USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 669 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 Single : A 1 ILE N :NH3+ -126:sc= 0.513 (180deg=-3.08!) USER MOD Single : A 6 THR OG1 : rot -175:sc= 0.558 USER MOD Single : A 10 THR OG1 : rot -163:sc= -1.16 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0851 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 21 TYR OH : rot 65:sc= -5.06! USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.62 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 85:sc= 1.31 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= -0.463 (180deg=-0.556) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.276 USER MOD Single : A 47 THR OG1 : rot 11:sc= -2.29 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.963 USER MOD Single : A 59 THR OG1 : rot 18:sc= 0.387 USER MOD Single : A 61 ASN : amide:sc= -0.684 K(o=-0.68,f=-2.4) USER MOD Single : A 63 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc=-0.00623 (180deg=-0.102) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.049) USER MOD Single : B 189 TYR OH : rot 6:sc= -1.11 USER MOD Single : B 190 TYR OH : rot 180:sc= 0 USER MOD Single : B 191 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 THR OG1 : rot 150:sc= 0.341 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.798 8.282 7.005 1.00 0.00 N ATOM 2 CA ILE A 1 4.341 9.662 6.689 1.00 0.00 C ATOM 3 C ILE A 1 4.185 9.857 5.184 1.00 0.00 C ATOM 4 O ILE A 1 5.051 10.443 4.533 1.00 0.00 O ATOM 5 CB ILE A 1 5.328 10.716 7.230 1.00 0.00 C ATOM 6 CG1 ILE A 1 5.662 10.435 8.699 1.00 0.00 C ATOM 7 CG2 ILE A 1 4.751 12.114 7.069 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.146 10.434 8.991 1.00 0.00 C ATOM 0 H1 ILE A 1 4.145 7.848 7.688 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.816 7.714 6.134 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.753 8.318 7.414 1.00 0.00 H new ATOM 0 HA ILE A 1 3.374 9.795 7.173 1.00 0.00 H new ATOM 0 HB ILE A 1 6.250 10.656 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 1 5.177 11.186 9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 1 5.244 9.468 8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.459 12.847 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.565 12.311 6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.815 12.187 7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 1 7.308 10.229 10.049 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.634 9.664 8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.567 11.408 8.742 1.00 0.00 H new ATOM 22 N ARG A 2 3.074 9.362 4.637 1.00 0.00 N ATOM 23 CA ARG A 2 2.796 9.476 3.204 1.00 0.00 C ATOM 24 C ARG A 2 4.047 9.192 2.377 1.00 0.00 C ATOM 25 O ARG A 2 4.791 10.108 2.024 1.00 0.00 O ATOM 26 CB ARG A 2 2.250 10.868 2.871 1.00 0.00 C ATOM 27 CG ARG A 2 3.033 12.005 3.509 1.00 0.00 C ATOM 28 CD ARG A 2 2.488 13.361 3.091 1.00 0.00 C ATOM 29 NE ARG A 2 2.578 14.345 4.167 1.00 0.00 N ATOM 30 CZ ARG A 2 1.931 14.240 5.326 1.00 0.00 C ATOM 31 NH1 ARG A 2 1.139 13.201 5.563 1.00 0.00 N ATOM 32 NH2 ARG A 2 2.074 15.180 6.251 1.00 0.00 N ATOM 0 H ARG A 2 2.350 8.877 5.166 1.00 0.00 H new ATOM 0 HA ARG A 2 2.042 8.731 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.253 11.000 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.211 10.928 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.990 11.913 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.082 11.930 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.041 13.722 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.448 13.254 2.784 1.00 0.00 H new ATOM 0 HE ARG A 2 3.172 15.161 4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.023 12.476 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.647 13.128 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.679 15.982 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.579 15.101 7.139 1.00 0.00 H new ATOM 46 N CYS A 3 4.281 7.917 2.081 1.00 0.00 N ATOM 47 CA CYS A 3 5.450 7.518 1.309 1.00 0.00 C ATOM 48 C CYS A 3 5.122 7.401 -0.180 1.00 0.00 C ATOM 49 O CYS A 3 5.907 7.822 -1.028 1.00 0.00 O ATOM 50 CB CYS A 3 6.017 6.198 1.858 1.00 0.00 C ATOM 51 SG CYS A 3 5.492 4.693 0.967 1.00 0.00 S ATOM 0 H CYS A 3 3.677 7.145 2.364 1.00 0.00 H new ATOM 0 HA CYS A 3 6.210 8.293 1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.105 6.252 1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.724 6.102 2.903 1.00 0.00 H new ATOM 56 N PHE A 4 3.962 6.827 -0.492 1.00 0.00 N ATOM 57 CA PHE A 4 3.541 6.657 -1.881 1.00 0.00 C ATOM 58 C PHE A 4 2.093 7.113 -2.072 1.00 0.00 C ATOM 59 O PHE A 4 1.839 8.247 -2.476 1.00 0.00 O ATOM 60 CB PHE A 4 3.702 5.192 -2.311 1.00 0.00 C ATOM 61 CG PHE A 4 4.581 5.003 -3.515 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.822 5.611 -3.589 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.162 4.211 -4.571 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.632 5.433 -4.694 1.00 0.00 C ATOM 65 CE2 PHE A 4 4.967 4.029 -5.680 1.00 0.00 C ATOM 66 CZ PHE A 4 6.203 4.641 -5.742 1.00 0.00 C ATOM 0 H PHE A 4 3.298 6.472 0.196 1.00 0.00 H new ATOM 0 HA PHE A 4 4.178 7.279 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.116 4.623 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.717 4.776 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.161 6.232 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.196 3.730 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.599 5.912 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.629 3.409 -6.497 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.833 4.501 -6.608 1.00 0.00 H new ATOM 76 N ILE A 5 1.150 6.222 -1.776 1.00 0.00 N ATOM 77 CA ILE A 5 -0.270 6.525 -1.913 1.00 0.00 C ATOM 78 C ILE A 5 -1.066 5.900 -0.769 1.00 0.00 C ATOM 79 O ILE A 5 -1.960 5.084 -0.993 1.00 0.00 O ATOM 80 CB ILE A 5 -0.840 6.010 -3.255 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.226 6.046 -4.355 1.00 0.00 C ATOM 82 CG2 ILE A 5 -2.056 6.830 -3.662 1.00 0.00 C ATOM 83 CD1 ILE A 5 0.623 7.445 -4.772 1.00 0.00 C ATOM 0 H ILE A 5 1.346 5.280 -1.438 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.366 7.610 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.147 4.973 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.112 5.515 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.146 5.508 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.447 6.456 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.825 6.747 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.769 7.875 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.381 7.390 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.252 7.974 -5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.026 7.980 -3.912 1.00 0.00 H new ATOM 95 N THR A 6 -0.729 6.283 0.459 1.00 0.00 N ATOM 96 CA THR A 6 -1.406 5.756 1.641 1.00 0.00 C ATOM 97 C THR A 6 -1.063 4.282 1.851 1.00 0.00 C ATOM 98 O THR A 6 -0.931 3.525 0.890 1.00 0.00 O ATOM 99 CB THR A 6 -2.921 5.929 1.515 1.00 0.00 C ATOM 100 OG1 THR A 6 -3.235 6.933 0.566 1.00 0.00 O ATOM 101 CG2 THR A 6 -3.588 6.306 2.820 1.00 0.00 C ATOM 0 H THR A 6 0.009 6.957 0.662 1.00 0.00 H new ATOM 0 HA THR A 6 -1.059 6.320 2.507 1.00 0.00 H new ATOM 0 HB THR A 6 -3.298 4.957 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.204 7.078 0.551 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.661 6.413 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.406 5.527 3.560 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.178 7.250 3.179 1.00 0.00 H new ATOM 109 N PRO A 7 -0.910 3.854 3.117 1.00 0.00 N ATOM 110 CA PRO A 7 -0.576 2.467 3.449 1.00 0.00 C ATOM 111 C PRO A 7 -1.791 1.547 3.429 1.00 0.00 C ATOM 112 O PRO A 7 -2.743 1.748 4.182 1.00 0.00 O ATOM 113 CB PRO A 7 -0.030 2.586 4.868 1.00 0.00 C ATOM 114 CG PRO A 7 -0.786 3.726 5.458 1.00 0.00 C ATOM 115 CD PRO A 7 -1.043 4.690 4.327 1.00 0.00 C ATOM 0 HA PRO A 7 0.117 2.029 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.189 1.668 5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.043 2.778 4.867 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.722 3.385 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.213 4.203 6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.035 5.136 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.324 5.510 4.328 1.00 0.00 H new ATOM 123 N ASP A 8 -1.750 0.532 2.569 1.00 0.00 N ATOM 124 CA ASP A 8 -2.848 -0.423 2.460 1.00 0.00 C ATOM 125 C ASP A 8 -4.152 0.287 2.096 1.00 0.00 C ATOM 126 O ASP A 8 -4.512 0.376 0.922 1.00 0.00 O ATOM 127 CB ASP A 8 -3.004 -1.194 3.776 1.00 0.00 C ATOM 128 CG ASP A 8 -1.766 -1.997 4.123 1.00 0.00 C ATOM 129 OD1 ASP A 8 -1.050 -2.417 3.190 1.00 0.00 O ATOM 130 OD2 ASP A 8 -1.512 -2.205 5.328 1.00 0.00 O ATOM 0 H ASP A 8 -0.969 0.350 1.939 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.616 -1.129 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.217 -0.492 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.860 -1.864 3.702 1.00 0.00 H new ATOM 135 N ILE A 9 -4.847 0.805 3.106 1.00 0.00 N ATOM 136 CA ILE A 9 -6.098 1.522 2.893 1.00 0.00 C ATOM 137 C ILE A 9 -5.886 2.689 1.929 1.00 0.00 C ATOM 138 O ILE A 9 -4.760 3.150 1.743 1.00 0.00 O ATOM 139 CB ILE A 9 -6.646 2.074 4.221 1.00 0.00 C ATOM 140 CG1 ILE A 9 -6.822 0.944 5.230 1.00 0.00 C ATOM 141 CG2 ILE A 9 -7.964 2.794 3.990 1.00 0.00 C ATOM 142 CD1 ILE A 9 -5.652 0.781 6.174 1.00 0.00 C ATOM 0 H ILE A 9 -4.562 0.740 4.083 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.814 0.818 2.470 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.930 2.789 4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.724 1.127 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.975 0.009 4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.339 3.179 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.810 3.622 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.689 2.098 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.851 -0.041 6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.750 0.566 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.511 1.701 6.741 1.00 0.00 H new ATOM 154 N THR A 10 -6.967 3.172 1.328 1.00 0.00 N ATOM 155 CA THR A 10 -6.882 4.293 0.399 1.00 0.00 C ATOM 156 C THR A 10 -6.604 5.592 1.146 1.00 0.00 C ATOM 157 O THR A 10 -5.687 6.337 0.802 1.00 0.00 O ATOM 158 CB THR A 10 -8.179 4.427 -0.397 1.00 0.00 C ATOM 159 OG1 THR A 10 -9.234 4.873 0.435 1.00 0.00 O ATOM 160 CG2 THR A 10 -8.619 3.135 -1.047 1.00 0.00 C ATOM 0 H THR A 10 -7.909 2.807 1.466 1.00 0.00 H new ATOM 0 HA THR A 10 -6.059 4.098 -0.289 1.00 0.00 H new ATOM 0 HB THR A 10 -7.963 5.152 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.093 4.696 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.546 3.301 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.846 2.792 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.783 2.379 -0.279 1.00 0.00 H new ATOM 168 N SER A 11 -7.408 5.855 2.172 1.00 0.00 N ATOM 169 CA SER A 11 -7.259 7.064 2.974 1.00 0.00 C ATOM 170 C SER A 11 -6.394 6.799 4.202 1.00 0.00 C ATOM 171 O SER A 11 -5.843 5.710 4.362 1.00 0.00 O ATOM 172 CB SER A 11 -8.631 7.585 3.408 1.00 0.00 C ATOM 173 OG SER A 11 -8.573 8.962 3.738 1.00 0.00 O ATOM 0 H SER A 11 -8.171 5.246 2.468 1.00 0.00 H new ATOM 0 HA SER A 11 -6.767 7.819 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.353 7.430 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.984 7.016 4.268 1.00 0.00 H new ATOM 0 HG SER A 11 -9.462 9.271 4.010 1.00 0.00 H new ATOM 179 N LYS A 12 -6.278 7.803 5.065 1.00 0.00 N ATOM 180 CA LYS A 12 -5.476 7.682 6.277 1.00 0.00 C ATOM 181 C LYS A 12 -4.003 7.490 5.930 1.00 0.00 C ATOM 182 O LYS A 12 -3.579 6.395 5.560 1.00 0.00 O ATOM 183 CB LYS A 12 -5.973 6.514 7.135 1.00 0.00 C ATOM 184 CG LYS A 12 -6.803 6.951 8.330 1.00 0.00 C ATOM 185 CD LYS A 12 -5.954 7.669 9.366 1.00 0.00 C ATOM 186 CE LYS A 12 -6.767 8.690 10.144 1.00 0.00 C ATOM 187 NZ LYS A 12 -5.914 9.784 10.683 1.00 0.00 N ATOM 0 H LYS A 12 -6.730 8.710 4.947 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.581 8.604 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.569 5.845 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.115 5.942 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.605 7.609 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.274 6.080 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.527 6.941 10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.120 8.167 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.534 9.114 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.283 8.193 10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.506 10.460 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.198 9.383 11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.441 10.275 9.897 1.00 0.00 H new ATOM 201 N ASP A 13 -3.231 8.565 6.047 1.00 0.00 N ATOM 202 CA ASP A 13 -1.805 8.521 5.740 1.00 0.00 C ATOM 203 C ASP A 13 -1.068 7.585 6.692 1.00 0.00 C ATOM 204 O ASP A 13 -1.576 7.240 7.759 1.00 0.00 O ATOM 205 CB ASP A 13 -1.202 9.925 5.816 1.00 0.00 C ATOM 206 CG ASP A 13 -1.525 10.759 4.592 1.00 0.00 C ATOM 207 OD1 ASP A 13 -1.241 10.297 3.467 1.00 0.00 O ATOM 208 OD2 ASP A 13 -2.061 11.875 4.759 1.00 0.00 O ATOM 0 H ASP A 13 -3.568 9.478 6.352 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.691 8.138 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.576 10.431 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.120 9.848 5.925 1.00 0.00 H new ATOM 213 N CYS A 14 0.134 7.178 6.297 1.00 0.00 N ATOM 214 CA CYS A 14 0.946 6.283 7.112 1.00 0.00 C ATOM 215 C CYS A 14 1.655 7.056 8.224 1.00 0.00 C ATOM 216 O CYS A 14 2.415 7.984 7.952 1.00 0.00 O ATOM 217 CB CYS A 14 1.974 5.562 6.237 1.00 0.00 C ATOM 218 SG CYS A 14 2.799 4.157 7.053 1.00 0.00 S ATOM 0 H CYS A 14 0.567 7.455 5.416 1.00 0.00 H new ATOM 0 HA CYS A 14 0.288 5.545 7.571 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.478 5.203 5.335 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.731 6.279 5.921 1.00 0.00 H new ATOM 223 N PRO A 15 1.410 6.690 9.497 1.00 0.00 N ATOM 224 CA PRO A 15 2.023 7.360 10.642 1.00 0.00 C ATOM 225 C PRO A 15 3.394 6.791 11.004 1.00 0.00 C ATOM 226 O PRO A 15 3.873 6.974 12.123 1.00 0.00 O ATOM 227 CB PRO A 15 1.022 7.081 11.757 1.00 0.00 C ATOM 228 CG PRO A 15 0.463 5.737 11.429 1.00 0.00 C ATOM 229 CD PRO A 15 0.508 5.603 9.925 1.00 0.00 C ATOM 0 HA PRO A 15 2.209 8.417 10.449 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.505 7.082 12.734 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.240 7.840 11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.046 4.949 11.905 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.559 5.643 11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.887 4.627 9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.483 5.710 9.485 1.00 0.00 H new ATOM 237 N ASN A 16 4.023 6.100 10.057 1.00 0.00 N ATOM 238 CA ASN A 16 5.336 5.512 10.292 1.00 0.00 C ATOM 239 C ASN A 16 5.959 5.029 8.986 1.00 0.00 C ATOM 240 O ASN A 16 5.504 4.051 8.394 1.00 0.00 O ATOM 241 CB ASN A 16 5.227 4.349 11.279 1.00 0.00 C ATOM 242 CG ASN A 16 6.580 3.769 11.640 1.00 0.00 C ATOM 243 OD1 ASN A 16 6.974 2.719 11.132 1.00 0.00 O ATOM 244 ND2 ASN A 16 7.301 4.452 12.522 1.00 0.00 N ATOM 0 H ASN A 16 3.646 5.935 9.124 1.00 0.00 H new ATOM 0 HA ASN A 16 5.980 6.282 10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.728 4.691 12.186 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.603 3.567 10.847 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.220 4.111 12.803 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.936 5.318 12.918 1.00 0.00 H new ATOM 251 N GLY A 17 7.004 5.721 8.543 1.00 0.00 N ATOM 252 CA GLY A 17 7.673 5.347 7.311 1.00 0.00 C ATOM 253 C GLY A 17 8.646 6.406 6.833 1.00 0.00 C ATOM 254 O GLY A 17 8.288 7.273 6.035 1.00 0.00 O ATOM 0 H GLY A 17 7.399 6.534 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.207 4.409 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.927 5.168 6.537 1.00 0.00 H new ATOM 258 N HIS A 18 9.881 6.336 7.319 1.00 0.00 N ATOM 259 CA HIS A 18 10.910 7.296 6.935 1.00 0.00 C ATOM 260 C HIS A 18 11.285 7.132 5.465 1.00 0.00 C ATOM 261 O HIS A 18 11.694 8.090 4.808 1.00 0.00 O ATOM 262 CB HIS A 18 12.152 7.126 7.811 1.00 0.00 C ATOM 263 CG HIS A 18 13.222 8.137 7.533 1.00 0.00 C ATOM 264 ND1 HIS A 18 14.567 7.832 7.543 1.00 0.00 N ATOM 265 CD2 HIS A 18 13.139 9.455 7.234 1.00 0.00 C ATOM 266 CE1 HIS A 18 15.265 8.919 7.263 1.00 0.00 C ATOM 267 NE2 HIS A 18 14.422 9.917 7.071 1.00 0.00 N ATOM 0 H HIS A 18 10.194 5.624 7.980 1.00 0.00 H new ATOM 0 HA HIS A 18 10.507 8.298 7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.860 7.196 8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 18 12.560 6.126 7.660 1.00 0.00 H new ATOM 0 HD2 HIS A 18 12.233 10.035 7.141 1.00 0.00 H new ATOM 0 HE1 HIS A 18 16.342 8.980 7.202 1.00 0.00 H new ATOM 0 HE2 HIS A 18 14.682 10.876 6.839 1.00 0.00 H new ATOM 276 N VAL A 19 11.139 5.914 4.954 1.00 0.00 N ATOM 277 CA VAL A 19 11.458 5.625 3.560 1.00 0.00 C ATOM 278 C VAL A 19 10.358 4.788 2.923 1.00 0.00 C ATOM 279 O VAL A 19 9.975 3.750 3.462 1.00 0.00 O ATOM 280 CB VAL A 19 12.806 4.874 3.409 1.00 0.00 C ATOM 281 CG1 VAL A 19 13.835 5.760 2.726 1.00 0.00 C ATOM 282 CG2 VAL A 19 13.325 4.397 4.760 1.00 0.00 C ATOM 0 H VAL A 19 10.802 5.111 5.484 1.00 0.00 H new ATOM 0 HA VAL A 19 11.541 6.587 3.054 1.00 0.00 H new ATOM 0 HB VAL A 19 12.634 3.996 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.775 5.217 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.474 6.041 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.995 6.658 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.271 3.874 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.477 5.255 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.599 3.720 5.210 1.00 0.00 H new ATOM 292 N CYS A 20 9.855 5.232 1.774 1.00 0.00 N ATOM 293 CA CYS A 20 8.808 4.494 1.083 1.00 0.00 C ATOM 294 C CYS A 20 9.343 3.149 0.629 1.00 0.00 C ATOM 295 O CYS A 20 9.708 2.961 -0.532 1.00 0.00 O ATOM 296 CB CYS A 20 8.269 5.279 -0.109 1.00 0.00 C ATOM 297 SG CYS A 20 6.653 4.684 -0.699 1.00 0.00 S ATOM 0 H CYS A 20 10.153 6.089 1.308 1.00 0.00 H new ATOM 0 HA CYS A 20 7.983 4.339 1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.182 6.330 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.988 5.223 -0.926 1.00 0.00 H new ATOM 302 N TYR A 21 9.400 2.227 1.572 1.00 0.00 N ATOM 303 CA TYR A 21 9.904 0.888 1.321 1.00 0.00 C ATOM 304 C TYR A 21 8.970 0.097 0.419 1.00 0.00 C ATOM 305 O TYR A 21 8.073 -0.598 0.895 1.00 0.00 O ATOM 306 CB TYR A 21 10.087 0.159 2.653 1.00 0.00 C ATOM 307 CG TYR A 21 11.252 -0.798 2.676 1.00 0.00 C ATOM 308 CD1 TYR A 21 12.406 -0.538 1.952 1.00 0.00 C ATOM 309 CD2 TYR A 21 11.195 -1.964 3.424 1.00 0.00 C ATOM 310 CE1 TYR A 21 13.472 -1.412 1.971 1.00 0.00 C ATOM 311 CE2 TYR A 21 12.257 -2.846 3.450 1.00 0.00 C ATOM 312 CZ TYR A 21 13.394 -2.564 2.720 1.00 0.00 C ATOM 313 OH TYR A 21 14.457 -3.436 2.745 1.00 0.00 O ATOM 0 H TYR A 21 9.098 2.384 2.534 1.00 0.00 H new ATOM 0 HA TYR A 21 10.862 0.973 0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.221 0.897 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.174 -0.391 2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.471 0.365 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.306 -2.186 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.363 -1.194 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.198 -3.750 4.037 1.00 0.00 H new ATOM 0 HH TYR A 21 15.227 -3.001 3.168 1.00 0.00 H new ATOM 323 N THR A 22 9.195 0.188 -0.885 1.00 0.00 N ATOM 324 CA THR A 22 8.370 -0.543 -1.838 1.00 0.00 C ATOM 325 C THR A 22 8.678 -2.029 -1.760 1.00 0.00 C ATOM 326 O THR A 22 9.425 -2.569 -2.576 1.00 0.00 O ATOM 327 CB THR A 22 8.588 -0.027 -3.260 1.00 0.00 C ATOM 328 OG1 THR A 22 9.006 1.327 -3.247 1.00 0.00 O ATOM 329 CG2 THR A 22 7.348 -0.114 -4.124 1.00 0.00 C ATOM 0 H THR A 22 9.933 0.754 -1.304 1.00 0.00 H new ATOM 0 HA THR A 22 7.323 -0.384 -1.580 1.00 0.00 H new ATOM 0 HB THR A 22 9.356 -0.673 -3.685 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.966 1.371 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.571 0.268 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.028 -1.153 -4.197 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.551 0.481 -3.678 1.00 0.00 H new ATOM 337 N LYS A 23 8.101 -2.677 -0.759 1.00 0.00 N ATOM 338 CA LYS A 23 8.309 -4.103 -0.542 1.00 0.00 C ATOM 339 C LYS A 23 7.366 -4.935 -1.403 1.00 0.00 C ATOM 340 O LYS A 23 6.159 -4.696 -1.427 1.00 0.00 O ATOM 341 CB LYS A 23 8.106 -4.445 0.934 1.00 0.00 C ATOM 342 CG LYS A 23 8.449 -5.885 1.278 1.00 0.00 C ATOM 343 CD LYS A 23 9.321 -5.970 2.521 1.00 0.00 C ATOM 344 CE LYS A 23 8.893 -7.114 3.426 1.00 0.00 C ATOM 345 NZ LYS A 23 9.194 -6.833 4.857 1.00 0.00 N ATOM 0 H LYS A 23 7.481 -2.236 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 23 9.333 -4.342 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.720 -3.779 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.067 -4.254 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.531 -6.450 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.966 -6.347 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.362 -6.107 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.266 -5.030 3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.824 -7.290 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.402 -8.028 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.887 -7.637 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.217 -6.690 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.688 -5.975 5.156 1.00 0.00 H new ATOM 359 N THR A 24 7.922 -5.921 -2.102 1.00 0.00 N ATOM 360 CA THR A 24 7.127 -6.793 -2.953 1.00 0.00 C ATOM 361 C THR A 24 7.452 -8.248 -2.670 1.00 0.00 C ATOM 362 O THR A 24 8.016 -8.956 -3.503 1.00 0.00 O ATOM 363 CB THR A 24 7.359 -6.471 -4.430 1.00 0.00 C ATOM 364 OG1 THR A 24 7.777 -5.127 -4.590 1.00 0.00 O ATOM 365 CG2 THR A 24 6.130 -6.675 -5.288 1.00 0.00 C ATOM 0 H THR A 24 8.920 -6.134 -2.094 1.00 0.00 H new ATOM 0 HA THR A 24 6.074 -6.621 -2.729 1.00 0.00 H new ATOM 0 HB THR A 24 8.131 -7.167 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.747 -5.069 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.364 -6.429 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.811 -7.716 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.327 -6.028 -4.934 1.00 0.00 H new ATOM 373 N TRP A 25 7.079 -8.676 -1.478 1.00 0.00 N ATOM 374 CA TRP A 25 7.307 -10.047 -1.038 1.00 0.00 C ATOM 375 C TRP A 25 5.999 -10.734 -0.741 1.00 0.00 C ATOM 376 O TRP A 25 5.815 -11.924 -0.995 1.00 0.00 O ATOM 377 CB TRP A 25 8.170 -10.072 0.219 1.00 0.00 C ATOM 378 CG TRP A 25 8.318 -11.436 0.828 1.00 0.00 C ATOM 379 CD1 TRP A 25 8.341 -11.736 2.159 1.00 0.00 C ATOM 380 CD2 TRP A 25 8.468 -12.682 0.133 1.00 0.00 C ATOM 381 NE1 TRP A 25 8.491 -13.090 2.335 1.00 0.00 N ATOM 382 CE2 TRP A 25 8.572 -13.692 1.108 1.00 0.00 C ATOM 383 CE3 TRP A 25 8.523 -13.043 -1.218 1.00 0.00 C ATOM 384 CZ2 TRP A 25 8.727 -15.036 0.775 1.00 0.00 C ATOM 385 CZ3 TRP A 25 8.678 -14.377 -1.545 1.00 0.00 C ATOM 386 CH2 TRP A 25 8.777 -15.359 -0.553 1.00 0.00 C ATOM 0 H TRP A 25 6.611 -8.089 -0.788 1.00 0.00 H new ATOM 0 HA TRP A 25 7.820 -10.571 -1.844 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.159 -9.684 -0.024 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.736 -9.399 0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.254 -11.014 2.958 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.535 -13.569 3.234 1.00 0.00 H new ATOM 0 HE3 TRP A 25 8.446 -12.293 -1.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.805 -15.796 1.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.724 -14.667 -2.584 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.895 -16.393 -0.842 1.00 0.00 H new ATOM 397 N CYS A 26 5.114 -9.959 -0.167 1.00 0.00 N ATOM 398 CA CYS A 26 3.805 -10.433 0.232 1.00 0.00 C ATOM 399 C CYS A 26 3.919 -11.345 1.451 1.00 0.00 C ATOM 400 O CYS A 26 2.940 -11.976 1.850 1.00 0.00 O ATOM 401 CB CYS A 26 3.113 -11.165 -0.923 1.00 0.00 C ATOM 402 SG CYS A 26 1.668 -10.283 -1.593 1.00 0.00 S ATOM 0 H CYS A 26 5.279 -8.974 0.040 1.00 0.00 H new ATOM 0 HA CYS A 26 3.196 -9.569 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.834 -11.323 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.798 -12.150 -0.579 1.00 0.00 H new ATOM 407 N ASP A 27 5.118 -11.417 2.051 1.00 0.00 N ATOM 408 CA ASP A 27 5.315 -12.262 3.225 1.00 0.00 C ATOM 409 C ASP A 27 4.878 -13.699 2.946 1.00 0.00 C ATOM 410 O ASP A 27 4.506 -14.434 3.861 1.00 0.00 O ATOM 411 CB ASP A 27 4.533 -11.704 4.416 1.00 0.00 C ATOM 412 CG ASP A 27 5.160 -12.075 5.746 1.00 0.00 C ATOM 413 OD1 ASP A 27 6.227 -11.515 6.076 1.00 0.00 O ATOM 414 OD2 ASP A 27 4.585 -12.924 6.457 1.00 0.00 O ATOM 0 H ASP A 27 5.947 -10.908 1.745 1.00 0.00 H new ATOM 0 HA ASP A 27 6.379 -12.265 3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.478 -10.618 4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.510 -12.079 4.383 1.00 0.00 H new ATOM 419 N ALA A 28 4.927 -14.092 1.673 1.00 0.00 N ATOM 420 CA ALA A 28 4.541 -15.440 1.259 1.00 0.00 C ATOM 421 C ALA A 28 3.023 -15.595 1.185 1.00 0.00 C ATOM 422 O ALA A 28 2.476 -15.922 0.133 1.00 0.00 O ATOM 423 CB ALA A 28 5.135 -16.483 2.197 1.00 0.00 C ATOM 0 H ALA A 28 5.232 -13.491 0.907 1.00 0.00 H new ATOM 0 HA ALA A 28 4.941 -15.600 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.835 -17.479 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.222 -16.408 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.773 -16.309 3.210 1.00 0.00 H new ATOM 429 N PHE A 29 2.349 -15.370 2.309 1.00 0.00 N ATOM 430 CA PHE A 29 0.895 -15.499 2.367 1.00 0.00 C ATOM 431 C PHE A 29 0.200 -14.320 1.690 1.00 0.00 C ATOM 432 O PHE A 29 -0.302 -14.442 0.572 1.00 0.00 O ATOM 433 CB PHE A 29 0.432 -15.615 3.821 1.00 0.00 C ATOM 434 CG PHE A 29 0.063 -17.015 4.224 1.00 0.00 C ATOM 435 CD1 PHE A 29 -0.716 -17.805 3.394 1.00 0.00 C ATOM 436 CD2 PHE A 29 0.495 -17.539 5.431 1.00 0.00 C ATOM 437 CE1 PHE A 29 -1.057 -19.093 3.762 1.00 0.00 C ATOM 438 CE2 PHE A 29 0.157 -18.826 5.804 1.00 0.00 C ATOM 439 CZ PHE A 29 -0.620 -19.604 4.968 1.00 0.00 C ATOM 0 H PHE A 29 2.784 -15.098 3.190 1.00 0.00 H new ATOM 0 HA PHE A 29 0.621 -16.405 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.225 -15.254 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.428 -14.963 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.060 -17.410 2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.103 -16.935 6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.665 -19.699 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.500 -19.223 6.748 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.885 -20.610 5.257 1.00 0.00 H new ATOM 449 N CYS A 30 0.165 -13.181 2.379 1.00 0.00 N ATOM 450 CA CYS A 30 -0.476 -11.975 1.856 1.00 0.00 C ATOM 451 C CYS A 30 -1.996 -12.062 1.999 1.00 0.00 C ATOM 452 O CYS A 30 -2.571 -11.490 2.925 1.00 0.00 O ATOM 453 CB CYS A 30 -0.091 -11.743 0.389 1.00 0.00 C ATOM 454 SG CYS A 30 0.465 -10.048 0.024 1.00 0.00 S ATOM 0 H CYS A 30 0.575 -13.068 3.306 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.122 -11.127 2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.702 -12.440 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.949 -11.976 -0.242 1.00 0.00 H new ATOM 459 N SER A 31 -2.639 -12.784 1.081 1.00 0.00 N ATOM 460 CA SER A 31 -4.093 -12.953 1.103 1.00 0.00 C ATOM 461 C SER A 31 -4.808 -11.645 1.443 1.00 0.00 C ATOM 462 O SER A 31 -5.340 -11.486 2.542 1.00 0.00 O ATOM 463 CB SER A 31 -4.482 -14.036 2.111 1.00 0.00 C ATOM 464 OG SER A 31 -5.626 -14.750 1.677 1.00 0.00 O ATOM 0 H SER A 31 -2.174 -13.263 0.310 1.00 0.00 H new ATOM 0 HA SER A 31 -4.406 -13.256 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.649 -14.726 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.681 -13.580 3.081 1.00 0.00 H new ATOM 0 HG SER A 31 -5.853 -15.437 2.338 1.00 0.00 H new ATOM 470 N ILE A 32 -4.817 -10.712 0.496 1.00 0.00 N ATOM 471 CA ILE A 32 -5.469 -9.422 0.702 1.00 0.00 C ATOM 472 C ILE A 32 -6.564 -9.190 -0.352 1.00 0.00 C ATOM 473 O ILE A 32 -7.450 -10.029 -0.513 1.00 0.00 O ATOM 474 CB ILE A 32 -4.439 -8.267 0.691 1.00 0.00 C ATOM 475 CG1 ILE A 32 -3.188 -8.663 1.478 1.00 0.00 C ATOM 476 CG2 ILE A 32 -5.052 -6.996 1.270 1.00 0.00 C ATOM 477 CD1 ILE A 32 -3.443 -8.874 2.955 1.00 0.00 C ATOM 0 H ILE A 32 -4.382 -10.824 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.940 -9.438 1.685 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.153 -8.070 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.777 -9.579 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.431 -7.888 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.313 -6.195 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.916 -6.704 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.366 -7.179 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.512 -9.152 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.825 -7.952 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.176 -9.670 3.088 1.00 0.00 H new ATOM 489 N ARG A 33 -6.517 -8.061 -1.065 1.00 0.00 N ATOM 490 CA ARG A 33 -7.523 -7.760 -2.080 1.00 0.00 C ATOM 491 C ARG A 33 -6.886 -7.145 -3.327 1.00 0.00 C ATOM 492 O ARG A 33 -7.589 -6.692 -4.231 1.00 0.00 O ATOM 493 CB ARG A 33 -8.591 -6.805 -1.525 1.00 0.00 C ATOM 494 CG ARG A 33 -8.602 -6.681 -0.006 1.00 0.00 C ATOM 495 CD ARG A 33 -9.728 -7.493 0.614 1.00 0.00 C ATOM 496 NE ARG A 33 -10.149 -6.947 1.903 1.00 0.00 N ATOM 497 CZ ARG A 33 -10.832 -7.637 2.813 1.00 0.00 C ATOM 498 NH1 ARG A 33 -11.178 -8.897 2.580 1.00 0.00 N ATOM 499 NH2 ARG A 33 -11.170 -7.065 3.961 1.00 0.00 N ATOM 0 H ARG A 33 -5.797 -7.346 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.996 -8.702 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.435 -5.816 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.572 -7.146 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.646 -7.019 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.712 -5.633 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.579 -7.513 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.401 -8.525 0.746 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.905 -5.980 2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.920 -9.342 1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.701 -9.420 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.906 -6.097 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.694 -7.593 4.659 1.00 0.00 H new ATOM 513 N GLY A 34 -5.557 -7.125 -3.370 1.00 0.00 N ATOM 514 CA GLY A 34 -4.861 -6.557 -4.510 1.00 0.00 C ATOM 515 C GLY A 34 -4.284 -5.189 -4.204 1.00 0.00 C ATOM 516 O GLY A 34 -4.895 -4.166 -4.514 1.00 0.00 O ATOM 0 H GLY A 34 -4.951 -7.492 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.058 -7.228 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.549 -6.479 -5.352 1.00 0.00 H new ATOM 520 N LYS A 35 -3.107 -5.171 -3.588 1.00 0.00 N ATOM 521 CA LYS A 35 -2.450 -3.919 -3.233 1.00 0.00 C ATOM 522 C LYS A 35 -1.684 -3.343 -4.419 1.00 0.00 C ATOM 523 O LYS A 35 -1.520 -2.129 -4.533 1.00 0.00 O ATOM 524 CB LYS A 35 -1.492 -4.131 -2.056 1.00 0.00 C ATOM 525 CG LYS A 35 -2.039 -5.050 -0.972 1.00 0.00 C ATOM 526 CD LYS A 35 -1.053 -6.154 -0.625 1.00 0.00 C ATOM 527 CE LYS A 35 -0.922 -7.162 -1.756 1.00 0.00 C ATOM 528 NZ LYS A 35 -2.133 -8.019 -1.881 1.00 0.00 N ATOM 0 H LYS A 35 -2.589 -6.009 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.225 -3.210 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.557 -4.546 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.257 -3.163 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.263 -4.467 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.977 -5.492 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.077 -5.717 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.380 -6.663 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.753 -6.634 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.049 -7.791 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.039 -8.634 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.233 -8.605 -1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.975 -7.417 -1.988 1.00 0.00 H new ATOM 542 N ARG A 36 -1.207 -4.221 -5.297 1.00 0.00 N ATOM 543 CA ARG A 36 -0.450 -3.793 -6.467 1.00 0.00 C ATOM 544 C ARG A 36 0.824 -3.076 -6.035 1.00 0.00 C ATOM 545 O ARG A 36 0.766 -1.985 -5.467 1.00 0.00 O ATOM 546 CB ARG A 36 -1.296 -2.871 -7.348 1.00 0.00 C ATOM 547 CG ARG A 36 -2.727 -3.351 -7.541 1.00 0.00 C ATOM 548 CD ARG A 36 -2.924 -3.991 -8.908 1.00 0.00 C ATOM 549 NE ARG A 36 -3.598 -5.284 -8.816 1.00 0.00 N ATOM 550 CZ ARG A 36 -2.970 -6.437 -8.592 1.00 0.00 C ATOM 551 NH1 ARG A 36 -1.652 -6.468 -8.436 1.00 0.00 N ATOM 552 NH2 ARG A 36 -3.664 -7.565 -8.524 1.00 0.00 N ATOM 0 H ARG A 36 -1.331 -5.230 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.182 -4.677 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.313 -1.875 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.819 -2.778 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.978 -4.071 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.412 -2.510 -7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.508 -3.322 -9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.955 -4.121 -9.390 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.611 -5.305 -8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.112 -5.604 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.179 -7.356 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.677 -7.549 -8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.185 -8.449 -8.353 1.00 0.00 H new ATOM 566 N VAL A 37 1.972 -3.701 -6.295 1.00 0.00 N ATOM 567 CA VAL A 37 3.266 -3.131 -5.920 1.00 0.00 C ATOM 568 C VAL A 37 3.215 -2.543 -4.509 1.00 0.00 C ATOM 569 O VAL A 37 3.220 -1.325 -4.330 1.00 0.00 O ATOM 570 CB VAL A 37 3.729 -2.049 -6.925 1.00 0.00 C ATOM 571 CG1 VAL A 37 2.655 -0.991 -7.130 1.00 0.00 C ATOM 572 CG2 VAL A 37 5.036 -1.413 -6.470 1.00 0.00 C ATOM 0 H VAL A 37 2.032 -4.604 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 37 3.991 -3.944 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 37 3.902 -2.537 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.010 -0.245 -7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.751 -1.461 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.433 -0.508 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.343 -0.656 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.894 -0.948 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.808 -2.179 -6.398 1.00 0.00 H new ATOM 582 N ASP A 38 3.155 -3.428 -3.514 1.00 0.00 N ATOM 583 CA ASP A 38 3.088 -3.025 -2.109 1.00 0.00 C ATOM 584 C ASP A 38 3.983 -1.822 -1.820 1.00 0.00 C ATOM 585 O ASP A 38 5.141 -1.777 -2.236 1.00 0.00 O ATOM 586 CB ASP A 38 3.479 -4.197 -1.206 1.00 0.00 C ATOM 587 CG ASP A 38 2.279 -4.831 -0.531 1.00 0.00 C ATOM 588 OD1 ASP A 38 1.474 -4.088 0.069 1.00 0.00 O ATOM 589 OD2 ASP A 38 2.143 -6.071 -0.603 1.00 0.00 O ATOM 0 H ASP A 38 3.151 -4.438 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 38 2.059 -2.731 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.000 -4.950 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.178 -3.849 -0.446 1.00 0.00 H new ATOM 594 N LEU A 39 3.430 -0.849 -1.104 1.00 0.00 N ATOM 595 CA LEU A 39 4.164 0.361 -0.753 1.00 0.00 C ATOM 596 C LEU A 39 5.109 0.102 0.419 1.00 0.00 C ATOM 597 O LEU A 39 5.478 -1.042 0.685 1.00 0.00 O ATOM 598 CB LEU A 39 3.183 1.488 -0.416 1.00 0.00 C ATOM 599 CG LEU A 39 1.940 1.548 -1.308 1.00 0.00 C ATOM 600 CD1 LEU A 39 1.055 2.724 -0.921 1.00 0.00 C ATOM 601 CD2 LEU A 39 2.342 1.639 -2.773 1.00 0.00 C ATOM 0 H LEU A 39 2.472 -0.875 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 39 4.767 0.663 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.864 1.375 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.709 2.440 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 39 1.369 0.631 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.178 2.747 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.738 2.615 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.614 3.653 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.447 1.681 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.936 2.539 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.931 0.763 -3.044 1.00 0.00 H new ATOM 613 N GLY A 40 5.508 1.166 1.111 1.00 0.00 N ATOM 614 CA GLY A 40 6.415 1.017 2.234 1.00 0.00 C ATOM 615 C GLY A 40 6.043 1.887 3.417 1.00 0.00 C ATOM 616 O GLY A 40 5.361 2.899 3.264 1.00 0.00 O ATOM 0 H GLY A 40 5.220 2.125 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.427 -0.027 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.426 1.265 1.912 1.00 0.00 H new ATOM 620 N CYS A 41 6.505 1.489 4.598 1.00 0.00 N ATOM 621 CA CYS A 41 6.236 2.227 5.826 1.00 0.00 C ATOM 622 C CYS A 41 7.209 1.798 6.920 1.00 0.00 C ATOM 623 O CYS A 41 6.812 1.189 7.914 1.00 0.00 O ATOM 624 CB CYS A 41 4.795 1.996 6.288 1.00 0.00 C ATOM 625 SG CYS A 41 3.573 3.096 5.504 1.00 0.00 S ATOM 0 H CYS A 41 7.072 0.652 4.730 1.00 0.00 H new ATOM 0 HA CYS A 41 6.371 3.290 5.626 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.521 0.961 6.082 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.746 2.129 7.369 1.00 0.00 H new ATOM 630 N ALA A 42 8.486 2.108 6.724 1.00 0.00 N ATOM 631 CA ALA A 42 9.513 1.740 7.689 1.00 0.00 C ATOM 632 C ALA A 42 10.737 2.638 7.562 1.00 0.00 C ATOM 633 O ALA A 42 10.833 3.450 6.643 1.00 0.00 O ATOM 634 CB ALA A 42 9.911 0.284 7.497 1.00 0.00 C ATOM 0 H ALA A 42 8.833 2.612 5.908 1.00 0.00 H new ATOM 0 HA ALA A 42 9.100 1.872 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.679 0.018 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.039 -0.354 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.300 0.143 6.489 1.00 0.00 H new ATOM 640 N ALA A 43 11.675 2.479 8.489 1.00 0.00 N ATOM 641 CA ALA A 43 12.900 3.266 8.480 1.00 0.00 C ATOM 642 C ALA A 43 14.031 2.490 7.816 1.00 0.00 C ATOM 643 O ALA A 43 14.126 1.272 7.964 1.00 0.00 O ATOM 644 CB ALA A 43 13.286 3.661 9.897 1.00 0.00 C ATOM 0 H ALA A 43 11.609 1.811 9.257 1.00 0.00 H new ATOM 0 HA ALA A 43 12.722 4.174 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.204 4.249 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.486 4.254 10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.445 2.763 10.494 1.00 0.00 H new ATOM 650 N THR A 44 14.880 3.200 7.077 1.00 0.00 N ATOM 651 CA THR A 44 16.003 2.575 6.381 1.00 0.00 C ATOM 652 C THR A 44 15.557 1.312 5.642 1.00 0.00 C ATOM 653 O THR A 44 14.365 1.102 5.421 1.00 0.00 O ATOM 654 CB THR A 44 17.128 2.248 7.370 1.00 0.00 C ATOM 655 OG1 THR A 44 18.305 1.867 6.680 1.00 0.00 O ATOM 656 CG2 THR A 44 16.783 1.133 8.335 1.00 0.00 C ATOM 0 H THR A 44 14.812 4.209 6.944 1.00 0.00 H new ATOM 0 HA THR A 44 16.380 3.282 5.643 1.00 0.00 H new ATOM 0 HB THR A 44 17.279 3.163 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.012 1.664 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.626 0.957 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.908 1.416 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.567 0.222 7.776 1.00 0.00 H new ATOM 664 N CYS A 45 16.519 0.477 5.263 1.00 0.00 N ATOM 665 CA CYS A 45 16.219 -0.761 4.549 1.00 0.00 C ATOM 666 C CYS A 45 16.915 -1.949 5.221 1.00 0.00 C ATOM 667 O CYS A 45 18.144 -2.016 5.255 1.00 0.00 O ATOM 668 CB CYS A 45 16.656 -0.652 3.081 1.00 0.00 C ATOM 669 SG CYS A 45 16.729 1.057 2.432 1.00 0.00 S ATOM 0 H CYS A 45 17.512 0.634 5.438 1.00 0.00 H new ATOM 0 HA CYS A 45 15.142 -0.925 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 45 17.639 -1.110 2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.966 -1.231 2.467 1.00 0.00 H new ATOM 674 N PRO A 46 16.139 -2.899 5.783 1.00 0.00 N ATOM 675 CA PRO A 46 16.694 -4.073 6.472 1.00 0.00 C ATOM 676 C PRO A 46 17.706 -4.852 5.631 1.00 0.00 C ATOM 677 O PRO A 46 18.901 -4.828 5.922 1.00 0.00 O ATOM 678 CB PRO A 46 15.461 -4.929 6.771 1.00 0.00 C ATOM 679 CG PRO A 46 14.340 -3.953 6.834 1.00 0.00 C ATOM 680 CD PRO A 46 14.664 -2.900 5.813 1.00 0.00 C ATOM 0 HA PRO A 46 17.256 -3.782 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.296 -5.674 5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.571 -5.469 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.388 -4.435 6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.253 -3.520 7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.242 -3.142 4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.267 -1.926 6.099 1.00 0.00 H new ATOM 688 N THR A 47 17.235 -5.555 4.600 1.00 0.00 N ATOM 689 CA THR A 47 18.125 -6.337 3.761 1.00 0.00 C ATOM 690 C THR A 47 17.866 -6.088 2.279 1.00 0.00 C ATOM 691 O THR A 47 18.812 -5.976 1.499 1.00 0.00 O ATOM 692 CB THR A 47 17.977 -7.826 4.082 1.00 0.00 C ATOM 693 OG1 THR A 47 18.971 -8.583 3.418 1.00 0.00 O ATOM 694 CG2 THR A 47 16.629 -8.396 3.694 1.00 0.00 C ATOM 0 H THR A 47 16.251 -5.595 4.333 1.00 0.00 H new ATOM 0 HA THR A 47 19.146 -6.022 3.975 1.00 0.00 H new ATOM 0 HB THR A 47 18.082 -7.897 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 47 19.642 -7.979 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.594 -9.455 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.842 -7.867 4.231 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.479 -8.277 2.621 1.00 0.00 H new ATOM 702 N VAL A 48 16.593 -6.009 1.879 1.00 0.00 N ATOM 703 CA VAL A 48 16.268 -5.782 0.469 1.00 0.00 C ATOM 704 C VAL A 48 16.686 -6.989 -0.344 1.00 0.00 C ATOM 705 O VAL A 48 17.369 -6.866 -1.361 1.00 0.00 O ATOM 706 CB VAL A 48 17.038 -4.580 -0.076 1.00 0.00 C ATOM 707 CG1 VAL A 48 16.493 -4.147 -1.429 1.00 0.00 C ATOM 708 CG2 VAL A 48 17.018 -3.437 0.919 1.00 0.00 C ATOM 0 H VAL A 48 15.787 -6.097 2.497 1.00 0.00 H new ATOM 0 HA VAL A 48 15.195 -5.605 0.395 1.00 0.00 H new ATOM 0 HB VAL A 48 18.076 -4.879 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.060 -3.290 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.584 -4.970 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.444 -3.871 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.572 -2.591 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.987 -3.138 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.481 -3.759 1.852 1.00 0.00 H new ATOM 718 N LYS A 49 16.335 -8.155 0.147 1.00 0.00 N ATOM 719 CA LYS A 49 16.751 -9.387 -0.498 1.00 0.00 C ATOM 720 C LYS A 49 15.649 -10.417 -0.624 1.00 0.00 C ATOM 721 O LYS A 49 14.460 -10.115 -0.521 1.00 0.00 O ATOM 722 CB LYS A 49 17.907 -9.976 0.299 1.00 0.00 C ATOM 723 CG LYS A 49 18.908 -8.928 0.701 1.00 0.00 C ATOM 724 CD LYS A 49 19.710 -8.485 -0.500 1.00 0.00 C ATOM 725 CE LYS A 49 21.183 -8.309 -0.164 1.00 0.00 C ATOM 726 NZ LYS A 49 22.026 -9.358 -0.801 1.00 0.00 N ATOM 0 H LYS A 49 15.767 -8.280 0.985 1.00 0.00 H new ATOM 0 HA LYS A 49 17.045 -9.135 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.519 -10.467 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.404 -10.742 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.394 -8.073 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.575 -9.326 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.605 -9.220 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.309 -7.545 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.516 -7.325 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.316 -8.344 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.023 -9.203 -0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.725 -10.296 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.920 -9.309 -1.834 1.00 0.00 H new ATOM 740 N THR A 50 16.086 -11.648 -0.864 1.00 0.00 N ATOM 741 CA THR A 50 15.180 -12.779 -1.031 1.00 0.00 C ATOM 742 C THR A 50 14.088 -12.439 -2.039 1.00 0.00 C ATOM 743 O THR A 50 14.174 -11.428 -2.737 1.00 0.00 O ATOM 744 CB THR A 50 14.555 -13.167 0.313 1.00 0.00 C ATOM 745 OG1 THR A 50 14.888 -12.222 1.315 1.00 0.00 O ATOM 746 CG2 THR A 50 14.994 -14.529 0.805 1.00 0.00 C ATOM 0 H THR A 50 17.073 -11.890 -0.948 1.00 0.00 H new ATOM 0 HA THR A 50 15.753 -13.627 -1.407 1.00 0.00 H new ATOM 0 HB THR A 50 13.480 -13.190 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.478 -12.488 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.515 -14.742 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 50 14.707 -15.288 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.077 -14.539 0.931 1.00 0.00 H new ATOM 754 N GLY A 51 13.053 -13.270 -2.102 1.00 0.00 N ATOM 755 CA GLY A 51 11.960 -13.008 -3.019 1.00 0.00 C ATOM 756 C GLY A 51 11.367 -11.626 -2.807 1.00 0.00 C ATOM 757 O GLY A 51 10.687 -11.088 -3.681 1.00 0.00 O ATOM 0 H GLY A 51 12.952 -14.114 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.317 -13.097 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.184 -13.761 -2.885 1.00 0.00 H new ATOM 761 N VAL A 52 11.631 -11.057 -1.633 1.00 0.00 N ATOM 762 CA VAL A 52 11.132 -9.735 -1.279 1.00 0.00 C ATOM 763 C VAL A 52 11.746 -8.650 -2.157 1.00 0.00 C ATOM 764 O VAL A 52 12.820 -8.129 -1.855 1.00 0.00 O ATOM 765 CB VAL A 52 11.443 -9.409 0.202 1.00 0.00 C ATOM 766 CG1 VAL A 52 10.682 -8.171 0.660 1.00 0.00 C ATOM 767 CG2 VAL A 52 11.124 -10.601 1.098 1.00 0.00 C ATOM 0 H VAL A 52 12.194 -11.498 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 52 10.054 -9.752 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 52 12.509 -9.198 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.918 -7.964 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.972 -7.318 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.611 -8.344 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.351 -10.348 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.067 -10.851 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.726 -11.457 0.793 1.00 0.00 H new ATOM 777 N ASP A 53 11.052 -8.302 -3.234 1.00 0.00 N ATOM 778 CA ASP A 53 11.526 -7.264 -4.142 1.00 0.00 C ATOM 779 C ASP A 53 11.304 -5.889 -3.521 1.00 0.00 C ATOM 780 O ASP A 53 10.216 -5.321 -3.619 1.00 0.00 O ATOM 781 CB ASP A 53 10.804 -7.361 -5.488 1.00 0.00 C ATOM 782 CG ASP A 53 11.733 -7.775 -6.613 1.00 0.00 C ATOM 783 OD1 ASP A 53 12.628 -8.611 -6.366 1.00 0.00 O ATOM 784 OD2 ASP A 53 11.566 -7.264 -7.740 1.00 0.00 O ATOM 0 H ASP A 53 10.161 -8.722 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 53 12.593 -7.407 -4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.989 -8.081 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.355 -6.397 -5.727 1.00 0.00 H new ATOM 789 N ILE A 54 12.335 -5.370 -2.864 1.00 0.00 N ATOM 790 CA ILE A 54 12.242 -4.074 -2.204 1.00 0.00 C ATOM 791 C ILE A 54 12.731 -2.936 -3.092 1.00 0.00 C ATOM 792 O ILE A 54 13.643 -3.099 -3.902 1.00 0.00 O ATOM 793 CB ILE A 54 13.031 -4.071 -0.866 1.00 0.00 C ATOM 794 CG1 ILE A 54 12.073 -4.241 0.314 1.00 0.00 C ATOM 795 CG2 ILE A 54 13.852 -2.794 -0.694 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.598 -5.169 1.387 1.00 0.00 C ATOM 0 H ILE A 54 13.243 -5.826 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 54 11.185 -3.907 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 54 13.725 -4.911 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.875 -3.264 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.121 -4.624 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 54 14.389 -2.831 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 54 14.567 -2.708 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.187 -1.930 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.868 -5.243 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.770 -6.157 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.535 -4.776 1.781 1.00 0.00 H new ATOM 808 N GLN A 55 12.125 -1.774 -2.890 1.00 0.00 N ATOM 809 CA GLN A 55 12.487 -0.568 -3.615 1.00 0.00 C ATOM 810 C GLN A 55 12.495 0.602 -2.644 1.00 0.00 C ATOM 811 O GLN A 55 11.574 1.419 -2.609 1.00 0.00 O ATOM 812 CB GLN A 55 11.525 -0.310 -4.778 1.00 0.00 C ATOM 813 CG GLN A 55 12.227 -0.069 -6.104 1.00 0.00 C ATOM 814 CD GLN A 55 11.344 -0.377 -7.297 1.00 0.00 C ATOM 815 OE1 GLN A 55 10.850 0.529 -7.969 1.00 0.00 O ATOM 816 NE2 GLN A 55 11.139 -1.661 -7.566 1.00 0.00 N ATOM 0 H GLN A 55 11.369 -1.643 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 55 13.481 -0.691 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.855 -1.163 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.906 0.555 -4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.551 0.971 -6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.125 -0.685 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.568 -2.379 -6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.552 -1.929 -8.356 1.00 0.00 H new ATOM 825 N CYS A 56 13.546 0.642 -1.838 1.00 0.00 N ATOM 826 CA CYS A 56 13.717 1.674 -0.824 1.00 0.00 C ATOM 827 C CYS A 56 13.749 3.063 -1.455 1.00 0.00 C ATOM 828 O CYS A 56 14.813 3.578 -1.799 1.00 0.00 O ATOM 829 CB CYS A 56 15.014 1.411 -0.047 1.00 0.00 C ATOM 830 SG CYS A 56 14.844 1.436 1.768 1.00 0.00 S ATOM 0 H CYS A 56 14.304 -0.039 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 56 12.869 1.639 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.409 0.440 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 56 15.752 2.159 -0.338 1.00 0.00 H new ATOM 835 N CYS A 57 12.572 3.663 -1.599 1.00 0.00 N ATOM 836 CA CYS A 57 12.456 4.996 -2.185 1.00 0.00 C ATOM 837 C CYS A 57 12.557 6.070 -1.104 1.00 0.00 C ATOM 838 O CYS A 57 11.688 6.171 -0.238 1.00 0.00 O ATOM 839 CB CYS A 57 11.128 5.130 -2.936 1.00 0.00 C ATOM 840 SG CYS A 57 10.901 6.728 -3.786 1.00 0.00 S ATOM 0 H CYS A 57 11.684 3.248 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 57 13.277 5.135 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.058 4.328 -3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.310 4.988 -2.230 1.00 0.00 H new ATOM 845 N SER A 58 13.623 6.865 -1.152 1.00 0.00 N ATOM 846 CA SER A 58 13.830 7.922 -0.168 1.00 0.00 C ATOM 847 C SER A 58 13.928 9.293 -0.834 1.00 0.00 C ATOM 848 O SER A 58 14.504 10.223 -0.270 1.00 0.00 O ATOM 849 CB SER A 58 15.097 7.649 0.644 1.00 0.00 C ATOM 850 OG SER A 58 15.008 8.220 1.938 1.00 0.00 O ATOM 0 H SER A 58 14.354 6.797 -1.860 1.00 0.00 H new ATOM 0 HA SER A 58 12.967 7.928 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.254 6.574 0.728 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.962 8.058 0.122 1.00 0.00 H new ATOM 0 HG SER A 58 15.830 8.030 2.437 1.00 0.00 H new ATOM 856 N THR A 59 13.361 9.415 -2.031 1.00 0.00 N ATOM 857 CA THR A 59 13.389 10.679 -2.757 1.00 0.00 C ATOM 858 C THR A 59 12.595 11.748 -2.004 1.00 0.00 C ATOM 859 O THR A 59 12.404 11.646 -0.793 1.00 0.00 O ATOM 860 CB THR A 59 12.843 10.490 -4.178 1.00 0.00 C ATOM 861 OG1 THR A 59 13.147 11.614 -4.985 1.00 0.00 O ATOM 862 CG2 THR A 59 11.344 10.282 -4.233 1.00 0.00 C ATOM 0 H THR A 59 12.879 8.658 -2.516 1.00 0.00 H new ATOM 0 HA THR A 59 14.423 11.016 -2.831 1.00 0.00 H new ATOM 0 HB THR A 59 13.329 9.587 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.867 12.131 -4.568 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.032 10.156 -5.270 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.079 9.391 -3.663 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.840 11.149 -3.806 1.00 0.00 H new ATOM 870 N ASP A 60 12.143 12.776 -2.718 1.00 0.00 N ATOM 871 CA ASP A 60 11.384 13.856 -2.097 1.00 0.00 C ATOM 872 C ASP A 60 9.880 13.594 -2.158 1.00 0.00 C ATOM 873 O ASP A 60 9.129 14.054 -1.298 1.00 0.00 O ATOM 874 CB ASP A 60 11.712 15.189 -2.774 1.00 0.00 C ATOM 875 CG ASP A 60 12.426 16.150 -1.844 1.00 0.00 C ATOM 876 OD1 ASP A 60 12.235 16.039 -0.615 1.00 0.00 O ATOM 877 OD2 ASP A 60 13.177 17.013 -2.345 1.00 0.00 O ATOM 0 H ASP A 60 12.289 12.883 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 60 11.673 13.903 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.335 15.005 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.790 15.649 -3.129 1.00 0.00 H new ATOM 882 N ASN A 61 9.441 12.862 -3.178 1.00 0.00 N ATOM 883 CA ASN A 61 8.021 12.557 -3.337 1.00 0.00 C ATOM 884 C ASN A 61 7.746 11.065 -3.168 1.00 0.00 C ATOM 885 O ASN A 61 6.968 10.665 -2.302 1.00 0.00 O ATOM 886 CB ASN A 61 7.522 13.027 -4.707 1.00 0.00 C ATOM 887 CG ASN A 61 8.524 12.768 -5.817 1.00 0.00 C ATOM 888 OD1 ASN A 61 9.599 13.366 -5.850 1.00 0.00 O ATOM 889 ND2 ASN A 61 8.174 11.872 -6.733 1.00 0.00 N ATOM 0 H ASN A 61 10.043 12.471 -3.903 1.00 0.00 H new ATOM 0 HA ASN A 61 7.481 13.092 -2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.587 12.519 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.303 14.094 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.807 11.656 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.272 11.400 -6.666 1.00 0.00 H new ATOM 896 N CYS A 62 8.376 10.249 -4.006 1.00 0.00 N ATOM 897 CA CYS A 62 8.187 8.802 -3.955 1.00 0.00 C ATOM 898 C CYS A 62 6.755 8.439 -4.288 1.00 0.00 C ATOM 899 O CYS A 62 5.920 8.314 -3.396 1.00 0.00 O ATOM 900 CB CYS A 62 8.556 8.247 -2.574 1.00 0.00 C ATOM 901 SG CYS A 62 10.343 8.003 -2.307 1.00 0.00 S ATOM 0 H CYS A 62 9.022 10.564 -4.729 1.00 0.00 H new ATOM 0 HA CYS A 62 8.848 8.355 -4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.177 8.927 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.047 7.293 -2.432 1.00 0.00 H new ATOM 906 N ASN A 63 6.485 8.269 -5.582 1.00 0.00 N ATOM 907 CA ASN A 63 5.152 7.912 -6.062 1.00 0.00 C ATOM 908 C ASN A 63 4.984 8.288 -7.533 1.00 0.00 C ATOM 909 O ASN A 63 5.539 9.285 -7.996 1.00 0.00 O ATOM 910 CB ASN A 63 4.071 8.602 -5.231 1.00 0.00 C ATOM 911 CG ASN A 63 4.222 10.111 -5.218 1.00 0.00 C ATOM 912 OD1 ASN A 63 4.514 10.726 -6.243 1.00 0.00 O ATOM 913 ND2 ASN A 63 4.024 10.715 -4.052 1.00 0.00 N ATOM 0 H ASN A 63 7.179 8.374 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 63 5.043 6.832 -5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.090 8.342 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.110 8.228 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.113 11.729 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.783 10.165 -3.227 1.00 0.00 H new ATOM 920 N PRO A 64 4.209 7.491 -8.290 1.00 0.00 N ATOM 921 CA PRO A 64 3.967 7.745 -9.712 1.00 0.00 C ATOM 922 C PRO A 64 2.971 8.880 -9.933 1.00 0.00 C ATOM 923 O PRO A 64 2.138 9.162 -9.072 1.00 0.00 O ATOM 924 CB PRO A 64 3.391 6.419 -10.206 1.00 0.00 C ATOM 925 CG PRO A 64 2.706 5.843 -9.016 1.00 0.00 C ATOM 926 CD PRO A 64 3.507 6.281 -7.818 1.00 0.00 C ATOM 0 HA PRO A 64 4.870 8.056 -10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.694 6.572 -11.030 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.176 5.757 -10.571 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.678 6.199 -8.948 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.663 4.756 -9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.865 6.498 -6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.208 5.509 -7.501 1.00 0.00 H new ATOM 934 N PHE A 65 3.065 9.530 -11.089 1.00 0.00 N ATOM 935 CA PHE A 65 2.173 10.637 -11.418 1.00 0.00 C ATOM 936 C PHE A 65 0.711 10.192 -11.398 1.00 0.00 C ATOM 937 O PHE A 65 -0.120 10.804 -10.727 1.00 0.00 O ATOM 938 CB PHE A 65 2.526 11.218 -12.789 1.00 0.00 C ATOM 939 CG PHE A 65 2.647 12.716 -12.789 1.00 0.00 C ATOM 940 CD1 PHE A 65 3.436 13.359 -11.848 1.00 0.00 C ATOM 941 CD2 PHE A 65 1.972 13.479 -13.727 1.00 0.00 C ATOM 942 CE1 PHE A 65 3.549 14.736 -11.844 1.00 0.00 C ATOM 943 CE2 PHE A 65 2.081 14.857 -13.728 1.00 0.00 C ATOM 944 CZ PHE A 65 2.871 15.486 -12.785 1.00 0.00 C ATOM 0 H PHE A 65 3.749 9.310 -11.813 1.00 0.00 H new ATOM 0 HA PHE A 65 2.305 11.409 -10.660 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.467 10.785 -13.128 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.762 10.923 -13.508 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.968 12.777 -11.110 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.353 12.992 -14.466 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.167 15.225 -11.106 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.549 15.441 -14.465 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.958 16.562 -12.784 1.00 0.00 H new ATOM 954 N PRO A 66 0.377 9.117 -12.135 1.00 0.00 N ATOM 955 CA PRO A 66 -0.991 8.594 -12.198 1.00 0.00 C ATOM 956 C PRO A 66 -1.670 8.558 -10.831 1.00 0.00 C ATOM 957 O PRO A 66 -1.029 8.290 -9.815 1.00 0.00 O ATOM 958 CB PRO A 66 -0.789 7.180 -12.735 1.00 0.00 C ATOM 959 CG PRO A 66 0.422 7.279 -13.597 1.00 0.00 C ATOM 960 CD PRO A 66 1.305 8.327 -12.968 1.00 0.00 C ATOM 0 HA PRO A 66 -1.642 9.216 -12.813 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.643 6.465 -11.925 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.655 6.844 -13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.937 6.320 -13.655 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.152 7.558 -14.616 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.096 7.876 -12.368 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.791 8.946 -13.722 1.00 0.00 H new ATOM 968 N THR A 67 -2.969 8.837 -10.815 1.00 0.00 N ATOM 969 CA THR A 67 -3.736 8.843 -9.574 1.00 0.00 C ATOM 970 C THR A 67 -3.876 7.435 -9.003 1.00 0.00 C ATOM 971 O THR A 67 -3.645 7.214 -7.814 1.00 0.00 O ATOM 972 CB THR A 67 -5.120 9.450 -9.808 1.00 0.00 C ATOM 973 OG1 THR A 67 -5.871 9.461 -8.607 1.00 0.00 O ATOM 974 CG2 THR A 67 -5.931 8.711 -10.850 1.00 0.00 C ATOM 0 H THR A 67 -3.513 9.062 -11.648 1.00 0.00 H new ATOM 0 HA THR A 67 -3.194 9.452 -8.850 1.00 0.00 H new ATOM 0 HB THR A 67 -4.934 10.462 -10.168 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.753 9.854 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.901 9.194 -10.966 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.401 8.727 -11.802 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.076 7.678 -10.533 1.00 0.00 H new ATOM 982 N ARG A 68 -4.262 6.488 -9.852 1.00 0.00 N ATOM 983 CA ARG A 68 -4.436 5.106 -9.420 1.00 0.00 C ATOM 984 C ARG A 68 -4.733 4.193 -10.608 1.00 0.00 C ATOM 985 O ARG A 68 -4.542 4.577 -11.762 1.00 0.00 O ATOM 986 CB ARG A 68 -5.568 5.017 -8.392 1.00 0.00 C ATOM 987 CG ARG A 68 -6.929 5.391 -8.957 1.00 0.00 C ATOM 988 CD ARG A 68 -8.031 4.506 -8.398 1.00 0.00 C ATOM 989 NE ARG A 68 -9.153 4.375 -9.324 1.00 0.00 N ATOM 990 CZ ARG A 68 -9.989 5.367 -9.621 1.00 0.00 C ATOM 991 NH1 ARG A 68 -9.833 6.563 -9.067 1.00 0.00 N ATOM 992 NH2 ARG A 68 -10.983 5.163 -10.474 1.00 0.00 N ATOM 0 H ARG A 68 -4.460 6.651 -10.839 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.506 4.773 -8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.613 4.001 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.339 5.673 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.146 6.434 -8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.908 5.305 -10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.626 3.518 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.386 4.922 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.305 3.470 -9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.070 6.725 -8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.476 7.320 -9.298 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.107 4.246 -10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.624 5.923 -10.702 1.00 0.00 H new ATOM 1006 N LYS A 69 -5.201 2.982 -10.315 1.00 0.00 N ATOM 1007 CA LYS A 69 -5.526 2.009 -11.355 1.00 0.00 C ATOM 1008 C LYS A 69 -6.485 2.603 -12.383 1.00 0.00 C ATOM 1009 O LYS A 69 -7.553 3.106 -12.033 1.00 0.00 O ATOM 1010 CB LYS A 69 -6.145 0.752 -10.734 1.00 0.00 C ATOM 1011 CG LYS A 69 -5.431 0.275 -9.478 1.00 0.00 C ATOM 1012 CD LYS A 69 -5.951 -1.076 -9.012 1.00 0.00 C ATOM 1013 CE LYS A 69 -7.454 -1.048 -8.780 1.00 0.00 C ATOM 1014 NZ LYS A 69 -7.841 -0.041 -7.754 1.00 0.00 N ATOM 0 H LYS A 69 -5.364 2.651 -9.364 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.600 1.740 -11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.189 0.953 -10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.136 -0.049 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.361 0.205 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.563 1.009 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.711 -1.835 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.445 -1.363 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.962 -0.823 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.791 -2.035 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.851 -0.146 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.276 -0.188 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.667 0.915 -8.124 1.00 0.00 H new ATOM 1028 N ARG A 70 -6.095 2.541 -13.652 1.00 0.00 N ATOM 1029 CA ARG A 70 -6.920 3.072 -14.731 1.00 0.00 C ATOM 1030 C ARG A 70 -7.893 2.013 -15.246 1.00 0.00 C ATOM 1031 O ARG A 70 -9.099 2.248 -15.312 1.00 0.00 O ATOM 1032 CB ARG A 70 -6.037 3.575 -15.876 1.00 0.00 C ATOM 1033 CG ARG A 70 -5.929 5.090 -15.941 1.00 0.00 C ATOM 1034 CD ARG A 70 -7.171 5.713 -16.558 1.00 0.00 C ATOM 1035 NE ARG A 70 -7.683 6.823 -15.758 1.00 0.00 N ATOM 1036 CZ ARG A 70 -8.919 7.305 -15.863 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -9.772 6.779 -16.733 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -9.305 8.315 -15.095 1.00 0.00 N ATOM 0 H ARG A 70 -5.214 2.129 -13.958 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.499 3.907 -14.336 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.038 3.152 -15.766 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.437 3.207 -16.821 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.782 5.488 -14.937 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.052 5.368 -16.526 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.938 6.067 -17.562 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.945 4.953 -16.660 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.056 7.254 -15.079 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.482 6.001 -17.326 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.718 7.152 -16.809 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.654 8.723 -14.424 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.252 8.684 -15.176 1.00 0.00 H new ATOM 1052 N PRO A 71 -7.380 0.826 -15.619 1.00 0.00 N ATOM 1053 CA PRO A 71 -8.214 -0.267 -16.129 1.00 0.00 C ATOM 1054 C PRO A 71 -9.386 -0.580 -15.204 1.00 0.00 C ATOM 1055 O PRO A 71 -9.142 -0.842 -14.008 1.00 0.00 O ATOM 1056 CB PRO A 71 -7.250 -1.454 -16.189 1.00 0.00 C ATOM 1057 CG PRO A 71 -5.902 -0.838 -16.338 1.00 0.00 C ATOM 1058 CD PRO A 71 -5.952 0.457 -15.574 1.00 0.00 C ATOM 1059 OXT PRO A 71 -10.539 -0.560 -15.684 1.00 0.00 O ATOM 0 HA PRO A 71 -8.666 -0.020 -17.090 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.311 -2.060 -15.285 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.481 -2.110 -17.028 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.127 -1.495 -15.943 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.667 -0.663 -17.388 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.601 0.333 -14.549 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.325 1.220 -16.035 1.00 0.00 H new ATOM 1068 N TYR B 181 -27.257 -4.856 0.100 1.00 0.00 N ATOM 1069 CA TYR B 181 -28.243 -4.708 1.203 1.00 0.00 C ATOM 1070 C TYR B 181 -27.577 -4.184 2.472 1.00 0.00 C ATOM 1071 O TYR B 181 -27.079 -4.959 3.288 1.00 0.00 O ATOM 1072 CB TYR B 181 -28.885 -6.071 1.466 1.00 0.00 C ATOM 1073 CG TYR B 181 -30.030 -6.394 0.532 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -31.292 -5.849 0.734 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -29.847 -7.241 -0.555 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -32.340 -6.140 -0.118 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -30.891 -7.536 -1.412 1.00 0.00 C ATOM 1078 CZ TYR B 181 -32.134 -6.983 -1.190 1.00 0.00 C ATOM 1079 OH TYR B 181 -33.176 -7.274 -2.040 1.00 0.00 O ATOM 0 HA TYR B 181 -29.003 -3.984 0.910 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -28.123 -6.845 1.374 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -29.247 -6.100 2.494 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -31.457 -5.187 1.571 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -28.874 -7.675 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -33.315 -5.710 0.055 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -30.733 -8.197 -2.252 1.00 0.00 H new ATOM 0 HH TYR B 181 -32.865 -7.881 -2.744 1.00 0.00 H new ATOM 1091 N ARG B 182 -27.571 -2.864 2.631 1.00 0.00 N ATOM 1092 CA ARG B 182 -26.966 -2.237 3.802 1.00 0.00 C ATOM 1093 C ARG B 182 -25.465 -2.506 3.851 1.00 0.00 C ATOM 1094 O ARG B 182 -25.012 -3.609 3.543 1.00 0.00 O ATOM 1095 CB ARG B 182 -27.629 -2.749 5.082 1.00 0.00 C ATOM 1096 CG ARG B 182 -29.147 -2.800 5.003 1.00 0.00 C ATOM 1097 CD ARG B 182 -29.778 -2.791 6.385 1.00 0.00 C ATOM 1098 NE ARG B 182 -30.273 -4.110 6.770 1.00 0.00 N ATOM 1099 CZ ARG B 182 -31.048 -4.332 7.829 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -31.419 -3.325 8.610 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -31.455 -5.562 8.106 1.00 0.00 N ATOM 0 H ARG B 182 -27.978 -2.208 1.964 1.00 0.00 H new ATOM 0 HA ARG B 182 -27.121 -1.161 3.726 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -27.251 -3.747 5.303 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -27.338 -2.107 5.914 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -29.511 -1.947 4.430 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -29.454 -3.698 4.468 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -29.044 -2.452 7.116 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -30.600 -2.076 6.403 1.00 0.00 H new ATOM 0 HE ARG B 182 -30.009 -4.909 6.193 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -31.110 -2.376 8.400 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -32.013 -3.500 9.420 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -31.174 -6.339 7.508 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -32.049 -5.732 8.918 1.00 0.00 H new ATOM 1115 N GLY B 183 -24.698 -1.493 4.240 1.00 0.00 N ATOM 1116 CA GLY B 183 -23.257 -1.642 4.322 1.00 0.00 C ATOM 1117 C GLY B 183 -22.838 -2.709 5.314 1.00 0.00 C ATOM 1118 O GLY B 183 -22.918 -2.505 6.526 1.00 0.00 O ATOM 0 H GLY B 183 -25.049 -0.571 4.500 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -22.864 -1.893 3.337 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -22.812 -0.689 4.609 1.00 0.00 H new ATOM 1122 N TRP B 184 -22.390 -3.850 4.800 1.00 0.00 N ATOM 1123 CA TRP B 184 -21.956 -4.953 5.650 1.00 0.00 C ATOM 1124 C TRP B 184 -20.438 -4.937 5.830 1.00 0.00 C ATOM 1125 O TRP B 184 -19.928 -4.411 6.819 1.00 0.00 O ATOM 1126 CB TRP B 184 -22.406 -6.291 5.055 1.00 0.00 C ATOM 1127 CG TRP B 184 -23.592 -6.885 5.751 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -23.864 -6.845 7.089 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -24.666 -7.613 5.145 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -25.042 -7.503 7.351 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -25.553 -7.983 6.174 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -24.964 -7.988 3.832 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -26.717 -8.708 5.929 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -26.119 -8.708 3.590 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -26.983 -9.061 4.634 1.00 0.00 C ATOM 0 H TRP B 184 -22.318 -4.035 3.799 1.00 0.00 H new ATOM 0 HA TRP B 184 -22.417 -4.830 6.630 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -22.647 -6.149 4.001 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -21.577 -6.997 5.100 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -23.244 -6.366 7.832 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -25.466 -7.616 8.272 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -24.303 -7.720 3.021 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -27.385 -8.982 6.732 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -26.359 -9.003 2.579 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -27.878 -9.624 4.412 1.00 0.00 H new ATOM 1146 N LYS B 185 -19.721 -5.514 4.868 1.00 0.00 N ATOM 1147 CA LYS B 185 -18.264 -5.563 4.925 1.00 0.00 C ATOM 1148 C LYS B 185 -17.649 -4.345 4.244 1.00 0.00 C ATOM 1149 O LYS B 185 -18.328 -3.615 3.522 1.00 0.00 O ATOM 1150 CB LYS B 185 -17.750 -6.844 4.264 1.00 0.00 C ATOM 1151 CG LYS B 185 -18.065 -6.933 2.779 1.00 0.00 C ATOM 1152 CD LYS B 185 -18.535 -8.325 2.389 1.00 0.00 C ATOM 1153 CE LYS B 185 -17.365 -9.239 2.064 1.00 0.00 C ATOM 1154 NZ LYS B 185 -17.700 -10.672 2.288 1.00 0.00 N ATOM 0 H LYS B 185 -20.126 -5.953 4.041 1.00 0.00 H new ATOM 0 HA LYS B 185 -17.967 -5.558 5.974 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -16.671 -6.906 4.402 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -18.186 -7.705 4.771 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -18.835 -6.204 2.525 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -17.178 -6.673 2.202 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -19.118 -8.755 3.204 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -19.196 -8.258 1.525 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -17.069 -9.094 1.025 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -16.509 -8.966 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -16.876 -11.262 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -17.958 -10.816 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -18.501 -10.940 1.681 1.00 0.00 H new ATOM 1168 N HIS B 186 -16.356 -4.135 4.474 1.00 0.00 N ATOM 1169 CA HIS B 186 -15.645 -3.009 3.878 1.00 0.00 C ATOM 1170 C HIS B 186 -14.568 -3.498 2.915 1.00 0.00 C ATOM 1171 O HIS B 186 -13.445 -3.794 3.324 1.00 0.00 O ATOM 1172 CB HIS B 186 -15.014 -2.142 4.969 1.00 0.00 C ATOM 1173 CG HIS B 186 -15.947 -1.820 6.095 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -17.112 -1.101 5.927 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -15.882 -2.124 7.414 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -17.722 -0.975 7.092 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -16.997 -1.588 8.010 1.00 0.00 N ATOM 0 H HIS B 186 -15.779 -4.730 5.069 1.00 0.00 H new ATOM 0 HA HIS B 186 -16.364 -2.410 3.319 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -14.140 -2.655 5.369 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -14.661 -1.212 4.523 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -15.099 -2.683 7.905 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -18.655 -0.459 7.264 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -17.228 -1.653 9.001 1.00 0.00 H new ATOM 1186 N TRP B 187 -14.917 -3.582 1.635 1.00 0.00 N ATOM 1187 CA TRP B 187 -13.977 -4.038 0.615 1.00 0.00 C ATOM 1188 C TRP B 187 -13.568 -2.889 -0.303 1.00 0.00 C ATOM 1189 O TRP B 187 -14.389 -2.356 -1.049 1.00 0.00 O ATOM 1190 CB TRP B 187 -14.595 -5.173 -0.206 1.00 0.00 C ATOM 1191 CG TRP B 187 -13.696 -5.687 -1.291 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -12.756 -6.670 -1.180 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -13.655 -5.243 -2.652 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -12.132 -6.865 -2.388 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -12.666 -6.001 -3.308 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -14.359 -4.279 -3.379 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -12.364 -5.823 -4.656 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -14.058 -4.104 -4.717 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -13.069 -4.873 -5.343 1.00 0.00 C ATOM 0 H TRP B 187 -15.842 -3.341 1.279 1.00 0.00 H new ATOM 0 HA TRP B 187 -13.084 -4.409 1.118 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -14.852 -5.995 0.462 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -15.526 -4.823 -0.652 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -12.535 -7.215 -0.274 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -11.392 -7.543 -2.571 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -15.124 -3.682 -2.904 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -11.601 -6.414 -5.141 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -14.595 -3.362 -5.289 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -12.858 -4.713 -6.390 1.00 0.00 H new ATOM 1210 N VAL B 188 -12.292 -2.521 -0.243 1.00 0.00 N ATOM 1211 CA VAL B 188 -11.759 -1.439 -1.067 1.00 0.00 C ATOM 1212 C VAL B 188 -10.247 -1.591 -1.245 1.00 0.00 C ATOM 1213 O VAL B 188 -9.795 -2.194 -2.219 1.00 0.00 O ATOM 1214 CB VAL B 188 -12.092 -0.053 -0.468 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.342 1.058 -1.193 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -13.593 0.195 -0.524 1.00 0.00 C ATOM 0 H VAL B 188 -11.604 -2.958 0.370 1.00 0.00 H new ATOM 0 HA VAL B 188 -12.237 -1.505 -2.045 1.00 0.00 H new ATOM 0 HB VAL B 188 -11.770 -0.048 0.573 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.598 2.020 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -10.269 0.891 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -11.623 1.059 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -13.816 1.174 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -13.928 0.164 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -14.111 -0.575 0.048 1.00 0.00 H new ATOM 1226 N TYR B 189 -9.460 -1.057 -0.308 1.00 0.00 N ATOM 1227 CA TYR B 189 -8.008 -1.166 -0.397 1.00 0.00 C ATOM 1228 C TYR B 189 -7.473 -0.421 -1.618 1.00 0.00 C ATOM 1229 O TYR B 189 -8.001 -0.556 -2.721 1.00 0.00 O ATOM 1230 CB TYR B 189 -7.597 -2.639 -0.466 1.00 0.00 C ATOM 1231 CG TYR B 189 -6.409 -2.976 0.400 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -5.119 -2.667 -0.009 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -6.577 -3.602 1.627 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -4.029 -2.972 0.780 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -5.492 -3.911 2.423 1.00 0.00 C ATOM 1236 CZ TYR B 189 -4.220 -3.595 1.995 1.00 0.00 C ATOM 1237 OH TYR B 189 -3.137 -3.905 2.783 1.00 0.00 O ATOM 0 H TYR B 189 -9.801 -0.552 0.510 1.00 0.00 H new ATOM 0 HA TYR B 189 -7.579 -0.711 0.496 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -8.442 -3.258 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -7.366 -2.895 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -4.966 -2.180 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -7.572 -3.851 1.965 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -3.032 -2.724 0.448 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -5.639 -4.398 3.376 1.00 0.00 H new ATOM 0 HH TYR B 189 -2.324 -3.534 2.382 1.00 0.00 H new ATOM 1247 N TYR B 190 -6.416 0.359 -1.408 1.00 0.00 N ATOM 1248 CA TYR B 190 -5.794 1.128 -2.483 1.00 0.00 C ATOM 1249 C TYR B 190 -6.773 2.117 -3.099 1.00 0.00 C ATOM 1250 O TYR B 190 -7.909 1.770 -3.423 1.00 0.00 O ATOM 1251 CB TYR B 190 -5.245 0.198 -3.564 1.00 0.00 C ATOM 1252 CG TYR B 190 -4.455 0.903 -4.649 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -3.783 2.094 -4.391 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -4.372 0.372 -5.932 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -3.058 2.734 -5.377 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -3.646 1.007 -6.922 1.00 0.00 C ATOM 1257 CZ TYR B 190 -2.992 2.187 -6.640 1.00 0.00 C ATOM 1258 OH TYR B 190 -2.269 2.822 -7.623 1.00 0.00 O ATOM 0 H TYR B 190 -5.970 0.476 -0.498 1.00 0.00 H new ATOM 0 HA TYR B 190 -4.970 1.691 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -4.607 -0.550 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -6.076 -0.336 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -3.829 2.526 -3.402 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -4.883 -0.552 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -2.545 3.659 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -3.591 0.580 -7.913 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.323 2.306 -8.454 1.00 0.00 H new ATOM 1268 N THR B 191 -6.314 3.354 -3.246 1.00 0.00 N ATOM 1269 CA THR B 191 -7.120 4.439 -3.815 1.00 0.00 C ATOM 1270 C THR B 191 -8.043 3.941 -4.925 1.00 0.00 C ATOM 1271 O THR B 191 -7.585 3.424 -5.944 1.00 0.00 O ATOM 1272 CB THR B 191 -6.211 5.548 -4.351 1.00 0.00 C ATOM 1273 OG1 THR B 191 -6.928 6.415 -5.210 1.00 0.00 O ATOM 1274 CG2 THR B 191 -5.016 5.028 -5.120 1.00 0.00 C ATOM 0 H THR B 191 -5.373 3.638 -2.975 1.00 0.00 H new ATOM 0 HA THR B 191 -7.746 4.835 -3.015 1.00 0.00 H new ATOM 0 HB THR B 191 -5.852 6.075 -3.467 1.00 0.00 H new ATOM 0 HG1 THR B 191 -6.329 7.117 -5.540 1.00 0.00 H new ATOM 0 HG21 THR B 191 -4.416 5.867 -5.471 1.00 0.00 H new ATOM 0 HG22 THR B 191 -4.411 4.396 -4.469 1.00 0.00 H new ATOM 0 HG23 THR B 191 -5.359 4.445 -5.975 1.00 0.00 H new ATOM 1282 N CYS B 192 -9.346 4.103 -4.710 1.00 0.00 N ATOM 1283 CA CYS B 192 -10.352 3.675 -5.677 1.00 0.00 C ATOM 1284 C CYS B 192 -11.737 3.867 -5.131 1.00 0.00 C ATOM 1285 O CYS B 192 -12.679 4.198 -5.852 1.00 0.00 O ATOM 1286 CB CYS B 192 -10.217 2.172 -5.995 1.00 0.00 C ATOM 1287 SG CYS B 192 -11.054 1.035 -4.794 1.00 0.00 S ATOM 0 H CYS B 192 -9.731 4.531 -3.868 1.00 0.00 H new ATOM 0 HA CYS B 192 -10.193 4.278 -6.571 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -10.625 1.989 -6.989 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -9.158 1.918 -6.033 1.00 0.00 H new ATOM 1292 N CYS B 193 -11.867 3.513 -3.871 1.00 0.00 N ATOM 1293 CA CYS B 193 -13.148 3.491 -3.236 1.00 0.00 C ATOM 1294 C CYS B 193 -13.030 3.788 -1.737 1.00 0.00 C ATOM 1295 O CYS B 193 -11.958 4.159 -1.259 1.00 0.00 O ATOM 1296 CB CYS B 193 -13.718 2.087 -3.499 1.00 0.00 C ATOM 1297 SG CYS B 193 -13.082 1.282 -5.042 1.00 0.00 S ATOM 0 H CYS B 193 -11.090 3.236 -3.271 1.00 0.00 H new ATOM 0 HA CYS B 193 -13.808 4.262 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -13.485 1.448 -2.647 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -14.804 2.154 -3.560 1.00 0.00 H new ATOM 1302 N PRO B 194 -14.130 3.642 -0.973 1.00 0.00 N ATOM 1303 CA PRO B 194 -14.130 3.909 0.470 1.00 0.00 C ATOM 1304 C PRO B 194 -12.932 3.294 1.191 1.00 0.00 C ATOM 1305 O PRO B 194 -12.732 2.081 1.168 1.00 0.00 O ATOM 1306 CB PRO B 194 -15.432 3.263 0.937 1.00 0.00 C ATOM 1307 CG PRO B 194 -16.338 3.391 -0.237 1.00 0.00 C ATOM 1308 CD PRO B 194 -15.463 3.213 -1.448 1.00 0.00 C ATOM 0 HA PRO B 194 -14.057 4.975 0.687 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -15.283 2.219 1.214 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -15.838 3.770 1.812 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -17.125 2.637 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -16.829 4.364 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -15.454 2.178 -1.789 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -15.806 3.821 -2.285 1.00 0.00 H new ATOM 1316 N ASP B 195 -12.141 4.144 1.837 1.00 0.00 N ATOM 1317 CA ASP B 195 -10.962 3.696 2.573 1.00 0.00 C ATOM 1318 C ASP B 195 -11.284 2.488 3.450 1.00 0.00 C ATOM 1319 O ASP B 195 -12.284 2.489 4.164 1.00 0.00 O ATOM 1320 CB ASP B 195 -10.426 4.839 3.438 1.00 0.00 C ATOM 1321 CG ASP B 195 -11.516 5.513 4.248 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -12.067 4.861 5.160 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -11.815 6.694 3.973 1.00 0.00 O ATOM 0 H ASP B 195 -12.295 5.152 1.866 1.00 0.00 H new ATOM 0 HA ASP B 195 -10.203 3.397 1.850 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -9.662 4.453 4.113 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -9.942 5.578 2.799 1.00 0.00 H new ATOM 1328 N THR B 196 -10.445 1.452 3.366 1.00 0.00 N ATOM 1329 CA THR B 196 -10.630 0.224 4.142 1.00 0.00 C ATOM 1330 C THR B 196 -9.871 0.218 5.485 1.00 0.00 C ATOM 1331 O THR B 196 -8.981 -0.613 5.672 1.00 0.00 O ATOM 1332 CB THR B 196 -10.199 -0.982 3.310 1.00 0.00 C ATOM 1333 OG1 THR B 196 -9.135 -0.638 2.441 1.00 0.00 O ATOM 1334 CG2 THR B 196 -11.314 -1.550 2.465 1.00 0.00 C ATOM 0 H THR B 196 -9.623 1.441 2.762 1.00 0.00 H new ATOM 0 HA THR B 196 -11.692 0.171 4.383 1.00 0.00 H new ATOM 0 HB THR B 196 -9.889 -1.737 4.033 1.00 0.00 H new ATOM 0 HG1 THR B 196 -8.570 -1.424 2.289 1.00 0.00 H new ATOM 0 HG21 THR B 196 -10.942 -2.404 1.899 1.00 0.00 H new ATOM 0 HG22 THR B 196 -12.132 -1.871 3.110 1.00 0.00 H new ATOM 0 HG23 THR B 196 -11.673 -0.786 1.776 1.00 0.00 H new ATOM 1342 N PRO B 197 -10.195 1.104 6.453 1.00 0.00 N ATOM 1343 CA PRO B 197 -9.504 1.120 7.749 1.00 0.00 C ATOM 1344 C PRO B 197 -9.935 -0.038 8.641 1.00 0.00 C ATOM 1345 O PRO B 197 -9.142 -0.561 9.426 1.00 0.00 O ATOM 1346 CB PRO B 197 -9.939 2.449 8.360 1.00 0.00 C ATOM 1347 CG PRO B 197 -11.290 2.684 7.789 1.00 0.00 C ATOM 1348 CD PRO B 197 -11.242 2.139 6.388 1.00 0.00 C ATOM 0 HA PRO B 197 -8.424 1.016 7.642 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -9.970 2.397 9.448 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -9.250 3.252 8.099 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -12.057 2.181 8.378 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -11.535 3.746 7.787 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -12.202 1.719 6.088 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -10.994 2.915 5.664 1.00 0.00 H new ATOM 1356 N TYR B 198 -11.197 -0.434 8.513 1.00 0.00 N ATOM 1357 CA TYR B 198 -11.741 -1.529 9.305 1.00 0.00 C ATOM 1358 C TYR B 198 -11.407 -2.876 8.672 1.00 0.00 C ATOM 1359 O TYR B 198 -11.955 -3.173 7.590 1.00 0.00 O ATOM 1360 CB TYR B 198 -13.257 -1.378 9.442 1.00 0.00 C ATOM 1361 CG TYR B 198 -13.672 -0.344 10.463 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -13.752 -0.665 11.812 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -13.983 0.955 10.079 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -14.130 0.278 12.749 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -14.361 1.903 11.010 1.00 0.00 C ATOM 1366 CZ TYR B 198 -14.434 1.560 12.343 1.00 0.00 C ATOM 1367 OH TYR B 198 -14.810 2.502 13.273 1.00 0.00 O ATOM 0 H TYR B 198 -11.863 -0.011 7.866 1.00 0.00 H new ATOM 0 HA TYR B 198 -11.287 -1.492 10.295 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -13.676 -1.108 8.473 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -13.686 -2.341 9.718 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -13.515 -1.668 12.134 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -13.928 1.228 9.035 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -14.187 0.012 13.794 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -14.598 2.908 10.695 1.00 0.00 H new ATOM 0 HH TYR B 198 -14.988 3.354 12.822 1.00 0.00 H new