USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 739 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 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 ASN : amide:sc= -2.09 K(o=-2.1,f=-2.9!) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0.00181 USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00191) USER MOD Set 4.1: A 29 CYS SG : rot -50:sc= 1.03 USER MOD Set 4.2: A 79 CYS SG : rot -168:sc= 1.23 USER MOD Set 5.1: A 24 MET CE :methyl 149:sc= -0.377 (180deg=0) USER MOD Set 5.2: A 65 ASN : amide:sc= -2.05 X(o=-2.4,f=-2.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00135 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.32) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -120:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -122:sc= 1.12 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00734 USER MOD Single : A 49 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD Single : A 51 SER OG : rot -15:sc= 0.833 USER MOD Single : A 53 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-4.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.504 K(o=-0.5,f=-2.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -3.1 X(o=-3.1,f=-2.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.884 USER MOD Single : A 77 TYR OH : rot -36:sc= 0.807 USER MOD Single : A 80 MET CE :methyl 149:sc= -3.07! (180deg=-6.33!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.284 K(o=-0.28,f=-8.7!) USER MOD Single : A 87 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.2) USER MOD Single : A 88 SER OG : rot -17:sc= 0.0454 USER MOD Single : A 89 ASN : amide:sc= -0.0913 K(o=-0.091,f=-1.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.1!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 26:sc= 0.0699 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.261 15.634 -0.183 1.00 0.00 N ATOM 2 CA GLY A 1 25.818 15.290 -1.478 1.00 0.00 C ATOM 3 C GLY A 1 24.750 14.933 -2.493 1.00 0.00 C ATOM 4 O GLY A 1 23.731 15.616 -2.598 1.00 0.00 O ATOM 0 H1 GLY A 1 26.031 15.870 0.475 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.629 16.453 -0.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.723 14.825 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.404 16.129 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.502 14.449 -1.364 1.00 0.00 H new ATOM 8 N SER A 2 24.983 13.860 -3.242 1.00 0.00 N ATOM 9 CA SER A 2 24.034 13.417 -4.258 1.00 0.00 C ATOM 10 C SER A 2 23.052 12.404 -3.677 1.00 0.00 C ATOM 11 O SER A 2 23.451 11.432 -3.036 1.00 0.00 O ATOM 12 CB SER A 2 24.777 12.801 -5.445 1.00 0.00 C ATOM 13 OG SER A 2 25.677 11.793 -5.017 1.00 0.00 O ATOM 0 H SER A 2 25.820 13.282 -3.165 1.00 0.00 H new ATOM 0 HA SER A 2 23.473 14.286 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.059 12.377 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.324 13.578 -5.979 1.00 0.00 H new ATOM 0 HG SER A 2 26.138 11.414 -5.795 1.00 0.00 H new ATOM 19 N SER A 3 21.764 12.639 -3.908 1.00 0.00 N ATOM 20 CA SER A 3 20.723 11.751 -3.406 1.00 0.00 C ATOM 21 C SER A 3 20.610 10.501 -4.273 1.00 0.00 C ATOM 22 O SER A 3 20.764 9.380 -3.789 1.00 0.00 O ATOM 23 CB SER A 3 19.378 12.479 -3.364 1.00 0.00 C ATOM 24 OG SER A 3 18.328 11.591 -3.020 1.00 0.00 O ATOM 0 H SER A 3 21.417 13.437 -4.440 1.00 0.00 H new ATOM 0 HA SER A 3 20.996 11.448 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.423 13.292 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.174 12.929 -4.335 1.00 0.00 H new ATOM 0 HG SER A 3 17.479 12.081 -2.998 1.00 0.00 H new ATOM 30 N GLY A 4 20.340 10.702 -5.559 1.00 0.00 N ATOM 31 CA GLY A 4 20.211 9.584 -6.475 1.00 0.00 C ATOM 32 C GLY A 4 19.248 9.871 -7.609 1.00 0.00 C ATOM 33 O GLY A 4 18.224 10.525 -7.413 1.00 0.00 O ATOM 0 H GLY A 4 20.208 11.620 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.190 9.341 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.870 8.706 -5.926 1.00 0.00 H new ATOM 37 N SER A 5 19.577 9.383 -8.801 1.00 0.00 N ATOM 38 CA SER A 5 18.737 9.596 -9.973 1.00 0.00 C ATOM 39 C SER A 5 17.526 8.668 -9.949 1.00 0.00 C ATOM 40 O SER A 5 16.383 9.118 -10.027 1.00 0.00 O ATOM 41 CB SER A 5 19.543 9.369 -11.253 1.00 0.00 C ATOM 42 OG SER A 5 20.258 10.536 -11.620 1.00 0.00 O ATOM 0 H SER A 5 20.420 8.837 -8.980 1.00 0.00 H new ATOM 0 HA SER A 5 18.383 10.627 -9.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.239 8.543 -11.106 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.872 9.080 -12.062 1.00 0.00 H new ATOM 0 HG SER A 5 20.766 10.364 -12.440 1.00 0.00 H new ATOM 48 N SER A 6 17.787 7.369 -9.842 1.00 0.00 N ATOM 49 CA SER A 6 16.720 6.375 -9.812 1.00 0.00 C ATOM 50 C SER A 6 16.288 6.085 -8.378 1.00 0.00 C ATOM 51 O SER A 6 15.117 6.228 -8.029 1.00 0.00 O ATOM 52 CB SER A 6 17.179 5.082 -10.489 1.00 0.00 C ATOM 53 OG SER A 6 16.073 4.340 -10.973 1.00 0.00 O ATOM 0 H SER A 6 18.728 6.980 -9.775 1.00 0.00 H new ATOM 0 HA SER A 6 15.866 6.779 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.851 5.318 -11.314 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.744 4.477 -9.780 1.00 0.00 H new ATOM 0 HG SER A 6 16.393 3.519 -11.403 1.00 0.00 H new ATOM 59 N GLY A 7 17.244 5.676 -7.549 1.00 0.00 N ATOM 60 CA GLY A 7 16.944 5.372 -6.162 1.00 0.00 C ATOM 61 C GLY A 7 17.054 3.891 -5.857 1.00 0.00 C ATOM 62 O GLY A 7 17.844 3.167 -6.463 1.00 0.00 O ATOM 0 H GLY A 7 18.221 5.550 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.626 5.925 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.936 5.714 -5.928 1.00 0.00 H new ATOM 66 N PRO A 8 16.249 3.421 -4.893 1.00 0.00 N ATOM 67 CA PRO A 8 16.241 2.013 -4.485 1.00 0.00 C ATOM 68 C PRO A 8 15.654 1.101 -5.557 1.00 0.00 C ATOM 69 O PRO A 8 15.394 1.535 -6.680 1.00 0.00 O ATOM 70 CB PRO A 8 15.355 2.010 -3.236 1.00 0.00 C ATOM 71 CG PRO A 8 14.467 3.194 -3.400 1.00 0.00 C ATOM 72 CD PRO A 8 15.282 4.227 -4.128 1.00 0.00 C ATOM 0 HA PRO A 8 17.248 1.634 -4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.777 1.089 -3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.952 2.085 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.572 2.935 -3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.136 3.570 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.662 4.840 -4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.782 4.905 -3.436 1.00 0.00 H new ATOM 80 N PHE A 9 15.445 -0.163 -5.204 1.00 0.00 N ATOM 81 CA PHE A 9 14.889 -1.135 -6.137 1.00 0.00 C ATOM 82 C PHE A 9 13.444 -0.789 -6.485 1.00 0.00 C ATOM 83 O PHE A 9 13.030 -0.897 -7.640 1.00 0.00 O ATOM 84 CB PHE A 9 14.958 -2.543 -5.541 1.00 0.00 C ATOM 85 CG PHE A 9 16.297 -3.201 -5.711 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.353 -2.880 -4.874 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.500 -4.141 -6.709 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.587 -3.483 -5.030 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.731 -4.748 -6.869 1.00 0.00 C ATOM 90 CZ PHE A 9 18.776 -4.419 -6.027 1.00 0.00 C ATOM 0 H PHE A 9 15.652 -0.538 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 9 15.482 -1.105 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.720 -2.491 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.195 -3.165 -6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.211 -2.150 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.686 -4.402 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.403 -3.222 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 9 17.876 -5.479 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 9 19.739 -4.893 -6.149 1.00 0.00 H new ATOM 100 N ILE A 10 12.682 -0.373 -5.479 1.00 0.00 N ATOM 101 CA ILE A 10 11.284 -0.011 -5.679 1.00 0.00 C ATOM 102 C ILE A 10 11.120 0.897 -6.893 1.00 0.00 C ATOM 103 O ILE A 10 11.260 2.116 -6.793 1.00 0.00 O ATOM 104 CB ILE A 10 10.704 0.697 -4.441 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.792 -0.217 -3.216 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.263 1.112 -4.695 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.587 0.509 -1.905 1.00 0.00 C ATOM 0 H ILE A 10 13.009 -0.278 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 10 10.738 -0.939 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 10 11.291 1.594 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.045 -1.005 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.768 -0.703 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.867 1.611 -3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.225 1.794 -5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.663 0.228 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.663 -0.200 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.350 1.279 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.600 0.972 -1.896 1.00 0.00 H new ATOM 119 N MET A 11 10.821 0.295 -8.039 1.00 0.00 N ATOM 120 CA MET A 11 10.634 1.050 -9.273 1.00 0.00 C ATOM 121 C MET A 11 9.704 2.239 -9.047 1.00 0.00 C ATOM 122 O MET A 11 10.045 3.376 -9.373 1.00 0.00 O ATOM 123 CB MET A 11 10.068 0.146 -10.369 1.00 0.00 C ATOM 124 CG MET A 11 11.019 -0.961 -10.795 1.00 0.00 C ATOM 125 SD MET A 11 12.198 -0.420 -12.048 1.00 0.00 S ATOM 126 CE MET A 11 13.523 -1.599 -11.797 1.00 0.00 C ATOM 0 H MET A 11 10.703 -0.713 -8.139 1.00 0.00 H new ATOM 0 HA MET A 11 11.607 1.427 -9.590 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.138 -0.301 -10.016 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.819 0.755 -11.238 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.563 -1.323 -9.923 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.442 -1.801 -11.183 1.00 0.00 H new ATOM 0 HE1 MET A 11 14.330 -1.395 -12.501 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.899 -1.512 -10.778 1.00 0.00 H new ATOM 0 HE3 MET A 11 13.147 -2.609 -11.960 1.00 0.00 H new ATOM 136 N ASP A 12 8.530 1.967 -8.489 1.00 0.00 N ATOM 137 CA ASP A 12 7.551 3.014 -8.220 1.00 0.00 C ATOM 138 C ASP A 12 7.235 3.091 -6.729 1.00 0.00 C ATOM 139 O ASP A 12 7.124 2.068 -6.055 1.00 0.00 O ATOM 140 CB ASP A 12 6.269 2.760 -9.014 1.00 0.00 C ATOM 141 CG ASP A 12 6.502 2.778 -10.512 1.00 0.00 C ATOM 142 OD1 ASP A 12 7.228 1.892 -11.010 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.958 3.678 -11.185 1.00 0.00 O ATOM 0 H ASP A 12 8.233 1.031 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 12 7.979 3.967 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.852 1.795 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.529 3.517 -8.755 1.00 0.00 H new ATOM 148 N ALA A 13 7.091 4.312 -6.223 1.00 0.00 N ATOM 149 CA ALA A 13 6.786 4.522 -4.813 1.00 0.00 C ATOM 150 C ALA A 13 5.399 5.130 -4.636 1.00 0.00 C ATOM 151 O ALA A 13 4.948 5.952 -5.434 1.00 0.00 O ATOM 152 CB ALA A 13 7.840 5.414 -4.173 1.00 0.00 C ATOM 0 H ALA A 13 7.181 5.170 -6.768 1.00 0.00 H new ATOM 0 HA ALA A 13 6.795 3.552 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.600 5.563 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.818 4.941 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.858 6.378 -4.681 1.00 0.00 H new ATOM 158 N PRO A 14 4.703 4.716 -3.567 1.00 0.00 N ATOM 159 CA PRO A 14 3.356 5.206 -3.260 1.00 0.00 C ATOM 160 C PRO A 14 3.357 6.665 -2.817 1.00 0.00 C ATOM 161 O PRO A 14 4.287 7.121 -2.151 1.00 0.00 O ATOM 162 CB PRO A 14 2.900 4.300 -2.114 1.00 0.00 C ATOM 163 CG PRO A 14 4.163 3.841 -1.470 1.00 0.00 C ATOM 164 CD PRO A 14 5.178 3.737 -2.574 1.00 0.00 C ATOM 0 HA PRO A 14 2.703 5.174 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.269 4.841 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.315 3.458 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.489 4.546 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.022 2.879 -0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.181 3.977 -2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.218 2.730 -2.990 1.00 0.00 H new ATOM 172 N ARG A 15 2.310 7.393 -3.190 1.00 0.00 N ATOM 173 CA ARG A 15 2.191 8.801 -2.832 1.00 0.00 C ATOM 174 C ARG A 15 0.900 9.059 -2.061 1.00 0.00 C ATOM 175 O ARG A 15 -0.086 8.339 -2.223 1.00 0.00 O ATOM 176 CB ARG A 15 2.232 9.675 -4.087 1.00 0.00 C ATOM 177 CG ARG A 15 2.561 11.131 -3.805 1.00 0.00 C ATOM 178 CD ARG A 15 3.170 11.811 -5.022 1.00 0.00 C ATOM 179 NE ARG A 15 4.584 11.482 -5.182 1.00 0.00 N ATOM 180 CZ ARG A 15 5.236 11.587 -6.335 1.00 0.00 C ATOM 181 NH1 ARG A 15 4.605 12.009 -7.422 1.00 0.00 N ATOM 182 NH2 ARG A 15 6.523 11.270 -6.401 1.00 0.00 N ATOM 0 H ARG A 15 1.531 7.031 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 15 3.034 9.059 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.973 9.271 -4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.266 9.620 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.655 11.659 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.255 11.192 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.624 11.510 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.057 12.891 -4.928 1.00 0.00 H new ATOM 0 HE ARG A 15 5.099 11.154 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.616 12.254 -7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.109 12.088 -8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.012 10.946 -5.567 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.023 11.351 -7.286 1.00 0.00 H new ATOM 196 N ASP A 16 0.913 10.089 -1.222 1.00 0.00 N ATOM 197 CA ASP A 16 -0.257 10.443 -0.427 1.00 0.00 C ATOM 198 C ASP A 16 -1.527 10.376 -1.269 1.00 0.00 C ATOM 199 O ASP A 16 -1.534 10.778 -2.434 1.00 0.00 O ATOM 200 CB ASP A 16 -0.094 11.844 0.164 1.00 0.00 C ATOM 201 CG ASP A 16 0.412 12.846 -0.855 1.00 0.00 C ATOM 202 OD1 ASP A 16 1.634 12.864 -1.112 1.00 0.00 O ATOM 203 OD2 ASP A 16 -0.413 13.613 -1.394 1.00 0.00 O ATOM 0 H ASP A 16 1.721 10.694 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.344 9.723 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.052 12.183 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.599 11.803 1.004 1.00 0.00 H new ATOM 208 N LEU A 17 -2.600 9.866 -0.674 1.00 0.00 N ATOM 209 CA LEU A 17 -3.876 9.746 -1.370 1.00 0.00 C ATOM 210 C LEU A 17 -5.023 10.237 -0.492 1.00 0.00 C ATOM 211 O LEU A 17 -4.958 10.157 0.733 1.00 0.00 O ATOM 212 CB LEU A 17 -4.120 8.293 -1.781 1.00 0.00 C ATOM 213 CG LEU A 17 -5.489 7.989 -2.391 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.665 8.731 -3.706 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.662 6.491 -2.595 1.00 0.00 C ATOM 0 H LEU A 17 -2.612 9.529 0.289 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.834 10.368 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.352 8.006 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.987 7.661 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.257 8.332 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.645 8.502 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.587 9.804 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.890 8.420 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.642 6.294 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.886 6.123 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.582 5.981 -1.635 1.00 0.00 H new ATOM 227 N ASN A 18 -6.074 10.744 -1.129 1.00 0.00 N ATOM 228 CA ASN A 18 -7.236 11.247 -0.407 1.00 0.00 C ATOM 229 C ASN A 18 -8.525 10.657 -0.972 1.00 0.00 C ATOM 230 O ASN A 18 -8.942 10.999 -2.079 1.00 0.00 O ATOM 231 CB ASN A 18 -7.286 12.774 -0.479 1.00 0.00 C ATOM 232 CG ASN A 18 -6.968 13.298 -1.866 1.00 0.00 C ATOM 233 OD1 ASN A 18 -7.840 13.363 -2.733 1.00 0.00 O ATOM 234 ND2 ASN A 18 -5.713 13.674 -2.083 1.00 0.00 N ATOM 0 H ASN A 18 -6.144 10.817 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.144 10.942 0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.277 13.117 -0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.577 13.192 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.439 14.034 -2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.023 13.603 -1.335 1.00 0.00 H new ATOM 241 N ILE A 19 -9.150 9.771 -0.204 1.00 0.00 N ATOM 242 CA ILE A 19 -10.392 9.136 -0.627 1.00 0.00 C ATOM 243 C ILE A 19 -11.442 9.191 0.478 1.00 0.00 C ATOM 244 O ILE A 19 -11.110 9.281 1.660 1.00 0.00 O ATOM 245 CB ILE A 19 -10.164 7.667 -1.031 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.429 7.088 -1.668 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.749 6.844 0.179 1.00 0.00 C ATOM 248 CD1 ILE A 19 -11.152 5.987 -2.667 1.00 0.00 C ATOM 0 H ILE A 19 -8.817 9.477 0.714 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.751 9.691 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.360 7.628 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.077 6.700 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.976 7.890 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.592 5.808 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.824 7.246 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.533 6.887 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.094 5.624 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.530 6.375 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.633 5.167 -2.170 1.00 0.00 H new ATOM 260 N SER A 20 -12.710 9.133 0.084 1.00 0.00 N ATOM 261 CA SER A 20 -13.810 9.177 1.041 1.00 0.00 C ATOM 262 C SER A 20 -14.103 7.787 1.597 1.00 0.00 C ATOM 263 O SER A 20 -13.775 6.777 0.975 1.00 0.00 O ATOM 264 CB SER A 20 -15.065 9.751 0.381 1.00 0.00 C ATOM 265 OG SER A 20 -14.840 11.071 -0.083 1.00 0.00 O ATOM 0 H SER A 20 -13.001 9.055 -0.890 1.00 0.00 H new ATOM 0 HA SER A 20 -13.515 9.824 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.364 9.115 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.888 9.749 1.095 1.00 0.00 H new ATOM 0 HG SER A 20 -15.657 11.414 -0.502 1.00 0.00 H new ATOM 271 N GLU A 21 -14.724 7.745 2.772 1.00 0.00 N ATOM 272 CA GLU A 21 -15.061 6.479 3.412 1.00 0.00 C ATOM 273 C GLU A 21 -16.078 5.703 2.580 1.00 0.00 C ATOM 274 O GLU A 21 -17.069 6.261 2.112 1.00 0.00 O ATOM 275 CB GLU A 21 -15.616 6.724 4.817 1.00 0.00 C ATOM 276 CG GLU A 21 -16.379 5.539 5.385 1.00 0.00 C ATOM 277 CD GLU A 21 -17.048 5.857 6.708 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.937 6.734 6.726 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.684 5.229 7.724 1.00 0.00 O ATOM 0 H GLU A 21 -15.003 8.572 3.299 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.150 5.885 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.792 6.969 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.275 7.592 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.135 5.220 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.694 4.702 5.520 1.00 0.00 H new ATOM 286 N GLY A 22 -15.822 4.410 2.399 1.00 0.00 N ATOM 287 CA GLY A 22 -16.723 3.578 1.623 1.00 0.00 C ATOM 288 C GLY A 22 -16.456 3.666 0.134 1.00 0.00 C ATOM 289 O GLY A 22 -17.388 3.681 -0.671 1.00 0.00 O ATOM 0 H GLY A 22 -15.008 3.925 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.624 2.542 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.752 3.878 1.823 1.00 0.00 H new ATOM 293 N ARG A 23 -15.180 3.727 -0.234 1.00 0.00 N ATOM 294 CA ARG A 23 -14.794 3.818 -1.637 1.00 0.00 C ATOM 295 C ARG A 23 -13.573 2.948 -1.922 1.00 0.00 C ATOM 296 O ARG A 23 -12.888 2.503 -1.002 1.00 0.00 O ATOM 297 CB ARG A 23 -14.497 5.271 -2.014 1.00 0.00 C ATOM 298 CG ARG A 23 -15.694 6.195 -1.865 1.00 0.00 C ATOM 299 CD ARG A 23 -15.633 7.349 -2.853 1.00 0.00 C ATOM 300 NE ARG A 23 -16.961 7.869 -3.170 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.168 8.969 -3.886 1.00 0.00 C ATOM 302 NH1 ARG A 23 -16.139 9.661 -4.356 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.406 9.378 -4.132 1.00 0.00 N ATOM 0 H ARG A 23 -14.397 3.715 0.419 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.626 3.456 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.683 5.641 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.148 5.306 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.613 5.630 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.729 6.586 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.020 8.149 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.146 7.016 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.774 7.360 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.186 9.349 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.300 10.505 -4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.199 8.848 -3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.564 10.223 -4.682 1.00 0.00 H new ATOM 317 N MET A 24 -13.308 2.710 -3.202 1.00 0.00 N ATOM 318 CA MET A 24 -12.169 1.894 -3.608 1.00 0.00 C ATOM 319 C MET A 24 -10.891 2.726 -3.647 1.00 0.00 C ATOM 320 O MET A 24 -10.878 3.837 -4.176 1.00 0.00 O ATOM 321 CB MET A 24 -12.426 1.268 -4.980 1.00 0.00 C ATOM 322 CG MET A 24 -11.734 -0.071 -5.176 1.00 0.00 C ATOM 323 SD MET A 24 -12.586 -1.126 -6.364 1.00 0.00 S ATOM 324 CE MET A 24 -11.493 -2.545 -6.402 1.00 0.00 C ATOM 0 H MET A 24 -13.866 3.070 -3.976 1.00 0.00 H new ATOM 0 HA MET A 24 -12.042 1.100 -2.872 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.500 1.136 -5.115 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.090 1.958 -5.754 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.712 0.099 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.671 -0.587 -4.218 1.00 0.00 H new ATOM 0 HE1 MET A 24 -12.073 -3.446 -6.603 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.749 -2.410 -7.187 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.991 -2.644 -5.439 1.00 0.00 H new ATOM 334 N ALA A 25 -9.818 2.180 -3.084 1.00 0.00 N ATOM 335 CA ALA A 25 -8.535 2.871 -3.056 1.00 0.00 C ATOM 336 C ALA A 25 -7.415 1.970 -3.564 1.00 0.00 C ATOM 337 O ALA A 25 -7.561 0.749 -3.609 1.00 0.00 O ATOM 338 CB ALA A 25 -8.227 3.356 -1.647 1.00 0.00 C ATOM 0 H ALA A 25 -9.812 1.261 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.601 3.734 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.266 3.870 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.008 4.043 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.186 2.503 -0.969 1.00 0.00 H new ATOM 344 N GLU A 26 -6.297 2.580 -3.946 1.00 0.00 N ATOM 345 CA GLU A 26 -5.153 1.831 -4.453 1.00 0.00 C ATOM 346 C GLU A 26 -3.869 2.644 -4.319 1.00 0.00 C ATOM 347 O GLU A 26 -3.861 3.855 -4.542 1.00 0.00 O ATOM 348 CB GLU A 26 -5.376 1.445 -5.916 1.00 0.00 C ATOM 349 CG GLU A 26 -6.647 0.646 -6.149 1.00 0.00 C ATOM 350 CD GLU A 26 -6.817 0.228 -7.596 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.923 -0.470 -8.120 1.00 0.00 O ATOM 352 OE2 GLU A 26 -7.842 0.598 -8.205 1.00 0.00 O ATOM 0 H GLU A 26 -6.159 3.590 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.052 0.924 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.411 2.351 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.522 0.863 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.634 -0.242 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.507 1.242 -5.844 1.00 0.00 H new ATOM 359 N LEU A 27 -2.785 1.969 -3.953 1.00 0.00 N ATOM 360 CA LEU A 27 -1.493 2.627 -3.788 1.00 0.00 C ATOM 361 C LEU A 27 -0.537 2.239 -4.912 1.00 0.00 C ATOM 362 O LEU A 27 -0.315 1.056 -5.172 1.00 0.00 O ATOM 363 CB LEU A 27 -0.881 2.263 -2.434 1.00 0.00 C ATOM 364 CG LEU A 27 -1.414 3.035 -1.227 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.329 2.185 0.031 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.647 4.337 -1.047 1.00 0.00 C ATOM 0 H LEU A 27 -2.775 0.967 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.654 3.704 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.042 1.199 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.196 2.417 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.462 3.275 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.713 2.751 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.923 1.281 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.290 1.913 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.039 4.874 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.409 4.118 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.761 4.953 -1.939 1.00 0.00 H new ATOM 378 N LYS A 28 0.027 3.243 -5.574 1.00 0.00 N ATOM 379 CA LYS A 28 0.963 3.009 -6.668 1.00 0.00 C ATOM 380 C LYS A 28 2.321 2.564 -6.136 1.00 0.00 C ATOM 381 O LYS A 28 3.006 3.320 -5.446 1.00 0.00 O ATOM 382 CB LYS A 28 1.122 4.276 -7.510 1.00 0.00 C ATOM 383 CG LYS A 28 0.002 4.485 -8.514 1.00 0.00 C ATOM 384 CD LYS A 28 0.160 3.579 -9.724 1.00 0.00 C ATOM 385 CE LYS A 28 -0.970 3.779 -10.722 1.00 0.00 C ATOM 386 NZ LYS A 28 -0.757 4.987 -11.566 1.00 0.00 N ATOM 0 H LYS A 28 -0.148 4.227 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 28 0.560 2.213 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.169 5.139 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.072 4.231 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.958 4.290 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.009 5.526 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.115 3.781 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.181 2.538 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.050 2.899 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.915 3.872 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.548 5.088 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.706 5.830 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.132 4.888 -12.096 1.00 0.00 H new ATOM 400 N CYS A 29 2.706 1.336 -6.463 1.00 0.00 N ATOM 401 CA CYS A 29 3.985 0.791 -6.019 1.00 0.00 C ATOM 402 C CYS A 29 4.428 -0.358 -6.918 1.00 0.00 C ATOM 403 O CYS A 29 3.688 -1.320 -7.124 1.00 0.00 O ATOM 404 CB CYS A 29 3.882 0.311 -4.571 1.00 0.00 C ATOM 405 SG CYS A 29 5.370 -0.515 -3.960 1.00 0.00 S ATOM 0 H CYS A 29 2.151 0.698 -7.034 1.00 0.00 H new ATOM 0 HA CYS A 29 4.731 1.584 -6.080 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.665 1.166 -3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.038 -0.374 -4.486 1.00 0.00 H new ATOM 0 HG CYS A 29 5.740 -1.427 -4.809 1.00 0.00 H new ATOM 411 N ARG A 30 5.641 -0.250 -7.452 1.00 0.00 N ATOM 412 CA ARG A 30 6.182 -1.278 -8.332 1.00 0.00 C ATOM 413 C ARG A 30 7.363 -1.989 -7.677 1.00 0.00 C ATOM 414 O ARG A 30 8.212 -1.355 -7.049 1.00 0.00 O ATOM 415 CB ARG A 30 6.619 -0.663 -9.663 1.00 0.00 C ATOM 416 CG ARG A 30 5.494 -0.551 -10.680 1.00 0.00 C ATOM 417 CD ARG A 30 6.018 -0.658 -12.104 1.00 0.00 C ATOM 418 NE ARG A 30 4.936 -0.702 -13.084 1.00 0.00 N ATOM 419 CZ ARG A 30 5.117 -0.519 -14.387 1.00 0.00 C ATOM 420 NH1 ARG A 30 6.331 -0.282 -14.864 1.00 0.00 N ATOM 421 NH2 ARG A 30 4.082 -0.575 -15.215 1.00 0.00 N ATOM 0 H ARG A 30 6.267 0.539 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 30 5.396 -2.010 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.030 0.329 -9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.422 -1.267 -10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.761 -1.337 -10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.979 0.401 -10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.665 0.193 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.629 -1.555 -12.199 1.00 0.00 H new ATOM 0 HE ARG A 30 3.990 -0.883 -12.749 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.129 -0.240 -14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.467 -0.142 -15.865 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.147 -0.759 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.221 -0.434 -16.216 1.00 0.00 H new ATOM 435 N THR A 31 7.409 -3.309 -7.826 1.00 0.00 N ATOM 436 CA THR A 31 8.484 -4.106 -7.247 1.00 0.00 C ATOM 437 C THR A 31 9.148 -4.982 -8.303 1.00 0.00 C ATOM 438 O THR A 31 8.509 -5.458 -9.241 1.00 0.00 O ATOM 439 CB THR A 31 7.967 -5.000 -6.104 1.00 0.00 C ATOM 440 OG1 THR A 31 6.745 -5.636 -6.495 1.00 0.00 O ATOM 441 CG2 THR A 31 7.740 -4.186 -4.840 1.00 0.00 C ATOM 0 H THR A 31 6.715 -3.849 -8.343 1.00 0.00 H new ATOM 0 HA THR A 31 9.217 -3.406 -6.847 1.00 0.00 H new ATOM 0 HB THR A 31 8.721 -5.759 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.029 -5.376 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.375 -4.839 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.679 -3.727 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.003 -3.407 -5.036 1.00 0.00 H new ATOM 449 N PRO A 32 10.462 -5.203 -8.148 1.00 0.00 N ATOM 450 CA PRO A 32 11.241 -6.025 -9.079 1.00 0.00 C ATOM 451 C PRO A 32 10.882 -7.504 -8.986 1.00 0.00 C ATOM 452 O PRO A 32 10.164 -7.938 -8.085 1.00 0.00 O ATOM 453 CB PRO A 32 12.687 -5.797 -8.629 1.00 0.00 C ATOM 454 CG PRO A 32 12.581 -5.423 -7.190 1.00 0.00 C ATOM 455 CD PRO A 32 11.288 -4.668 -7.053 1.00 0.00 C ATOM 0 HA PRO A 32 11.055 -5.752 -10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.289 -6.696 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.162 -5.006 -9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.585 -6.309 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.427 -4.808 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.825 -4.837 -6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.438 -3.593 -7.151 1.00 0.00 H new ATOM 463 N PRO A 33 11.392 -8.299 -9.939 1.00 0.00 N ATOM 464 CA PRO A 33 11.139 -9.742 -9.986 1.00 0.00 C ATOM 465 C PRO A 33 11.834 -10.489 -8.853 1.00 0.00 C ATOM 466 O PRO A 33 12.868 -10.050 -8.350 1.00 0.00 O ATOM 467 CB PRO A 33 11.720 -10.160 -11.339 1.00 0.00 C ATOM 468 CG PRO A 33 12.759 -9.136 -11.638 1.00 0.00 C ATOM 469 CD PRO A 33 12.255 -7.849 -11.044 1.00 0.00 C ATOM 0 HA PRO A 33 10.080 -9.975 -9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.152 -11.160 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.951 -10.180 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.719 -9.416 -11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.911 -9.037 -12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.073 -7.224 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.699 -7.260 -11.774 1.00 0.00 H new ATOM 477 N MET A 34 11.260 -11.621 -8.457 1.00 0.00 N ATOM 478 CA MET A 34 11.827 -12.430 -7.384 1.00 0.00 C ATOM 479 C MET A 34 11.993 -11.606 -6.111 1.00 0.00 C ATOM 480 O MET A 34 12.979 -11.753 -5.390 1.00 0.00 O ATOM 481 CB MET A 34 13.177 -13.008 -7.811 1.00 0.00 C ATOM 482 CG MET A 34 13.118 -13.794 -9.111 1.00 0.00 C ATOM 483 SD MET A 34 14.427 -15.028 -9.236 1.00 0.00 S ATOM 484 CE MET A 34 13.696 -16.389 -8.329 1.00 0.00 C ATOM 0 H MET A 34 10.404 -11.998 -8.863 1.00 0.00 H new ATOM 0 HA MET A 34 11.138 -13.249 -7.178 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.893 -12.194 -7.921 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.551 -13.658 -7.020 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.150 -14.288 -9.189 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.192 -13.104 -9.952 1.00 0.00 H new ATOM 0 HE1 MET A 34 14.388 -17.231 -8.317 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.489 -16.075 -7.306 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.766 -16.690 -8.811 1.00 0.00 H new ATOM 494 N SER A 35 11.022 -10.739 -5.842 1.00 0.00 N ATOM 495 CA SER A 35 11.063 -9.888 -4.658 1.00 0.00 C ATOM 496 C SER A 35 9.780 -10.026 -3.845 1.00 0.00 C ATOM 497 O SER A 35 8.690 -10.158 -4.402 1.00 0.00 O ATOM 498 CB SER A 35 11.271 -8.427 -5.061 1.00 0.00 C ATOM 499 OG SER A 35 10.069 -7.857 -5.548 1.00 0.00 O ATOM 0 H SER A 35 10.197 -10.607 -6.428 1.00 0.00 H new ATOM 0 HA SER A 35 11.901 -10.209 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.626 -7.857 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.044 -8.364 -5.827 1.00 0.00 H new ATOM 0 HG SER A 35 10.212 -7.520 -6.457 1.00 0.00 H new ATOM 505 N SER A 36 9.918 -9.995 -2.523 1.00 0.00 N ATOM 506 CA SER A 36 8.770 -10.121 -1.632 1.00 0.00 C ATOM 507 C SER A 36 8.065 -8.779 -1.463 1.00 0.00 C ATOM 508 O SER A 36 8.702 -7.756 -1.211 1.00 0.00 O ATOM 509 CB SER A 36 9.214 -10.652 -0.268 1.00 0.00 C ATOM 510 OG SER A 36 8.135 -10.661 0.651 1.00 0.00 O ATOM 0 H SER A 36 10.813 -9.884 -2.046 1.00 0.00 H new ATOM 0 HA SER A 36 8.069 -10.826 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.610 -11.661 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.022 -10.033 0.121 1.00 0.00 H new ATOM 0 HG SER A 36 8.444 -11.006 1.515 1.00 0.00 H new ATOM 516 N VAL A 37 6.743 -8.790 -1.604 1.00 0.00 N ATOM 517 CA VAL A 37 5.949 -7.576 -1.466 1.00 0.00 C ATOM 518 C VAL A 37 5.133 -7.595 -0.178 1.00 0.00 C ATOM 519 O VAL A 37 4.306 -8.482 0.033 1.00 0.00 O ATOM 520 CB VAL A 37 4.995 -7.390 -2.662 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.141 -6.145 -2.475 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.781 -7.317 -3.962 1.00 0.00 C ATOM 0 H VAL A 37 6.200 -9.627 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 37 6.650 -6.742 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 37 4.331 -8.253 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.474 -6.030 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.551 -6.242 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.786 -5.270 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.092 -7.186 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.470 -6.473 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.345 -8.240 -4.099 1.00 0.00 H new ATOM 532 N LYS A 38 5.371 -6.611 0.681 1.00 0.00 N ATOM 533 CA LYS A 38 4.658 -6.512 1.949 1.00 0.00 C ATOM 534 C LYS A 38 4.199 -5.080 2.206 1.00 0.00 C ATOM 535 O LYS A 38 4.729 -4.135 1.622 1.00 0.00 O ATOM 536 CB LYS A 38 5.551 -6.986 3.098 1.00 0.00 C ATOM 537 CG LYS A 38 6.051 -8.410 2.932 1.00 0.00 C ATOM 538 CD LYS A 38 6.280 -9.081 4.276 1.00 0.00 C ATOM 539 CE LYS A 38 7.692 -8.839 4.787 1.00 0.00 C ATOM 540 NZ LYS A 38 8.686 -9.714 4.106 1.00 0.00 N ATOM 0 H LYS A 38 6.053 -5.869 0.522 1.00 0.00 H new ATOM 0 HA LYS A 38 3.778 -7.152 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.407 -6.317 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.996 -6.911 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.327 -8.986 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.981 -8.406 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.560 -8.701 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.104 -10.153 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.961 -7.794 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.725 -9.019 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.631 -9.543 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.425 -10.711 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.697 -9.500 3.088 1.00 0.00 H new ATOM 554 N TRP A 39 3.212 -4.928 3.081 1.00 0.00 N ATOM 555 CA TRP A 39 2.683 -3.611 3.415 1.00 0.00 C ATOM 556 C TRP A 39 2.398 -3.501 4.909 1.00 0.00 C ATOM 557 O TRP A 39 1.477 -4.138 5.424 1.00 0.00 O ATOM 558 CB TRP A 39 1.407 -3.334 2.618 1.00 0.00 C ATOM 559 CG TRP A 39 1.669 -2.932 1.199 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.869 -3.764 0.135 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.761 -1.597 0.689 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.080 -3.027 -1.006 1.00 0.00 N ATOM 563 CE2 TRP A 39 2.018 -1.695 -0.693 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.649 -0.328 1.265 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.165 -0.573 -1.503 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.796 0.784 0.459 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.051 0.656 -0.913 1.00 0.00 C ATOM 0 H TRP A 39 2.762 -5.700 3.572 1.00 0.00 H new ATOM 0 HA TRP A 39 3.436 -2.868 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.781 -4.227 2.626 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.842 -2.544 3.113 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.862 -4.843 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.254 -3.410 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.451 -0.219 2.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.362 -0.669 -2.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.713 1.769 0.894 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.160 1.545 -1.516 1.00 0.00 H new ATOM 578 N LEU A 40 3.192 -2.692 5.601 1.00 0.00 N ATOM 579 CA LEU A 40 3.024 -2.499 7.037 1.00 0.00 C ATOM 580 C LEU A 40 1.896 -1.514 7.326 1.00 0.00 C ATOM 581 O LEU A 40 1.725 -0.523 6.615 1.00 0.00 O ATOM 582 CB LEU A 40 4.328 -1.995 7.659 1.00 0.00 C ATOM 583 CG LEU A 40 4.205 -1.340 9.036 1.00 0.00 C ATOM 584 CD1 LEU A 40 4.312 -2.385 10.136 1.00 0.00 C ATOM 585 CD2 LEU A 40 5.269 -0.267 9.212 1.00 0.00 C ATOM 0 H LEU A 40 3.959 -2.159 5.191 1.00 0.00 H new ATOM 0 HA LEU A 40 2.764 -3.460 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.018 -2.835 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.779 -1.276 6.975 1.00 0.00 H new ATOM 0 HG LEU A 40 3.225 -0.868 9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.222 -1.900 11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.513 -3.118 10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.277 -2.887 10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.167 0.189 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.258 -0.717 9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.146 0.497 8.444 1.00 0.00 H new ATOM 597 N LEU A 41 1.129 -1.793 8.374 1.00 0.00 N ATOM 598 CA LEU A 41 0.017 -0.930 8.760 1.00 0.00 C ATOM 599 C LEU A 41 0.417 -0.006 9.906 1.00 0.00 C ATOM 600 O LEU A 41 1.299 -0.316 10.707 1.00 0.00 O ATOM 601 CB LEU A 41 -1.191 -1.774 9.168 1.00 0.00 C ATOM 602 CG LEU A 41 -1.753 -2.706 8.093 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.166 -1.913 6.863 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.732 -3.772 7.725 1.00 0.00 C ATOM 0 H LEU A 41 1.256 -2.610 8.972 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.250 -0.316 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.913 -2.376 10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.987 -1.102 9.490 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.637 -3.202 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.563 -2.592 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.932 -1.188 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.299 -1.390 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.149 -4.426 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.171 -3.295 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.485 -4.360 8.609 1.00 0.00 H new ATOM 616 N PRO A 42 -0.247 1.156 9.988 1.00 0.00 N ATOM 617 CA PRO A 42 0.020 2.148 11.034 1.00 0.00 C ATOM 618 C PRO A 42 -0.437 1.677 12.410 1.00 0.00 C ATOM 619 O PRO A 42 -0.364 2.420 13.387 1.00 0.00 O ATOM 620 CB PRO A 42 -0.796 3.364 10.587 1.00 0.00 C ATOM 621 CG PRO A 42 -1.892 2.798 9.751 1.00 0.00 C ATOM 622 CD PRO A 42 -1.310 1.592 9.067 1.00 0.00 C ATOM 0 HA PRO A 42 1.086 2.349 11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.193 3.911 11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.184 4.064 10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.749 2.522 10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.244 3.528 9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.058 0.813 8.920 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.912 1.841 8.083 1.00 0.00 H new ATOM 630 N ASN A 43 -0.909 0.436 12.479 1.00 0.00 N ATOM 631 CA ASN A 43 -1.379 -0.135 13.737 1.00 0.00 C ATOM 632 C ASN A 43 -0.358 -1.118 14.302 1.00 0.00 C ATOM 633 O ASN A 43 -0.556 -1.685 15.376 1.00 0.00 O ATOM 634 CB ASN A 43 -2.722 -0.838 13.532 1.00 0.00 C ATOM 635 CG ASN A 43 -2.853 -1.441 12.146 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.357 -0.800 11.224 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.399 -2.680 11.995 1.00 0.00 N ATOM 0 H ASN A 43 -0.976 -0.193 11.679 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.508 0.678 14.451 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.836 -1.623 14.279 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.531 -0.125 13.693 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.461 -3.138 11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.989 -3.173 12.788 1.00 0.00 H new ATOM 644 N GLY A 44 0.735 -1.314 13.571 1.00 0.00 N ATOM 645 CA GLY A 44 1.771 -2.228 14.016 1.00 0.00 C ATOM 646 C GLY A 44 1.837 -3.484 13.171 1.00 0.00 C ATOM 647 O GLY A 44 2.921 -3.995 12.887 1.00 0.00 O ATOM 0 H GLY A 44 0.922 -0.856 12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.736 -1.722 13.985 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.588 -2.502 15.055 1.00 0.00 H new ATOM 651 N THR A 45 0.674 -3.987 12.769 1.00 0.00 N ATOM 652 CA THR A 45 0.604 -5.193 11.954 1.00 0.00 C ATOM 653 C THR A 45 1.160 -4.946 10.556 1.00 0.00 C ATOM 654 O THR A 45 1.478 -3.812 10.195 1.00 0.00 O ATOM 655 CB THR A 45 -0.843 -5.707 11.835 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.522 -5.554 13.086 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.865 -7.170 11.416 1.00 0.00 C ATOM 0 H THR A 45 -0.232 -3.577 12.995 1.00 0.00 H new ATOM 0 HA THR A 45 1.210 -5.948 12.455 1.00 0.00 H new ATOM 0 HB THR A 45 -1.352 -5.119 11.072 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.442 -5.882 13.001 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.897 -7.511 11.339 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.373 -7.279 10.449 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.340 -7.769 12.160 1.00 0.00 H new ATOM 665 N VAL A 46 1.274 -6.013 9.772 1.00 0.00 N ATOM 666 CA VAL A 46 1.790 -5.911 8.412 1.00 0.00 C ATOM 667 C VAL A 46 1.258 -7.039 7.536 1.00 0.00 C ATOM 668 O VAL A 46 1.241 -8.202 7.944 1.00 0.00 O ATOM 669 CB VAL A 46 3.330 -5.942 8.392 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.847 -7.197 9.079 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.845 -5.856 6.964 1.00 0.00 C ATOM 0 H VAL A 46 1.016 -6.958 10.055 1.00 0.00 H new ATOM 0 HA VAL A 46 1.448 -4.955 8.015 1.00 0.00 H new ATOM 0 HB VAL A 46 3.701 -5.077 8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.937 -7.202 9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.506 -7.212 10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.469 -8.078 8.560 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.935 -5.879 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.466 -6.701 6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.504 -4.926 6.510 1.00 0.00 H new ATOM 681 N LEU A 47 0.824 -6.690 6.330 1.00 0.00 N ATOM 682 CA LEU A 47 0.291 -7.674 5.394 1.00 0.00 C ATOM 683 C LEU A 47 1.285 -7.951 4.271 1.00 0.00 C ATOM 684 O LEU A 47 2.393 -7.416 4.263 1.00 0.00 O ATOM 685 CB LEU A 47 -1.035 -7.185 4.809 1.00 0.00 C ATOM 686 CG LEU A 47 -2.181 -7.002 5.804 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.347 -6.278 5.148 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.629 -8.348 6.355 1.00 0.00 C ATOM 0 H LEU A 47 0.831 -5.733 5.977 1.00 0.00 H new ATOM 0 HA LEU A 47 0.119 -8.602 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.859 -6.233 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.354 -7.893 4.044 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.822 -6.393 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.153 -6.157 5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.019 -5.298 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.706 -6.860 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.445 -8.198 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.970 -8.981 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.793 -8.830 6.863 1.00 0.00 H new ATOM 700 N SER A 48 0.879 -8.790 3.322 1.00 0.00 N ATOM 701 CA SER A 48 1.734 -9.139 2.194 1.00 0.00 C ATOM 702 C SER A 48 0.985 -10.016 1.196 1.00 0.00 C ATOM 703 O SER A 48 -0.210 -10.269 1.348 1.00 0.00 O ATOM 704 CB SER A 48 2.990 -9.863 2.684 1.00 0.00 C ATOM 705 OG SER A 48 2.665 -11.117 3.258 1.00 0.00 O ATOM 0 H SER A 48 -0.036 -9.240 3.313 1.00 0.00 H new ATOM 0 HA SER A 48 2.027 -8.217 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.678 -10.008 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.506 -9.246 3.420 1.00 0.00 H new ATOM 0 HG SER A 48 3.485 -11.560 3.562 1.00 0.00 H new ATOM 711 N HIS A 49 1.697 -10.479 0.173 1.00 0.00 N ATOM 712 CA HIS A 49 1.101 -11.328 -0.852 1.00 0.00 C ATOM 713 C HIS A 49 0.506 -12.590 -0.233 1.00 0.00 C ATOM 714 O HIS A 49 -0.260 -13.306 -0.876 1.00 0.00 O ATOM 715 CB HIS A 49 2.146 -11.706 -1.903 1.00 0.00 C ATOM 716 CG HIS A 49 1.571 -12.410 -3.093 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.823 -11.769 -4.058 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.638 -13.708 -3.472 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.455 -12.642 -4.979 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.937 -13.826 -4.646 1.00 0.00 N ATOM 0 H HIS A 49 2.687 -10.280 0.032 1.00 0.00 H new ATOM 0 HA HIS A 49 0.300 -10.767 -1.333 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.656 -10.803 -2.237 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.899 -12.345 -1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.148 -14.503 -2.948 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.139 -12.425 -5.855 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.809 -14.688 -5.176 1.00 0.00 H new ATOM 729 N ALA A 50 0.866 -12.855 1.019 1.00 0.00 N ATOM 730 CA ALA A 50 0.367 -14.029 1.724 1.00 0.00 C ATOM 731 C ALA A 50 -0.991 -13.751 2.360 1.00 0.00 C ATOM 732 O ALA A 50 -1.972 -14.438 2.076 1.00 0.00 O ATOM 733 CB ALA A 50 1.366 -14.473 2.782 1.00 0.00 C ATOM 0 H ALA A 50 1.501 -12.273 1.565 1.00 0.00 H new ATOM 0 HA ALA A 50 0.242 -14.832 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.981 -15.351 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.315 -14.721 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.520 -13.666 3.499 1.00 0.00 H new ATOM 739 N SER A 51 -1.040 -12.741 3.223 1.00 0.00 N ATOM 740 CA SER A 51 -2.277 -12.376 3.902 1.00 0.00 C ATOM 741 C SER A 51 -3.474 -12.522 2.968 1.00 0.00 C ATOM 742 O SER A 51 -3.379 -12.246 1.771 1.00 0.00 O ATOM 743 CB SER A 51 -2.193 -10.939 4.421 1.00 0.00 C ATOM 744 OG SER A 51 -1.761 -10.053 3.403 1.00 0.00 O ATOM 0 H SER A 51 -0.237 -12.161 3.468 1.00 0.00 H new ATOM 0 HA SER A 51 -2.413 -13.053 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.169 -10.625 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.503 -10.893 5.264 1.00 0.00 H new ATOM 0 HG SER A 51 -1.378 -10.568 2.662 1.00 0.00 H new ATOM 750 N ARG A 52 -4.600 -12.957 3.522 1.00 0.00 N ATOM 751 CA ARG A 52 -5.816 -13.142 2.739 1.00 0.00 C ATOM 752 C ARG A 52 -6.828 -12.039 3.038 1.00 0.00 C ATOM 753 O ARG A 52 -8.034 -12.228 2.876 1.00 0.00 O ATOM 754 CB ARG A 52 -6.435 -14.510 3.033 1.00 0.00 C ATOM 755 CG ARG A 52 -6.623 -14.787 4.516 1.00 0.00 C ATOM 756 CD ARG A 52 -7.106 -16.209 4.759 1.00 0.00 C ATOM 757 NE ARG A 52 -5.995 -17.144 4.918 1.00 0.00 N ATOM 758 CZ ARG A 52 -5.156 -17.121 5.948 1.00 0.00 C ATOM 759 NH1 ARG A 52 -5.301 -16.215 6.905 1.00 0.00 N ATOM 760 NH2 ARG A 52 -4.170 -18.006 6.021 1.00 0.00 N ATOM 0 H ARG A 52 -4.696 -13.188 4.511 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.549 -13.091 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.402 -14.577 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.801 -15.286 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.681 -14.627 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.342 -14.081 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.730 -16.232 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.731 -16.527 3.925 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.856 -17.854 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.058 -15.533 6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.656 -16.200 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.056 -18.704 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.526 -17.988 6.812 1.00 0.00 H new ATOM 774 N HIS A 53 -6.328 -10.888 3.477 1.00 0.00 N ATOM 775 CA HIS A 53 -7.189 -9.755 3.799 1.00 0.00 C ATOM 776 C HIS A 53 -8.122 -9.433 2.636 1.00 0.00 C ATOM 777 O HIS A 53 -7.699 -9.307 1.486 1.00 0.00 O ATOM 778 CB HIS A 53 -6.344 -8.528 4.144 1.00 0.00 C ATOM 779 CG HIS A 53 -7.019 -7.583 5.090 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.088 -6.791 4.726 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.773 -7.306 6.391 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.469 -6.066 5.763 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.687 -6.361 6.787 1.00 0.00 N ATOM 0 H HIS A 53 -5.333 -10.715 3.618 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.795 -10.025 4.664 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.402 -8.857 4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.099 -7.996 3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.001 -7.746 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.281 -5.354 5.772 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.752 -5.953 7.720 1.00 0.00 H new ATOM 792 N PRO A 54 -9.421 -9.299 2.938 1.00 0.00 N ATOM 793 CA PRO A 54 -10.441 -8.991 1.931 1.00 0.00 C ATOM 794 C PRO A 54 -10.317 -7.568 1.398 1.00 0.00 C ATOM 795 O PRO A 54 -10.274 -7.351 0.186 1.00 0.00 O ATOM 796 CB PRO A 54 -11.757 -9.163 2.695 1.00 0.00 C ATOM 797 CG PRO A 54 -11.401 -8.927 4.122 1.00 0.00 C ATOM 798 CD PRO A 54 -9.996 -9.436 4.288 1.00 0.00 C ATOM 0 HA PRO A 54 -10.355 -9.632 1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.509 -8.453 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.171 -10.161 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.464 -7.867 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.087 -9.451 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.441 -8.852 5.022 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.981 -10.472 4.628 1.00 0.00 H new ATOM 806 N ARG A 55 -10.261 -6.602 2.308 1.00 0.00 N ATOM 807 CA ARG A 55 -10.143 -5.199 1.928 1.00 0.00 C ATOM 808 C ARG A 55 -8.752 -4.901 1.377 1.00 0.00 C ATOM 809 O ARG A 55 -8.592 -4.619 0.189 1.00 0.00 O ATOM 810 CB ARG A 55 -10.431 -4.297 3.130 1.00 0.00 C ATOM 811 CG ARG A 55 -11.913 -4.125 3.420 1.00 0.00 C ATOM 812 CD ARG A 55 -12.203 -2.774 4.055 1.00 0.00 C ATOM 813 NE ARG A 55 -11.078 -2.291 4.851 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.712 -2.829 6.009 1.00 0.00 C ATOM 815 NH1 ARG A 55 -11.378 -3.863 6.503 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.676 -2.333 6.674 1.00 0.00 N ATOM 0 H ARG A 55 -10.295 -6.765 3.314 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.876 -4.997 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.943 -4.713 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.988 -3.317 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.480 -4.222 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.250 -4.921 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.433 -2.049 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.087 -2.853 4.687 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.544 -1.497 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.174 -4.248 5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.095 -4.274 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.160 -1.538 6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.395 -2.747 7.563 1.00 0.00 H new ATOM 830 N ILE A 56 -7.750 -4.964 2.247 1.00 0.00 N ATOM 831 CA ILE A 56 -6.373 -4.701 1.847 1.00 0.00 C ATOM 832 C ILE A 56 -5.820 -5.841 0.999 1.00 0.00 C ATOM 833 O ILE A 56 -5.358 -6.853 1.525 1.00 0.00 O ATOM 834 CB ILE A 56 -5.460 -4.497 3.071 1.00 0.00 C ATOM 835 CG1 ILE A 56 -6.044 -3.429 3.998 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.057 -4.112 2.627 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.357 -3.356 5.344 1.00 0.00 C ATOM 0 H ILE A 56 -7.866 -5.195 3.234 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.385 -3.785 1.257 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.400 -5.436 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.973 -2.457 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.104 -3.632 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.424 -3.971 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.643 -4.904 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.098 -3.184 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.823 -2.578 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.451 -4.315 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.302 -3.122 5.202 1.00 0.00 H new ATOM 849 N SER A 57 -5.869 -5.668 -0.319 1.00 0.00 N ATOM 850 CA SER A 57 -5.374 -6.683 -1.241 1.00 0.00 C ATOM 851 C SER A 57 -4.031 -6.270 -1.834 1.00 0.00 C ATOM 852 O SER A 57 -3.823 -5.107 -2.181 1.00 0.00 O ATOM 853 CB SER A 57 -6.388 -6.921 -2.362 1.00 0.00 C ATOM 854 OG SER A 57 -7.679 -7.179 -1.837 1.00 0.00 O ATOM 0 H SER A 57 -6.246 -4.835 -0.771 1.00 0.00 H new ATOM 0 HA SER A 57 -5.235 -7.609 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.425 -6.048 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.066 -7.763 -2.975 1.00 0.00 H new ATOM 0 HG SER A 57 -8.308 -7.326 -2.574 1.00 0.00 H new ATOM 860 N VAL A 58 -3.120 -7.232 -1.947 1.00 0.00 N ATOM 861 CA VAL A 58 -1.796 -6.970 -2.499 1.00 0.00 C ATOM 862 C VAL A 58 -1.634 -7.617 -3.870 1.00 0.00 C ATOM 863 O VAL A 58 -1.214 -8.769 -3.979 1.00 0.00 O ATOM 864 CB VAL A 58 -0.686 -7.488 -1.565 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.684 -7.256 -2.183 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.785 -6.823 -0.201 1.00 0.00 C ATOM 0 H VAL A 58 -3.275 -8.200 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.703 -5.888 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.819 -8.561 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.455 -7.628 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.748 -7.784 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.832 -6.189 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.007 -7.201 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.678 -5.744 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.755 -7.047 0.243 1.00 0.00 H new ATOM 876 N LEU A 59 -1.970 -6.867 -4.914 1.00 0.00 N ATOM 877 CA LEU A 59 -1.861 -7.367 -6.281 1.00 0.00 C ATOM 878 C LEU A 59 -0.433 -7.803 -6.589 1.00 0.00 C ATOM 879 O LEU A 59 0.528 -7.172 -6.150 1.00 0.00 O ATOM 880 CB LEU A 59 -2.304 -6.292 -7.274 1.00 0.00 C ATOM 881 CG LEU A 59 -3.618 -5.579 -6.951 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.877 -4.459 -7.946 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.774 -6.569 -6.947 1.00 0.00 C ATOM 0 H LEU A 59 -2.320 -5.912 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.514 -8.234 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.515 -5.543 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.395 -6.751 -8.258 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.536 -5.141 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.816 -3.964 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.063 -3.736 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.938 -4.873 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.701 -6.045 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.857 -7.036 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.593 -7.336 -6.194 1.00 0.00 H new ATOM 895 N ASN A 60 -0.301 -8.885 -7.349 1.00 0.00 N ATOM 896 CA ASN A 60 1.011 -9.405 -7.718 1.00 0.00 C ATOM 897 C ASN A 60 1.988 -8.267 -7.998 1.00 0.00 C ATOM 898 O ASN A 60 3.004 -8.126 -7.316 1.00 0.00 O ATOM 899 CB ASN A 60 0.897 -10.308 -8.948 1.00 0.00 C ATOM 900 CG ASN A 60 2.215 -10.447 -9.687 1.00 0.00 C ATOM 901 OD1 ASN A 60 2.589 -9.584 -10.480 1.00 0.00 O ATOM 902 ND2 ASN A 60 2.925 -11.539 -9.428 1.00 0.00 N ATOM 0 H ASN A 60 -1.086 -9.419 -7.721 1.00 0.00 H new ATOM 0 HA ASN A 60 1.392 -9.989 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.550 -11.294 -8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.145 -9.902 -9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.820 -11.688 -9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.576 -12.229 -8.763 1.00 0.00 H new ATOM 909 N ASP A 61 1.673 -7.458 -9.003 1.00 0.00 N ATOM 910 CA ASP A 61 2.522 -6.331 -9.372 1.00 0.00 C ATOM 911 C ASP A 61 3.099 -5.656 -8.131 1.00 0.00 C ATOM 912 O ASP A 61 4.272 -5.287 -8.102 1.00 0.00 O ATOM 913 CB ASP A 61 1.729 -5.316 -10.197 1.00 0.00 C ATOM 914 CG ASP A 61 2.596 -4.183 -10.711 1.00 0.00 C ATOM 915 OD1 ASP A 61 3.429 -3.674 -9.932 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.440 -3.805 -11.891 1.00 0.00 O ATOM 0 H ASP A 61 0.836 -7.561 -9.577 1.00 0.00 H new ATOM 0 HA ASP A 61 3.347 -6.712 -9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.262 -5.824 -11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.924 -4.906 -9.587 1.00 0.00 H new ATOM 921 N GLY A 62 2.265 -5.497 -7.108 1.00 0.00 N ATOM 922 CA GLY A 62 2.710 -4.866 -5.879 1.00 0.00 C ATOM 923 C GLY A 62 1.909 -3.624 -5.542 1.00 0.00 C ATOM 924 O GLY A 62 2.473 -2.592 -5.178 1.00 0.00 O ATOM 0 H GLY A 62 1.289 -5.794 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.631 -5.579 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.763 -4.601 -5.971 1.00 0.00 H new ATOM 928 N THR A 63 0.589 -3.721 -5.666 1.00 0.00 N ATOM 929 CA THR A 63 -0.291 -2.597 -5.375 1.00 0.00 C ATOM 930 C THR A 63 -1.267 -2.938 -4.255 1.00 0.00 C ATOM 931 O THR A 63 -1.859 -4.018 -4.241 1.00 0.00 O ATOM 932 CB THR A 63 -1.087 -2.169 -6.622 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.189 -1.763 -7.661 1.00 0.00 O ATOM 934 CG2 THR A 63 -2.038 -1.028 -6.292 1.00 0.00 C ATOM 0 H THR A 63 0.106 -4.568 -5.966 1.00 0.00 H new ATOM 0 HA THR A 63 0.346 -1.771 -5.059 1.00 0.00 H new ATOM 0 HB THR A 63 -1.673 -3.023 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.703 -1.494 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.589 -0.743 -7.188 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.739 -1.350 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.468 -0.173 -5.929 1.00 0.00 H new ATOM 942 N LEU A 64 -1.432 -2.011 -3.318 1.00 0.00 N ATOM 943 CA LEU A 64 -2.339 -2.213 -2.193 1.00 0.00 C ATOM 944 C LEU A 64 -3.726 -1.662 -2.505 1.00 0.00 C ATOM 945 O LEU A 64 -3.937 -0.450 -2.505 1.00 0.00 O ATOM 946 CB LEU A 64 -1.782 -1.542 -0.936 1.00 0.00 C ATOM 947 CG LEU A 64 -2.196 -2.165 0.397 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.675 -3.590 0.506 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.693 -1.321 1.560 1.00 0.00 C ATOM 0 H LEU A 64 -0.950 -1.112 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.426 -3.285 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.694 -1.551 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.093 -0.497 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.285 -2.194 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.980 -4.017 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.084 -4.190 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.587 -3.586 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.997 -1.780 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.605 -1.259 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.116 -0.319 1.492 1.00 0.00 H new ATOM 961 N ASN A 65 -4.669 -2.560 -2.768 1.00 0.00 N ATOM 962 CA ASN A 65 -6.038 -2.163 -3.081 1.00 0.00 C ATOM 963 C ASN A 65 -6.914 -2.206 -1.833 1.00 0.00 C ATOM 964 O ASN A 65 -6.671 -2.991 -0.916 1.00 0.00 O ATOM 965 CB ASN A 65 -6.622 -3.077 -4.160 1.00 0.00 C ATOM 966 CG ASN A 65 -8.040 -2.693 -4.537 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.979 -2.913 -3.771 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.201 -2.116 -5.722 1.00 0.00 N ATOM 0 H ASN A 65 -4.511 -3.568 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.018 -1.139 -3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.990 -3.038 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.610 -4.108 -3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.132 -1.835 -6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.394 -1.953 -6.324 1.00 0.00 H new ATOM 975 N PHE A 66 -7.936 -1.356 -1.805 1.00 0.00 N ATOM 976 CA PHE A 66 -8.849 -1.296 -0.670 1.00 0.00 C ATOM 977 C PHE A 66 -10.300 -1.243 -1.141 1.00 0.00 C ATOM 978 O PHE A 66 -10.763 -0.220 -1.645 1.00 0.00 O ATOM 979 CB PHE A 66 -8.539 -0.074 0.197 1.00 0.00 C ATOM 980 CG PHE A 66 -7.169 -0.108 0.813 1.00 0.00 C ATOM 981 CD1 PHE A 66 -6.036 -0.112 0.015 1.00 0.00 C ATOM 982 CD2 PHE A 66 -7.014 -0.138 2.190 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.774 -0.143 0.578 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.755 -0.169 2.758 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.634 -0.173 1.952 1.00 0.00 C ATOM 0 H PHE A 66 -8.152 -0.700 -2.555 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.710 -2.200 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.633 0.826 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.284 -0.003 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.140 -0.091 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.887 -0.137 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.899 -0.144 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.648 -0.190 3.832 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.649 -0.200 2.395 1.00 0.00 H new ATOM 995 N SER A 67 -11.010 -2.354 -0.974 1.00 0.00 N ATOM 996 CA SER A 67 -12.407 -2.437 -1.386 1.00 0.00 C ATOM 997 C SER A 67 -13.193 -1.228 -0.889 1.00 0.00 C ATOM 998 O SER A 67 -13.827 -0.520 -1.672 1.00 0.00 O ATOM 999 CB SER A 67 -13.041 -3.725 -0.857 1.00 0.00 C ATOM 1000 OG SER A 67 -12.428 -4.868 -1.429 1.00 0.00 O ATOM 0 H SER A 67 -10.642 -3.209 -0.557 1.00 0.00 H new ATOM 0 HA SER A 67 -12.439 -2.446 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.945 -3.762 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.107 -3.729 -1.083 1.00 0.00 H new ATOM 0 HG SER A 67 -12.850 -5.678 -1.073 1.00 0.00 H new ATOM 1006 N HIS A 68 -13.146 -0.997 0.420 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.853 0.127 1.023 1.00 0.00 C ATOM 1008 C HIS A 68 -13.098 0.654 2.239 1.00 0.00 C ATOM 1009 O HIS A 68 -13.104 0.036 3.304 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.267 -0.292 1.429 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.299 -1.430 2.401 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -14.993 -2.728 2.051 1.00 0.00 N ATOM 1013 CD2 HIS A 68 -15.602 -1.460 3.720 1.00 0.00 C ATOM 1014 CE1 HIS A 68 -15.108 -3.507 3.112 1.00 0.00 C ATOM 1015 NE2 HIS A 68 -15.476 -2.762 4.138 1.00 0.00 N ATOM 0 H HIS A 68 -12.626 -1.573 1.082 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.916 0.924 0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.779 0.564 1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.824 -0.573 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.889 -0.617 4.330 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.931 -4.572 3.136 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.640 -3.099 5.087 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.446 1.801 2.073 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.686 2.412 3.157 1.00 0.00 C ATOM 1026 C VAL A 69 -12.610 2.919 4.258 1.00 0.00 C ATOM 1027 O VAL A 69 -13.721 3.378 3.990 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.822 3.581 2.647 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.796 3.087 1.640 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.699 4.665 2.039 1.00 0.00 C ATOM 0 H VAL A 69 -12.429 2.325 1.198 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.034 1.638 3.562 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.287 4.011 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.195 3.927 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.148 2.349 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.308 2.630 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -11.073 5.483 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.263 4.251 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.391 5.039 2.794 1.00 0.00 H new ATOM 1040 N LEU A 70 -12.143 2.835 5.500 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.928 3.286 6.644 1.00 0.00 C ATOM 1042 C LEU A 70 -12.194 4.384 7.408 1.00 0.00 C ATOM 1043 O LEU A 70 -10.995 4.593 7.218 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.227 2.112 7.577 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.653 0.809 6.901 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.318 -0.384 7.783 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -15.140 0.836 6.580 1.00 0.00 C ATOM 0 H LEU A 70 -11.226 2.459 5.740 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.868 3.694 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.338 1.914 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.015 2.414 8.267 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.102 0.710 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.628 -1.303 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.243 -0.414 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.842 -0.292 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.425 -0.100 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.709 0.959 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.352 1.668 5.909 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.920 5.082 8.273 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.338 6.158 9.069 1.00 0.00 C ATOM 1061 C LEU A 71 -11.226 5.629 9.968 1.00 0.00 C ATOM 1062 O LEU A 71 -10.412 6.396 10.482 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.418 6.833 9.917 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.480 7.621 9.148 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.498 8.218 10.107 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.831 8.711 8.309 1.00 0.00 C ATOM 0 H LEU A 71 -13.913 4.923 8.442 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.910 6.892 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.920 6.067 10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.931 7.509 10.620 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.000 6.937 8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.246 8.775 9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.985 7.418 10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.993 8.889 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.601 9.261 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.285 9.394 8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.141 8.259 7.597 1.00 0.00 H new ATOM 1078 N SER A 72 -11.196 4.313 10.153 1.00 0.00 N ATOM 1079 CA SER A 72 -10.184 3.681 10.991 1.00 0.00 C ATOM 1080 C SER A 72 -8.945 3.327 10.174 1.00 0.00 C ATOM 1081 O SER A 72 -7.861 3.129 10.724 1.00 0.00 O ATOM 1082 CB SER A 72 -10.751 2.423 11.651 1.00 0.00 C ATOM 1083 OG SER A 72 -11.670 2.754 12.677 1.00 0.00 O ATOM 0 H SER A 72 -11.861 3.664 9.734 1.00 0.00 H new ATOM 0 HA SER A 72 -9.895 4.390 11.766 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.246 1.807 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.937 1.828 12.066 1.00 0.00 H new ATOM 0 HG SER A 72 -12.019 1.932 13.081 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.114 3.251 8.859 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.010 2.922 7.964 1.00 0.00 C ATOM 1091 C ASP A 73 -7.078 4.117 7.789 1.00 0.00 C ATOM 1092 O ASP A 73 -5.939 3.970 7.345 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.545 2.472 6.604 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.308 1.165 6.685 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.896 0.886 7.752 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.318 0.420 5.683 1.00 0.00 O ATOM 0 H ASP A 73 -10.005 3.413 8.389 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.443 2.105 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.198 3.246 6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.713 2.361 5.908 1.00 0.00 H new ATOM 1101 N THR A 74 -7.571 5.301 8.138 1.00 0.00 N ATOM 1102 CA THR A 74 -6.784 6.522 8.017 1.00 0.00 C ATOM 1103 C THR A 74 -5.476 6.413 8.793 1.00 0.00 C ATOM 1104 O THR A 74 -5.470 6.065 9.973 1.00 0.00 O ATOM 1105 CB THR A 74 -7.567 7.748 8.524 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.753 7.930 7.742 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.711 9.003 8.456 1.00 0.00 C ATOM 0 H THR A 74 -8.512 5.440 8.507 1.00 0.00 H new ATOM 0 HA THR A 74 -6.565 6.652 6.957 1.00 0.00 H new ATOM 0 HB THR A 74 -7.842 7.571 9.564 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.246 8.710 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.285 9.855 8.819 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.824 8.873 9.076 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.409 9.182 7.424 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.368 6.713 8.122 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.069 6.642 8.765 1.00 0.00 C ATOM 1117 C GLY A 75 -1.927 6.665 7.769 1.00 0.00 C ATOM 1118 O GLY A 75 -1.997 7.350 6.748 1.00 0.00 O ATOM 0 H GLY A 75 -4.347 7.004 7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.962 7.479 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.011 5.730 9.359 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.871 5.915 8.065 1.00 0.00 N ATOM 1123 CA VAL A 76 0.292 5.852 7.188 1.00 0.00 C ATOM 1124 C VAL A 76 0.688 4.407 6.902 1.00 0.00 C ATOM 1125 O VAL A 76 0.800 3.591 7.817 1.00 0.00 O ATOM 1126 CB VAL A 76 1.497 6.591 7.800 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.725 6.436 6.914 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.168 8.060 8.015 1.00 0.00 C ATOM 0 H VAL A 76 -0.797 5.342 8.906 1.00 0.00 H new ATOM 0 HA VAL A 76 0.011 6.340 6.255 1.00 0.00 H new ATOM 0 HB VAL A 76 1.719 6.146 8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.566 6.965 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.972 5.379 6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.518 6.853 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.031 8.566 8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.919 8.521 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.318 8.147 8.692 1.00 0.00 H new ATOM 1138 N TYR A 77 0.898 4.098 5.628 1.00 0.00 N ATOM 1139 CA TYR A 77 1.279 2.751 5.221 1.00 0.00 C ATOM 1140 C TYR A 77 2.731 2.713 4.753 1.00 0.00 C ATOM 1141 O TYR A 77 3.185 3.598 4.026 1.00 0.00 O ATOM 1142 CB TYR A 77 0.359 2.253 4.105 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.089 2.129 4.524 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.896 3.253 4.647 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.649 0.887 4.797 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.219 3.144 5.030 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -2.971 0.768 5.180 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.752 1.900 5.295 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.069 1.787 5.676 1.00 0.00 O ATOM 0 H TYR A 77 0.811 4.762 4.859 1.00 0.00 H new ATOM 0 HA TYR A 77 1.178 2.096 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.426 2.936 3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.713 1.282 3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.482 4.229 4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.040 -0.001 4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.832 4.028 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.391 -0.205 5.388 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.313 2.550 6.240 1.00 0.00 H new ATOM 1159 N THR A 78 3.455 1.681 5.174 1.00 0.00 N ATOM 1160 CA THR A 78 4.855 1.527 4.800 1.00 0.00 C ATOM 1161 C THR A 78 5.076 0.236 4.020 1.00 0.00 C ATOM 1162 O THR A 78 4.951 -0.860 4.567 1.00 0.00 O ATOM 1163 CB THR A 78 5.771 1.528 6.038 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.516 2.690 6.835 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.236 1.499 5.628 1.00 0.00 C ATOM 0 H THR A 78 3.095 0.939 5.774 1.00 0.00 H new ATOM 0 HA THR A 78 5.109 2.379 4.169 1.00 0.00 H new ATOM 0 HB THR A 78 5.556 0.633 6.622 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.101 2.682 7.621 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.863 1.500 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.433 0.598 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.462 2.378 5.024 1.00 0.00 H new ATOM 1173 N CYS A 79 5.406 0.373 2.740 1.00 0.00 N ATOM 1174 CA CYS A 79 5.644 -0.784 1.884 1.00 0.00 C ATOM 1175 C CYS A 79 7.085 -1.268 2.013 1.00 0.00 C ATOM 1176 O CYS A 79 8.022 -0.471 1.988 1.00 0.00 O ATOM 1177 CB CYS A 79 5.339 -0.437 0.426 1.00 0.00 C ATOM 1178 SG CYS A 79 5.496 -1.832 -0.713 1.00 0.00 S ATOM 0 H CYS A 79 5.515 1.273 2.273 1.00 0.00 H new ATOM 0 HA CYS A 79 4.980 -1.586 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.325 -0.042 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.012 0.358 0.105 1.00 0.00 H new ATOM 0 HG CYS A 79 5.475 -1.397 -1.938 1.00 0.00 H new ATOM 1184 N MET A 80 7.253 -2.578 2.153 1.00 0.00 N ATOM 1185 CA MET A 80 8.580 -3.168 2.286 1.00 0.00 C ATOM 1186 C MET A 80 8.953 -3.957 1.035 1.00 0.00 C ATOM 1187 O MET A 80 8.087 -4.508 0.355 1.00 0.00 O ATOM 1188 CB MET A 80 8.635 -4.081 3.514 1.00 0.00 C ATOM 1189 CG MET A 80 8.016 -3.463 4.757 1.00 0.00 C ATOM 1190 SD MET A 80 8.469 -4.341 6.266 1.00 0.00 S ATOM 1191 CE MET A 80 6.932 -4.255 7.182 1.00 0.00 C ATOM 0 H MET A 80 6.487 -3.252 2.177 1.00 0.00 H new ATOM 0 HA MET A 80 9.299 -2.358 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.119 -5.014 3.287 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.675 -4.334 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.332 -2.423 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.931 -3.459 4.655 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.835 -5.138 7.813 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.930 -3.361 7.806 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.095 -4.213 6.485 1.00 0.00 H new ATOM 1201 N VAL A 81 10.247 -4.007 0.736 1.00 0.00 N ATOM 1202 CA VAL A 81 10.735 -4.729 -0.433 1.00 0.00 C ATOM 1203 C VAL A 81 12.001 -5.513 -0.106 1.00 0.00 C ATOM 1204 O VAL A 81 13.046 -4.931 0.190 1.00 0.00 O ATOM 1205 CB VAL A 81 11.024 -3.771 -1.603 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.604 -4.532 -2.786 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.761 -3.026 -2.007 1.00 0.00 C ATOM 0 H VAL A 81 10.977 -3.556 1.288 1.00 0.00 H new ATOM 0 HA VAL A 81 9.948 -5.423 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 81 11.762 -3.038 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.802 -3.838 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.534 -5.015 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.892 -5.288 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.984 -2.354 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.999 -3.742 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.393 -2.448 -1.159 1.00 0.00 H new ATOM 1217 N THR A 82 11.902 -6.837 -0.164 1.00 0.00 N ATOM 1218 CA THR A 82 13.039 -7.702 0.126 1.00 0.00 C ATOM 1219 C THR A 82 13.581 -8.343 -1.146 1.00 0.00 C ATOM 1220 O THR A 82 12.849 -9.006 -1.879 1.00 0.00 O ATOM 1221 CB THR A 82 12.661 -8.811 1.125 1.00 0.00 C ATOM 1222 OG1 THR A 82 11.988 -8.244 2.255 1.00 0.00 O ATOM 1223 CG2 THR A 82 13.898 -9.565 1.591 1.00 0.00 C ATOM 0 H THR A 82 11.046 -7.334 -0.409 1.00 0.00 H new ATOM 0 HA THR A 82 13.810 -7.072 0.569 1.00 0.00 H new ATOM 0 HB THR A 82 11.996 -9.512 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.749 -8.956 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.606 -10.343 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.392 -10.020 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.584 -8.873 2.079 1.00 0.00 H new ATOM 1231 N ASN A 83 14.870 -8.140 -1.403 1.00 0.00 N ATOM 1232 CA ASN A 83 15.510 -8.699 -2.588 1.00 0.00 C ATOM 1233 C ASN A 83 16.913 -9.201 -2.262 1.00 0.00 C ATOM 1234 O ASN A 83 17.645 -8.577 -1.494 1.00 0.00 O ATOM 1235 CB ASN A 83 15.576 -7.650 -3.700 1.00 0.00 C ATOM 1236 CG ASN A 83 16.028 -8.238 -5.023 1.00 0.00 C ATOM 1237 OD1 ASN A 83 17.221 -8.265 -5.328 1.00 0.00 O ATOM 1238 ND2 ASN A 83 15.075 -8.713 -5.816 1.00 0.00 N ATOM 0 H ASN A 83 15.491 -7.593 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 83 14.912 -9.544 -2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.594 -7.194 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.261 -6.855 -3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.319 -9.121 -6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.099 -8.670 -5.523 1.00 0.00 H new ATOM 1245 N VAL A 84 17.283 -10.332 -2.854 1.00 0.00 N ATOM 1246 CA VAL A 84 18.600 -10.918 -2.628 1.00 0.00 C ATOM 1247 C VAL A 84 19.707 -9.932 -2.982 1.00 0.00 C ATOM 1248 O VAL A 84 20.857 -10.104 -2.580 1.00 0.00 O ATOM 1249 CB VAL A 84 18.790 -12.205 -3.453 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.465 -11.954 -4.917 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.208 -12.733 -3.296 1.00 0.00 C ATOM 0 H VAL A 84 16.690 -10.861 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 84 18.661 -11.163 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 84 18.101 -12.962 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.605 -12.874 -5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.430 -11.625 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.127 -11.182 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.325 -13.642 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.917 -11.981 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.400 -12.954 -2.246 1.00 0.00 H new ATOM 1261 N ALA A 85 19.352 -8.898 -3.738 1.00 0.00 N ATOM 1262 CA ALA A 85 20.316 -7.882 -4.144 1.00 0.00 C ATOM 1263 C ALA A 85 20.339 -6.721 -3.156 1.00 0.00 C ATOM 1264 O ALA A 85 21.399 -6.181 -2.842 1.00 0.00 O ATOM 1265 CB ALA A 85 19.994 -7.380 -5.544 1.00 0.00 C ATOM 0 H ALA A 85 18.404 -8.742 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 85 21.306 -8.338 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.721 -6.622 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.036 -8.212 -6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.994 -6.946 -5.554 1.00 0.00 H new ATOM 1271 N GLY A 86 19.162 -6.340 -2.669 1.00 0.00 N ATOM 1272 CA GLY A 86 19.070 -5.245 -1.722 1.00 0.00 C ATOM 1273 C GLY A 86 17.693 -5.130 -1.098 1.00 0.00 C ATOM 1274 O GLY A 86 16.775 -5.859 -1.469 1.00 0.00 O ATOM 0 H GLY A 86 18.270 -6.771 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.811 -5.386 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.316 -4.311 -2.227 1.00 0.00 H new ATOM 1278 N ASN A 87 17.550 -4.213 -0.147 1.00 0.00 N ATOM 1279 CA ASN A 87 16.275 -4.008 0.531 1.00 0.00 C ATOM 1280 C ASN A 87 15.843 -2.547 0.445 1.00 0.00 C ATOM 1281 O ASN A 87 16.677 -1.642 0.434 1.00 0.00 O ATOM 1282 CB ASN A 87 16.379 -4.436 1.997 1.00 0.00 C ATOM 1283 CG ASN A 87 17.543 -3.776 2.711 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.601 -2.552 2.826 1.00 0.00 O ATOM 1285 ND2 ASN A 87 18.476 -4.587 3.194 1.00 0.00 N ATOM 0 H ASN A 87 18.301 -3.600 0.172 1.00 0.00 H new ATOM 0 HA ASN A 87 15.523 -4.621 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.452 -4.186 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.491 -5.519 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.283 -4.201 3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.386 -5.596 3.075 1.00 0.00 H new ATOM 1292 N SER A 88 14.534 -2.326 0.385 1.00 0.00 N ATOM 1293 CA SER A 88 13.990 -0.976 0.297 1.00 0.00 C ATOM 1294 C SER A 88 12.542 -0.942 0.776 1.00 0.00 C ATOM 1295 O SER A 88 11.885 -1.977 0.876 1.00 0.00 O ATOM 1296 CB SER A 88 14.076 -0.462 -1.141 1.00 0.00 C ATOM 1297 OG SER A 88 15.410 -0.497 -1.616 1.00 0.00 O ATOM 0 H SER A 88 13.830 -3.064 0.396 1.00 0.00 H new ATOM 0 HA SER A 88 14.583 -0.328 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.441 -1.069 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.696 0.559 -1.189 1.00 0.00 H new ATOM 0 HG SER A 88 16.025 -0.579 -0.858 1.00 0.00 H new ATOM 1303 N ASN A 89 12.051 0.258 1.071 1.00 0.00 N ATOM 1304 CA ASN A 89 10.680 0.429 1.540 1.00 0.00 C ATOM 1305 C ASN A 89 10.175 1.837 1.242 1.00 0.00 C ATOM 1306 O ASN A 89 10.963 2.762 1.045 1.00 0.00 O ATOM 1307 CB ASN A 89 10.595 0.152 3.042 1.00 0.00 C ATOM 1308 CG ASN A 89 11.700 0.839 3.820 1.00 0.00 C ATOM 1309 OD1 ASN A 89 11.933 2.038 3.662 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.388 0.081 4.666 1.00 0.00 N ATOM 0 H ASN A 89 12.582 1.126 0.994 1.00 0.00 H new ATOM 0 HA ASN A 89 10.049 -0.284 1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.628 0.488 3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.648 -0.923 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.144 0.488 5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.161 -0.908 4.765 1.00 0.00 H new ATOM 1317 N ALA A 90 8.856 1.992 1.211 1.00 0.00 N ATOM 1318 CA ALA A 90 8.245 3.288 0.939 1.00 0.00 C ATOM 1319 C ALA A 90 7.174 3.617 1.974 1.00 0.00 C ATOM 1320 O ALA A 90 6.824 2.781 2.807 1.00 0.00 O ATOM 1321 CB ALA A 90 7.652 3.309 -0.462 1.00 0.00 C ATOM 0 H ALA A 90 8.189 1.237 1.371 1.00 0.00 H new ATOM 0 HA ALA A 90 9.022 4.049 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.199 4.282 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.440 3.127 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.892 2.533 -0.547 1.00 0.00 H new ATOM 1327 N SER A 91 6.658 4.841 1.916 1.00 0.00 N ATOM 1328 CA SER A 91 5.630 5.282 2.851 1.00 0.00 C ATOM 1329 C SER A 91 4.567 6.113 2.138 1.00 0.00 C ATOM 1330 O SER A 91 4.764 6.551 1.004 1.00 0.00 O ATOM 1331 CB SER A 91 6.256 6.098 3.983 1.00 0.00 C ATOM 1332 OG SER A 91 7.110 5.294 4.779 1.00 0.00 O ATOM 0 H SER A 91 6.935 5.544 1.231 1.00 0.00 H new ATOM 0 HA SER A 91 5.153 4.397 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.821 6.931 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.470 6.526 4.605 1.00 0.00 H new ATOM 0 HG SER A 91 7.499 5.839 5.495 1.00 0.00 H new ATOM 1338 N ALA A 92 3.441 6.326 2.811 1.00 0.00 N ATOM 1339 CA ALA A 92 2.348 7.106 2.244 1.00 0.00 C ATOM 1340 C ALA A 92 1.247 7.338 3.273 1.00 0.00 C ATOM 1341 O ALA A 92 1.188 6.656 4.297 1.00 0.00 O ATOM 1342 CB ALA A 92 1.785 6.408 1.014 1.00 0.00 C ATOM 0 H ALA A 92 3.262 5.969 3.750 1.00 0.00 H new ATOM 0 HA ALA A 92 2.743 8.078 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.969 7.001 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.570 6.299 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.412 5.423 1.294 1.00 0.00 H new ATOM 1348 N TYR A 93 0.378 8.303 2.996 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.719 8.627 3.900 1.00 0.00 C ATOM 1350 C TYR A 93 -2.065 8.481 3.197 1.00 0.00 C ATOM 1351 O TYR A 93 -2.225 8.889 2.046 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.562 10.050 4.436 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.504 10.376 5.574 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.805 10.794 5.326 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.092 10.265 6.896 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.669 11.093 6.362 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.949 10.561 7.938 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.236 10.975 7.666 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.093 11.271 8.701 1.00 0.00 O ATOM 0 H TYR A 93 0.412 8.875 2.152 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.688 7.927 4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.465 10.191 4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.730 10.756 3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.147 10.887 4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.085 9.942 7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.678 11.417 6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.613 10.469 8.960 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.633 11.135 9.556 1.00 0.00 H new ATOM 1369 N LEU A 94 -3.031 7.898 3.897 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.365 7.698 3.343 1.00 0.00 C ATOM 1371 C LEU A 94 -5.418 8.407 4.189 1.00 0.00 C ATOM 1372 O LEU A 94 -5.602 8.090 5.363 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.685 6.205 3.256 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.139 5.847 2.947 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.415 5.972 1.456 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.457 4.440 3.433 1.00 0.00 C ATOM 0 H LEU A 94 -2.915 7.555 4.851 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.382 8.126 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.052 5.762 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.410 5.739 4.202 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.785 6.548 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.455 5.713 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.228 6.997 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.760 5.295 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.496 4.202 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.803 3.726 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.300 4.383 4.510 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.109 9.367 3.582 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.146 10.119 4.280 1.00 0.00 C ATOM 1390 C ASN A 95 -8.528 9.548 3.979 1.00 0.00 C ATOM 1391 O ASN A 95 -8.864 9.282 2.825 1.00 0.00 O ATOM 1392 CB ASN A 95 -7.092 11.595 3.877 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.170 12.418 4.555 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.903 11.920 5.410 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.272 13.687 4.175 1.00 0.00 N ATOM 0 H ASN A 95 -5.970 9.642 2.610 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.964 10.034 5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.114 12.003 4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.201 11.678 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.979 14.290 4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.643 14.058 3.463 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.327 9.363 5.025 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.673 8.826 4.874 1.00 0.00 C ATOM 1404 C VAL A 96 -11.707 9.744 5.516 1.00 0.00 C ATOM 1405 O VAL A 96 -11.754 9.884 6.738 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.791 7.423 5.498 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.183 6.852 5.272 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.727 6.496 4.930 1.00 0.00 C ATOM 0 H VAL A 96 -9.064 9.578 5.987 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.867 8.757 3.804 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.630 7.508 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.247 5.860 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.924 7.506 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.377 6.780 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.825 5.509 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.854 6.415 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.738 6.899 5.150 1.00 0.00 H new ATOM 1418 N SER A 97 -12.535 10.368 4.684 1.00 0.00 N ATOM 1419 CA SER A 97 -13.567 11.276 5.170 1.00 0.00 C ATOM 1420 C SER A 97 -14.930 10.591 5.185 1.00 0.00 C ATOM 1421 O SER A 97 -15.379 10.056 4.172 1.00 0.00 O ATOM 1422 CB SER A 97 -13.624 12.531 4.297 1.00 0.00 C ATOM 1423 OG SER A 97 -14.170 13.626 5.012 1.00 0.00 O ATOM 0 H SER A 97 -12.511 10.261 3.670 1.00 0.00 H new ATOM 0 HA SER A 97 -13.313 11.563 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.622 12.783 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.227 12.334 3.411 1.00 0.00 H new ATOM 0 HG SER A 97 -14.194 14.416 4.432 1.00 0.00 H new ATOM 1429 N SER A 98 -15.583 10.613 6.343 1.00 0.00 N ATOM 1430 CA SER A 98 -16.893 9.991 6.493 1.00 0.00 C ATOM 1431 C SER A 98 -17.805 10.358 5.326 1.00 0.00 C ATOM 1432 O SER A 98 -17.709 11.449 4.767 1.00 0.00 O ATOM 1433 CB SER A 98 -17.537 10.421 7.812 1.00 0.00 C ATOM 1434 OG SER A 98 -18.594 9.548 8.173 1.00 0.00 O ATOM 0 H SER A 98 -15.226 11.055 7.190 1.00 0.00 H new ATOM 0 HA SER A 98 -16.756 8.910 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.785 10.432 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.917 11.438 7.720 1.00 0.00 H new ATOM 0 HG SER A 98 -18.442 8.667 7.772 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.692 9.435 4.963 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.609 9.678 3.865 1.00 0.00 C ATOM 1442 C GLY A 99 -21.045 9.814 4.328 1.00 0.00 C ATOM 1443 O GLY A 99 -21.418 9.355 5.408 1.00 0.00 O ATOM 0 H GLY A 99 -18.791 8.524 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.312 10.587 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.538 8.860 3.148 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.880 10.459 3.500 1.00 0.00 N ATOM 1448 CA PRO A 100 -23.297 10.669 3.810 1.00 0.00 C ATOM 1449 C PRO A 100 -24.099 9.373 3.767 1.00 0.00 C ATOM 1450 O PRO A 100 -23.586 8.327 3.369 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.764 11.624 2.708 1.00 0.00 C ATOM 1452 CG PRO A 100 -22.829 11.378 1.574 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.505 11.032 2.196 1.00 0.00 C ATOM 0 HA PRO A 100 -23.440 11.057 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.796 11.423 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.721 12.662 3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -23.187 10.565 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.744 12.261 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.950 10.318 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.873 11.912 2.311 1.00 0.00 H new ATOM 1461 N SER A 101 -25.361 9.449 4.178 1.00 0.00 N ATOM 1462 CA SER A 101 -26.233 8.280 4.189 1.00 0.00 C ATOM 1463 C SER A 101 -27.234 8.338 3.039 1.00 0.00 C ATOM 1464 O SER A 101 -27.528 9.411 2.512 1.00 0.00 O ATOM 1465 CB SER A 101 -26.976 8.185 5.523 1.00 0.00 C ATOM 1466 OG SER A 101 -27.919 9.234 5.657 1.00 0.00 O ATOM 0 H SER A 101 -25.802 10.308 4.508 1.00 0.00 H new ATOM 0 HA SER A 101 -25.612 7.393 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 101 -27.485 7.223 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 101 -26.261 8.227 6.345 1.00 0.00 H new ATOM 0 HG SER A 101 -28.382 9.150 6.517 1.00 0.00 H new ATOM 1472 N SER A 102 -27.753 7.176 2.656 1.00 0.00 N ATOM 1473 CA SER A 102 -28.719 7.093 1.566 1.00 0.00 C ATOM 1474 C SER A 102 -30.147 7.124 2.102 1.00 0.00 C ATOM 1475 O SER A 102 -30.404 6.733 3.240 1.00 0.00 O ATOM 1476 CB SER A 102 -28.494 5.816 0.754 1.00 0.00 C ATOM 1477 OG SER A 102 -27.458 5.992 -0.197 1.00 0.00 O ATOM 0 H SER A 102 -27.521 6.279 3.084 1.00 0.00 H new ATOM 0 HA SER A 102 -28.574 7.957 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 102 -28.241 4.995 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 102 -29.417 5.538 0.244 1.00 0.00 H new ATOM 0 HG SER A 102 -27.333 5.161 -0.702 1.00 0.00 H new ATOM 1483 N GLY A 103 -31.074 7.592 1.272 1.00 0.00 N ATOM 1484 CA GLY A 103 -32.465 7.666 1.679 1.00 0.00 C ATOM 1485 C GLY A 103 -33.281 6.495 1.169 1.00 0.00 C ATOM 1486 O GLY A 103 -34.295 6.130 1.765 1.00 0.00 O ATOM 0 H GLY A 103 -30.887 7.921 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -32.521 7.697 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -32.899 8.595 1.311 1.00 0.00 H new TER 1490 GLY A 103