 48 6.866 -15.234 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.823 -12.421 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.751 -13.387 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.793 -12.472 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.049 -11.599 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.896 -14.478 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.957 -13.091 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.581 -12.526 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.478 -13.879 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.671 -14.436 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.296 -15.389 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.365 -14.078 -2.449 1.00 0.00 H new ATOM 703 N LEU A 49 3.793 -14.373 -4.497 1.00 0.00 N ATOM 704 CA LEU A 49 2.386 -14.622 -4.197 1.00 0.00 C ATOM 705 C LEU A 49 2.086 -16.050 -3.705 1.00 0.00 C ATOM 706 O LEU A 49 1.282 -16.211 -2.787 1.00 0.00 O ATOM 707 CB LEU A 49 1.557 -14.282 -5.425 1.00 0.00 C ATOM 708 CG LEU A 49 1.472 -12.782 -5.706 1.00 0.00 C ATOM 709 CD1 LEU A 49 0.587 -12.487 -6.895 1.00 0.00 C ATOM 710 CD2 LEU A 49 0.967 -12.048 -4.482 1.00 0.00 C ATOM 0 H LEU A 49 3.939 -13.841 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 49 2.116 -13.979 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.986 -14.783 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.550 -14.677 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 49 2.476 -12.432 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.551 -11.411 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.990 -12.980 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.419 -12.857 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.911 -10.981 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.024 -12.418 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.650 -12.216 -3.649 1.00 0.00 H new ATOM 722 N PRO A 50 2.683 -17.102 -4.316 1.00 0.00 N ATOM 723 CA PRO A 50 2.604 -18.478 -3.797 1.00 0.00 C ATOM 724 C PRO A 50 2.746 -18.566 -2.270 1.00 0.00 C ATOM 725 O PRO A 50 2.054 -19.351 -1.618 1.00 0.00 O ATOM 726 CB PRO A 50 3.782 -19.156 -4.486 1.00 0.00 C ATOM 727 CG PRO A 50 3.875 -18.479 -5.809 1.00 0.00 C ATOM 728 CD PRO A 50 3.421 -17.056 -5.594 1.00 0.00 C ATOM 0 HA PRO A 50 1.634 -18.934 -3.997 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.701 -19.036 -3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.614 -20.227 -4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.896 -18.507 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.247 -18.980 -6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.267 -16.371 -5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.784 -16.713 -6.410 1.00 0.00 H new ATOM 736 N ASP A 51 3.640 -17.760 -1.704 1.00 0.00 N ATOM 737 CA ASP A 51 3.801 -17.685 -0.253 1.00 0.00 C ATOM 738 C ASP A 51 2.669 -16.865 0.351 1.00 0.00 C ATOM 739 O ASP A 51 1.810 -17.403 1.053 1.00 0.00 O ATOM 740 CB ASP A 51 5.152 -17.066 0.117 1.00 0.00 C ATOM 741 CG ASP A 51 6.286 -18.070 0.083 1.00 0.00 C ATOM 742 OD1 ASP A 51 6.784 -18.383 -1.021 1.00 0.00 O ATOM 743 OD2 ASP A 51 6.687 -18.556 1.164 1.00 0.00 O1- ATOM 0 H ASP A 51 4.266 -17.148 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 51 3.768 -18.697 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.374 -16.251 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.087 -16.632 1.115 1.00 0.00 H new ATOM 748 N GLY A 52 2.662 -15.570 0.076 1.00 0.00 N ATOM 749 CA GLY A 52 1.558 -14.735 0.499 1.00 0.00 C ATOM 750 C GLY A 52 1.848 -13.916 1.742 1.00 0.00 C ATOM 751 O GLY A 52 1.381 -14.241 2.836 1.00 0.00 O ATOM 0 H GLY A 52 3.400 -15.083 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.293 -14.060 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.689 -15.366 0.686 1.00 0.00 H new ATOM 755 N THR A 53 2.618 -12.853 1.572 1.00 0.00 N ATOM 756 CA THR A 53 2.841 -11.880 2.635 1.00 0.00 C ATOM 757 C THR A 53 1.544 -11.168 2.965 1.00 0.00 C ATOM 758 O THR A 53 1.124 -11.109 4.120 1.00 0.00 O ATOM 759 CB THR A 53 3.858 -10.821 2.200 1.00 0.00 C ATOM 760 OG1 THR A 53 5.122 -11.428 1.913 1.00 0.00 O ATOM 761 CG2 THR A 53 4.024 -9.733 3.254 1.00 0.00 C ATOM 0 H THR A 53 3.104 -12.639 0.701 1.00 0.00 H new ATOM 0 HA THR A 53 3.217 -12.420 3.504 1.00 0.00 H new ATOM 0 HB THR A 53 3.475 -10.352 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.367 -11.249 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.754 -9.000 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.066 -9.240 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.371 -10.179 4.186 1.00 0.00 H new ATOM 769 N ILE A 54 0.912 -10.638 1.926 1.00 0.00 N ATOM 770 CA ILE A 54 -0.334 -9.907 2.061 1.00 0.00 C ATOM 771 C ILE A 54 -1.408 -10.778 2.712 1.00 0.00 C ATOM 772 O ILE A 54 -2.322 -10.280 3.371 1.00 0.00 O ATOM 773 CB ILE A 54 -0.787 -9.351 0.690 1.00 0.00 C ATOM 774 CG1 ILE A 54 -0.293 -7.904 0.535 1.00 0.00 C ATOM 775 CG2 ILE A 54 -2.298 -9.440 0.501 1.00 0.00 C ATOM 776 CD1 ILE A 54 1.216 -7.764 0.552 1.00 0.00 C ATOM 0 H ILE A 54 1.252 -10.705 0.967 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.171 -9.055 2.721 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.343 -9.969 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.675 -7.499 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.713 -7.299 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.567 -9.038 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.612 -10.482 0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.797 -8.864 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.485 -6.714 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.605 -8.137 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.644 -8.340 -0.269 1.00 0.00 H new ATOM 788 N THR A 55 -1.257 -12.083 2.566 1.00 0.00 N ATOM 789 CA THR A 55 -2.152 -13.030 3.205 1.00 0.00 C ATOM 790 C THR A 55 -2.017 -12.968 4.724 1.00 0.00 C ATOM 791 O THR A 55 -2.976 -13.165 5.443 1.00 0.00 O ATOM 792 CB THR A 55 -1.885 -14.461 2.735 1.00 0.00 C ATOM 793 OG1 THR A 55 -2.064 -14.554 1.313 1.00 0.00 O ATOM 794 CG2 THR A 55 -2.813 -15.434 3.444 1.00 0.00 C ATOM 0 H THR A 55 -0.519 -12.512 2.008 1.00 0.00 H new ATOM 0 HA THR A 55 -3.166 -12.751 2.919 1.00 0.00 H new ATOM 0 HB THR A 55 -0.855 -14.722 2.980 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.889 -15.473 1.021 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.610 -16.448 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.647 -15.377 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.849 -15.176 3.223 1.00 0.00 H new ATOM 802 N SER A 56 -0.824 -12.681 5.207 1.00 0.00 N ATOM 803 CA SER A 56 -0.600 -12.520 6.631 1.00 0.00 C ATOM 804 C SER A 56 -1.025 -11.126 7.052 1.00 0.00 C ATOM 805 O SER A 56 -1.408 -10.886 8.193 1.00 0.00 O ATOM 806 CB SER A 56 0.874 -12.759 6.967 1.00 0.00 C ATOM 807 OG SER A 56 1.138 -12.529 8.339 1.00 0.00 O ATOM 0 H SER A 56 0.009 -12.554 4.632 1.00 0.00 H new ATOM 0 HA SER A 56 -1.194 -13.253 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.145 -13.783 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.498 -12.102 6.360 1.00 0.00 H new ATOM 0 HG SER A 56 2.087 -12.692 8.521 1.00 0.00 H new ATOM 813 N LEU A 57 -0.985 -10.228 6.092 1.00 0.00 N ATOM 814 CA LEU A 57 -1.345 -8.836 6.307 1.00 0.00 C ATOM 815 C LEU A 57 -2.854 -8.673 6.420 1.00 0.00 C ATOM 816 O LEU A 57 -3.334 -7.729 7.039 1.00 0.00 O ATOM 817 CB LEU A 57 -0.790 -7.975 5.189 1.00 0.00 C ATOM 818 CG LEU A 57 0.609 -7.399 5.440 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.594 -8.492 5.820 1.00 0.00 C ATOM 820 CD2 LEU A 57 1.108 -6.651 4.214 1.00 0.00 C ATOM 0 H LEU A 57 -0.701 -10.440 5.135 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.906 -8.508 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.762 -8.568 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.479 -7.149 5.012 1.00 0.00 H new ATOM 0 HG LEU A 57 0.535 -6.701 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.577 -8.053 5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.254 -8.988 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.658 -9.221 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.102 -6.250 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.155 -7.333 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.426 -5.833 3.984 1.00 0.00 H new ATOM 832 N VAL A 58 -3.605 -9.593 5.817 1.00 0.00 N ATOM 833 CA VAL A 58 -5.051 -9.587 5.976 1.00 0.00 C ATOM 834 C VAL A 58 -5.421 -10.154 7.339 1.00 0.00 C ATOM 835 O VAL A 58 -6.416 -9.756 7.948 1.00 0.00 O ATOM 836 CB VAL A 58 -5.775 -10.391 4.872 1.00 0.00 C ATOM 837 CG1 VAL A 58 -5.459 -11.872 4.983 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.277 -10.160 4.944 1.00 0.00 C ATOM 0 H VAL A 58 -3.241 -10.339 5.224 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.378 -8.550 5.893 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.415 -10.040 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.981 -12.415 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.385 -12.024 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.785 -12.242 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.771 -10.733 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.648 -10.481 5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.489 -9.100 4.807 1.00 0.00 H new ATOM 848 N GLN A 59 -4.596 -11.080 7.821 1.00 0.00 N ATOM 849 CA GLN A 59 -4.804 -11.674 9.125 1.00 0.00 C ATOM 850 C GLN A 59 -4.478 -10.637 10.187 1.00 0.00 C ATOM 851 O GLN A 59 -5.004 -10.638 11.302 1.00 0.00 O ATOM 852 CB GLN A 59 -3.886 -12.874 9.277 1.00 0.00 C ATOM 853 CG GLN A 59 -3.858 -13.739 8.038 1.00 0.00 C ATOM 854 CD GLN A 59 -4.955 -14.776 7.986 1.00 0.00 C ATOM 855 OE1 GLN A 59 -5.450 -15.240 9.013 1.00 0.00 O ATOM 856 NE2 GLN A 59 -5.327 -15.161 6.777 1.00 0.00 N ATOM 0 H GLN A 59 -3.778 -11.431 7.322 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.839 -11.999 9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.876 -12.529 9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.213 -13.473 10.127 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.936 -13.099 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.893 -14.243 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.889 -14.749 5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.052 -15.870 6.668 1.00 0.00 H new ATOM 865 N ASN A 60 -3.582 -9.764 9.782 1.00 0.00 N ATOM 866 CA ASN A 60 -3.083 -8.664 10.561 1.00 0.00 C ATOM 867 C ASN A 60 -4.046 -7.474 10.509 1.00 0.00 C ATOM 868 O ASN A 60 -5.035 -7.520 9.777 1.00 0.00 O ATOM 869 CB ASN A 60 -1.703 -8.283 10.030 1.00 0.00 C ATOM 870 CG ASN A 60 -0.574 -8.858 10.865 1.00 0.00 C ATOM 871 OD1 ASN A 60 -0.103 -8.234 11.817 1.00 0.00 O ATOM 872 ND2 ASN A 60 -0.130 -10.050 10.512 1.00 0.00 N ATOM 0 H ASN A 60 -3.164 -9.809 8.853 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.001 -8.960 11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.604 -8.634 9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.615 -7.197 10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.630 -10.486 11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.547 -10.535 9.717 1.00 0.00 H new ATOM 879 N PRO A 61 -3.817 -6.455 11.367 1.00 0.00 N ATOM 880 CA PRO A 61 -4.586 -5.188 11.408 1.00 0.00 C ATOM 881 C PRO A 61 -5.034 -4.630 10.030 1.00 0.00 C ATOM 882 O PRO A 61 -4.631 -5.134 8.984 1.00 0.00 O ATOM 883 CB PRO A 61 -3.568 -4.247 12.054 1.00 0.00 C ATOM 884 CG PRO A 61 -2.850 -5.098 13.036 1.00 0.00 C ATOM 885 CD PRO A 61 -2.786 -6.475 12.431 1.00 0.00 C ATOM 0 HA PRO A 61 -5.535 -5.315 11.930 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.885 -3.832 11.313 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.059 -3.405 12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.850 -4.711 13.229 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.374 -5.117 13.992 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.797 -6.685 12.023 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.995 -7.246 13.173 1.00 0.00 H new ATOM 893 N PRO A 62 -5.909 -3.578 10.054 1.00 0.00 N ATOM 894 CA PRO A 62 -6.609 -2.975 8.879 1.00 0.00 C ATOM 895 C PRO A 62 -5.818 -2.825 7.562 1.00 0.00 C ATOM 896 O PRO A 62 -6.405 -2.476 6.537 1.00 0.00 O ATOM 897 CB PRO A 62 -7.002 -1.605 9.398 1.00 0.00 C ATOM 898 CG PRO A 62 -7.280 -1.826 10.837 1.00 0.00 C ATOM 899 CD PRO A 62 -6.291 -2.860 11.292 1.00 0.00 C ATOM 0 HA PRO A 62 -7.415 -3.642 8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.201 -0.880 9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.879 -1.219 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.167 -0.901 11.403 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.303 -2.170 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.425 -2.399 11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.733 -3.537 12.023 1.00 0.00 H new ATOM 907 N GLN A 63 -4.515 -3.065 7.594 1.00 0.00 N ATOM 908 CA GLN A 63 -3.643 -3.040 6.413 1.00 0.00 C ATOM 909 C GLN A 63 -4.280 -3.702 5.178 1.00 0.00 C ATOM 910 O GLN A 63 -3.960 -3.329 4.043 1.00 0.00 O ATOM 911 CB GLN A 63 -2.321 -3.717 6.792 1.00 0.00 C ATOM 912 CG GLN A 63 -1.672 -4.478 5.692 1.00 0.00 C ATOM 913 CD GLN A 63 -0.788 -3.629 4.829 1.00 0.00 C ATOM 914 OE1 GLN A 63 -0.211 -2.628 5.252 1.00 0.00 O ATOM 915 NE2 GLN A 63 -0.698 -4.047 3.604 1.00 0.00 N ATOM 0 H GLN A 63 -4.018 -3.288 8.456 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.474 -2.003 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.627 -2.955 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.502 -4.395 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.082 -5.289 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.442 -4.936 5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.201 -4.885 3.313 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.124 -3.537 2.932 1.00 0.00 H new ATOM 924 N LEU A 64 -5.195 -4.641 5.398 1.00 0.00 N ATOM 925 CA LEU A 64 -5.956 -5.253 4.314 1.00 0.00 C ATOM 926 C LEU A 64 -6.593 -4.204 3.408 1.00 0.00 C ATOM 927 O LEU A 64 -6.445 -4.253 2.188 1.00 0.00 O ATOM 928 CB LEU A 64 -7.074 -6.131 4.870 1.00 0.00 C ATOM 929 CG LEU A 64 -8.233 -6.334 3.895 1.00 0.00 C ATOM 930 CD1 LEU A 64 -7.878 -7.357 2.826 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.517 -6.713 4.612 1.00 0.00 C ATOM 0 H LEU A 64 -5.429 -4.997 6.325 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.250 -5.851 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.662 -7.103 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.456 -5.682 5.787 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.410 -5.378 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.721 -7.481 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.009 -7.012 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.649 -8.312 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.315 -6.848 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.366 -7.643 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.792 -5.921 5.308 1.00 0.00 H new ATOM 943 N GLY A 65 -7.294 -3.263 4.032 1.00 0.00 N ATOM 944 CA GLY A 65 -8.097 -2.281 3.312 1.00 0.00 C ATOM 945 C GLY A 65 -7.353 -1.578 2.198 1.00 0.00 C ATOM 946 O GLY A 65 -7.934 -1.231 1.170 1.00 0.00 O ATOM 0 H GLY A 65 -7.322 -3.160 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.972 -2.778 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.461 -1.536 4.019 1.00 0.00 H new ATOM 950 N ARG A 66 -6.065 -1.377 2.398 1.00 0.00 N ATOM 951 CA ARG A 66 -5.249 -0.680 1.429 1.00 0.00 C ATOM 952 C ARG A 66 -4.896 -1.598 0.263 1.00 0.00 C ATOM 953 O ARG A 66 -4.820 -1.162 -0.888 1.00 0.00 O ATOM 954 CB ARG A 66 -3.989 -0.133 2.108 1.00 0.00 C ATOM 955 CG ARG A 66 -2.718 -0.435 1.342 1.00 0.00 C ATOM 956 CD ARG A 66 -1.911 -1.523 2.025 1.00 0.00 C ATOM 957 NE ARG A 66 -0.931 -0.988 2.975 1.00 0.00 N ATOM 958 CZ ARG A 66 0.234 -0.427 2.628 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.544 -0.250 1.348 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.081 -0.035 3.569 1.00 0.00 N ATOM 0 H ARG A 66 -5.561 -1.689 3.228 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.815 0.160 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.087 0.946 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.911 -0.556 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.967 -0.746 0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.116 0.470 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.588 -2.197 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.393 -2.114 1.270 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.152 -1.047 3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.108 -0.542 0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.434 0.178 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.844 -0.161 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.970 0.393 3.309 1.00 0.00 H new ATOM 974 N ILE A 67 -4.699 -2.868 0.578 1.00 0.00 N ATOM 975 CA ILE A 67 -4.260 -3.864 -0.382 1.00 0.00 C ATOM 976 C ILE A 67 -5.232 -4.012 -1.545 1.00 0.00 C ATOM 977 O ILE A 67 -4.819 -4.031 -2.705 1.00 0.00 O ATOM 978 CB ILE A 67 -4.129 -5.220 0.320 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.252 -5.069 1.562 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.575 -6.262 -0.634 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.113 -6.340 2.367 1.00 0.00 C ATOM 0 H ILE A 67 -4.841 -3.239 1.518 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.301 -3.533 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.114 -5.563 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.261 -4.733 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.671 -4.290 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.489 -7.218 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.246 -6.369 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.591 -5.949 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.477 -6.155 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.097 -6.667 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.665 -7.116 1.747 1.00 0.00 H new ATOM 993 N LEU A 68 -6.516 -4.103 -1.213 1.00 0.00 N ATOM 994 CA LEU A 68 -7.566 -4.397 -2.190 1.00 0.00 C ATOM 995 C LEU A 68 -7.435 -3.577 -3.472 1.00 0.00 C ATOM 996 O LEU A 68 -7.227 -4.134 -4.549 1.00 0.00 O ATOM 997 CB LEU A 68 -8.957 -4.150 -1.589 1.00 0.00 C ATOM 998 CG LEU A 68 -9.459 -5.176 -0.568 1.00 0.00 C ATOM 999 CD1 LEU A 68 -8.781 -6.516 -0.774 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.270 -4.676 0.862 1.00 0.00 C ATOM 0 H LEU A 68 -6.860 -3.976 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.445 -5.449 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.952 -3.170 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.677 -4.103 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.529 -5.311 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.153 -7.229 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.998 -6.883 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.704 -6.401 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.636 -5.427 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.211 -4.494 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.827 -3.749 1.000 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.547 -2.262 -3.367 1.00 0.00 N ATOM 1013 CA LYS A 69 -7.593 -1.433 -4.562 1.00 0.00 C ATOM 1014 C LYS A 69 -6.218 -0.987 -5.053 1.00 0.00 C ATOM 1015 O LYS A 69 -5.836 -1.300 -6.179 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.502 -0.219 -4.350 1.00 0.00 C ATOM 1017 CG LYS A 69 -9.988 -0.558 -4.347 1.00 0.00 C ATOM 1018 CD LYS A 69 -10.382 -1.347 -5.591 1.00 0.00 C ATOM 1019 CE LYS A 69 -11.891 -1.507 -5.710 1.00 0.00 C ATOM 1020 NZ LYS A 69 -12.566 -0.216 -6.003 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.607 -1.753 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.009 -2.066 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.245 0.255 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.307 0.511 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.229 -1.137 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.572 0.361 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.000 -0.841 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.914 -2.331 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.119 -2.223 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.286 -1.920 -4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.549 -0.396 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.559 0.380 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.063 0.272 -6.771 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.468 -0.263 -4.231 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.277 0.410 -4.740 1.00 0.00 C ATOM 1036 C TYR A 70 -2.979 0.001 -4.052 1.00 0.00 C ATOM 1037 O TYR A 70 -1.906 0.269 -4.583 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.441 1.929 -4.652 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.488 2.487 -5.591 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -5.219 2.637 -6.946 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.743 2.860 -5.127 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -6.168 3.143 -7.811 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -7.700 3.367 -5.987 1.00 0.00 C ATOM 1044 CZ TYR A 70 -7.406 3.506 -7.327 1.00 0.00 C ATOM 1045 OH TYR A 70 -8.356 4.003 -8.189 1.00 0.00 O ATOM 0 H TYR A 70 -5.654 -0.128 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.190 0.091 -5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.704 2.198 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.483 2.401 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.250 2.353 -7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.975 2.752 -4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.942 3.254 -8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.672 3.652 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.174 4.210 -7.690 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.071 -0.637 -2.877 1.00 0.00 N ATOM 1056 CA HIS A 71 -1.894 -0.931 -2.060 1.00 0.00 C ATOM 1057 C HIS A 71 -1.285 0.390 -1.604 1.00 0.00 C ATOM 1058 O HIS A 71 -0.075 0.509 -1.414 1.00 0.00 O ATOM 1059 CB HIS A 71 -0.858 -1.756 -2.832 1.00 0.00 C ATOM 1060 CG HIS A 71 -1.352 -3.079 -3.336 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.863 -3.253 -4.602 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -1.387 -4.297 -2.751 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -2.192 -4.518 -4.774 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.912 -5.175 -3.665 1.00 0.00 N ATOM 0 H HIS A 71 -3.951 -0.958 -2.474 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.199 -1.528 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.507 -1.169 -3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.002 -1.928 -2.185 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.062 -4.535 -1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.618 -4.944 -5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.061 -6.172 -3.512 1.00 0.00 H new ATOM 1073 N VAL A 72 -2.167 1.358 -1.389 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.792 2.753 -1.239 1.00 0.00 C ATOM 1075 C VAL A 72 -1.609 3.169 0.215 1.00 0.00 C ATOM 1076 O VAL A 72 -2.151 2.567 1.143 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.873 3.661 -1.874 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -4.199 3.466 -1.167 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -2.476 5.129 -1.826 1.00 0.00 C ATOM 0 H VAL A 72 -3.171 1.193 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.833 2.869 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.970 3.373 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.952 4.110 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.509 2.425 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.091 3.723 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.261 5.733 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.338 5.435 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.544 5.272 -2.373 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.818 4.201 0.370 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.708 4.952 1.595 1.00 0.00 C ATOM 1091 C VAL A 73 -0.566 6.435 1.255 1.00 0.00 C ATOM 1092 O VAL A 73 0.347 6.837 0.538 1.00 0.00 O ATOM 1093 CB VAL A 73 0.474 4.481 2.465 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.756 4.351 1.656 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.677 5.439 3.614 1.00 0.00 C ATOM 0 H VAL A 73 -0.215 4.552 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.612 4.786 2.181 1.00 0.00 H new ATOM 0 HB VAL A 73 0.231 3.492 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.564 4.017 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.610 3.625 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.014 5.318 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.514 5.101 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.891 6.434 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.227 5.474 4.223 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.507 7.229 1.728 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.507 8.665 1.477 1.00 0.00 C ATOM 1107 C ALA A 74 -0.314 9.330 2.114 1.00 0.00 C ATOM 1108 O ALA A 74 0.100 8.980 3.220 1.00 0.00 O ATOM 1109 CB ALA A 74 -2.772 9.284 2.022 1.00 0.00 C ATOM 0 H ALA A 74 -2.290 6.904 2.294 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.455 8.816 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.764 10.357 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.637 8.835 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.830 9.108 3.096 1.00 0.00 H new ATOM 1115 N GLY A 75 0.219 10.299 1.410 1.00 0.00 N ATOM 1116 CA GLY A 75 1.388 10.983 1.885 1.00 0.00 C ATOM 1117 C GLY A 75 2.568 10.677 1.007 1.00 0.00 C ATOM 1118 O GLY A 75 3.166 9.623 1.124 1.00 0.00 O ATOM 0 H GLY A 75 -0.138 10.627 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.207 12.058 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.602 10.681 2.910 1.00 0.00 H new ATOM 1122 N ALA A 76 2.856 11.578 0.092 1.00 0.00 N ATOM 1123 CA ALA A 76 3.958 11.427 -0.844 1.00 0.00 C ATOM 1124 C ALA A 76 5.285 11.234 -0.124 1.00 0.00 C ATOM 1125 O ALA A 76 5.873 12.184 0.395 1.00 0.00 O ATOM 1126 CB ALA A 76 4.024 12.639 -1.749 1.00 0.00 C ATOM 0 H ALA A 76 2.330 12.444 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 76 3.777 10.533 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.851 12.525 -2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.089 12.732 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.180 13.534 -1.147 1.00 0.00 H new ATOM 1132 N TYR A 77 5.746 9.999 -0.088 1.00 0.00 N ATOM 1133 CA TYR A 77 7.016 9.683 0.558 1.00 0.00 C ATOM 1134 C TYR A 77 8.052 9.187 -0.451 1.00 0.00 C ATOM 1135 O TYR A 77 7.960 8.048 -0.918 1.00 0.00 O ATOM 1136 CB TYR A 77 6.866 8.588 1.623 1.00 0.00 C ATOM 1137 CG TYR A 77 5.662 8.679 2.536 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.444 9.787 3.341 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.762 7.621 2.617 1.00 0.00 C ATOM 1140 CE1 TYR A 77 4.361 9.841 4.198 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.674 7.669 3.466 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.478 8.783 4.257 1.00 0.00 C ATOM 1143 OH TYR A 77 2.402 8.840 5.117 1.00 0.00 O ATOM 0 H TYR A 77 5.266 9.197 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 77 7.345 10.613 1.021 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.835 7.624 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.763 8.593 2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.130 10.620 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.917 6.745 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.206 10.710 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.982 6.841 3.511 1.00 0.00 H new ATOM 0 HH TYR A 77 1.572 8.891 4.599 1.00 0.00 H new ATOM 1153 N LYS A 78 9.048 10.017 -0.770 1.00 0.00 N ATOM 1154 CA LYS A 78 10.207 9.581 -1.478 1.00 0.00 C ATOM 1155 C LYS A 78 10.888 8.532 -0.653 1.00 0.00 C ATOM 1156 O LYS A 78 10.700 8.516 0.561 1.00 0.00 O ATOM 1157 CB LYS A 78 11.134 10.757 -1.683 1.00 0.00 C ATOM 1158 CG LYS A 78 10.733 11.552 -2.884 1.00 0.00 C ATOM 1159 CD LYS A 78 10.846 10.702 -4.076 1.00 0.00 C ATOM 1160 CE LYS A 78 10.637 11.537 -5.281 1.00 0.00 C ATOM 1161 NZ LYS A 78 11.862 12.289 -5.681 1.00 0.00 N1+ ATOM 0 H LYS A 78 9.053 11.009 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 78 9.934 9.172 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.120 11.395 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.157 10.401 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.710 11.912 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.371 12.430 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.828 10.229 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.108 9.901 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.320 10.901 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.828 12.243 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.593 13.099 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.353 12.631 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.495 11.662 -6.217 1.00 0.00 H new ATOM 1175 N ALA A 79 11.686 7.688 -1.276 1.00 0.00 N ATOM 1176 CA ALA A 79 12.284 6.565 -0.570 1.00 0.00 C ATOM 1177 C ALA A 79 12.929 7.036 0.722 1.00 0.00 C ATOM 1178 O ALA A 79 12.792 6.390 1.751 1.00 0.00 O ATOM 1179 CB ALA A 79 13.302 5.845 -1.441 1.00 0.00 C ATOM 0 H ALA A 79 11.936 7.754 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 79 11.490 5.858 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.731 5.011 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.811 5.469 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.094 6.538 -1.724 1.00 0.00 H new ATOM 1185 N THR A 80 13.496 8.235 0.678 1.00 0.00 N ATOM 1186 CA THR A 80 14.344 8.734 1.752 1.00 0.00 C ATOM 1187 C THR A 80 13.515 9.165 2.951 1.00 0.00 C ATOM 1188 O THR A 80 13.986 9.083 4.080 1.00 0.00 O ATOM 1189 CB THR A 80 15.217 9.913 1.265 1.00 0.00 C ATOM 1190 OG1 THR A 80 16.052 10.392 2.326 1.00 0.00 O ATOM 1191 CG2 THR A 80 14.360 11.056 0.738 1.00 0.00 C ATOM 0 H THR A 80 13.382 8.886 -0.099 1.00 0.00 H new ATOM 0 HA THR A 80 14.997 7.917 2.058 1.00 0.00 H new ATOM 0 HB THR A 80 15.841 9.544 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.599 11.137 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 80 15.004 11.869 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.757 10.703 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.705 11.415 1.531 1.00 0.00 H new ATOM 1199 N ASP A 81 12.277 9.593 2.722 1.00 0.00 N ATOM 1200 CA ASP A 81 11.423 10.010 3.826 1.00 0.00 C ATOM 1201 C ASP A 81 11.085 8.798 4.676 1.00 0.00 C ATOM 1202 O ASP A 81 10.999 8.880 5.900 1.00 0.00 O ATOM 1203 CB ASP A 81 10.149 10.680 3.300 1.00 0.00 C ATOM 1204 CG ASP A 81 9.349 11.363 4.396 1.00 0.00 C ATOM 1205 OD1 ASP A 81 9.936 12.170 5.152 1.00 0.00 O ATOM 1206 OD2 ASP A 81 8.129 11.120 4.489 1.00 0.00 O1- ATOM 0 H ASP A 81 11.850 9.659 1.798 1.00 0.00 H new ATOM 0 HA ASP A 81 11.951 10.741 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.417 11.414 2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.524 9.931 2.813 1.00 0.00 H new ATOM 1211 N LEU A 82 10.925 7.663 4.007 1.00 0.00 N ATOM 1212 CA LEU A 82 10.677 6.403 4.669 1.00 0.00 C ATOM 1213 C LEU A 82 11.869 5.947 5.497 1.00 0.00 C ATOM 1214 O LEU A 82 11.710 5.597 6.650 1.00 0.00 O ATOM 1215 CB LEU A 82 10.317 5.354 3.625 1.00 0.00 C ATOM 1216 CG LEU A 82 9.010 5.625 2.884 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.106 6.544 3.692 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.284 6.185 1.509 1.00 0.00 C ATOM 0 H LEU A 82 10.965 7.598 2.990 1.00 0.00 H new ATOM 0 HA LEU A 82 9.846 6.537 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.126 5.290 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.249 4.382 4.113 1.00 0.00 H new ATOM 0 HG LEU A 82 8.484 4.679 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.182 6.721 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.875 6.077 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.613 7.493 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.340 6.371 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.838 7.119 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.873 5.469 0.935 1.00 0.00 H new ATOM 1230 N LYS A 83 13.052 5.935 4.899 1.00 0.00 N ATOM 1231 CA LYS A 83 14.260 5.532 5.557 1.00 0.00 C ATOM 1232 C LYS A 83 14.680 6.513 6.644 1.00 0.00 C ATOM 1233 O LYS A 83 15.296 6.121 7.635 1.00 0.00 O ATOM 1234 CB LYS A 83 15.358 5.391 4.529 1.00 0.00 C ATOM 1235 CG LYS A 83 14.911 5.370 3.118 1.00 0.00 C ATOM 1236 CD LYS A 83 16.046 4.979 2.175 1.00 0.00 C ATOM 1237 CE LYS A 83 17.190 5.982 2.219 1.00 0.00 C ATOM 1238 NZ LYS A 83 18.307 5.587 1.324 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.188 6.212 3.927 1.00 0.00 H new ATOM 0 HA LYS A 83 14.076 4.576 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.060 6.215 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.906 4.471 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.086 4.666 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.530 6.353 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.419 3.991 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.664 4.908 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.822 6.966 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.557 6.069 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.066 6.296 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.676 4.660 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.963 5.529 0.344 1.00 0.00 H new ATOM 1252 N ARG A 84 14.353 7.788 6.455 1.00 0.00 N ATOM 1253 CA ARG A 84 14.546 8.784 7.455 1.00 0.00 C ATOM 1254 C ARG A 84 13.784 8.395 8.709 1.00 0.00 C ATOM 1255 O ARG A 84 14.187 8.702 9.832 1.00 0.00 O ATOM 1256 CB ARG A 84 14.032 10.082 6.883 1.00 0.00 C ATOM 1257 CG ARG A 84 15.103 11.132 6.749 1.00 0.00 C ATOM 1258 CD ARG A 84 14.617 12.489 7.219 1.00 0.00 C ATOM 1259 NE ARG A 84 15.677 13.496 7.165 1.00 0.00 N ATOM 1260 CZ ARG A 84 15.519 14.727 6.678 1.00 0.00 C ATOM 1261 NH1 ARG A 84 14.342 15.114 6.197 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 16.542 15.570 6.666 1.00 0.00 N ATOM 0 H ARG A 84 13.945 8.142 5.590 1.00 0.00 H new ATOM 0 HA ARG A 84 15.596 8.886 7.729 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.593 9.892 5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.235 10.463 7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.977 10.837 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.419 11.199 5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.780 12.810 6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.245 12.408 8.240 1.00 0.00 H new ATOM 0 HE ARG A 84 16.597 13.240 7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.553 14.468 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.228 16.057 5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.449 15.277 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.422 16.512 6.294 1.00 0.00 H new ATOM 1276 N MET A 85 12.676 7.711 8.489 1.00 0.00 N ATOM 1277 CA MET A 85 11.912 7.119 9.566 1.00 0.00 C ATOM 1278 C MET A 85 12.428 5.722 9.887 1.00 0.00 C ATOM 1279 O MET A 85 12.525 5.337 11.053 1.00 0.00 O ATOM 1280 CB MET A 85 10.434 7.026 9.192 1.00 0.00 C ATOM 1281 CG MET A 85 9.779 8.364 8.935 1.00 0.00 C ATOM 1282 SD MET A 85 8.041 8.210 8.477 1.00 0.00 S ATOM 1283 CE MET A 85 7.635 9.918 8.123 1.00 0.00 C ATOM 0 H MET A 85 12.283 7.552 7.561 1.00 0.00 H new ATOM 0 HA MET A 85 12.026 7.759 10.441 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.334 6.407 8.301 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.898 6.519 9.994 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.862 8.982 9.829 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.316 8.880 8.139 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.589 9.989 7.824 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.800 10.523 9.014 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.269 10.283 7.315 1.00 0.00 H new ATOM 1293 N GLY A 86 12.763 4.960 8.840 1.00 0.00 N ATOM 1294 CA GLY A 86 13.115 3.569 9.034 1.00 0.00 C ATOM 1295 C GLY A 86 11.876 2.716 9.215 1.00 0.00 C ATOM 1296 O GLY A 86 11.945 1.574 9.665 1.00 0.00 O ATOM 0 H GLY A 86 12.795 5.283 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.685 3.211 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.759 3.472 9.908 1.00 0.00 H new ATOM 1300 N ILE A 87 10.741 3.303 8.875 1.00 0.00 N ATOM 1301 CA ILE A 87 9.449 2.677 8.994 1.00 0.00 C ATOM 1302 C ILE A 87 8.452 3.476 8.165 1.00 0.00 C ATOM 1303 O ILE A 87 8.701 4.632 7.822 1.00 0.00 O ATOM 1304 CB ILE A 87 9.005 2.606 10.470 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.094 1.403 10.718 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.282 3.878 10.846 1.00 0.00 C ATOM 1307 CD1 ILE A 87 7.969 1.026 12.174 1.00 0.00 C ATOM 0 H ILE A 87 10.699 4.251 8.500 1.00 0.00 H new ATOM 0 HA ILE A 87 9.500 1.653 8.624 1.00 0.00 H new ATOM 0 HB ILE A 87 9.896 2.491 11.088 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.102 1.622 10.322 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.477 0.547 10.162 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.970 3.824 11.889 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.949 4.729 10.710 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.405 3.999 10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.308 0.165 12.271 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.953 0.775 12.571 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.556 1.866 12.733 1.00 0.00 H new ATOM 1319 N VAL A 88 7.354 2.850 7.826 1.00 0.00 N ATOM 1320 CA VAL A 88 6.301 3.483 7.061 1.00 0.00 C ATOM 1321 C VAL A 88 4.955 3.230 7.705 1.00 0.00 C ATOM 1322 O VAL A 88 4.683 2.127 8.156 1.00 0.00 O ATOM 1323 CB VAL A 88 6.282 2.938 5.627 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.471 3.459 4.867 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.308 1.422 5.631 1.00 0.00 C ATOM 0 H VAL A 88 7.161 1.879 8.073 1.00 0.00 H new ATOM 0 HA VAL A 88 6.496 4.555 7.039 1.00 0.00 H new ATOM 0 HB VAL A 88 5.364 3.272 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.452 3.069 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.436 4.548 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.388 3.138 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.294 1.055 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.214 1.075 6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.435 1.045 6.163 1.00 0.00 H new ATOM 1335 N THR A 89 4.116 4.239 7.761 1.00 0.00 N ATOM 1336 CA THR A 89 2.803 4.062 8.342 1.00 0.00 C ATOM 1337 C THR A 89 1.742 4.048 7.257 1.00 0.00 C ATOM 1338 O THR A 89 1.667 4.952 6.430 1.00 0.00 O ATOM 1339 CB THR A 89 2.465 5.142 9.377 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.607 5.401 10.207 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.302 4.675 10.240 1.00 0.00 C ATOM 0 H THR A 89 4.314 5.179 7.417 1.00 0.00 H new ATOM 0 HA THR A 89 2.817 3.103 8.860 1.00 0.00 H new ATOM 0 HB THR A 89 2.187 6.059 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.384 6.093 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.063 5.443 10.975 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.432 4.492 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.577 3.754 10.754 1.00 0.00 H new ATOM 1349 N SER A 90 0.935 3.003 7.277 1.00 0.00 N ATOM 1350 CA SER A 90 -0.102 2.784 6.293 1.00 0.00 C ATOM 1351 C SER A 90 -1.219 3.815 6.422 1.00 0.00 C ATOM 1352 O SER A 90 -1.309 4.497 7.439 1.00 0.00 O ATOM 1353 CB SER A 90 -0.648 1.366 6.474 1.00 0.00 C ATOM 1354 OG SER A 90 0.343 0.404 6.153 1.00 0.00 O ATOM 0 H SER A 90 0.985 2.274 7.989 1.00 0.00 H new ATOM 0 HA SER A 90 0.319 2.896 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.978 1.226 7.503 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.521 1.223 5.837 1.00 0.00 H new ATOM 0 HG SER A 90 0.994 0.349 6.883 1.00 0.00 H new ATOM 1360 N LEU A 91 -2.054 3.933 5.390 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.195 4.845 5.411 1.00 0.00 C ATOM 1362 C LEU A 91 -4.039 4.632 6.666 1.00 0.00 C ATOM 1363 O LEU A 91 -4.570 5.573 7.253 1.00 0.00 O ATOM 1364 CB LEU A 91 -4.051 4.613 4.166 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.858 5.814 3.702 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.128 7.094 4.007 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.118 5.717 2.221 1.00 0.00 C ATOM 0 H LEU A 91 -1.959 3.404 4.523 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.824 5.870 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.400 4.296 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.737 3.789 4.365 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.808 5.819 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.723 7.942 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.965 7.173 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.167 7.096 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.697 6.581 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.169 5.694 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.677 4.805 2.009 1.00 0.00 H new ATOM 1379 N GLU A 92 -4.134 3.374 7.068 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.913 2.985 8.237 1.00 0.00 C ATOM 1381 C GLU A 92 -4.153 3.311 9.515 1.00 0.00 C ATOM 1382 O GLU A 92 -4.746 3.579 10.562 1.00 0.00 O ATOM 1383 CB GLU A 92 -5.227 1.488 8.174 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.996 0.594 8.213 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.821 -0.096 9.551 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -3.709 0.598 10.572 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -3.758 -1.335 9.580 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.675 2.595 6.596 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.848 3.546 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.878 1.229 9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.784 1.282 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.072 -0.158 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.110 1.192 7.998 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.833 3.307 9.405 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.988 3.520 10.561 1.00 0.00 C ATOM 1396 C GLY A 93 -1.061 2.348 10.867 1.00 0.00 C ATOM 1397 O GLY A 93 -0.442 2.315 11.929 1.00 0.00 O ATOM 0 H GLY A 93 -2.330 3.159 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.387 4.415 10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.618 3.710 11.430 1.00 0.00 H new ATOM 1401 N SER A 94 -0.955 1.381 9.956 1.00 0.00 N ATOM 1402 CA SER A 94 -0.063 0.253 10.173 1.00 0.00 C ATOM 1403 C SER A 94 1.373 0.582 9.773 1.00 0.00 C ATOM 1404 O SER A 94 1.649 0.904 8.622 1.00 0.00 O ATOM 1405 CB SER A 94 -0.555 -0.976 9.405 1.00 0.00 C ATOM 1406 OG SER A 94 -1.340 -1.819 10.233 1.00 0.00 O ATOM 0 H SER A 94 -1.469 1.359 9.075 1.00 0.00 H new ATOM 0 HA SER A 94 -0.070 0.033 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.143 -0.658 8.544 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.299 -1.533 9.020 1.00 0.00 H new ATOM 0 HG SER A 94 -2.208 -1.980 9.807 1.00 0.00 H new ATOM 1412 N THR A 95 2.282 0.480 10.730 1.00 0.00 N ATOM 1413 CA THR A 95 3.694 0.719 10.481 1.00 0.00 C ATOM 1414 C THR A 95 4.420 -0.519 9.954 1.00 0.00 C ATOM 1415 O THR A 95 4.204 -1.635 10.421 1.00 0.00 O ATOM 1416 CB THR A 95 4.395 1.213 11.753 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.569 0.951 12.897 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.698 2.697 11.652 1.00 0.00 C ATOM 0 H THR A 95 2.064 0.231 11.695 1.00 0.00 H new ATOM 0 HA THR A 95 3.741 1.487 9.709 1.00 0.00 H new ATOM 0 HB THR A 95 5.338 0.678 11.865 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.022 1.267 13.707 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.195 3.030 12.563 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.349 2.878 10.797 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.768 3.250 11.524 1.00 0.00 H new ATOM 1426 N ILE A 96 5.279 -0.292 8.972 1.00 0.00 N ATOM 1427 CA ILE A 96 6.100 -1.332 8.369 1.00 0.00 C ATOM 1428 C ILE A 96 7.553 -0.852 8.327 1.00 0.00 C ATOM 1429 O ILE A 96 7.826 0.235 7.838 1.00 0.00 O ATOM 1430 CB ILE A 96 5.609 -1.693 6.937 1.00 0.00 C ATOM 1431 CG1 ILE A 96 4.465 -2.716 6.978 1.00 0.00 C ATOM 1432 CG2 ILE A 96 6.746 -2.213 6.076 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.112 -2.121 7.306 1.00 0.00 C ATOM 0 H ILE A 96 5.428 0.632 8.566 1.00 0.00 H new ATOM 0 HA ILE A 96 6.021 -2.235 8.974 1.00 0.00 H new ATOM 0 HB ILE A 96 5.231 -0.774 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.405 -3.216 6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.702 -3.480 7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.369 -2.456 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.519 -1.449 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.168 -3.108 6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.360 -2.910 7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.151 -1.646 8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.849 -1.378 6.553 1.00 0.00 H new ATOM 1445 N PRO A 97 8.504 -1.630 8.858 1.00 0.00 N ATOM 1446 CA PRO A 97 9.895 -1.182 8.990 1.00 0.00 C ATOM 1447 C PRO A 97 10.611 -1.021 7.656 1.00 0.00 C ATOM 1448 O PRO A 97 10.541 -1.879 6.770 1.00 0.00 O ATOM 1449 CB PRO A 97 10.568 -2.278 9.822 1.00 0.00 C ATOM 1450 CG PRO A 97 9.465 -3.156 10.320 1.00 0.00 C ATOM 1451 CD PRO A 97 8.319 -2.994 9.366 1.00 0.00 C ATOM 0 HA PRO A 97 9.936 -0.193 9.447 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.276 -2.846 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.129 -1.848 10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.788 -4.196 10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.170 -2.872 11.330 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.354 -3.732 8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.358 -3.112 9.866 1.00 0.00 H new ATOM 1459 N ILE A 98 11.287 0.105 7.538 1.00 0.00 N ATOM 1460 CA ILE A 98 12.085 0.434 6.380 1.00 0.00 C ATOM 1461 C ILE A 98 13.568 0.247 6.657 1.00 0.00 C ATOM 1462 O ILE A 98 14.051 0.514 7.755 1.00 0.00 O ATOM 1463 CB ILE A 98 11.828 1.893 5.969 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.382 2.044 5.527 1.00 0.00 C ATOM 1465 CG2 ILE A 98 12.784 2.347 4.880 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.037 1.250 4.291 1.00 0.00 C ATOM 0 H ILE A 98 11.295 0.827 8.258 1.00 0.00 H new ATOM 0 HA ILE A 98 11.797 -0.240 5.573 1.00 0.00 H new ATOM 0 HB ILE A 98 12.008 2.534 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.728 1.733 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.177 3.098 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.570 3.383 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 98 13.810 2.268 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.659 1.716 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.989 1.409 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.664 1.577 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.208 0.190 4.480 1.00 0.00 H new ATOM 1478 N HIS A 99 14.269 -0.228 5.649 1.00 0.00 N ATOM 1479 CA HIS A 99 15.715 -0.368 5.691 1.00 0.00 C ATOM 1480 C HIS A 99 16.279 0.007 4.334 1.00 0.00 C ATOM 1481 O HIS A 99 15.519 0.344 3.426 1.00 0.00 O ATOM 1482 CB HIS A 99 16.123 -1.787 6.066 1.00 0.00 C ATOM 1483 CG HIS A 99 15.795 -2.150 7.481 1.00 0.00 C ATOM 1484 ND1 HIS A 99 14.704 -2.914 7.832 1.00 0.00 N ATOM 1485 CD2 HIS A 99 16.414 -1.832 8.640 1.00 0.00 C ATOM 1486 CE1 HIS A 99 14.664 -3.044 9.145 1.00 0.00 C ATOM 1487 NE2 HIS A 99 15.692 -2.397 9.661 1.00 0.00 N ATOM 0 H HIS A 99 13.851 -0.531 4.769 1.00 0.00 H new ATOM 0 HA HIS A 99 16.116 0.296 6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.627 -2.488 5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.196 -1.901 5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 99 17.312 -1.241 8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.916 -3.588 9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 99 15.913 -2.328 10.654 1.00 0.00 H new ATOM 1496 N GLY A 100 17.592 -0.007 4.196 1.00 0.00 N ATOM 1497 CA GLY A 100 18.178 0.254 2.902 1.00 0.00 C ATOM 1498 C GLY A 100 19.653 0.555 2.971 1.00 0.00 C ATOM 1499 O GLY A 100 20.074 1.489 3.650 1.00 0.00 O ATOM 0 H GLY A 100 18.257 -0.192 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.019 -0.610 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 100 17.663 1.096 2.440 1.00 0.00 H new ATOM 1503 N ASP A 101 20.445 -0.246 2.280 1.00 0.00 N ATOM 1504 CA ASP A 101 21.867 0.026 2.156 1.00 0.00 C ATOM 1505 C ASP A 101 22.148 0.646 0.796 1.00 0.00 C ATOM 1506 O ASP A 101 22.731 1.726 0.701 1.00 0.00 O ATOM 1507 CB ASP A 101 22.683 -1.251 2.341 1.00 0.00 C ATOM 1508 CG ASP A 101 24.173 -0.991 2.319 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.749 -0.716 3.394 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.780 -1.068 1.233 1.00 0.00 O1- ATOM 0 H ASP A 101 20.129 -1.087 1.798 1.00 0.00 H new ATOM 0 HA ASP A 101 22.162 0.726 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.412 -1.718 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.429 -1.959 1.552 1.00 0.00 H new ATOM 1515 N ASN A 102 21.715 -0.030 -0.259 1.00 0.00 N ATOM 1516 CA ASN A 102 21.772 0.541 -1.597 1.00 0.00 C ATOM 1517 C ASN A 102 20.364 0.927 -2.066 1.00 0.00 C ATOM 1518 O ASN A 102 20.105 2.108 -2.298 1.00 0.00 O ATOM 1519 CB ASN A 102 22.464 -0.404 -2.596 1.00 0.00 C ATOM 1520 CG ASN A 102 23.955 -0.556 -2.351 1.00 0.00 C ATOM 1521 OD1 ASN A 102 24.600 0.495 -1.864 1.00 0.00 O flip ATOM 1522 ND2 ASN A 102 24.527 -1.614 -2.611 1.00 0.00 N flip ATOM 0 H ASN A 102 21.322 -0.970 -0.215 1.00 0.00 H new ATOM 0 HA ASN A 102 22.380 1.444 -1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.993 -1.385 -2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.306 -0.030 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 102 23.997 -2.402 -2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 102 25.531 -1.703 -2.453 1.00 0.00 H new ATOM 1529 N PRO A 103 19.416 -0.034 -2.197 1.00 0.00 N ATOM 1530 CA PRO A 103 18.026 0.275 -2.514 1.00 0.00 C ATOM 1531 C PRO A 103 17.203 0.481 -1.247 1.00 0.00 C ATOM 1532 O PRO A 103 17.711 0.306 -0.136 1.00 0.00 O ATOM 1533 CB PRO A 103 17.584 -0.991 -3.223 1.00 0.00 C ATOM 1534 CG PRO A 103 18.244 -2.063 -2.445 1.00 0.00 C ATOM 1535 CD PRO A 103 19.587 -1.504 -2.057 1.00 0.00 C ATOM 0 HA PRO A 103 17.904 1.188 -3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.499 -1.098 -3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 103 17.899 -0.999 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.659 -2.327 -1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.353 -2.970 -3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 103 19.855 -1.780 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.378 -1.878 -2.707 1.00 0.00 H new ATOM 1543 N LEU A 104 15.957 0.886 -1.406 1.00 0.00 N ATOM 1544 CA LEU A 104 15.035 0.915 -0.287 1.00 0.00 C ATOM 1545 C LEU A 104 14.585 -0.509 0.021 1.00 0.00 C ATOM 1546 O LEU A 104 14.588 -1.373 -0.855 1.00 0.00 O ATOM 1547 CB LEU A 104 13.826 1.791 -0.597 1.00 0.00 C ATOM 1548 CG LEU A 104 12.871 2.030 0.575 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.466 3.003 1.577 1.00 0.00 C ATOM 1550 CD2 LEU A 104 11.538 2.540 0.070 1.00 0.00 C ATOM 0 H LEU A 104 15.562 1.198 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 104 15.542 1.340 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.181 2.757 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.266 1.333 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 104 12.714 1.079 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.765 3.153 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.400 2.598 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.660 3.957 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.868 2.706 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.686 3.478 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.098 1.804 -0.603 1.00 0.00 H new ATOM 1562 N GLU A 105 14.194 -0.741 1.256 1.00 0.00 N ATOM 1563 CA GLU A 105 13.874 -2.080 1.727 1.00 0.00 C ATOM 1564 C GLU A 105 12.666 -2.020 2.646 1.00 0.00 C ATOM 1565 O GLU A 105 12.748 -1.542 3.778 1.00 0.00 O ATOM 1566 CB GLU A 105 15.075 -2.685 2.461 1.00 0.00 C ATOM 1567 CG GLU A 105 16.313 -2.829 1.589 1.00 0.00 C ATOM 1568 CD GLU A 105 16.473 -4.216 1.000 1.00 0.00 C ATOM 1569 OE1 GLU A 105 15.485 -4.978 0.965 1.00 0.00 O ATOM 1570 OE2 GLU A 105 17.601 -4.554 0.576 1.00 0.00 O1- ATOM 0 H GLU A 105 14.088 -0.013 1.962 1.00 0.00 H new ATOM 0 HA GLU A 105 13.640 -2.715 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.317 -2.060 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.797 -3.666 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.265 -2.101 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.196 -2.589 2.181 1.00 0.00 H new ATOM 1577 N VAL A 106 11.548 -2.497 2.147 1.00 0.00 N ATOM 1578 CA VAL A 106 10.285 -2.393 2.849 1.00 0.00 C ATOM 1579 C VAL A 106 9.866 -3.758 3.411 1.00 0.00 C ATOM 1580 O VAL A 106 9.573 -4.686 2.658 1.00 0.00 O ATOM 1581 CB VAL A 106 9.221 -1.762 1.902 1.00 0.00 C ATOM 1582 CG1 VAL A 106 9.591 -1.995 0.447 1.00 0.00 C ATOM 1583 CG2 VAL A 106 7.810 -2.265 2.170 1.00 0.00 C ATOM 0 H VAL A 106 11.487 -2.968 1.244 1.00 0.00 H new ATOM 0 HA VAL A 106 10.385 -1.733 3.711 1.00 0.00 H new ATOM 0 HB VAL A 106 9.222 -0.692 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.835 -1.546 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.560 -1.540 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.644 -3.066 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.116 -1.788 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.776 -3.346 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.526 -2.022 3.194 1.00 0.00 H new ATOM 1593 N LYS A 107 9.883 -3.853 4.755 1.00 0.00 N ATOM 1594 CA LYS A 107 9.642 -5.091 5.528 1.00 0.00 C ATOM 1595 C LYS A 107 10.448 -6.300 5.032 1.00 0.00 C ATOM 1596 O LYS A 107 11.500 -6.615 5.587 1.00 0.00 O ATOM 1597 CB LYS A 107 8.139 -5.424 5.687 1.00 0.00 C ATOM 1598 CG LYS A 107 7.308 -5.429 4.412 1.00 0.00 C ATOM 1599 CD LYS A 107 5.815 -5.328 4.706 1.00 0.00 C ATOM 1600 CE LYS A 107 5.188 -6.662 5.103 1.00 0.00 C ATOM 1601 NZ LYS A 107 5.819 -7.268 6.305 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.070 -3.047 5.352 1.00 0.00 H new ATOM 0 HA LYS A 107 10.022 -4.869 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.054 -6.405 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.701 -4.703 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.610 -4.595 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.507 -6.343 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.657 -4.607 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.303 -4.941 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.125 -6.515 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.269 -7.358 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.118 -7.846 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.617 -7.868 6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.164 -6.514 6.933 1.00 0.00 H new ATOM 1615 N ASN A 108 9.975 -6.960 3.995 1.00 0.00 N ATOM 1616 CA ASN A 108 10.603 -8.179 3.509 1.00 0.00 C ATOM 1617 C ASN A 108 10.713 -8.126 1.997 1.00 0.00 C ATOM 1618 O ASN A 108 10.808 -9.150 1.323 1.00 0.00 O ATOM 1619 CB ASN A 108 9.805 -9.411 3.961 1.00 0.00 C ATOM 1620 CG ASN A 108 8.328 -9.321 3.615 1.00 0.00 C ATOM 1621 OD1 ASN A 108 7.531 -8.778 4.383 1.00 0.00 O ATOM 1622 ND2 ASN A 108 7.951 -9.858 2.466 1.00 0.00 N ATOM 0 H ASN A 108 9.151 -6.673 3.466 1.00 0.00 H new ATOM 0 HA ASN A 108 11.605 -8.260 3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.228 -10.302 3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.913 -9.532 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 108 6.970 -9.832 2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.641 -10.298 1.858 1.00 0.00 H new ATOM 1629 N ALA A 109 10.702 -6.909 1.480 1.00 0.00 N ATOM 1630 CA ALA A 109 10.788 -6.670 0.055 1.00 0.00 C ATOM 1631 C ALA A 109 11.880 -5.651 -0.239 1.00 0.00 C ATOM 1632 O ALA A 109 12.238 -4.852 0.627 1.00 0.00 O ATOM 1633 CB ALA A 109 9.443 -6.187 -0.469 1.00 0.00 C ATOM 0 H ALA A 109 10.633 -6.059 2.040 1.00 0.00 H new ATOM 0 HA ALA A 109 11.044 -7.601 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.513 -6.009 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.684 -6.945 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.167 -5.261 0.035 1.00 0.00 H new ATOM 1639 N THR A 110 12.388 -5.665 -1.457 1.00 0.00 N ATOM 1640 CA THR A 110 13.480 -4.815 -1.838 1.00 0.00 C ATOM 1641 C THR A 110 13.051 -3.959 -2.998 1.00 0.00 C ATOM 1642 O THR A 110 12.434 -4.443 -3.945 1.00 0.00 O ATOM 1643 CB THR A 110 14.718 -5.621 -2.251 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.081 -6.531 -1.201 1.00 0.00 O ATOM 1645 CG2 THR A 110 15.890 -4.697 -2.545 1.00 0.00 C ATOM 0 H THR A 110 12.049 -6.270 -2.205 1.00 0.00 H new ATOM 0 HA THR A 110 13.746 -4.204 -0.975 1.00 0.00 H new ATOM 0 HB THR A 110 14.476 -6.180 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.152 -6.042 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.757 -5.290 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 110 15.625 -4.020 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.129 -4.118 -1.653 1.00 0.00 H new ATOM 1653 N VAL A 111 13.358 -2.698 -2.912 1.00 0.00 N ATOM 1654 CA VAL A 111 12.993 -1.765 -3.945 1.00 0.00 C ATOM 1655 C VAL A 111 13.933 -1.857 -5.143 1.00 0.00 C ATOM 1656 O VAL A 111 15.156 -1.808 -5.007 1.00 0.00 O ATOM 1657 CB VAL A 111 12.952 -0.332 -3.394 1.00 0.00 C ATOM 1658 CG1 VAL A 111 13.233 0.686 -4.482 1.00 0.00 C ATOM 1659 CG2 VAL A 111 11.602 -0.062 -2.749 1.00 0.00 C ATOM 0 H VAL A 111 13.866 -2.286 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 111 11.994 -2.031 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 111 13.733 -0.235 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 111 13.197 1.690 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 111 14.222 0.505 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.483 0.596 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.581 0.956 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.813 -0.183 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.442 -0.765 -1.932 1.00 0.00 H new ATOM 1669 N LEU A 112 13.332 -2.017 -6.309 1.00 0.00 N ATOM 1670 CA LEU A 112 14.051 -2.023 -7.566 1.00 0.00 C ATOM 1671 C LEU A 112 14.150 -0.605 -8.087 1.00 0.00 C ATOM 1672 O LEU A 112 15.175 -0.192 -8.630 1.00 0.00 O ATOM 1673 CB LEU A 112 13.334 -2.892 -8.606 1.00 0.00 C ATOM 1674 CG LEU A 112 13.392 -4.393 -8.369 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.411 -4.759 -7.287 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.090 -5.153 -9.652 1.00 0.00 C ATOM 0 H LEU A 112 12.325 -2.147 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 112 15.045 -2.437 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.287 -2.590 -8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.763 -2.681 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 112 14.397 -4.670 -8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.447 -5.834 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.670 -4.233 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.405 -4.475 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.137 -6.225 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.092 -4.891 -10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.824 -4.889 -10.413 1.00 0.00 H new ATOM 1688 N ALA A 113 13.066 0.133 -7.902 1.00 0.00 N ATOM 1689 CA ALA A 113 12.977 1.506 -8.366 1.00 0.00 C ATOM 1690 C ALA A 113 12.002 2.289 -7.501 1.00 0.00 C ATOM 1691 O ALA A 113 10.800 2.032 -7.516 1.00 0.00 O ATOM 1692 CB ALA A 113 12.544 1.547 -9.825 1.00 0.00 C ATOM 0 H ALA A 113 12.228 -0.203 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 113 13.962 1.966 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.482 2.583 -10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.272 1.013 -10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.567 1.074 -9.928 1.00 0.00 H new ATOM 1698 N ALA A 114 12.524 3.212 -6.718 1.00 0.00 N ATOM 1699 CA ALA A 114 11.705 4.060 -5.886 1.00 0.00 C ATOM 1700 C ALA A 114 12.141 5.496 -6.030 1.00 0.00 C ATOM 1701 O ALA A 114 12.968 5.804 -6.886 1.00 0.00 O ATOM 1702 CB ALA A 114 11.790 3.622 -4.440 1.00 0.00 C ATOM 0 H ALA A 114 13.525 3.392 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 114 10.667 3.974 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.167 4.272 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.441 2.593 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.824 3.685 -4.101 1.00 0.00 H new ATOM 1708 N ASP A 115 11.550 6.367 -5.211 1.00 0.00 N ATOM 1709 CA ASP A 115 11.779 7.802 -5.311 1.00 0.00 C ATOM 1710 C ASP A 115 11.082 8.293 -6.574 1.00 0.00 C ATOM 1711 O ASP A 115 11.455 9.281 -7.197 1.00 0.00 O ATOM 1712 CB ASP A 115 13.297 8.103 -5.308 1.00 0.00 C ATOM 1713 CG ASP A 115 13.652 9.581 -5.268 1.00 0.00 C ATOM 1714 OD1 ASP A 115 13.742 10.146 -4.160 1.00 0.00 O ATOM 1715 OD2 ASP A 115 13.859 10.182 -6.340 1.00 0.00 O1- ATOM 0 H ASP A 115 10.906 6.097 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 115 11.365 8.332 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.749 7.611 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.743 7.660 -6.199 1.00 0.00 H new ATOM 1720 N ILE A 116 10.027 7.571 -6.920 1.00 0.00 N ATOM 1721 CA ILE A 116 9.242 7.851 -8.095 1.00 0.00 C ATOM 1722 C ILE A 116 8.050 8.707 -7.730 1.00 0.00 C ATOM 1723 O ILE A 116 7.155 8.238 -7.060 1.00 0.00 O ATOM 1724 CB ILE A 116 8.687 6.549 -8.686 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.762 5.463 -8.719 1.00 0.00 C ATOM 1726 CG2 ILE A 116 8.115 6.806 -10.063 1.00 0.00 C ATOM 1727 CD1 ILE A 116 9.316 4.175 -9.383 1.00 0.00 C ATOM 0 H ILE A 116 9.695 6.769 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 116 9.887 8.360 -8.811 1.00 0.00 H new ATOM 0 HB ILE A 116 7.882 6.188 -8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.636 5.847 -9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.075 5.244 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.724 5.875 -10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.311 7.538 -9.992 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.898 7.190 -10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.134 3.455 -9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.461 3.765 -8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 116 9.032 4.378 -10.416 1.00 0.00 H new ATOM 1739 N GLU A 117 8.027 9.949 -8.134 1.00 0.00 N ATOM 1740 CA GLU A 117 6.856 10.754 -7.954 1.00 0.00 C ATOM 1741 C GLU A 117 5.696 10.293 -8.825 1.00 0.00 C ATOM 1742 O GLU A 117 5.748 10.333 -10.056 1.00 0.00 O ATOM 1743 CB GLU A 117 7.215 12.185 -8.171 1.00 0.00 C ATOM 1744 CG GLU A 117 8.362 12.290 -9.089 1.00 0.00 C ATOM 1745 CD GLU A 117 8.510 13.654 -9.726 1.00 0.00 C ATOM 1746 OE1 GLU A 117 7.821 13.920 -10.733 1.00 0.00 O ATOM 1747 OE2 GLU A 117 9.311 14.469 -9.220 1.00 0.00 O1- ATOM 0 H GLU A 117 8.807 10.422 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 117 6.497 10.639 -6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.361 12.723 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.459 12.655 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.275 12.053 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.257 11.542 -9.875 1.00 0.00 H new ATOM 1754 N ALA A 118 4.667 9.825 -8.142 1.00 0.00 N ATOM 1755 CA ALA A 118 3.464 9.303 -8.770 1.00 0.00 C ATOM 1756 C ALA A 118 2.529 10.412 -9.219 1.00 0.00 C ATOM 1757 O ALA A 118 2.863 11.595 -9.141 1.00 0.00 O ATOM 1758 CB ALA A 118 2.721 8.397 -7.801 1.00 0.00 C ATOM 0 H ALA A 118 4.642 9.796 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 118 3.779 8.742 -9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.822 8.011 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.365 7.565 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.444 8.964 -6.913 1.00 0.00 H new ATOM 1764 N GLU A 119 1.353 10.001 -9.677 1.00 0.00 N ATOM 1765 CA GLU A 119 0.284 10.921 -10.044 1.00 0.00 C ATOM 1766 C GLU A 119 0.044 11.954 -8.943 1.00 0.00 C ATOM 1767 O GLU A 119 0.037 13.157 -9.196 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.000 10.132 -10.331 1.00 0.00 C ATOM 1769 CG GLU A 119 -1.284 9.022 -9.320 1.00 0.00 C ATOM 1770 CD GLU A 119 -2.549 8.247 -9.638 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -3.655 8.733 -9.311 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -2.443 7.139 -10.210 1.00 0.00 O1- ATOM 0 H GLU A 119 1.113 9.018 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 119 0.582 11.459 -10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.844 10.822 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.931 9.694 -11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.439 8.334 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.370 9.457 -8.324 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.128 11.479 -7.719 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.359 12.370 -6.590 1.00 0.00 C ATOM 1781 C ASN A 120 0.780 12.306 -5.582 1.00 0.00 C ATOM 1782 O ASN A 120 0.956 13.221 -4.788 1.00 0.00 O ATOM 1783 CB ASN A 120 -1.673 12.030 -5.878 1.00 0.00 C ATOM 1784 CG ASN A 120 -2.907 12.560 -6.581 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -2.973 12.616 -7.809 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -3.897 12.959 -5.797 1.00 0.00 N ATOM 0 H ASN A 120 -0.112 10.487 -7.482 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.416 13.380 -6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -1.756 10.947 -5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.642 12.434 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.754 13.330 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.802 12.896 -4.783 1.00 0.00 H new ATOM 1793 N GLY A 121 1.558 11.233 -5.605 1.00 0.00 N ATOM 1794 CA GLY A 121 2.538 11.040 -4.553 1.00 0.00 C ATOM 1795 C GLY A 121 3.836 10.442 -5.026 1.00 0.00 C ATOM 1796 O GLY A 121 4.571 11.062 -5.787 1.00 0.00 O ATOM 0 H GLY A 121 1.531 10.504 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.743 12.001 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 121 2.110 10.394 -3.787 1.00 0.00 H new ATOM 1800 N ILE A 122 4.112 9.240 -4.556 1.00 0.00 N ATOM 1801 CA ILE A 122 5.363 8.556 -4.817 1.00 0.00 C ATOM 1802 C ILE A 122 5.142 7.048 -4.965 1.00 0.00 C ATOM 1803 O ILE A 122 4.262 6.466 -4.334 1.00 0.00 O ATOM 1804 CB ILE A 122 6.368 8.815 -3.675 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.788 10.288 -3.641 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.588 7.918 -3.813 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.735 10.671 -4.756 1.00 0.00 C ATOM 0 H ILE A 122 3.466 8.706 -3.975 1.00 0.00 H new ATOM 0 HA ILE A 122 5.767 8.947 -5.751 1.00 0.00 H new ATOM 0 HB ILE A 122 5.873 8.578 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.897 10.913 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.263 10.500 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.282 8.119 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.278 6.874 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 122 8.080 8.117 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.990 11.727 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.643 10.071 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.256 10.491 -5.718 1.00 0.00 H new ATOM 1819 N ILE A 123 5.962 6.433 -5.795 1.00 0.00 N ATOM 1820 CA ILE A 123 5.900 4.998 -6.051 1.00 0.00 C ATOM 1821 C ILE A 123 7.217 4.333 -5.675 1.00 0.00 C ATOM 1822 O ILE A 123 8.284 4.949 -5.757 1.00 0.00 O ATOM 1823 CB ILE A 123 5.576 4.701 -7.539 1.00 0.00 C ATOM 1824 CG1 ILE A 123 4.193 5.249 -7.873 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.641 3.203 -7.833 1.00 0.00 C ATOM 1826 CD1 ILE A 123 3.824 5.157 -9.338 1.00 0.00 C ATOM 0 H ILE A 123 6.696 6.913 -6.316 1.00 0.00 H new ATOM 0 HA ILE A 123 5.098 4.590 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 123 6.323 5.191 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.449 4.707 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.144 6.293 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.409 3.028 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.643 2.833 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.917 2.678 -7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.826 5.568 -9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.543 5.723 -9.930 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.837 4.113 -9.652 1.00 0.00 H new ATOM 1838 N HIS A 124 7.134 3.091 -5.217 1.00 0.00 N ATOM 1839 CA HIS A 124 8.328 2.291 -4.959 1.00 0.00 C ATOM 1840 C HIS A 124 8.106 0.870 -5.456 1.00 0.00 C ATOM 1841 O HIS A 124 7.217 0.176 -4.970 1.00 0.00 O ATOM 1842 CB HIS A 124 8.695 2.219 -3.469 1.00 0.00 C ATOM 1843 CG HIS A 124 8.326 3.415 -2.641 1.00 0.00 C ATOM 1844 ND1 HIS A 124 7.360 3.368 -1.662 1.00 0.00 N ATOM 1845 CD2 HIS A 124 8.819 4.679 -2.616 1.00 0.00 C ATOM 1846 CE1 HIS A 124 7.276 4.543 -1.071 1.00 0.00 C ATOM 1847 NE2 HIS A 124 8.147 5.358 -1.629 1.00 0.00 N ATOM 0 H HIS A 124 6.255 2.615 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 124 9.147 2.780 -5.486 1.00 0.00 H new ATOM 0 HB2 HIS A 124 8.213 1.341 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.771 2.064 -3.387 1.00 0.00 H new ATOM 0 HD1 HIS A 124 6.796 2.550 -1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.595 5.077 -3.253 1.00 0.00 H new ATOM 0 HE1 HIS A 124 6.605 4.795 -0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 124 8.298 6.333 -1.371 1.00 0.00 H new ATOM 1856 N VAL A 125 8.905 0.450 -6.414 1.00 0.00 N ATOM 1857 CA VAL A 125 8.824 -0.901 -6.955 1.00 0.00 C ATOM 1858 C VAL A 125 9.604 -1.868 -6.070 1.00 0.00 C ATOM 1859 O VAL A 125 10.756 -1.609 -5.754 1.00 0.00 O ATOM 1860 CB VAL A 125 9.396 -0.946 -8.388 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.333 -2.352 -8.966 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.664 0.044 -9.284 1.00 0.00 C ATOM 0 H VAL A 125 9.628 1.028 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 125 7.775 -1.196 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 125 10.446 -0.658 -8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.743 -2.349 -9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.914 -3.029 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.296 -2.687 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.079 -0.000 -10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.604 -0.210 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.783 1.052 -8.886 1.00 0.00 H new ATOM 1872 N ILE A 126 8.984 -2.979 -5.678 1.00 0.00 N ATOM 1873 CA ILE A 126 9.633 -3.948 -4.805 1.00 0.00 C ATOM 1874 C ILE A 126 9.616 -5.327 -5.438 1.00 0.00 C ATOM 1875 O ILE A 126 8.845 -5.606 -6.363 1.00 0.00 O ATOM 1876 CB ILE A 126 8.989 -4.035 -3.405 1.00 0.00 C ATOM 1877 CG1 ILE A 126 7.593 -4.665 -3.472 1.00 0.00 C ATOM 1878 CG2 ILE A 126 8.938 -2.661 -2.759 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.456 -3.669 -3.454 1.00 0.00 C ATOM 0 H ILE A 126 8.034 -3.228 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 126 10.657 -3.597 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 126 9.610 -4.683 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.521 -5.263 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.475 -5.348 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.481 -2.740 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.950 -2.268 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.346 -1.989 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.506 -4.201 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.497 -3.086 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.544 -3.001 -4.311 1.00 0.00 H new ATOM 1891 N ASP A 127 10.480 -6.181 -4.934 1.00 0.00 N ATOM 1892 CA ASP A 127 10.692 -7.488 -5.501 1.00 0.00 C ATOM 1893 C ASP A 127 9.869 -8.544 -4.788 1.00 0.00 C ATOM 1894 O ASP A 127 9.976 -9.732 -5.089 1.00 0.00 O ATOM 1895 CB ASP A 127 12.176 -7.835 -5.413 1.00 0.00 C ATOM 1896 CG ASP A 127 12.559 -8.490 -4.098 1.00 0.00 C ATOM 1897 OD1 ASP A 127 12.162 -7.977 -3.030 1.00 0.00 O ATOM 1898 OD2 ASP A 127 13.273 -9.515 -4.129 1.00 0.00 O1- ATOM 0 H ASP A 127 11.056 -5.984 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 127 10.373 -7.470 -6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 127 12.436 -8.503 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 127 12.764 -6.926 -5.544 1.00 0.00 H new ATOM 1903 N THR A 128 9.031 -8.109 -3.868 1.00 0.00 N ATOM 1904 CA THR A 128 8.338 -9.031 -3.002 1.00 0.00 C ATOM 1905 C THR A 128 6.966 -8.502 -2.592 1.00 0.00 C ATOM 1906 O THR A 128 6.843 -7.373 -2.126 1.00 0.00 O ATOM 1907 CB THR A 128 9.181 -9.319 -1.744 1.00 0.00 C ATOM 1908 OG1 THR A 128 10.380 -10.019 -2.101 1.00 0.00 O ATOM 1909 CG2 THR A 128 8.398 -10.114 -0.716 1.00 0.00 C ATOM 0 H THR A 128 8.816 -7.125 -3.704 1.00 0.00 H new ATOM 0 HA THR A 128 8.189 -9.954 -3.562 1.00 0.00 H new ATOM 0 HB THR A 128 9.444 -8.361 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.086 -9.373 -2.311 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.025 -10.298 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 128 7.515 -9.550 -0.416 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.091 -11.066 -1.149 1.00 0.00 H new ATOM 1917 N VAL A 129 5.942 -9.314 -2.817 1.00 0.00 N ATOM 1918 CA VAL A 129 4.627 -9.047 -2.287 1.00 0.00 C ATOM 1919 C VAL A 129 4.591 -9.490 -0.832 1.00 0.00 C ATOM 1920 O VAL A 129 4.769 -10.706 -0.591 1.00 0.00 O ATOM 1921 CB VAL A 129 3.529 -9.798 -3.070 1.00 0.00 C ATOM 1922 CG1 VAL A 129 2.193 -9.619 -2.391 1.00 0.00 C ATOM 1923 CG2 VAL A 129 3.454 -9.332 -4.515 1.00 0.00 C ATOM 0 H VAL A 129 6.006 -10.169 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 129 4.431 -7.979 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 129 3.788 -10.857 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.426 -10.153 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 129 2.244 -10.016 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.943 -8.559 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.670 -9.883 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.228 -8.266 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.410 -9.512 -5.006 1.00 0.00 H new TER 1933 VAL A 129