USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 860 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 73 THR OG1 : rot 153:sc= 1.11 USER MOD Set 1.2: A 74 ASN : amide:sc= -7.38! C(o=-6.3!,f=-8.8!) USER MOD Set 2.1: A 22 MET CE :methyl -148:sc= -5.63! (180deg=-8.03!) USER MOD Set 2.2: A 77 TYR OH : rot -30:sc= -1.79! USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -0.72 (180deg=-1.14) USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= -0.859 (180deg=-3.56!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= -0.65 (180deg=-3.8!) USER MOD Single : A 33 TYR OH : rot -123:sc= 0.629 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.35 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 40 CYS SG : rot -80:sc= -0.0386 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0.0057 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -2.62 F(o=-6.7!,f=-2.6) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.676 USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.42 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 97:sc= -0.263 USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.0535 (180deg=-0.353) USER MOD Single : A 57 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -163:sc= -0.76 (180deg=-1.41) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.0309 X(o=0.031,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.971 K(o=-0.97,f=-2.9) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -46:sc= 1.29 USER MOD Single : A 86 TYR OH : rot -160:sc= -0.316 USER MOD Single : A 90 SER OG : rot -140:sc= -2.96! USER MOD Single : A 93 LYS NZ :NH3+ -121:sc= 2.3 (180deg=-3.84!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot -99:sc= 0.0735 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HD1:sc= -10.3! C(o=-10!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.794 4.325 -12.916 1.00 0.00 N ATOM 67 CA PRO A 8 7.821 2.902 -12.565 1.00 0.00 C ATOM 68 C PRO A 8 6.558 2.461 -11.833 1.00 0.00 C ATOM 69 O PRO A 8 5.981 1.419 -12.142 1.00 0.00 O ATOM 70 CB PRO A 8 9.040 2.785 -11.647 1.00 0.00 C ATOM 71 CG PRO A 8 9.206 4.146 -11.064 1.00 0.00 C ATOM 72 CD PRO A 8 8.759 5.110 -12.128 1.00 0.00 C ATOM 0 HA PRO A 8 7.874 2.266 -13.449 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.880 2.038 -10.870 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.927 2.481 -12.203 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.608 4.259 -10.159 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.244 4.327 -10.785 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.297 5.998 -11.697 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.595 5.450 -12.739 1.00 0.00 H new ATOM 80 N VAL A 9 6.134 3.262 -10.861 1.00 0.00 N ATOM 81 CA VAL A 9 4.938 2.955 -10.085 1.00 0.00 C ATOM 82 C VAL A 9 3.688 3.017 -10.955 1.00 0.00 C ATOM 83 O VAL A 9 3.350 4.066 -11.503 1.00 0.00 O ATOM 84 CB VAL A 9 4.774 3.926 -8.900 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.562 3.546 -8.063 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.035 3.945 -8.049 1.00 0.00 C ATOM 0 H VAL A 9 6.601 4.128 -10.592 1.00 0.00 H new ATOM 0 HA VAL A 9 5.060 1.942 -9.701 1.00 0.00 H new ATOM 0 HB VAL A 9 4.614 4.930 -9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.462 4.243 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.665 3.588 -8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.689 2.535 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.902 4.636 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.228 2.944 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.880 4.268 -8.657 1.00 0.00 H new ATOM 96 N LYS A 10 3.003 1.885 -11.078 1.00 0.00 N ATOM 97 CA LYS A 10 1.788 1.808 -11.880 1.00 0.00 C ATOM 98 C LYS A 10 0.624 2.494 -11.171 1.00 0.00 C ATOM 99 O LYS A 10 0.488 2.405 -9.951 1.00 0.00 O ATOM 100 CB LYS A 10 1.434 0.347 -12.168 1.00 0.00 C ATOM 101 CG LYS A 10 -0.010 0.144 -12.593 1.00 0.00 C ATOM 102 CD LYS A 10 -0.163 -1.077 -13.484 1.00 0.00 C ATOM 103 CE LYS A 10 0.001 -0.719 -14.953 1.00 0.00 C ATOM 104 NZ LYS A 10 1.400 -0.323 -15.275 1.00 0.00 N ATOM 0 H LYS A 10 3.269 1.007 -10.632 1.00 0.00 H new ATOM 0 HA LYS A 10 1.971 2.324 -12.823 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.091 -0.030 -12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.629 -0.248 -11.276 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.638 0.031 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.362 1.029 -13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.578 -1.827 -13.206 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.144 -1.524 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.286 -1.572 -15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.675 0.098 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.530 -0.317 -16.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.588 0.627 -14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.060 -1.003 -14.847 1.00 0.00 H new ATOM 118 N VAL A 11 -0.213 3.178 -11.944 1.00 0.00 N ATOM 119 CA VAL A 11 -1.367 3.877 -11.391 1.00 0.00 C ATOM 120 C VAL A 11 -2.652 3.091 -11.630 1.00 0.00 C ATOM 121 O VAL A 11 -2.898 2.604 -12.733 1.00 0.00 O ATOM 122 CB VAL A 11 -1.517 5.283 -12.001 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.154 5.869 -12.335 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.403 5.235 -13.237 1.00 0.00 C ATOM 0 H VAL A 11 -0.114 3.263 -12.956 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.196 3.971 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.993 5.930 -11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.281 6.863 -12.765 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.444 5.940 -11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.353 5.225 -13.053 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.498 6.237 -13.655 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.957 4.573 -13.979 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.389 4.861 -12.963 1.00 0.00 H new ATOM 134 N VAL A 12 -3.469 2.973 -10.588 1.00 0.00 N ATOM 135 CA VAL A 12 -4.730 2.248 -10.684 1.00 0.00 C ATOM 136 C VAL A 12 -5.908 3.144 -10.318 1.00 0.00 C ATOM 137 O VAL A 12 -5.815 3.971 -9.412 1.00 0.00 O ATOM 138 CB VAL A 12 -4.737 1.009 -9.768 1.00 0.00 C ATOM 139 CG1 VAL A 12 -6.029 0.225 -9.940 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.528 0.131 -10.051 1.00 0.00 C ATOM 0 H VAL A 12 -3.280 3.370 -9.668 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.831 1.925 -11.720 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.679 1.344 -8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.016 -0.646 -9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.877 0.860 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.122 -0.101 -10.976 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.549 -0.739 -9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.552 -0.197 -11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.615 0.699 -9.871 1.00 0.00 H new ATOM 150 N VAL A 13 -7.018 2.973 -11.030 1.00 0.00 N ATOM 151 CA VAL A 13 -8.216 3.765 -10.779 1.00 0.00 C ATOM 152 C VAL A 13 -9.352 2.892 -10.257 1.00 0.00 C ATOM 153 O VAL A 13 -9.197 1.682 -10.097 1.00 0.00 O ATOM 154 CB VAL A 13 -8.685 4.491 -12.054 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.702 5.586 -12.437 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.866 3.501 -13.195 1.00 0.00 C ATOM 0 H VAL A 13 -7.112 2.293 -11.785 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.954 4.506 -10.023 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.650 4.957 -11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.050 6.088 -13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.629 6.310 -11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.722 5.147 -12.621 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.198 4.031 -14.088 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.918 3.004 -13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.613 2.757 -12.916 1.00 0.00 H new ATOM 166 N GLY A 14 -10.496 3.516 -9.993 1.00 0.00 N ATOM 167 CA GLY A 14 -11.643 2.781 -9.491 1.00 0.00 C ATOM 168 C GLY A 14 -12.257 1.877 -10.542 1.00 0.00 C ATOM 169 O GLY A 14 -13.209 1.148 -10.265 1.00 0.00 O ATOM 0 H GLY A 14 -10.649 4.517 -10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.339 2.181 -8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.396 3.485 -9.137 1.00 0.00 H new ATOM 173 N LYS A 15 -11.712 1.925 -11.753 1.00 0.00 N ATOM 174 CA LYS A 15 -12.211 1.104 -12.850 1.00 0.00 C ATOM 175 C LYS A 15 -11.370 -0.158 -13.013 1.00 0.00 C ATOM 176 O LYS A 15 -11.839 -1.166 -13.541 1.00 0.00 O ATOM 177 CB LYS A 15 -12.207 1.904 -14.155 1.00 0.00 C ATOM 178 CG LYS A 15 -10.939 1.729 -14.972 1.00 0.00 C ATOM 179 CD LYS A 15 -10.800 2.815 -16.025 1.00 0.00 C ATOM 180 CE LYS A 15 -9.410 2.816 -16.645 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.097 1.519 -17.306 1.00 0.00 N ATOM 0 H LYS A 15 -10.924 2.524 -12.000 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.233 0.809 -12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.063 1.602 -14.759 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.337 2.961 -13.924 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.073 1.750 -14.310 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.948 0.752 -15.455 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.547 2.665 -16.804 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.999 3.787 -15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.338 3.622 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.668 3.018 -15.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.148 1.204 -17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.799 0.806 -17.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.125 1.640 -18.339 1.00 0.00 H new ATOM 195 N THR A 16 -10.123 -0.096 -12.554 1.00 0.00 N ATOM 196 CA THR A 16 -9.217 -1.233 -12.648 1.00 0.00 C ATOM 197 C THR A 16 -8.616 -1.571 -11.289 1.00 0.00 C ATOM 198 O THR A 16 -7.614 -2.281 -11.202 1.00 0.00 O ATOM 199 CB THR A 16 -8.077 -0.962 -13.648 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.171 0.006 -13.107 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.629 -0.461 -14.975 1.00 0.00 C ATOM 0 H THR A 16 -9.718 0.730 -12.114 1.00 0.00 H new ATOM 0 HA THR A 16 -9.807 -2.079 -13.002 1.00 0.00 H new ATOM 0 HB THR A 16 -7.546 -1.898 -13.823 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.448 0.172 -13.748 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.806 -0.276 -15.665 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.296 -1.212 -15.398 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.181 0.465 -14.813 1.00 0.00 H new ATOM 209 N PHE A 17 -9.234 -1.059 -10.230 1.00 0.00 N ATOM 210 CA PHE A 17 -8.758 -1.307 -8.874 1.00 0.00 C ATOM 211 C PHE A 17 -9.043 -2.745 -8.452 1.00 0.00 C ATOM 212 O PHE A 17 -8.181 -3.421 -7.890 1.00 0.00 O ATOM 213 CB PHE A 17 -9.419 -0.335 -7.894 1.00 0.00 C ATOM 214 CG PHE A 17 -9.061 -0.595 -6.458 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.620 -1.661 -5.772 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.164 0.228 -5.795 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.291 -1.903 -4.452 1.00 0.00 C ATOM 218 CE2 PHE A 17 -7.832 -0.009 -4.475 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.397 -1.075 -3.802 1.00 0.00 C ATOM 0 H PHE A 17 -10.065 -0.470 -10.284 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.679 -1.150 -8.859 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.129 0.683 -8.154 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.501 -0.397 -8.007 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.321 -2.310 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.720 1.063 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.732 -2.739 -3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.131 0.639 -3.970 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.140 -1.261 -2.770 1.00 0.00 H new ATOM 229 N ASP A 18 -10.259 -3.206 -8.726 1.00 0.00 N ATOM 230 CA ASP A 18 -10.659 -4.564 -8.375 1.00 0.00 C ATOM 231 C ASP A 18 -10.012 -5.579 -9.313 1.00 0.00 C ATOM 232 O ASP A 18 -10.104 -6.787 -9.094 1.00 0.00 O ATOM 233 CB ASP A 18 -12.181 -4.699 -8.428 1.00 0.00 C ATOM 234 CG ASP A 18 -12.850 -4.213 -7.158 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.355 -4.547 -6.061 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.869 -3.498 -7.260 1.00 0.00 O ATOM 0 H ASP A 18 -10.984 -2.659 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.320 -4.767 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.564 -4.132 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.445 -5.743 -8.597 1.00 0.00 H new ATOM 241 N ALA A 19 -9.359 -5.081 -10.357 1.00 0.00 N ATOM 242 CA ALA A 19 -8.697 -5.944 -11.327 1.00 0.00 C ATOM 243 C ALA A 19 -7.206 -6.059 -11.031 1.00 0.00 C ATOM 244 O ALA A 19 -6.630 -7.145 -11.110 1.00 0.00 O ATOM 245 CB ALA A 19 -8.919 -5.420 -12.738 1.00 0.00 C ATOM 0 H ALA A 19 -9.274 -4.084 -10.553 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.134 -6.940 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.419 -6.074 -13.452 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.987 -5.397 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.510 -4.413 -12.821 1.00 0.00 H new ATOM 251 N ILE A 20 -6.586 -4.934 -10.693 1.00 0.00 N ATOM 252 CA ILE A 20 -5.161 -4.909 -10.385 1.00 0.00 C ATOM 253 C ILE A 20 -4.922 -5.011 -8.883 1.00 0.00 C ATOM 254 O ILE A 20 -4.428 -6.026 -8.389 1.00 0.00 O ATOM 255 CB ILE A 20 -4.493 -3.627 -10.914 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.541 -3.594 -12.443 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.056 -3.536 -10.422 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.284 -2.223 -13.027 1.00 0.00 C ATOM 0 H ILE A 20 -7.048 -4.027 -10.625 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.716 -5.772 -10.881 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.042 -2.766 -10.533 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.802 -4.292 -12.837 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.518 -3.944 -12.775 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.597 -2.624 -10.805 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.045 -3.518 -9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.495 -4.401 -10.776 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.334 -2.276 -14.115 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.038 -1.525 -12.663 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.295 -1.879 -12.725 1.00 0.00 H new ATOM 270 N VAL A 21 -5.276 -3.954 -8.159 1.00 0.00 N ATOM 271 CA VAL A 21 -5.102 -3.925 -6.712 1.00 0.00 C ATOM 272 C VAL A 21 -5.738 -5.146 -6.057 1.00 0.00 C ATOM 273 O VAL A 21 -5.402 -5.504 -4.929 1.00 0.00 O ATOM 274 CB VAL A 21 -5.713 -2.651 -6.099 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.455 -2.603 -4.600 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.158 -1.411 -6.784 1.00 0.00 C ATOM 0 H VAL A 21 -5.685 -3.106 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.029 -3.932 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.791 -2.673 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.894 -1.696 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.905 -3.475 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.381 -2.604 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.601 -0.520 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.076 -1.380 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.400 -1.443 -7.846 1.00 0.00 H new ATOM 286 N MET A 22 -6.659 -5.783 -6.774 1.00 0.00 N ATOM 287 CA MET A 22 -7.341 -6.966 -6.263 1.00 0.00 C ATOM 288 C MET A 22 -7.119 -8.162 -7.184 1.00 0.00 C ATOM 289 O MET A 22 -8.021 -8.973 -7.393 1.00 0.00 O ATOM 290 CB MET A 22 -8.839 -6.693 -6.116 1.00 0.00 C ATOM 291 CG MET A 22 -9.161 -5.590 -5.120 1.00 0.00 C ATOM 292 SD MET A 22 -9.338 -6.206 -3.435 1.00 0.00 S ATOM 293 CE MET A 22 -8.541 -4.896 -2.510 1.00 0.00 C ATOM 0 H MET A 22 -6.950 -5.500 -7.710 1.00 0.00 H new ATOM 0 HA MET A 22 -6.923 -7.201 -5.284 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.248 -6.423 -7.090 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.338 -7.610 -5.804 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.371 -4.839 -5.147 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.084 -5.093 -5.420 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.064 -5.315 -1.624 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.788 -4.415 -3.135 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.285 -4.159 -2.207 1.00 0.00 H new ATOM 303 N ASP A 23 -5.913 -8.264 -7.731 1.00 0.00 N ATOM 304 CA ASP A 23 -5.572 -9.362 -8.629 1.00 0.00 C ATOM 305 C ASP A 23 -5.178 -10.607 -7.840 1.00 0.00 C ATOM 306 O ASP A 23 -4.128 -10.660 -7.200 1.00 0.00 O ATOM 307 CB ASP A 23 -4.430 -8.951 -9.561 1.00 0.00 C ATOM 308 CG ASP A 23 -3.246 -8.378 -8.808 1.00 0.00 C ATOM 309 OD1 ASP A 23 -3.321 -8.286 -7.564 1.00 0.00 O ATOM 310 OD2 ASP A 23 -2.243 -8.023 -9.461 1.00 0.00 O ATOM 0 H ASP A 23 -5.155 -7.601 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.453 -9.596 -9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.106 -9.817 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.795 -8.212 -10.274 1.00 0.00 H new ATOM 315 N PRO A 24 -6.040 -11.634 -7.886 1.00 0.00 N ATOM 316 CA PRO A 24 -5.804 -12.897 -7.180 1.00 0.00 C ATOM 317 C PRO A 24 -4.663 -13.700 -7.796 1.00 0.00 C ATOM 318 O PRO A 24 -4.408 -14.838 -7.402 1.00 0.00 O ATOM 319 CB PRO A 24 -7.130 -13.644 -7.338 1.00 0.00 C ATOM 320 CG PRO A 24 -7.737 -13.081 -8.577 1.00 0.00 C ATOM 321 CD PRO A 24 -7.311 -11.640 -8.629 1.00 0.00 C ATOM 0 HA PRO A 24 -5.511 -12.736 -6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.971 -14.719 -7.428 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.777 -13.489 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.395 -13.621 -9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.823 -13.166 -8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.178 -11.297 -9.655 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.050 -10.985 -8.167 1.00 0.00 H new ATOM 329 N LYS A 25 -3.979 -13.100 -8.764 1.00 0.00 N ATOM 330 CA LYS A 25 -2.863 -13.758 -9.434 1.00 0.00 C ATOM 331 C LYS A 25 -1.534 -13.348 -8.808 1.00 0.00 C ATOM 332 O LYS A 25 -0.582 -14.129 -8.777 1.00 0.00 O ATOM 333 CB LYS A 25 -2.864 -13.417 -10.925 1.00 0.00 C ATOM 334 CG LYS A 25 -4.077 -13.946 -11.670 1.00 0.00 C ATOM 335 CD LYS A 25 -3.780 -15.275 -12.345 1.00 0.00 C ATOM 336 CE LYS A 25 -4.836 -15.619 -13.385 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.274 -16.437 -14.496 1.00 0.00 N ATOM 0 H LYS A 25 -4.178 -12.159 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.984 -14.835 -9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.821 -12.334 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.962 -13.823 -11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.908 -14.067 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.391 -13.219 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.800 -15.232 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.736 -16.064 -11.594 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.651 -16.164 -12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.261 -14.700 -13.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.024 -16.651 -15.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.513 -15.907 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.891 -17.325 -14.114 1.00 0.00 H new ATOM 351 N LYS A 26 -1.475 -12.118 -8.308 1.00 0.00 N ATOM 352 CA LYS A 26 -0.264 -11.604 -7.680 1.00 0.00 C ATOM 353 C LYS A 26 -0.597 -10.506 -6.675 1.00 0.00 C ATOM 354 O LYS A 26 -1.634 -9.851 -6.777 1.00 0.00 O ATOM 355 CB LYS A 26 0.696 -11.064 -8.742 1.00 0.00 C ATOM 356 CG LYS A 26 0.156 -9.861 -9.496 1.00 0.00 C ATOM 357 CD LYS A 26 1.277 -8.955 -9.976 1.00 0.00 C ATOM 358 CE LYS A 26 1.906 -9.477 -11.258 1.00 0.00 C ATOM 359 NZ LYS A 26 3.337 -9.082 -11.374 1.00 0.00 N ATOM 0 H LYS A 26 -2.253 -11.458 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 26 0.217 -12.425 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.636 -10.790 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.920 -11.858 -9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.431 -10.199 -10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.517 -9.298 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.888 -7.951 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.040 -8.876 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.826 -10.564 -11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.353 -9.095 -12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.892 -9.887 -11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.424 -8.283 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.696 -8.800 -10.440 1.00 0.00 H new ATOM 373 N ASP A 27 0.290 -10.308 -5.706 1.00 0.00 N ATOM 374 CA ASP A 27 0.092 -9.287 -4.684 1.00 0.00 C ATOM 375 C ASP A 27 0.419 -7.901 -5.230 1.00 0.00 C ATOM 376 O ASP A 27 1.460 -7.698 -5.855 1.00 0.00 O ATOM 377 CB ASP A 27 0.960 -9.585 -3.460 1.00 0.00 C ATOM 378 CG ASP A 27 1.210 -11.068 -3.275 1.00 0.00 C ATOM 379 OD1 ASP A 27 1.707 -11.710 -4.225 1.00 0.00 O ATOM 380 OD2 ASP A 27 0.910 -11.588 -2.180 1.00 0.00 O ATOM 0 H ASP A 27 1.154 -10.842 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.957 -9.303 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.915 -9.068 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.475 -9.187 -2.569 1.00 0.00 H new ATOM 385 N VAL A 28 -0.477 -6.949 -4.991 1.00 0.00 N ATOM 386 CA VAL A 28 -0.284 -5.582 -5.459 1.00 0.00 C ATOM 387 C VAL A 28 -0.342 -4.592 -4.301 1.00 0.00 C ATOM 388 O VAL A 28 -1.342 -4.512 -3.587 1.00 0.00 O ATOM 389 CB VAL A 28 -1.344 -5.192 -6.506 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.179 -3.737 -6.917 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.259 -6.110 -7.717 1.00 0.00 C ATOM 0 H VAL A 28 -1.344 -7.100 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 28 0.703 -5.542 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.331 -5.308 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.937 -3.480 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.294 -3.097 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.188 -3.590 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.015 -5.820 -8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.270 -6.028 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.431 -7.140 -7.405 1.00 0.00 H new ATOM 401 N LEU A 29 0.737 -3.838 -4.121 1.00 0.00 N ATOM 402 CA LEU A 29 0.810 -2.851 -3.049 1.00 0.00 C ATOM 403 C LEU A 29 0.185 -1.529 -3.483 1.00 0.00 C ATOM 404 O LEU A 29 0.777 -0.775 -4.255 1.00 0.00 O ATOM 405 CB LEU A 29 2.265 -2.627 -2.633 1.00 0.00 C ATOM 406 CG LEU A 29 2.498 -1.592 -1.533 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.389 -2.238 -0.160 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.855 -0.925 -1.705 1.00 0.00 C ATOM 0 H LEU A 29 1.573 -3.891 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 29 0.250 -3.235 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.677 -3.580 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.831 -2.325 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 29 1.727 -0.826 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.558 -1.486 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.394 -2.666 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.137 -3.026 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.003 -0.191 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.640 -1.679 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.895 -0.426 -2.673 1.00 0.00 H new ATOM 420 N ILE A 30 -1.014 -1.254 -2.979 1.00 0.00 N ATOM 421 CA ILE A 30 -1.717 -0.022 -3.312 1.00 0.00 C ATOM 422 C ILE A 30 -1.447 1.063 -2.275 1.00 0.00 C ATOM 423 O ILE A 30 -1.622 0.846 -1.076 1.00 0.00 O ATOM 424 CB ILE A 30 -3.237 -0.251 -3.414 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.924 0.986 -3.995 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.814 -0.591 -2.048 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.396 1.387 -5.355 1.00 0.00 C ATOM 0 H ILE A 30 -1.518 -1.868 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.340 0.303 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.418 -1.092 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.994 0.795 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.798 1.820 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.889 -0.750 -2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.343 -1.498 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.624 0.231 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.928 2.271 -5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.332 1.610 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.547 0.569 -6.060 1.00 0.00 H new ATOM 439 N GLU A 31 -1.021 2.231 -2.745 1.00 0.00 N ATOM 440 CA GLU A 31 -0.728 3.350 -1.858 1.00 0.00 C ATOM 441 C GLU A 31 -1.619 4.547 -2.178 1.00 0.00 C ATOM 442 O GLU A 31 -1.456 5.198 -3.210 1.00 0.00 O ATOM 443 CB GLU A 31 0.744 3.751 -1.975 1.00 0.00 C ATOM 444 CG GLU A 31 1.090 5.025 -1.223 1.00 0.00 C ATOM 445 CD GLU A 31 2.568 5.358 -1.288 1.00 0.00 C ATOM 446 OE1 GLU A 31 2.979 6.051 -2.243 1.00 0.00 O ATOM 447 OE2 GLU A 31 3.314 4.925 -0.385 1.00 0.00 O ATOM 0 H GLU A 31 -0.871 2.427 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.931 3.031 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.364 2.937 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.994 3.882 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.516 5.854 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.791 4.920 -0.180 1.00 0.00 H new ATOM 454 N PHE A 32 -2.563 4.830 -1.286 1.00 0.00 N ATOM 455 CA PHE A 32 -3.481 5.947 -1.473 1.00 0.00 C ATOM 456 C PHE A 32 -2.789 7.275 -1.183 1.00 0.00 C ATOM 457 O PHE A 32 -2.521 7.608 -0.029 1.00 0.00 O ATOM 458 CB PHE A 32 -4.704 5.787 -0.567 1.00 0.00 C ATOM 459 CG PHE A 32 -5.398 4.464 -0.725 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.828 4.036 -1.970 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.621 3.648 0.373 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.467 2.820 -2.119 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.258 2.431 0.231 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.683 2.016 -1.017 1.00 0.00 C ATOM 0 H PHE A 32 -2.712 4.301 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.806 5.947 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.395 5.904 0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.412 6.588 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.662 4.661 -2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.293 3.968 1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.797 2.499 -3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.424 1.804 1.095 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.183 1.065 -1.130 1.00 0.00 H new ATOM 474 N TYR A 33 -2.503 8.029 -2.239 1.00 0.00 N ATOM 475 CA TYR A 33 -1.839 9.320 -2.098 1.00 0.00 C ATOM 476 C TYR A 33 -2.819 10.465 -2.334 1.00 0.00 C ATOM 477 O TYR A 33 -3.813 10.310 -3.044 1.00 0.00 O ATOM 478 CB TYR A 33 -0.670 9.425 -3.079 1.00 0.00 C ATOM 479 CG TYR A 33 -1.100 9.553 -4.523 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.551 10.766 -5.028 1.00 0.00 C ATOM 481 CD2 TYR A 33 -1.055 8.462 -5.381 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.946 10.889 -6.346 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.446 8.575 -6.701 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.891 9.791 -7.179 1.00 0.00 C ATOM 485 OH TYR A 33 -2.283 9.907 -8.493 1.00 0.00 O ATOM 0 H TYR A 33 -2.720 7.769 -3.201 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.458 9.395 -1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.060 10.288 -2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.038 8.543 -2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.594 11.628 -4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.708 7.509 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.296 11.839 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.404 7.717 -7.355 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.994 9.259 -8.681 1.00 0.00 H new ATOM 495 N ALA A 34 -2.531 11.615 -1.734 1.00 0.00 N ATOM 496 CA ALA A 34 -3.384 12.788 -1.880 1.00 0.00 C ATOM 497 C ALA A 34 -2.629 13.937 -2.538 1.00 0.00 C ATOM 498 O ALA A 34 -1.536 14.316 -2.116 1.00 0.00 O ATOM 499 CB ALA A 34 -3.927 13.217 -0.525 1.00 0.00 C ATOM 0 H ALA A 34 -1.713 11.759 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.220 12.521 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.562 14.094 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.511 12.404 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.097 13.461 0.139 1.00 0.00 H new ATOM 505 N PRO A 35 -3.224 14.507 -3.597 1.00 0.00 N ATOM 506 CA PRO A 35 -2.624 15.622 -4.335 1.00 0.00 C ATOM 507 C PRO A 35 -2.609 16.914 -3.525 1.00 0.00 C ATOM 508 O PRO A 35 -2.158 17.954 -4.005 1.00 0.00 O ATOM 509 CB PRO A 35 -3.534 15.768 -5.557 1.00 0.00 C ATOM 510 CG PRO A 35 -4.846 15.213 -5.121 1.00 0.00 C ATOM 511 CD PRO A 35 -4.527 14.107 -4.154 1.00 0.00 C ATOM 0 HA PRO A 35 -1.580 15.431 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.626 16.811 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.138 15.222 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.457 15.982 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.412 14.836 -5.972 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.287 14.021 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.471 13.140 -4.654 1.00 0.00 H new ATOM 519 N TRP A 36 -3.105 16.840 -2.295 1.00 0.00 N ATOM 520 CA TRP A 36 -3.149 18.005 -1.418 1.00 0.00 C ATOM 521 C TRP A 36 -2.397 17.736 -0.119 1.00 0.00 C ATOM 522 O TRP A 36 -2.600 18.426 0.881 1.00 0.00 O ATOM 523 CB TRP A 36 -4.598 18.386 -1.113 1.00 0.00 C ATOM 524 CG TRP A 36 -5.481 17.203 -0.851 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.337 16.608 -1.734 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.595 16.473 0.375 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.976 15.553 -1.129 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.538 15.448 0.164 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.991 16.585 1.630 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.890 14.544 1.162 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.341 15.686 2.620 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.283 14.676 2.382 1.00 0.00 C ATOM 0 H TRP A 36 -3.482 15.987 -1.883 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.664 18.835 -1.933 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.618 19.045 -0.245 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.001 18.953 -1.952 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.489 16.921 -2.756 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.666 14.946 -1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.264 17.360 1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.616 13.766 0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.881 15.763 3.594 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.535 13.989 3.176 1.00 0.00 H new ATOM 543 N CYS A 37 -1.529 16.730 -0.140 1.00 0.00 N ATOM 544 CA CYS A 37 -0.747 16.370 1.038 1.00 0.00 C ATOM 545 C CYS A 37 0.742 16.581 0.787 1.00 0.00 C ATOM 546 O CYS A 37 1.219 16.436 -0.338 1.00 0.00 O ATOM 547 CB CYS A 37 -1.010 14.914 1.424 1.00 0.00 C ATOM 548 SG CYS A 37 -0.054 14.344 2.849 1.00 0.00 S ATOM 0 H CYS A 37 -1.349 16.150 -0.959 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.054 17.017 1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.071 14.793 1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.784 14.276 0.570 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.347 13.102 3.099 1.00 0.00 H new ATOM 554 N GLY A 38 1.472 16.927 1.843 1.00 0.00 N ATOM 555 CA GLY A 38 2.899 17.155 1.716 1.00 0.00 C ATOM 556 C GLY A 38 3.704 15.876 1.836 1.00 0.00 C ATOM 557 O GLY A 38 4.579 15.604 1.013 1.00 0.00 O ATOM 0 H GLY A 38 1.100 17.053 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.105 17.621 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.221 17.857 2.485 1.00 0.00 H new ATOM 561 N HIS A 39 3.409 15.088 2.865 1.00 0.00 N ATOM 562 CA HIS A 39 4.112 13.830 3.090 1.00 0.00 C ATOM 563 C HIS A 39 4.361 13.103 1.772 1.00 0.00 C ATOM 564 O HIS A 39 5.430 12.529 1.562 1.00 0.00 O ATOM 565 CB HIS A 39 3.311 12.935 4.036 1.00 0.00 C ATOM 566 CG HIS A 39 3.354 13.383 5.465 1.00 0.00 C ATOM 567 ND1 HIS A 39 2.516 14.352 5.976 1.00 0.00 N ATOM 568 CD2 HIS A 39 4.141 12.988 6.493 1.00 0.00 C ATOM 569 CE1 HIS A 39 2.786 14.534 7.256 1.00 0.00 C ATOM 570 NE2 HIS A 39 3.768 13.719 7.595 1.00 0.00 N ATOM 0 H HIS A 39 2.688 15.298 3.556 1.00 0.00 H new ATOM 0 HA HIS A 39 5.075 14.058 3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.273 12.906 3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.695 11.917 3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.917 12.238 6.454 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.288 15.231 7.914 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.182 13.644 8.524 1.00 0.00 H new ATOM 579 N CYS A 40 3.368 13.130 0.891 1.00 0.00 N ATOM 580 CA CYS A 40 3.479 12.472 -0.406 1.00 0.00 C ATOM 581 C CYS A 40 4.642 13.046 -1.210 1.00 0.00 C ATOM 582 O CYS A 40 5.507 12.310 -1.684 1.00 0.00 O ATOM 583 CB CYS A 40 2.176 12.625 -1.192 1.00 0.00 C ATOM 584 SG CYS A 40 0.788 11.689 -0.508 1.00 0.00 S ATOM 0 H CYS A 40 2.477 13.600 1.051 1.00 0.00 H new ATOM 0 HA CYS A 40 3.669 11.413 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.907 13.681 -1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.345 12.305 -2.220 1.00 0.00 H new ATOM 0 HG CYS A 40 0.881 10.445 -0.874 1.00 0.00 H new ATOM 590 N LYS A 41 4.655 14.366 -1.361 1.00 0.00 N ATOM 591 CA LYS A 41 5.710 15.041 -2.107 1.00 0.00 C ATOM 592 C LYS A 41 7.077 14.460 -1.763 1.00 0.00 C ATOM 593 O LYS A 41 7.861 14.126 -2.651 1.00 0.00 O ATOM 594 CB LYS A 41 5.693 16.542 -1.810 1.00 0.00 C ATOM 595 CG LYS A 41 4.878 17.350 -2.806 1.00 0.00 C ATOM 596 CD LYS A 41 3.427 16.901 -2.832 1.00 0.00 C ATOM 597 CE LYS A 41 2.534 17.940 -3.494 1.00 0.00 C ATOM 598 NZ LYS A 41 1.104 17.525 -3.491 1.00 0.00 N ATOM 0 H LYS A 41 3.946 14.990 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 41 5.525 14.885 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.290 16.701 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.717 16.914 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.928 18.407 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.310 17.246 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.347 15.956 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.083 16.719 -1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.637 18.892 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.863 18.101 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.504 18.345 -3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.956 16.786 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.852 17.154 -2.553 1.00 0.00 H new ATOM 612 N GLN A 42 7.356 14.341 -0.468 1.00 0.00 N ATOM 613 CA GLN A 42 8.629 13.798 -0.008 1.00 0.00 C ATOM 614 C GLN A 42 8.681 12.288 -0.209 1.00 0.00 C ATOM 615 O GLN A 42 9.760 11.703 -0.322 1.00 0.00 O ATOM 616 CB GLN A 42 8.847 14.136 1.468 1.00 0.00 C ATOM 617 CG GLN A 42 8.417 13.029 2.416 1.00 0.00 C ATOM 618 CD GLN A 42 9.560 12.107 2.794 1.00 0.00 C ATOM 619 OE1 GLN A 42 10.588 12.063 1.955 1.00 0.00 O flip ATOM 620 NE2 GLN A 42 9.519 11.442 3.829 1.00 0.00 N flip ATOM 0 H GLN A 42 6.718 14.613 0.280 1.00 0.00 H new ATOM 0 HA GLN A 42 9.424 14.252 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.903 14.352 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.295 15.044 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.999 13.472 3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.623 12.445 1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.709 11.507 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.295 10.826 4.071 1.00 0.00 H new ATOM 629 N LEU A 43 7.511 11.661 -0.253 1.00 0.00 N ATOM 630 CA LEU A 43 7.423 10.216 -0.440 1.00 0.00 C ATOM 631 C LEU A 43 7.399 9.860 -1.923 1.00 0.00 C ATOM 632 O LEU A 43 7.571 8.700 -2.295 1.00 0.00 O ATOM 633 CB LEU A 43 6.172 9.668 0.248 1.00 0.00 C ATOM 634 CG LEU A 43 5.919 8.169 0.086 1.00 0.00 C ATOM 635 CD1 LEU A 43 6.930 7.367 0.890 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.500 7.819 0.509 1.00 0.00 C ATOM 0 H LEU A 43 6.610 12.130 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 43 8.306 9.762 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.240 9.892 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.305 10.206 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 43 6.037 7.912 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.734 6.302 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.937 7.595 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.845 7.628 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.338 6.748 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.354 8.091 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.790 8.367 -0.111 1.00 0.00 H new ATOM 648 N GLU A 44 7.187 10.867 -2.765 1.00 0.00 N ATOM 649 CA GLU A 44 7.142 10.659 -4.208 1.00 0.00 C ATOM 650 C GLU A 44 8.339 9.836 -4.676 1.00 0.00 C ATOM 651 O GLU A 44 8.194 8.776 -5.287 1.00 0.00 O ATOM 652 CB GLU A 44 7.116 12.003 -4.939 1.00 0.00 C ATOM 653 CG GLU A 44 5.714 12.508 -5.234 1.00 0.00 C ATOM 654 CD GLU A 44 4.814 11.430 -5.808 1.00 0.00 C ATOM 655 OE1 GLU A 44 5.198 10.816 -6.825 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.727 11.201 -5.238 1.00 0.00 O ATOM 0 H GLU A 44 7.044 11.834 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 44 6.231 10.109 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.641 12.745 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.664 11.908 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.271 12.895 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.772 13.340 -5.936 1.00 0.00 H new ATOM 663 N PRO A 45 9.549 10.334 -4.384 1.00 0.00 N ATOM 664 CA PRO A 45 10.795 9.661 -4.766 1.00 0.00 C ATOM 665 C PRO A 45 11.025 8.377 -3.977 1.00 0.00 C ATOM 666 O PRO A 45 11.673 7.448 -4.462 1.00 0.00 O ATOM 667 CB PRO A 45 11.873 10.695 -4.431 1.00 0.00 C ATOM 668 CG PRO A 45 11.269 11.540 -3.363 1.00 0.00 C ATOM 669 CD PRO A 45 9.796 11.591 -3.659 1.00 0.00 C ATOM 0 HA PRO A 45 10.789 9.355 -5.812 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.788 10.215 -4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.136 11.290 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.454 11.114 -2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.702 12.540 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.205 11.651 -2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.538 12.461 -4.263 1.00 0.00 H new ATOM 677 N ILE A 46 10.491 8.330 -2.762 1.00 0.00 N ATOM 678 CA ILE A 46 10.638 7.158 -1.908 1.00 0.00 C ATOM 679 C ILE A 46 9.842 5.978 -2.453 1.00 0.00 C ATOM 680 O ILE A 46 10.316 4.841 -2.450 1.00 0.00 O ATOM 681 CB ILE A 46 10.178 7.451 -0.467 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.084 8.503 0.177 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.173 6.172 0.357 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.483 9.147 1.406 1.00 0.00 C ATOM 0 H ILE A 46 9.952 9.090 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 46 11.698 6.905 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 46 9.162 7.844 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.032 8.038 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.307 9.277 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.846 6.395 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.491 5.451 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.179 5.752 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.180 9.882 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.549 9.641 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.286 8.383 2.158 1.00 0.00 H new ATOM 696 N TYR A 47 8.630 6.254 -2.922 1.00 0.00 N ATOM 697 CA TYR A 47 7.768 5.215 -3.471 1.00 0.00 C ATOM 698 C TYR A 47 8.227 4.806 -4.868 1.00 0.00 C ATOM 699 O TYR A 47 8.160 3.634 -5.239 1.00 0.00 O ATOM 700 CB TYR A 47 6.318 5.699 -3.520 1.00 0.00 C ATOM 701 CG TYR A 47 5.303 4.585 -3.399 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.128 3.905 -2.200 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.516 4.214 -4.483 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.203 2.886 -2.085 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.587 3.198 -4.377 1.00 0.00 C ATOM 706 CZ TYR A 47 3.434 2.536 -3.176 1.00 0.00 C ATOM 707 OH TYR A 47 2.510 1.523 -3.065 1.00 0.00 O ATOM 0 H TYR A 47 8.223 7.189 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 47 7.832 4.344 -2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.156 6.416 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.152 6.230 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.726 4.178 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.633 4.730 -5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.082 2.366 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.983 2.923 -5.229 1.00 0.00 H new ATOM 0 HH TYR A 47 2.052 1.403 -3.923 1.00 0.00 H new ATOM 717 N THR A 48 8.695 5.783 -5.639 1.00 0.00 N ATOM 718 CA THR A 48 9.166 5.528 -6.994 1.00 0.00 C ATOM 719 C THR A 48 10.231 4.438 -7.010 1.00 0.00 C ATOM 720 O THR A 48 10.043 3.381 -7.612 1.00 0.00 O ATOM 721 CB THR A 48 9.742 6.803 -7.638 1.00 0.00 C ATOM 722 OG1 THR A 48 8.678 7.682 -8.021 1.00 0.00 O ATOM 723 CG2 THR A 48 10.586 6.460 -8.856 1.00 0.00 C ATOM 0 H THR A 48 8.758 6.758 -5.347 1.00 0.00 H new ATOM 0 HA THR A 48 8.303 5.197 -7.571 1.00 0.00 H new ATOM 0 HB THR A 48 10.377 7.299 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.363 8.176 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.982 7.376 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.412 5.815 -8.556 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.970 5.943 -9.592 1.00 0.00 H new ATOM 731 N SER A 49 11.351 4.702 -6.345 1.00 0.00 N ATOM 732 CA SER A 49 12.449 3.745 -6.285 1.00 0.00 C ATOM 733 C SER A 49 11.977 2.412 -5.712 1.00 0.00 C ATOM 734 O SER A 49 12.459 1.348 -6.105 1.00 0.00 O ATOM 735 CB SER A 49 13.594 4.301 -5.437 1.00 0.00 C ATOM 736 OG SER A 49 14.051 5.542 -5.946 1.00 0.00 O ATOM 0 H SER A 49 11.522 5.572 -5.840 1.00 0.00 H new ATOM 0 HA SER A 49 12.808 3.578 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.259 4.428 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.417 3.587 -5.419 1.00 0.00 H new ATOM 0 HG SER A 49 14.782 5.877 -5.385 1.00 0.00 H new ATOM 742 N LEU A 50 11.031 2.477 -4.782 1.00 0.00 N ATOM 743 CA LEU A 50 10.492 1.276 -4.153 1.00 0.00 C ATOM 744 C LEU A 50 9.772 0.403 -5.175 1.00 0.00 C ATOM 745 O LEU A 50 9.727 -0.819 -5.041 1.00 0.00 O ATOM 746 CB LEU A 50 9.533 1.655 -3.023 1.00 0.00 C ATOM 747 CG LEU A 50 9.079 0.511 -2.116 1.00 0.00 C ATOM 748 CD1 LEU A 50 10.129 0.222 -1.055 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.742 0.841 -1.469 1.00 0.00 C ATOM 0 H LEU A 50 10.621 3.349 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 50 11.325 0.707 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.013 2.413 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.649 2.116 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 50 8.953 -0.383 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.788 -0.595 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.065 -0.059 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.287 1.113 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.435 0.015 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.841 1.748 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.991 0.997 -2.244 1.00 0.00 H new ATOM 761 N GLY A 51 9.211 1.039 -6.199 1.00 0.00 N ATOM 762 CA GLY A 51 8.502 0.305 -7.231 1.00 0.00 C ATOM 763 C GLY A 51 9.416 -0.148 -8.352 1.00 0.00 C ATOM 764 O GLY A 51 9.438 -1.326 -8.708 1.00 0.00 O ATOM 0 H GLY A 51 9.235 2.050 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.018 -0.565 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.712 0.934 -7.642 1.00 0.00 H new ATOM 768 N LYS A 52 10.172 0.790 -8.912 1.00 0.00 N ATOM 769 CA LYS A 52 11.092 0.483 -10.000 1.00 0.00 C ATOM 770 C LYS A 52 12.070 -0.614 -9.592 1.00 0.00 C ATOM 771 O LYS A 52 12.557 -1.371 -10.433 1.00 0.00 O ATOM 772 CB LYS A 52 11.862 1.739 -10.415 1.00 0.00 C ATOM 773 CG LYS A 52 13.062 2.036 -9.533 1.00 0.00 C ATOM 774 CD LYS A 52 13.603 3.435 -9.778 1.00 0.00 C ATOM 775 CE LYS A 52 15.011 3.593 -9.226 1.00 0.00 C ATOM 776 NZ LYS A 52 16.044 3.173 -10.214 1.00 0.00 N ATOM 0 H LYS A 52 10.165 1.770 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 52 10.507 0.127 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.198 1.625 -11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.186 2.593 -10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.779 1.933 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.846 1.303 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.605 3.643 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.944 4.168 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.177 4.633 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.114 2.999 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.990 3.296 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.901 2.173 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.963 3.757 -11.071 1.00 0.00 H new ATOM 790 N LYS A 53 12.354 -0.695 -8.297 1.00 0.00 N ATOM 791 CA LYS A 53 13.272 -1.701 -7.776 1.00 0.00 C ATOM 792 C LYS A 53 12.557 -3.032 -7.563 1.00 0.00 C ATOM 793 O LYS A 53 13.093 -4.093 -7.882 1.00 0.00 O ATOM 794 CB LYS A 53 13.889 -1.225 -6.459 1.00 0.00 C ATOM 795 CG LYS A 53 13.018 -1.498 -5.245 1.00 0.00 C ATOM 796 CD LYS A 53 13.506 -0.735 -4.025 1.00 0.00 C ATOM 797 CE LYS A 53 14.992 -0.957 -3.786 1.00 0.00 C ATOM 798 NZ LYS A 53 15.281 -2.354 -3.358 1.00 0.00 N ATOM 0 H LYS A 53 11.961 -0.076 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 53 14.065 -1.848 -8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.853 -1.715 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.082 -0.154 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.988 -1.215 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.016 -2.567 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.313 0.329 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.944 -1.053 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.544 -0.735 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.345 -0.263 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.304 -2.466 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.774 -2.558 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.967 -3.015 -4.097 1.00 0.00 H new ATOM 812 N TYR A 54 11.346 -2.967 -7.023 1.00 0.00 N ATOM 813 CA TYR A 54 10.558 -4.167 -6.766 1.00 0.00 C ATOM 814 C TYR A 54 9.790 -4.591 -8.014 1.00 0.00 C ATOM 815 O TYR A 54 9.068 -5.589 -8.005 1.00 0.00 O ATOM 816 CB TYR A 54 9.584 -3.926 -5.612 1.00 0.00 C ATOM 817 CG TYR A 54 10.179 -4.203 -4.250 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.929 -3.238 -3.588 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.990 -5.429 -3.624 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.475 -3.488 -2.344 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.531 -5.686 -2.379 1.00 0.00 C ATOM 822 CZ TYR A 54 11.274 -4.713 -1.744 1.00 0.00 C ATOM 823 OH TYR A 54 11.815 -4.964 -0.504 1.00 0.00 O ATOM 0 H TYR A 54 10.888 -2.096 -6.754 1.00 0.00 H new ATOM 0 HA TYR A 54 11.243 -4.969 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.242 -2.892 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.706 -4.557 -5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.088 -2.277 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.410 -6.194 -4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.056 -2.728 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.373 -6.644 -1.906 1.00 0.00 H new ATOM 0 HH TYR A 54 11.139 -4.800 0.187 1.00 0.00 H new ATOM 833 N LYS A 55 9.951 -3.827 -9.089 1.00 0.00 N ATOM 834 CA LYS A 55 9.276 -4.122 -10.347 1.00 0.00 C ATOM 835 C LYS A 55 9.779 -5.435 -10.939 1.00 0.00 C ATOM 836 O LYS A 55 9.041 -6.140 -11.626 1.00 0.00 O ATOM 837 CB LYS A 55 9.494 -2.983 -11.346 1.00 0.00 C ATOM 838 CG LYS A 55 10.732 -3.159 -12.208 1.00 0.00 C ATOM 839 CD LYS A 55 10.878 -2.028 -13.212 1.00 0.00 C ATOM 840 CE LYS A 55 10.085 -2.304 -14.481 1.00 0.00 C ATOM 841 NZ LYS A 55 10.665 -3.431 -15.263 1.00 0.00 N ATOM 0 H LYS A 55 10.544 -2.998 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 55 8.210 -4.220 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.620 -2.905 -11.992 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.572 -2.042 -10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.616 -3.199 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.676 -4.111 -12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.536 -1.095 -12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.931 -1.895 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.052 -2.536 -14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.064 -1.406 -15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.360 -3.359 -16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.703 -3.388 -15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.338 -4.334 -14.865 1.00 0.00 H new ATOM 855 N GLY A 56 11.040 -5.758 -10.667 1.00 0.00 N ATOM 856 CA GLY A 56 11.618 -6.986 -11.179 1.00 0.00 C ATOM 857 C GLY A 56 11.443 -8.151 -10.226 1.00 0.00 C ATOM 858 O GLY A 56 12.259 -9.072 -10.204 1.00 0.00 O ATOM 0 H GLY A 56 11.671 -5.191 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.156 -7.230 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.680 -6.832 -11.369 1.00 0.00 H new ATOM 862 N GLN A 57 10.376 -8.111 -9.434 1.00 0.00 N ATOM 863 CA GLN A 57 10.098 -9.171 -8.473 1.00 0.00 C ATOM 864 C GLN A 57 9.135 -10.199 -9.058 1.00 0.00 C ATOM 865 O GLN A 57 8.729 -10.096 -10.216 1.00 0.00 O ATOM 866 CB GLN A 57 9.515 -8.583 -7.187 1.00 0.00 C ATOM 867 CG GLN A 57 10.570 -8.125 -6.194 1.00 0.00 C ATOM 868 CD GLN A 57 10.980 -9.221 -5.230 1.00 0.00 C ATOM 869 OE1 GLN A 57 12.013 -9.867 -5.409 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.170 -9.437 -4.200 1.00 0.00 N ATOM 0 H GLN A 57 9.690 -7.356 -9.439 1.00 0.00 H new ATOM 0 HA GLN A 57 11.038 -9.672 -8.242 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.876 -7.737 -7.441 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.880 -9.330 -6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.448 -7.777 -6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.187 -7.275 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.324 -8.878 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.394 -10.162 -3.518 1.00 0.00 H new ATOM 879 N LYS A 58 8.773 -11.190 -8.251 1.00 0.00 N ATOM 880 CA LYS A 58 7.857 -12.237 -8.687 1.00 0.00 C ATOM 881 C LYS A 58 6.433 -11.940 -8.228 1.00 0.00 C ATOM 882 O LYS A 58 6.170 -11.812 -7.032 1.00 0.00 O ATOM 883 CB LYS A 58 8.306 -13.595 -8.144 1.00 0.00 C ATOM 884 CG LYS A 58 9.249 -14.340 -9.073 1.00 0.00 C ATOM 885 CD LYS A 58 8.489 -15.224 -10.048 1.00 0.00 C ATOM 886 CE LYS A 58 9.329 -15.553 -11.272 1.00 0.00 C ATOM 887 NZ LYS A 58 10.191 -16.747 -11.049 1.00 0.00 N ATOM 0 H LYS A 58 9.100 -11.290 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 58 7.870 -12.266 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.798 -13.448 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.427 -14.213 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.856 -13.624 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.934 -14.951 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.193 -16.147 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.573 -14.722 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.674 -15.732 -12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.954 -14.696 -11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.748 -16.938 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.834 -16.567 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.594 -17.571 -10.833 1.00 0.00 H new ATOM 901 N ASP A 59 5.518 -11.833 -9.185 1.00 0.00 N ATOM 902 CA ASP A 59 4.120 -11.554 -8.879 1.00 0.00 C ATOM 903 C ASP A 59 4.001 -10.402 -7.886 1.00 0.00 C ATOM 904 O ASP A 59 3.296 -10.504 -6.881 1.00 0.00 O ATOM 905 CB ASP A 59 3.440 -12.802 -8.315 1.00 0.00 C ATOM 906 CG ASP A 59 4.118 -14.082 -8.760 1.00 0.00 C ATOM 907 OD1 ASP A 59 5.088 -14.502 -8.095 1.00 0.00 O ATOM 908 OD2 ASP A 59 3.681 -14.665 -9.775 1.00 0.00 O ATOM 0 H ASP A 59 5.719 -11.935 -10.180 1.00 0.00 H new ATOM 0 HA ASP A 59 3.622 -11.266 -9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.442 -12.753 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.397 -12.818 -8.631 1.00 0.00 H new ATOM 913 N LEU A 60 4.695 -9.306 -8.173 1.00 0.00 N ATOM 914 CA LEU A 60 4.668 -8.134 -7.305 1.00 0.00 C ATOM 915 C LEU A 60 4.719 -6.848 -8.124 1.00 0.00 C ATOM 916 O LEU A 60 5.661 -6.620 -8.882 1.00 0.00 O ATOM 917 CB LEU A 60 5.842 -8.175 -6.324 1.00 0.00 C ATOM 918 CG LEU A 60 5.763 -7.207 -5.143 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.995 -7.833 -3.990 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.159 -6.796 -4.697 1.00 0.00 C ATOM 0 H LEU A 60 5.283 -9.205 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 60 3.733 -8.149 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.927 -9.189 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.759 -7.969 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 60 5.228 -6.313 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.949 -7.129 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.984 -8.076 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.501 -8.743 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.084 -6.107 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.719 -7.680 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.675 -6.306 -5.523 1.00 0.00 H new ATOM 932 N VAL A 61 3.700 -6.010 -7.964 1.00 0.00 N ATOM 933 CA VAL A 61 3.630 -4.745 -8.686 1.00 0.00 C ATOM 934 C VAL A 61 3.170 -3.616 -7.771 1.00 0.00 C ATOM 935 O VAL A 61 2.005 -3.559 -7.376 1.00 0.00 O ATOM 936 CB VAL A 61 2.673 -4.838 -9.889 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.820 -3.617 -10.784 1.00 0.00 C ATOM 938 CG2 VAL A 61 2.926 -6.117 -10.673 1.00 0.00 C ATOM 0 H VAL A 61 2.911 -6.184 -7.341 1.00 0.00 H new ATOM 0 HA VAL A 61 4.636 -4.530 -9.047 1.00 0.00 H new ATOM 0 HB VAL A 61 1.649 -4.864 -9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.136 -3.700 -11.629 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.585 -2.718 -10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.844 -3.556 -11.151 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.241 -6.166 -11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.953 -6.124 -11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.765 -6.979 -10.025 1.00 0.00 H new ATOM 948 N ILE A 62 4.092 -2.718 -7.440 1.00 0.00 N ATOM 949 CA ILE A 62 3.780 -1.588 -6.573 1.00 0.00 C ATOM 950 C ILE A 62 3.037 -0.498 -7.337 1.00 0.00 C ATOM 951 O ILE A 62 3.641 0.275 -8.080 1.00 0.00 O ATOM 952 CB ILE A 62 5.055 -0.987 -5.952 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.684 -1.974 -4.967 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.737 0.330 -5.260 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.959 -1.465 -4.332 1.00 0.00 C ATOM 0 H ILE A 62 5.060 -2.751 -7.759 1.00 0.00 H new ATOM 0 HA ILE A 62 3.142 -1.968 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 62 5.772 -0.792 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.962 -2.201 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.895 -2.909 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.648 0.742 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.330 1.034 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.005 0.159 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.349 -2.217 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.697 -1.265 -5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.751 -0.546 -3.784 1.00 0.00 H new ATOM 967 N ALA A 63 1.723 -0.440 -7.147 1.00 0.00 N ATOM 968 CA ALA A 63 0.897 0.558 -7.815 1.00 0.00 C ATOM 969 C ALA A 63 0.259 1.506 -6.806 1.00 0.00 C ATOM 970 O ALA A 63 0.177 1.201 -5.616 1.00 0.00 O ATOM 971 CB ALA A 63 -0.174 -0.120 -8.656 1.00 0.00 C ATOM 0 H ALA A 63 1.207 -1.073 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 63 1.539 1.146 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.783 0.638 -9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.299 -0.751 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.807 -0.733 -8.014 1.00 0.00 H new ATOM 977 N LYS A 64 -0.192 2.659 -7.288 1.00 0.00 N ATOM 978 CA LYS A 64 -0.825 3.654 -6.429 1.00 0.00 C ATOM 979 C LYS A 64 -2.184 4.067 -6.984 1.00 0.00 C ATOM 980 O LYS A 64 -2.527 3.738 -8.119 1.00 0.00 O ATOM 981 CB LYS A 64 0.076 4.883 -6.288 1.00 0.00 C ATOM 982 CG LYS A 64 0.410 5.547 -7.613 1.00 0.00 C ATOM 983 CD LYS A 64 1.436 6.653 -7.439 1.00 0.00 C ATOM 984 CE LYS A 64 2.182 6.931 -8.735 1.00 0.00 C ATOM 985 NZ LYS A 64 3.476 7.627 -8.493 1.00 0.00 N ATOM 0 H LYS A 64 -0.131 2.928 -8.270 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.975 3.207 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.414 5.610 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.002 4.589 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.793 4.800 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.498 5.958 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.938 7.562 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.147 6.372 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.367 5.992 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.559 7.541 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.953 7.798 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.298 8.535 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.082 7.034 -7.890 1.00 0.00 H new ATOM 999 N MET A 65 -2.953 4.790 -6.177 1.00 0.00 N ATOM 1000 CA MET A 65 -4.274 5.250 -6.590 1.00 0.00 C ATOM 1001 C MET A 65 -4.739 6.415 -5.722 1.00 0.00 C ATOM 1002 O MET A 65 -4.402 6.495 -4.540 1.00 0.00 O ATOM 1003 CB MET A 65 -5.284 4.104 -6.511 1.00 0.00 C ATOM 1004 CG MET A 65 -6.690 4.504 -6.929 1.00 0.00 C ATOM 1005 SD MET A 65 -7.682 5.103 -5.548 1.00 0.00 S ATOM 1006 CE MET A 65 -9.114 4.035 -5.672 1.00 0.00 C ATOM 0 H MET A 65 -2.685 5.070 -5.234 1.00 0.00 H new ATOM 0 HA MET A 65 -4.206 5.594 -7.622 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.944 3.286 -7.146 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.311 3.724 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.631 5.280 -7.692 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.187 3.647 -7.384 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.937 4.462 -5.099 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.409 3.942 -6.717 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.869 3.050 -5.275 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.515 7.316 -6.315 1.00 0.00 N ATOM 1017 CA ASP A 66 -6.028 8.476 -5.595 1.00 0.00 C ATOM 1018 C ASP A 66 -7.378 8.166 -4.955 1.00 0.00 C ATOM 1019 O ASP A 66 -8.403 8.126 -5.635 1.00 0.00 O ATOM 1020 CB ASP A 66 -6.159 9.672 -6.539 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.931 9.862 -7.407 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.462 8.866 -7.997 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.439 11.006 -7.496 1.00 0.00 O ATOM 0 H ASP A 66 -5.803 7.265 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.320 8.724 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.033 9.534 -7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.330 10.576 -5.954 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.369 7.946 -3.645 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.593 7.640 -2.914 1.00 0.00 C ATOM 1030 C ALA A 67 -9.478 8.875 -2.784 1.00 0.00 C ATOM 1031 O ALA A 67 -10.673 8.769 -2.506 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.260 7.080 -1.539 1.00 0.00 C ATOM 0 H ALA A 67 -6.528 7.974 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.145 6.887 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.183 6.856 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.674 6.168 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.684 7.815 -0.977 1.00 0.00 H new ATOM 1038 N THR A 68 -8.884 10.047 -2.988 1.00 0.00 N ATOM 1039 CA THR A 68 -9.618 11.302 -2.892 1.00 0.00 C ATOM 1040 C THR A 68 -10.484 11.529 -4.126 1.00 0.00 C ATOM 1041 O THR A 68 -11.547 12.143 -4.046 1.00 0.00 O ATOM 1042 CB THR A 68 -8.664 12.500 -2.721 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.988 12.767 -3.954 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.644 12.227 -1.626 1.00 0.00 C ATOM 0 H THR A 68 -7.897 10.153 -3.221 1.00 0.00 H new ATOM 0 HA THR A 68 -10.257 11.227 -2.012 1.00 0.00 H new ATOM 0 HB THR A 68 -9.255 13.370 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.385 13.531 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.981 13.086 -1.523 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.161 12.053 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.058 11.346 -1.886 1.00 0.00 H new ATOM 1052 N ALA A 69 -10.022 11.028 -5.267 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.756 11.174 -6.518 1.00 0.00 C ATOM 1054 C ALA A 69 -11.501 9.891 -6.870 1.00 0.00 C ATOM 1055 O ALA A 69 -12.678 9.924 -7.228 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.808 11.561 -7.644 1.00 0.00 C ATOM 0 H ALA A 69 -9.143 10.518 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.492 11.967 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.370 11.667 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.324 12.507 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.051 10.786 -7.764 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.808 8.762 -6.765 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.405 7.467 -7.074 1.00 0.00 C ATOM 1064 C ASN A 70 -12.073 6.868 -5.840 1.00 0.00 C ATOM 1065 O ASN A 70 -11.459 6.764 -4.778 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.342 6.506 -7.609 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.585 7.081 -8.791 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.147 7.266 -9.871 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.303 7.365 -8.591 1.00 0.00 N ATOM 0 H ASN A 70 -9.833 8.717 -6.469 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.166 7.619 -7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.638 6.267 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.818 5.571 -7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.742 7.753 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.879 7.195 -7.679 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.334 6.477 -5.988 1.00 0.00 N ATOM 1077 CA ASP A 71 -14.086 5.886 -4.887 1.00 0.00 C ATOM 1078 C ASP A 71 -13.672 4.435 -4.663 1.00 0.00 C ATOM 1079 O ASP A 71 -13.819 3.594 -5.550 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.588 5.964 -5.167 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.975 7.234 -5.900 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.240 8.236 -5.779 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -17.013 7.225 -6.595 1.00 0.00 O ATOM 0 H ASP A 71 -13.857 6.559 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.863 6.452 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.890 5.100 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.134 5.911 -4.225 1.00 0.00 H new ATOM 1088 N ILE A 72 -13.155 4.150 -3.473 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.720 2.801 -3.133 1.00 0.00 C ATOM 1090 C ILE A 72 -13.900 1.835 -3.101 1.00 0.00 C ATOM 1091 O ILE A 72 -14.623 1.752 -2.108 1.00 0.00 O ATOM 1092 CB ILE A 72 -12.006 2.766 -1.769 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.663 3.493 -1.853 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.809 1.329 -1.310 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.805 3.324 -0.619 1.00 0.00 C ATOM 0 H ILE A 72 -13.027 4.835 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.020 2.491 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.630 3.278 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.114 3.126 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.844 4.555 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.303 1.322 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.779 0.841 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -11.203 0.793 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.869 3.866 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.334 3.718 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.593 2.266 -0.465 1.00 0.00 H new ATOM 1107 N THR A 73 -14.089 1.103 -4.195 1.00 0.00 N ATOM 1108 CA THR A 73 -15.180 0.142 -4.293 1.00 0.00 C ATOM 1109 C THR A 73 -15.198 -0.794 -3.090 1.00 0.00 C ATOM 1110 O THR A 73 -16.258 -1.099 -2.545 1.00 0.00 O ATOM 1111 CB THR A 73 -15.075 -0.697 -5.581 1.00 0.00 C ATOM 1112 OG1 THR A 73 -13.727 -1.143 -5.767 1.00 0.00 O ATOM 1113 CG2 THR A 73 -15.519 0.110 -6.791 1.00 0.00 C ATOM 0 H THR A 73 -13.500 1.158 -5.026 1.00 0.00 H new ATOM 0 HA THR A 73 -16.106 0.716 -4.317 1.00 0.00 H new ATOM 0 HB THR A 73 -15.732 -1.561 -5.480 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.726 -1.973 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.436 -0.504 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.555 0.422 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.885 0.991 -6.894 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.017 -1.246 -2.680 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.898 -2.147 -1.540 1.00 0.00 C ATOM 1123 C ASN A 74 -14.251 -1.431 -0.240 1.00 0.00 C ATOM 1124 O ASN A 74 -14.685 -0.279 -0.253 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.478 -2.711 -1.455 1.00 0.00 C ATOM 1126 CG ASN A 74 -11.445 -1.765 -2.037 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.477 -1.449 -3.227 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -10.521 -1.309 -1.199 1.00 0.00 N ATOM 0 H ASN A 74 -13.130 -1.003 -3.120 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.600 -2.968 -1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.233 -2.916 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.435 -3.662 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.800 -0.670 -1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.533 -1.597 -0.221 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.061 -2.120 0.879 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.357 -1.549 2.188 1.00 0.00 C ATOM 1137 C ASP A 75 -13.217 -1.814 3.167 1.00 0.00 C ATOM 1138 O ASP A 75 -12.791 -0.917 3.894 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.662 -2.128 2.737 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.091 -1.464 4.030 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -15.509 -1.790 5.086 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -17.011 -0.620 3.988 1.00 0.00 O ATOM 0 H ASP A 75 -13.703 -3.075 0.906 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.468 -0.471 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.450 -2.010 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.539 -3.198 2.905 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.731 -3.050 3.180 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.642 -3.433 4.072 1.00 0.00 C ATOM 1149 C GLN A 76 -10.562 -2.356 4.106 1.00 0.00 C ATOM 1150 O GLN A 76 -9.865 -2.192 5.107 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.035 -4.765 3.628 1.00 0.00 C ATOM 1152 CG GLN A 76 -10.695 -4.816 2.148 1.00 0.00 C ATOM 1153 CD GLN A 76 -10.916 -6.189 1.544 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -10.031 -6.744 0.894 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.103 -6.745 1.758 1.00 0.00 N ATOM 0 H GLN A 76 -13.073 -3.804 2.584 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.051 -3.545 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.131 -4.953 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.734 -5.568 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.304 -4.086 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.654 -4.525 2.008 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.808 -6.249 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.310 -7.668 1.377 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.429 -1.624 3.005 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.433 -0.564 2.908 1.00 0.00 C ATOM 1166 C TYR A 77 -9.990 0.757 3.429 1.00 0.00 C ATOM 1167 O TYR A 77 -10.998 1.260 2.931 1.00 0.00 O ATOM 1168 CB TYR A 77 -8.972 -0.400 1.459 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.194 -1.585 0.933 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.817 -2.807 0.712 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.837 -1.483 0.656 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.111 -3.893 0.232 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.122 -2.563 0.174 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.764 -3.766 -0.036 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.056 -4.844 -0.515 1.00 0.00 O ATOM 0 H TYR A 77 -10.999 -1.746 2.168 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.579 -0.845 3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.844 -0.238 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.352 0.494 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.872 -2.910 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.331 -0.543 0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.611 -4.836 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.067 -2.466 -0.037 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.453 -5.673 -0.176 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.326 1.316 4.435 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.751 2.580 5.024 1.00 0.00 C ATOM 1187 C LYS A 78 -8.617 3.601 5.000 1.00 0.00 C ATOM 1188 O LYS A 78 -7.480 3.288 5.352 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.224 2.362 6.463 1.00 0.00 C ATOM 1190 CG LYS A 78 -11.695 2.000 6.572 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.294 2.488 7.881 1.00 0.00 C ATOM 1192 CE LYS A 78 -11.637 1.817 9.078 1.00 0.00 C ATOM 1193 NZ LYS A 78 -12.505 1.866 10.286 1.00 0.00 N ATOM 0 H LYS A 78 -8.491 0.913 4.860 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.579 2.968 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.629 1.569 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.038 3.269 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.241 2.437 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.811 0.919 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.174 3.569 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.365 2.285 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.412 0.779 8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.687 2.307 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.022 1.399 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.699 2.857 10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.401 1.376 10.090 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.935 4.822 4.582 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.944 5.889 4.515 1.00 0.00 C ATOM 1209 C VAL A 79 -8.185 6.933 5.599 1.00 0.00 C ATOM 1210 O VAL A 79 -9.059 7.789 5.467 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.958 6.582 3.139 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.953 7.723 3.105 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.673 5.576 2.034 1.00 0.00 C ATOM 0 H VAL A 79 -9.871 5.097 4.285 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.970 5.426 4.671 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.951 7.000 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.977 8.200 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.207 8.455 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.953 7.333 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.687 6.082 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.693 5.127 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.435 4.797 2.046 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.403 6.855 6.672 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.533 7.794 7.780 1.00 0.00 C ATOM 1225 C GLU A 80 -6.494 8.907 7.674 1.00 0.00 C ATOM 1226 O GLU A 80 -6.647 9.972 8.271 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.379 7.064 9.116 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.427 5.988 9.346 1.00 0.00 C ATOM 1229 CD GLU A 80 -9.666 6.519 10.042 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -10.415 7.294 9.412 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.885 6.158 11.217 1.00 0.00 O ATOM 0 H GLU A 80 -6.674 6.152 6.797 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.526 8.241 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.389 6.610 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.433 7.791 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.711 5.553 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.994 5.186 9.944 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.437 8.651 6.910 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.388 9.640 6.739 1.00 0.00 C ATOM 1240 C GLY A 81 -3.395 9.252 5.662 1.00 0.00 C ATOM 1241 O GLY A 81 -2.979 8.096 5.578 1.00 0.00 O ATOM 0 H GLY A 81 -5.288 7.777 6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.837 10.601 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.861 9.773 7.684 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.015 10.220 4.834 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.067 9.973 3.754 1.00 0.00 C ATOM 1247 C PHE A 82 -0.665 10.430 4.146 1.00 0.00 C ATOM 1248 O PHE A 82 -0.485 11.355 4.939 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.513 10.694 2.480 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.996 10.644 2.251 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.852 11.447 2.988 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.535 9.794 1.299 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.217 11.404 2.779 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.900 9.746 1.086 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.742 10.551 1.828 1.00 0.00 C ATOM 0 H PHE A 82 -3.349 11.182 4.890 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.041 8.900 3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.196 11.736 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.006 10.249 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.447 12.114 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.881 9.162 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.873 12.037 3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.308 9.080 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.809 10.514 1.665 1.00 0.00 H new ATOM 1265 N PRO A 83 0.354 9.766 3.579 1.00 0.00 N ATOM 1266 CA PRO A 83 0.152 8.663 2.635 1.00 0.00 C ATOM 1267 C PRO A 83 -0.412 7.418 3.310 1.00 0.00 C ATOM 1268 O PRO A 83 -0.292 7.248 4.524 1.00 0.00 O ATOM 1269 CB PRO A 83 1.561 8.391 2.101 1.00 0.00 C ATOM 1270 CG PRO A 83 2.472 8.868 3.178 1.00 0.00 C ATOM 1271 CD PRO A 83 1.781 10.041 3.817 1.00 0.00 C ATOM 0 HA PRO A 83 -0.571 8.917 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.709 7.330 1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.740 8.923 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.659 8.080 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.439 9.160 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.005 10.109 4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.089 10.984 3.366 1.00 0.00 H new ATOM 1279 N THR A 84 -1.029 6.548 2.516 1.00 0.00 N ATOM 1280 CA THR A 84 -1.612 5.318 3.037 1.00 0.00 C ATOM 1281 C THR A 84 -1.260 4.126 2.155 1.00 0.00 C ATOM 1282 O THR A 84 -1.848 3.934 1.090 1.00 0.00 O ATOM 1283 CB THR A 84 -3.145 5.426 3.148 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.516 6.756 3.526 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.685 4.434 4.166 1.00 0.00 C ATOM 0 H THR A 84 -1.138 6.673 1.510 1.00 0.00 H new ATOM 0 HA THR A 84 -1.193 5.166 4.032 1.00 0.00 H new ATOM 0 HB THR A 84 -3.575 5.193 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.951 7.055 4.269 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.769 4.529 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.426 3.421 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.247 4.640 5.143 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.299 3.326 2.605 1.00 0.00 N ATOM 1294 CA ILE A 85 0.130 2.151 1.857 1.00 0.00 C ATOM 1295 C ILE A 85 -0.614 0.903 2.320 1.00 0.00 C ATOM 1296 O ILE A 85 -0.919 0.753 3.503 1.00 0.00 O ATOM 1297 CB ILE A 85 1.645 1.914 1.999 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.423 3.122 1.474 1.00 0.00 C ATOM 1299 CG2 ILE A 85 2.055 0.650 1.259 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.780 3.294 2.119 1.00 0.00 C ATOM 0 H ILE A 85 0.197 3.470 3.484 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.102 2.342 0.809 1.00 0.00 H new ATOM 0 HB ILE A 85 1.881 1.785 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.552 3.020 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.834 4.024 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.128 0.496 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.522 -0.205 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.809 0.751 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.274 4.170 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.658 3.428 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.387 2.409 1.930 1.00 0.00 H new ATOM 1312 N TYR A 86 -0.901 0.009 1.380 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.610 -1.226 1.691 1.00 0.00 C ATOM 1314 C TYR A 86 -1.087 -2.382 0.844 1.00 0.00 C ATOM 1315 O TYR A 86 -0.791 -2.216 -0.339 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.112 -1.049 1.462 1.00 0.00 C ATOM 1317 CG TYR A 86 -3.861 -0.580 2.689 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.143 -1.455 3.731 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.286 0.737 2.806 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -4.827 -1.031 4.854 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -4.970 1.170 3.926 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.238 0.283 4.947 1.00 0.00 C ATOM 1323 OH TYR A 86 -5.920 0.710 6.063 1.00 0.00 O ATOM 0 H TYR A 86 -0.653 0.117 0.396 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.435 -1.461 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.266 -0.331 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.534 -1.997 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.822 -2.484 3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.078 1.435 2.008 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.039 -1.724 5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.293 2.198 4.001 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.405 1.536 5.854 1.00 0.00 H new ATOM 1333 N PHE A 87 -0.978 -3.555 1.458 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.491 -4.741 0.762 1.00 0.00 C ATOM 1335 C PHE A 87 -1.625 -5.732 0.517 1.00 0.00 C ATOM 1336 O PHE A 87 -2.189 -6.290 1.458 1.00 0.00 O ATOM 1337 CB PHE A 87 0.622 -5.411 1.570 1.00 0.00 C ATOM 1338 CG PHE A 87 1.366 -6.468 0.803 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.854 -7.751 0.692 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.577 -6.178 0.195 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.535 -8.725 -0.013 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.262 -7.148 -0.511 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.742 -8.424 -0.615 1.00 0.00 C ATOM 0 H PHE A 87 -1.220 -3.710 2.437 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.092 -4.428 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.328 -4.650 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.191 -5.859 2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.088 -7.992 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.990 -5.183 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.124 -9.721 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.204 -6.909 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.277 -9.184 -1.165 1.00 0.00 H new ATOM 1353 N ALA A 88 -1.953 -5.944 -0.753 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.018 -6.868 -1.122 1.00 0.00 C ATOM 1355 C ALA A 88 -2.448 -8.186 -1.636 1.00 0.00 C ATOM 1356 O ALA A 88 -2.110 -8.328 -2.812 1.00 0.00 O ATOM 1357 CB ALA A 88 -3.924 -6.238 -2.170 1.00 0.00 C ATOM 0 H ALA A 88 -1.497 -5.489 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.606 -7.080 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.715 -6.939 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.367 -5.327 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.340 -5.996 -3.058 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.336 -9.174 -0.736 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.807 -10.498 -1.076 1.00 0.00 C ATOM 1365 C PRO A 89 -2.753 -11.289 -1.972 1.00 0.00 C ATOM 1366 O PRO A 89 -3.823 -11.716 -1.538 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.663 -11.183 0.285 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.657 -10.500 1.160 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.719 -9.076 0.682 1.00 0.00 C ATOM 0 HA PRO A 89 -0.875 -10.432 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.866 -12.251 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.651 -11.076 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.634 -10.979 1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.354 -10.548 2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.718 -8.656 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.036 -8.435 1.239 1.00 0.00 H new ATOM 1377 N SER A 90 -2.353 -11.480 -3.225 1.00 0.00 N ATOM 1378 CA SER A 90 -3.168 -12.217 -4.184 1.00 0.00 C ATOM 1379 C SER A 90 -3.711 -13.500 -3.563 1.00 0.00 C ATOM 1380 O SER A 90 -2.975 -14.464 -3.359 1.00 0.00 O ATOM 1381 CB SER A 90 -2.350 -12.548 -5.433 1.00 0.00 C ATOM 1382 OG SER A 90 -2.735 -13.798 -5.979 1.00 0.00 O ATOM 0 H SER A 90 -1.470 -11.135 -3.600 1.00 0.00 H new ATOM 0 HA SER A 90 -4.011 -11.586 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.486 -11.765 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.289 -12.568 -5.182 1.00 0.00 H new ATOM 0 HG SER A 90 -1.939 -14.281 -6.283 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.007 -13.503 -3.263 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.627 -14.672 -2.668 1.00 0.00 C ATOM 1390 C GLY A 91 -6.278 -14.367 -1.333 1.00 0.00 C ATOM 1391 O GLY A 91 -7.406 -14.787 -1.075 1.00 0.00 O ATOM 0 H GLY A 91 -5.638 -12.717 -3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.377 -15.070 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.875 -15.449 -2.533 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.566 -13.635 -0.483 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.081 -13.274 0.832 1.00 0.00 C ATOM 1397 C ASP A 92 -6.257 -11.764 0.951 1.00 0.00 C ATOM 1398 O ASP A 92 -6.137 -11.197 2.038 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.140 -13.778 1.928 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.029 -15.290 1.945 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -4.323 -15.843 1.076 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -5.647 -15.920 2.829 1.00 0.00 O ATOM 0 H ASP A 92 -4.631 -13.280 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.056 -13.746 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.150 -13.346 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.498 -13.432 2.898 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.543 -11.116 -0.173 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.736 -9.671 -0.197 1.00 0.00 C ATOM 1409 C LYS A 93 -7.863 -9.258 0.744 1.00 0.00 C ATOM 1410 O LYS A 93 -7.915 -8.117 1.203 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.047 -9.201 -1.620 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.142 -9.814 -2.674 1.00 0.00 C ATOM 1413 CD LYS A 93 -5.918 -8.862 -3.838 1.00 0.00 C ATOM 1414 CE LYS A 93 -4.544 -9.057 -4.460 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.011 -7.790 -5.033 1.00 0.00 N ATOM 0 H LYS A 93 -6.646 -11.570 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.813 -9.200 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.083 -9.445 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.957 -8.116 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.183 -10.074 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.584 -10.741 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.687 -9.022 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.020 -7.833 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.853 -9.433 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.603 -9.813 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.827 -7.918 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.707 -7.029 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.125 -7.536 -4.551 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.763 -10.193 1.029 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.888 -9.927 1.918 1.00 0.00 C ATOM 1431 C LYS A 94 -9.433 -9.164 3.158 1.00 0.00 C ATOM 1432 O LYS A 94 -10.212 -8.432 3.768 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.559 -11.239 2.331 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.587 -11.738 1.330 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.868 -10.923 1.393 1.00 0.00 C ATOM 1436 CE LYS A 94 -13.791 -11.421 2.494 1.00 0.00 C ATOM 1437 NZ LYS A 94 -15.078 -10.672 2.519 1.00 0.00 N ATOM 0 H LYS A 94 -8.735 -11.142 0.657 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.608 -9.312 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.793 -12.003 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.043 -11.101 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.171 -11.687 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.811 -12.786 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.625 -9.875 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.382 -10.977 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.991 -12.482 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.293 -11.320 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.680 -11.041 3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.889 -9.663 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.565 -10.789 1.608 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.168 -9.340 3.524 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.610 -8.667 4.692 1.00 0.00 C ATOM 1453 C ASN A 95 -6.392 -7.832 4.307 1.00 0.00 C ATOM 1454 O ASN A 95 -5.271 -8.333 4.207 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.223 -9.691 5.761 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.430 -10.398 6.346 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -9.279 -9.776 6.985 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.512 -11.706 6.131 1.00 0.00 N ATOM 0 H ASN A 95 -7.510 -9.942 3.029 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.373 -8.001 5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.548 -10.429 5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.676 -9.190 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.302 -12.235 6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.785 -12.181 5.596 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.614 -6.528 4.087 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.547 -5.595 3.712 1.00 0.00 C ATOM 1467 C PRO A 96 -4.574 -5.337 4.857 1.00 0.00 C ATOM 1468 O PRO A 96 -4.978 -5.230 6.015 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.305 -4.314 3.354 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.578 -4.401 4.122 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.924 -5.863 4.188 1.00 0.00 C ATOM 0 HA PRO A 96 -4.933 -5.983 2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.736 -3.427 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.493 -4.251 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.460 -3.983 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.369 -3.835 3.631 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.432 -6.114 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.587 -6.156 3.374 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.291 -5.236 4.525 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.261 -4.989 5.527 1.00 0.00 C ATOM 1481 C ILE A 97 -1.728 -3.563 5.426 1.00 0.00 C ATOM 1482 O ILE A 97 -1.046 -3.210 4.464 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.087 -5.975 5.383 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.594 -7.417 5.444 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.050 -5.726 6.468 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.762 -8.385 4.631 1.00 0.00 C ATOM 0 H ILE A 97 -2.940 -5.321 3.571 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.727 -5.133 6.502 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.615 -5.816 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.607 -7.745 6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.624 -7.447 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.774 -6.431 6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.329 -4.708 6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.509 -5.861 7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.179 -9.388 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.769 -8.081 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.263 -8.384 5.002 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.042 -2.748 6.427 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.593 -1.361 6.454 1.00 0.00 C ATOM 1500 C LYS A 98 -0.204 -1.251 7.073 1.00 0.00 C ATOM 1501 O LYS A 98 0.097 -1.910 8.069 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.583 -0.499 7.241 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.181 0.964 7.327 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.395 1.870 7.436 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.991 3.319 7.660 1.00 0.00 C ATOM 1506 NZ LYS A 98 -4.175 4.216 7.765 1.00 0.00 N ATOM 0 H LYS A 98 -2.606 -3.024 7.231 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.543 -1.001 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.565 -0.570 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.680 -0.901 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.535 1.114 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.601 1.235 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.990 1.794 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.027 1.536 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.397 3.394 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.356 3.650 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.857 5.194 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.728 4.165 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.768 3.916 8.565 1.00 0.00 H new ATOM 1520 N PHE A 99 0.640 -0.414 6.478 1.00 0.00 N ATOM 1521 CA PHE A 99 1.998 -0.218 6.971 1.00 0.00 C ATOM 1522 C PHE A 99 2.036 0.870 8.040 1.00 0.00 C ATOM 1523 O PHE A 99 1.878 2.053 7.741 1.00 0.00 O ATOM 1524 CB PHE A 99 2.934 0.151 5.818 1.00 0.00 C ATOM 1525 CG PHE A 99 4.254 0.704 6.272 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.219 -0.128 6.816 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.531 2.057 6.154 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.436 0.378 7.234 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.745 2.568 6.570 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.699 1.728 7.112 1.00 0.00 C ATOM 0 H PHE A 99 0.407 0.139 5.653 1.00 0.00 H new ATOM 0 HA PHE A 99 2.335 -1.154 7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.111 -0.734 5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.441 0.885 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.018 -1.185 6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.789 2.719 5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.180 -0.282 7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.949 3.624 6.472 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.648 2.126 7.439 1.00 0.00 H new ATOM 1540 N GLU A 100 2.246 0.460 9.287 1.00 0.00 N ATOM 1541 CA GLU A 100 2.304 1.399 10.401 1.00 0.00 C ATOM 1542 C GLU A 100 3.696 1.418 11.025 1.00 0.00 C ATOM 1543 O GLU A 100 3.840 1.427 12.247 1.00 0.00 O ATOM 1544 CB GLU A 100 1.262 1.034 11.460 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.144 1.494 11.116 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.176 1.020 12.120 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -1.060 -0.132 12.590 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -2.099 1.799 12.437 1.00 0.00 O ATOM 0 H GLU A 100 2.379 -0.516 9.551 1.00 0.00 H new ATOM 0 HA GLU A 100 2.085 2.395 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.258 -0.048 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.556 1.474 12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.164 2.583 11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.410 1.125 10.125 1.00 0.00 H new ATOM 1583 N ARG A 104 8.448 6.558 7.173 1.00 0.00 N ATOM 1584 CA ARG A 104 8.035 6.230 5.814 1.00 0.00 C ATOM 1585 C ARG A 104 9.160 6.510 4.821 1.00 0.00 C ATOM 1586 O ARG A 104 9.129 7.506 4.098 1.00 0.00 O ATOM 1587 CB ARG A 104 6.790 7.032 5.429 1.00 0.00 C ATOM 1588 CG ARG A 104 5.486 6.363 5.832 1.00 0.00 C ATOM 1589 CD ARG A 104 4.281 7.174 5.382 1.00 0.00 C ATOM 1590 NE ARG A 104 3.862 8.139 6.396 1.00 0.00 N ATOM 1591 CZ ARG A 104 3.192 7.806 7.494 1.00 0.00 C ATOM 1592 NH1 ARG A 104 2.869 6.540 7.719 1.00 0.00 N ATOM 1593 NH2 ARG A 104 2.846 8.741 8.370 1.00 0.00 N ATOM 0 HA ARG A 104 7.799 5.166 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.843 8.016 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.789 7.190 4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.438 5.365 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.459 6.239 6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.522 7.700 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.454 6.501 5.158 1.00 0.00 H new ATOM 0 HE ARG A 104 4.097 9.121 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.135 5.819 7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.355 6.287 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.094 9.716 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.332 8.485 9.213 1.00 0.00 H new ATOM 1607 N ASP A 105 10.151 5.626 4.794 1.00 0.00 N ATOM 1608 CA ASP A 105 11.285 5.777 3.890 1.00 0.00 C ATOM 1609 C ASP A 105 11.424 4.558 2.983 1.00 0.00 C ATOM 1610 O ASP A 105 10.584 3.657 3.004 1.00 0.00 O ATOM 1611 CB ASP A 105 12.574 5.984 4.686 1.00 0.00 C ATOM 1612 CG ASP A 105 13.644 6.696 3.881 1.00 0.00 C ATOM 1613 OD1 ASP A 105 13.383 7.825 3.417 1.00 0.00 O ATOM 1614 OD2 ASP A 105 14.741 6.124 3.715 1.00 0.00 O ATOM 0 H ASP A 105 10.192 4.798 5.388 1.00 0.00 H new ATOM 0 HA ASP A 105 11.106 6.653 3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.354 6.562 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.954 5.017 5.014 1.00 0.00 H new ATOM 1619 N LEU A 106 12.487 4.537 2.188 1.00 0.00 N ATOM 1620 CA LEU A 106 12.736 3.429 1.272 1.00 0.00 C ATOM 1621 C LEU A 106 13.400 2.262 1.996 1.00 0.00 C ATOM 1622 O LEU A 106 13.581 1.187 1.425 1.00 0.00 O ATOM 1623 CB LEU A 106 13.616 3.890 0.109 1.00 0.00 C ATOM 1624 CG LEU A 106 13.655 2.968 -1.110 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.403 3.147 -1.955 1.00 0.00 C ATOM 1626 CD2 LEU A 106 14.902 3.234 -1.940 1.00 0.00 C ATOM 0 H LEU A 106 13.191 5.275 2.159 1.00 0.00 H new ATOM 0 HA LEU A 106 11.776 3.091 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.271 4.872 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.634 4.015 0.477 1.00 0.00 H new ATOM 0 HG LEU A 106 13.688 1.936 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.449 2.483 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.524 2.906 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.339 4.180 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.913 2.569 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.899 4.270 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.789 3.054 -1.332 1.00 0.00 H new ATOM 1638 N GLU A 107 13.760 2.482 3.257 1.00 0.00 N ATOM 1639 CA GLU A 107 14.403 1.448 4.059 1.00 0.00 C ATOM 1640 C GLU A 107 13.377 0.702 4.908 1.00 0.00 C ATOM 1641 O GLU A 107 13.486 -0.507 5.114 1.00 0.00 O ATOM 1642 CB GLU A 107 15.476 2.063 4.959 1.00 0.00 C ATOM 1643 CG GLU A 107 16.845 2.146 4.304 1.00 0.00 C ATOM 1644 CD GLU A 107 17.020 3.405 3.476 1.00 0.00 C ATOM 1645 OE1 GLU A 107 16.060 3.797 2.781 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.118 3.997 3.524 1.00 0.00 O ATOM 0 H GLU A 107 13.617 3.366 3.745 1.00 0.00 H new ATOM 0 HA GLU A 107 14.873 0.737 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.162 3.065 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.554 1.473 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.615 2.112 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.993 1.274 3.668 1.00 0.00 H new ATOM 1653 N HIS A 108 12.382 1.433 5.400 1.00 0.00 N ATOM 1654 CA HIS A 108 11.336 0.841 6.228 1.00 0.00 C ATOM 1655 C HIS A 108 10.215 0.274 5.363 1.00 0.00 C ATOM 1656 O HIS A 108 9.501 -0.641 5.775 1.00 0.00 O ATOM 1657 CB HIS A 108 10.773 1.882 7.196 1.00 0.00 C ATOM 1658 CG HIS A 108 11.525 1.967 8.488 1.00 0.00 C ATOM 1659 ND1 HIS A 108 10.920 2.256 9.693 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.840 1.798 8.760 1.00 0.00 C ATOM 1661 CE1 HIS A 108 11.831 2.262 10.650 1.00 0.00 C ATOM 1662 NE2 HIS A 108 13.004 1.986 10.110 1.00 0.00 N ATOM 0 H HIS A 108 12.278 2.435 5.240 1.00 0.00 H new ATOM 0 HA HIS A 108 11.777 0.025 6.800 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.785 2.859 6.713 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.731 1.644 7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.616 1.560 8.048 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.647 2.459 11.696 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.888 1.923 10.614 1.00 0.00 H new ATOM 1671 N LEU A 109 10.064 0.823 4.163 1.00 0.00 N ATOM 1672 CA LEU A 109 9.029 0.372 3.239 1.00 0.00 C ATOM 1673 C LEU A 109 9.360 -1.008 2.681 1.00 0.00 C ATOM 1674 O LEU A 109 8.501 -1.887 2.621 1.00 0.00 O ATOM 1675 CB LEU A 109 8.868 1.373 2.094 1.00 0.00 C ATOM 1676 CG LEU A 109 8.123 2.665 2.431 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.354 3.712 1.352 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.635 2.393 2.602 1.00 0.00 C ATOM 0 H LEU A 109 10.645 1.582 3.807 1.00 0.00 H new ATOM 0 HA LEU A 109 8.090 0.305 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.860 1.635 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.344 0.878 1.276 1.00 0.00 H new ATOM 0 HG LEU A 109 8.513 3.051 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.816 4.624 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.420 3.928 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.992 3.335 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.120 3.323 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.231 1.983 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.486 1.678 3.411 1.00 0.00 H new ATOM 1690 N SER A 110 10.613 -1.192 2.276 1.00 0.00 N ATOM 1691 CA SER A 110 11.058 -2.465 1.721 1.00 0.00 C ATOM 1692 C SER A 110 10.938 -3.580 2.756 1.00 0.00 C ATOM 1693 O SER A 110 10.731 -4.743 2.411 1.00 0.00 O ATOM 1694 CB SER A 110 12.505 -2.356 1.237 1.00 0.00 C ATOM 1695 OG SER A 110 13.357 -1.900 2.274 1.00 0.00 O ATOM 0 H SER A 110 11.338 -0.476 2.322 1.00 0.00 H new ATOM 0 HA SER A 110 10.417 -2.709 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.847 -3.328 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.558 -1.671 0.391 1.00 0.00 H new ATOM 0 HG SER A 110 13.518 -0.939 2.166 1.00 0.00 H new ATOM 1701 N LYS A 111 11.070 -3.215 4.027 1.00 0.00 N ATOM 1702 CA LYS A 111 10.976 -4.182 5.114 1.00 0.00 C ATOM 1703 C LYS A 111 9.522 -4.551 5.390 1.00 0.00 C ATOM 1704 O LYS A 111 9.239 -5.519 6.097 1.00 0.00 O ATOM 1705 CB LYS A 111 11.619 -3.618 6.383 1.00 0.00 C ATOM 1706 CG LYS A 111 13.115 -3.389 6.256 1.00 0.00 C ATOM 1707 CD LYS A 111 13.639 -2.494 7.366 1.00 0.00 C ATOM 1708 CE LYS A 111 13.620 -3.205 8.711 1.00 0.00 C ATOM 1709 NZ LYS A 111 14.224 -2.372 9.787 1.00 0.00 N ATOM 0 H LYS A 111 11.242 -2.256 4.329 1.00 0.00 H new ATOM 0 HA LYS A 111 11.510 -5.083 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.136 -2.675 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.434 -4.304 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.634 -4.347 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.334 -2.936 5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.657 -2.181 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.033 -1.590 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.592 -3.452 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.164 -4.146 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.192 -2.891 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.213 -2.157 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.690 -1.485 9.880 1.00 0.00 H new ATOM 1723 N PHE A 112 8.602 -3.774 4.827 1.00 0.00 N ATOM 1724 CA PHE A 112 7.176 -4.020 5.012 1.00 0.00 C ATOM 1725 C PHE A 112 6.621 -4.879 3.879 1.00 0.00 C ATOM 1726 O PHE A 112 5.730 -5.702 4.091 1.00 0.00 O ATOM 1727 CB PHE A 112 6.414 -2.695 5.083 1.00 0.00 C ATOM 1728 CG PHE A 112 4.947 -2.832 4.790 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.475 -2.742 3.491 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.040 -3.049 5.815 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.125 -2.866 3.220 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.690 -3.175 5.550 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.232 -3.084 4.250 1.00 0.00 C ATOM 0 H PHE A 112 8.818 -2.969 4.239 1.00 0.00 H new ATOM 0 HA PHE A 112 7.044 -4.558 5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.540 -2.265 6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.854 -1.993 4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.169 -2.573 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.393 -3.120 6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.769 -2.792 2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.994 -3.344 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.177 -3.183 4.040 1.00 0.00 H new ATOM 1743 N ILE A 113 7.154 -4.681 2.679 1.00 0.00 N ATOM 1744 CA ILE A 113 6.713 -5.438 1.513 1.00 0.00 C ATOM 1745 C ILE A 113 7.160 -6.893 1.601 1.00 0.00 C ATOM 1746 O ILE A 113 6.341 -7.796 1.772 1.00 0.00 O ATOM 1747 CB ILE A 113 7.251 -4.825 0.207 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.598 -3.465 -0.050 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.003 -5.767 -0.962 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.318 -2.637 -1.092 1.00 0.00 C ATOM 0 H ILE A 113 7.892 -4.003 2.488 1.00 0.00 H new ATOM 0 HA ILE A 113 5.624 -5.395 1.503 1.00 0.00 H new ATOM 0 HB ILE A 113 8.326 -4.678 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.567 -3.620 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.561 -2.906 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.389 -5.320 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.510 -6.715 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.932 -5.943 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.800 -1.687 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.341 -2.451 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.332 -3.176 -2.039 1.00 0.00 H new ATOM 1762 N ASP A 114 8.465 -7.113 1.484 1.00 0.00 N ATOM 1763 CA ASP A 114 9.023 -8.458 1.553 1.00 0.00 C ATOM 1764 C ASP A 114 8.248 -9.318 2.547 1.00 0.00 C ATOM 1765 O ASP A 114 7.813 -10.421 2.220 1.00 0.00 O ATOM 1766 CB ASP A 114 10.499 -8.402 1.950 1.00 0.00 C ATOM 1767 CG ASP A 114 11.180 -9.752 1.842 1.00 0.00 C ATOM 1768 OD1 ASP A 114 10.686 -10.605 1.075 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.206 -9.956 2.524 1.00 0.00 O ATOM 0 H ASP A 114 9.156 -6.377 1.341 1.00 0.00 H new ATOM 0 HA ASP A 114 8.938 -8.911 0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.017 -7.685 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 114 10.583 -8.037 2.974 1.00 0.00 H new ATOM 1774 N GLU A 115 8.082 -8.804 3.762 1.00 0.00 N ATOM 1775 CA GLU A 115 7.361 -9.526 4.803 1.00 0.00 C ATOM 1776 C GLU A 115 6.069 -10.125 4.256 1.00 0.00 C ATOM 1777 O GLU A 115 5.756 -11.290 4.506 1.00 0.00 O ATOM 1778 CB GLU A 115 7.048 -8.596 5.977 1.00 0.00 C ATOM 1779 CG GLU A 115 8.196 -8.450 6.962 1.00 0.00 C ATOM 1780 CD GLU A 115 8.871 -9.772 7.270 1.00 0.00 C ATOM 1781 OE1 GLU A 115 8.388 -10.490 8.170 1.00 0.00 O ATOM 1782 OE2 GLU A 115 9.883 -10.090 6.611 1.00 0.00 O ATOM 0 H GLU A 115 8.437 -7.892 4.049 1.00 0.00 H new ATOM 0 HA GLU A 115 7.998 -10.339 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.786 -7.612 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.173 -8.974 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.932 -7.756 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.822 -8.013 7.888 1.00 0.00 H new ATOM 1789 N HIS A 116 5.321 -9.321 3.507 1.00 0.00 N ATOM 1790 CA HIS A 116 4.063 -9.770 2.924 1.00 0.00 C ATOM 1791 C HIS A 116 4.299 -10.444 1.575 1.00 0.00 C ATOM 1792 O HIS A 116 3.461 -11.208 1.097 1.00 0.00 O ATOM 1793 CB HIS A 116 3.103 -8.591 2.757 1.00 0.00 C ATOM 1794 CG HIS A 116 2.920 -7.787 4.007 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.449 -8.325 5.186 1.00 0.00 N ATOM 1796 CD2 HIS A 116 3.149 -6.477 4.259 1.00 0.00 C ATOM 1797 CE1 HIS A 116 2.394 -7.381 6.108 1.00 0.00 C ATOM 1798 NE2 HIS A 116 2.815 -6.250 5.571 1.00 0.00 N ATOM 0 H HIS A 116 5.565 -8.355 3.290 1.00 0.00 H new ATOM 0 HA HIS A 116 3.617 -10.498 3.602 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.475 -7.939 1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.133 -8.966 2.431 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.525 -5.746 3.558 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.062 -7.512 7.127 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.881 -5.353 6.053 1.00 0.00 H new