USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=27 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 Set 1.1: A 6 THR OG1 : rot 94:sc= -0.758 USER MOD Set 1.2: A 11 SER OG : rot -2:sc= -4.65! USER MOD Set 2.1: A 1 ILE N :NH3+ -132:sc= -0.152 (180deg=-0.383) USER MOD Set 2.2: A 61 ASN : amide:sc= -1.49 K(o=-1.6,f=-5.7!) USER MOD Single : A 10 THR OG1 : rot -167:sc= -0.351! USER MOD Single : A 12 LYS NZ :NH3+ 163:sc=-0.00886 (180deg=-0.148) USER MOD Single : A 16 ASN :FLIP amide:sc= 0.745 F(o=-0.8,f=0.74) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.84 F(o=-2.4,f=-1.8) USER MOD Single : A 21 TYR OH : rot 67:sc= -6.04! USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.517 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 1.09 (180deg=0.814) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0916 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.878 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -0.509 (180deg=-1.32!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 55 GLN : amide:sc= -0.935 K(o=-0.94,f=-2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 63 ASN : amide:sc= -2.42 K(o=-2.4,f=-8.3!) USER MOD Single : A 67 THR OG1 : rot 124:sc= 0.697 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ -177:sc= -1.33 (180deg=-1.39) USER MOD Single : B 186 HIS :FLIP no HE2:sc= 0.0145 F(o=-1.6,f=0.015) USER MOD Single : B 189 TYR OH : rot 180:sc= 0 USER MOD Single : B 190 TYR OH : rot 142:sc= -2.06 USER MOD Single : B 191 THR OG1 : rot 87:sc= -0.313! USER MOD Single : B 196 THR OG1 : rot -100:sc= -5.48! USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 5.892 15.175 0.189 1.00 0.00 N ATOM 2 CA ILE A 1 5.858 14.275 1.371 1.00 0.00 C ATOM 3 C ILE A 1 5.066 13.005 1.070 1.00 0.00 C ATOM 4 O ILE A 1 4.711 12.743 -0.079 1.00 0.00 O ATOM 5 CB ILE A 1 5.241 14.985 2.595 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.789 15.382 2.315 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.066 16.208 2.965 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.885 15.252 3.522 1.00 0.00 C ATOM 0 H1 ILE A 1 6.868 15.491 0.022 1.00 0.00 H new ATOM 0 H2 ILE A 1 5.546 14.663 -0.647 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.286 16.001 0.364 1.00 0.00 H new ATOM 0 HA ILE A 1 6.889 14.006 1.601 1.00 0.00 H new ATOM 0 HB ILE A 1 5.248 14.292 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.764 16.413 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.399 14.759 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.620 16.700 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.084 15.901 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 1 6.086 16.901 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 1 1.872 15.550 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 1 2.880 14.217 3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.251 15.896 4.322 1.00 0.00 H new ATOM 22 N ARG A 2 4.795 12.219 2.108 1.00 0.00 N ATOM 23 CA ARG A 2 4.047 10.975 1.956 1.00 0.00 C ATOM 24 C ARG A 2 4.807 9.986 1.079 1.00 0.00 C ATOM 25 O ARG A 2 5.893 10.288 0.585 1.00 0.00 O ATOM 26 CB ARG A 2 2.664 11.251 1.360 1.00 0.00 C ATOM 27 CG ARG A 2 1.733 11.994 2.304 1.00 0.00 C ATOM 28 CD ARG A 2 0.907 11.031 3.141 1.00 0.00 C ATOM 29 NE ARG A 2 1.727 9.974 3.729 1.00 0.00 N ATOM 30 CZ ARG A 2 2.422 10.113 4.856 1.00 0.00 C ATOM 31 NH1 ARG A 2 2.409 11.265 5.515 1.00 0.00 N ATOM 32 NH2 ARG A 2 3.135 9.098 5.324 1.00 0.00 N ATOM 0 H ARG A 2 5.083 12.422 3.065 1.00 0.00 H new ATOM 0 HA ARG A 2 3.923 10.534 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.781 11.833 0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.203 10.304 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.317 12.640 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.069 12.640 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.402 11.582 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.131 10.584 2.519 1.00 0.00 H new ATOM 0 HE ARG A 2 1.769 9.076 3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.864 12.050 5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.944 11.365 6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.151 8.211 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.668 9.204 6.187 1.00 0.00 H new ATOM 46 N CYS A 3 4.233 8.801 0.895 1.00 0.00 N ATOM 47 CA CYS A 3 4.865 7.769 0.082 1.00 0.00 C ATOM 48 C CYS A 3 3.862 7.113 -0.861 1.00 0.00 C ATOM 49 O CYS A 3 3.850 5.893 -1.010 1.00 0.00 O ATOM 50 CB CYS A 3 5.501 6.707 0.978 1.00 0.00 C ATOM 51 SG CYS A 3 6.671 5.620 0.107 1.00 0.00 S ATOM 0 H CYS A 3 3.335 8.533 1.297 1.00 0.00 H new ATOM 0 HA CYS A 3 5.638 8.247 -0.520 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.020 7.201 1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.713 6.098 1.420 1.00 0.00 H new ATOM 56 N PHE A 4 3.029 7.938 -1.493 1.00 0.00 N ATOM 57 CA PHE A 4 2.008 7.467 -2.432 1.00 0.00 C ATOM 58 C PHE A 4 1.185 6.315 -1.856 1.00 0.00 C ATOM 59 O PHE A 4 1.723 5.371 -1.284 1.00 0.00 O ATOM 60 CB PHE A 4 2.627 7.056 -3.777 1.00 0.00 C ATOM 61 CG PHE A 4 3.862 6.205 -3.669 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.113 6.784 -3.525 1.00 0.00 C ATOM 63 CD2 PHE A 4 3.770 4.824 -3.718 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.248 6.001 -3.430 1.00 0.00 C ATOM 65 CE2 PHE A 4 4.901 4.036 -3.624 1.00 0.00 C ATOM 66 CZ PHE A 4 6.142 4.625 -3.480 1.00 0.00 C ATOM 0 H PHE A 4 3.041 8.950 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 4 1.334 8.307 -2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.879 6.514 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.872 7.957 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.202 7.860 -3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.803 4.357 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.217 6.465 -3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.815 2.960 -3.663 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.027 4.011 -3.407 1.00 0.00 H new ATOM 76 N ILE A 5 -0.133 6.411 -2.030 1.00 0.00 N ATOM 77 CA ILE A 5 -1.081 5.397 -1.551 1.00 0.00 C ATOM 78 C ILE A 5 -0.652 4.758 -0.225 1.00 0.00 C ATOM 79 O ILE A 5 0.233 3.904 -0.188 1.00 0.00 O ATOM 80 CB ILE A 5 -1.329 4.283 -2.599 1.00 0.00 C ATOM 81 CG1 ILE A 5 -0.069 3.986 -3.423 1.00 0.00 C ATOM 82 CG2 ILE A 5 -2.477 4.676 -3.518 1.00 0.00 C ATOM 83 CD1 ILE A 5 0.862 2.987 -2.773 1.00 0.00 C ATOM 0 H ILE A 5 -0.578 7.195 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.012 5.939 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.593 3.373 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.366 3.609 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.472 4.917 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.643 3.886 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.382 4.820 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.229 5.603 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.729 2.828 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.190 3.370 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.339 2.042 -2.630 1.00 0.00 H new ATOM 95 N THR A 6 -1.305 5.178 0.859 1.00 0.00 N ATOM 96 CA THR A 6 -1.022 4.664 2.203 1.00 0.00 C ATOM 97 C THR A 6 -0.878 3.138 2.209 1.00 0.00 C ATOM 98 O THR A 6 -1.501 2.448 1.402 1.00 0.00 O ATOM 99 CB THR A 6 -2.149 5.077 3.157 1.00 0.00 C ATOM 100 OG1 THR A 6 -2.963 6.075 2.568 1.00 0.00 O ATOM 101 CG2 THR A 6 -1.660 5.615 4.483 1.00 0.00 C ATOM 0 H THR A 6 -2.043 5.882 0.833 1.00 0.00 H new ATOM 0 HA THR A 6 -0.075 5.091 2.533 1.00 0.00 H new ATOM 0 HB THR A 6 -2.709 4.161 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.729 5.653 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.514 5.886 5.103 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.071 4.851 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.042 6.496 4.312 1.00 0.00 H new ATOM 109 N PRO A 7 -0.053 2.590 3.126 1.00 0.00 N ATOM 110 CA PRO A 7 0.163 1.143 3.232 1.00 0.00 C ATOM 111 C PRO A 7 -1.100 0.412 3.677 1.00 0.00 C ATOM 112 O PRO A 7 -1.593 0.647 4.779 1.00 0.00 O ATOM 113 CB PRO A 7 1.250 1.013 4.298 1.00 0.00 C ATOM 114 CG PRO A 7 1.136 2.257 5.099 1.00 0.00 C ATOM 115 CD PRO A 7 0.730 3.329 4.129 1.00 0.00 C ATOM 0 HA PRO A 7 0.438 0.702 2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.096 0.128 4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.238 0.920 3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.396 2.146 5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.083 2.502 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.137 4.106 4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.596 3.819 3.684 1.00 0.00 H new ATOM 123 N ASP A 8 -1.624 -0.461 2.816 1.00 0.00 N ATOM 124 CA ASP A 8 -2.844 -1.212 3.122 1.00 0.00 C ATOM 125 C ASP A 8 -3.991 -0.252 3.434 1.00 0.00 C ATOM 126 O ASP A 8 -3.775 0.815 4.006 1.00 0.00 O ATOM 127 CB ASP A 8 -2.608 -2.187 4.289 1.00 0.00 C ATOM 128 CG ASP A 8 -2.765 -1.543 5.655 1.00 0.00 C ATOM 129 OD1 ASP A 8 -3.903 -1.167 6.007 1.00 0.00 O ATOM 130 OD2 ASP A 8 -1.750 -1.415 6.371 1.00 0.00 O ATOM 0 H ASP A 8 -1.223 -0.666 1.901 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.117 -1.801 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.308 -3.018 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.605 -2.605 4.206 1.00 0.00 H new ATOM 135 N ILE A 9 -5.212 -0.619 3.051 1.00 0.00 N ATOM 136 CA ILE A 9 -6.360 0.248 3.299 1.00 0.00 C ATOM 137 C ILE A 9 -6.137 1.606 2.621 1.00 0.00 C ATOM 138 O ILE A 9 -5.008 1.947 2.268 1.00 0.00 O ATOM 139 CB ILE A 9 -6.560 0.432 4.815 1.00 0.00 C ATOM 140 CG1 ILE A 9 -7.102 -0.866 5.412 1.00 0.00 C ATOM 141 CG2 ILE A 9 -7.490 1.600 5.115 1.00 0.00 C ATOM 142 CD1 ILE A 9 -6.666 -1.105 6.841 1.00 0.00 C ATOM 0 H ILE A 9 -5.430 -1.495 2.576 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.257 -0.211 2.883 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.598 0.665 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.191 -0.847 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.774 -1.704 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.610 1.702 6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.064 2.518 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.462 1.418 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.089 -2.044 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.578 -1.156 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.017 -0.287 7.470 1.00 0.00 H new ATOM 154 N THR A 10 -7.199 2.380 2.435 1.00 0.00 N ATOM 155 CA THR A 10 -7.065 3.686 1.797 1.00 0.00 C ATOM 156 C THR A 10 -6.212 4.619 2.654 1.00 0.00 C ATOM 157 O THR A 10 -5.008 4.744 2.434 1.00 0.00 O ATOM 158 CB THR A 10 -8.435 4.316 1.534 1.00 0.00 C ATOM 159 OG1 THR A 10 -9.154 4.476 2.740 1.00 0.00 O ATOM 160 CG2 THR A 10 -9.297 3.513 0.585 1.00 0.00 C ATOM 0 H THR A 10 -8.149 2.133 2.711 1.00 0.00 H new ATOM 0 HA THR A 10 -6.568 3.538 0.838 1.00 0.00 H new ATOM 0 HB THR A 10 -8.222 5.280 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.090 4.683 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.252 4.019 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.791 3.420 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.469 2.521 1.001 1.00 0.00 H new ATOM 168 N SER A 11 -6.839 5.274 3.631 1.00 0.00 N ATOM 169 CA SER A 11 -6.130 6.196 4.516 1.00 0.00 C ATOM 170 C SER A 11 -5.252 7.157 3.709 1.00 0.00 C ATOM 171 O SER A 11 -5.474 7.346 2.513 1.00 0.00 O ATOM 172 CB SER A 11 -5.289 5.413 5.528 1.00 0.00 C ATOM 173 OG SER A 11 -4.220 4.739 4.893 1.00 0.00 O ATOM 0 H SER A 11 -7.835 5.183 3.829 1.00 0.00 H new ATOM 0 HA SER A 11 -6.865 6.790 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.896 6.094 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.919 4.692 6.048 1.00 0.00 H new ATOM 0 HG SER A 11 -4.266 4.891 3.926 1.00 0.00 H new ATOM 179 N LYS A 12 -4.264 7.769 4.360 1.00 0.00 N ATOM 180 CA LYS A 12 -3.381 8.710 3.677 1.00 0.00 C ATOM 181 C LYS A 12 -1.952 8.645 4.215 1.00 0.00 C ATOM 182 O LYS A 12 -0.991 8.682 3.447 1.00 0.00 O ATOM 183 CB LYS A 12 -3.919 10.133 3.821 1.00 0.00 C ATOM 184 CG LYS A 12 -3.986 10.614 5.260 1.00 0.00 C ATOM 185 CD LYS A 12 -4.891 11.825 5.400 1.00 0.00 C ATOM 186 CE LYS A 12 -6.342 11.416 5.593 1.00 0.00 C ATOM 187 NZ LYS A 12 -6.584 10.849 6.948 1.00 0.00 N ATOM 0 H LYS A 12 -4.057 7.632 5.349 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.356 8.429 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.286 10.812 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.916 10.182 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.352 9.809 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.984 10.865 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.566 12.428 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.803 12.451 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.986 12.282 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.615 10.679 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.605 10.851 7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.225 9.873 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.091 11.426 7.659 1.00 0.00 H new ATOM 201 N ASP A 13 -1.817 8.562 5.535 1.00 0.00 N ATOM 202 CA ASP A 13 -0.500 8.508 6.163 1.00 0.00 C ATOM 203 C ASP A 13 -0.137 7.088 6.586 1.00 0.00 C ATOM 204 O ASP A 13 -0.942 6.384 7.196 1.00 0.00 O ATOM 205 CB ASP A 13 -0.459 9.435 7.379 1.00 0.00 C ATOM 206 CG ASP A 13 -1.588 9.160 8.352 1.00 0.00 C ATOM 207 OD1 ASP A 13 -1.473 8.196 9.137 1.00 0.00 O ATOM 208 OD2 ASP A 13 -2.589 9.907 8.327 1.00 0.00 O ATOM 0 H ASP A 13 -2.599 8.531 6.189 1.00 0.00 H new ATOM 0 HA ASP A 13 0.232 8.838 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.496 9.316 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.515 10.471 7.045 1.00 0.00 H new ATOM 213 N CYS A 14 1.089 6.681 6.268 1.00 0.00 N ATOM 214 CA CYS A 14 1.577 5.352 6.622 1.00 0.00 C ATOM 215 C CYS A 14 2.030 5.336 8.087 1.00 0.00 C ATOM 216 O CYS A 14 2.051 6.381 8.739 1.00 0.00 O ATOM 217 CB CYS A 14 2.717 4.950 5.678 1.00 0.00 C ATOM 218 SG CYS A 14 4.211 5.982 5.832 1.00 0.00 S ATOM 0 H CYS A 14 1.765 7.255 5.764 1.00 0.00 H new ATOM 0 HA CYS A 14 0.773 4.624 6.511 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.985 3.911 5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.358 5.001 4.650 1.00 0.00 H new ATOM 223 N PRO A 15 2.374 4.157 8.644 1.00 0.00 N ATOM 224 CA PRO A 15 2.790 4.037 10.041 1.00 0.00 C ATOM 225 C PRO A 15 4.292 4.219 10.251 1.00 0.00 C ATOM 226 O PRO A 15 4.854 3.702 11.215 1.00 0.00 O ATOM 227 CB PRO A 15 2.377 2.610 10.377 1.00 0.00 C ATOM 228 CG PRO A 15 2.563 1.857 9.102 1.00 0.00 C ATOM 229 CD PRO A 15 2.359 2.844 7.975 1.00 0.00 C ATOM 0 HA PRO A 15 2.342 4.808 10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.993 2.196 11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.342 2.566 10.717 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.559 1.418 9.055 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.849 1.036 9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.150 2.767 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.415 2.670 7.458 1.00 0.00 H new ATOM 237 N ASN A 16 4.936 4.955 9.355 1.00 0.00 N ATOM 238 CA ASN A 16 6.371 5.198 9.466 1.00 0.00 C ATOM 239 C ASN A 16 6.800 6.363 8.577 1.00 0.00 C ATOM 240 O ASN A 16 5.972 6.983 7.910 1.00 0.00 O ATOM 241 CB ASN A 16 7.154 3.934 9.099 1.00 0.00 C ATOM 242 CG ASN A 16 8.066 3.472 10.220 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.319 3.186 9.885 1.00 0.00 O flip ATOM 244 ND2 ASN A 16 7.650 3.375 11.374 1.00 0.00 N flip ATOM 0 H ASN A 16 4.492 5.392 8.547 1.00 0.00 H new ATOM 0 HA ASN A 16 6.591 5.462 10.501 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.454 3.136 8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.749 4.125 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.679 3.605 11.587 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.276 3.065 12.117 1.00 0.00 H new ATOM 251 N GLY A 17 8.096 6.658 8.576 1.00 0.00 N ATOM 252 CA GLY A 17 8.605 7.751 7.767 1.00 0.00 C ATOM 253 C GLY A 17 10.120 7.779 7.709 1.00 0.00 C ATOM 254 O GLY A 17 10.781 8.127 8.687 1.00 0.00 O ATOM 0 H GLY A 17 8.802 6.161 9.120 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.208 7.665 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.243 8.696 8.172 1.00 0.00 H new ATOM 258 N HIS A 18 10.668 7.414 6.555 1.00 0.00 N ATOM 259 CA HIS A 18 12.113 7.396 6.357 1.00 0.00 C ATOM 260 C HIS A 18 12.442 7.343 4.869 1.00 0.00 C ATOM 261 O HIS A 18 12.822 8.347 4.267 1.00 0.00 O ATOM 262 CB HIS A 18 12.733 6.191 7.070 1.00 0.00 C ATOM 263 CG HIS A 18 12.865 6.371 8.550 1.00 0.00 C ATOM 264 ND1 HIS A 18 12.126 5.876 9.573 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 13.853 7.138 9.130 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 12.677 6.349 10.738 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 13.717 7.108 10.444 1.00 0.00 N flip ATOM 0 H HIS A 18 10.130 7.125 5.738 1.00 0.00 H new ATOM 0 HA HIS A 18 12.531 8.310 6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.123 5.310 6.873 1.00 0.00 H new ATOM 0 HB3 HIS A 18 13.719 5.997 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 18 14.619 7.679 8.594 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.318 6.135 11.734 1.00 0.00 H new ATOM 0 HE2 HIS A 18 14.314 7.589 11.117 1.00 0.00 H new ATOM 276 N VAL A 19 12.275 6.163 4.282 1.00 0.00 N ATOM 277 CA VAL A 19 12.533 5.961 2.861 1.00 0.00 C ATOM 278 C VAL A 19 11.331 5.303 2.207 1.00 0.00 C ATOM 279 O VAL A 19 10.714 4.417 2.796 1.00 0.00 O ATOM 280 CB VAL A 19 13.785 5.080 2.614 1.00 0.00 C ATOM 281 CG1 VAL A 19 14.966 5.940 2.193 1.00 0.00 C ATOM 282 CG2 VAL A 19 14.130 4.262 3.851 1.00 0.00 C ATOM 0 H VAL A 19 11.960 5.326 4.773 1.00 0.00 H new ATOM 0 HA VAL A 19 12.716 6.942 2.424 1.00 0.00 H new ATOM 0 HB VAL A 19 13.557 4.386 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.836 5.306 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.720 6.471 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.190 6.661 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.012 3.653 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.334 4.933 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.291 3.613 4.104 1.00 0.00 H new ATOM 292 N CYS A 20 10.996 5.731 0.993 1.00 0.00 N ATOM 293 CA CYS A 20 9.860 5.150 0.287 1.00 0.00 C ATOM 294 C CYS A 20 10.179 3.714 -0.085 1.00 0.00 C ATOM 295 O CYS A 20 10.398 3.377 -1.248 1.00 0.00 O ATOM 296 CB CYS A 20 9.496 5.968 -0.951 1.00 0.00 C ATOM 297 SG CYS A 20 7.953 6.920 -0.778 1.00 0.00 S ATOM 0 H CYS A 20 11.487 6.467 0.485 1.00 0.00 H new ATOM 0 HA CYS A 20 8.993 5.165 0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.312 6.655 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.403 5.296 -1.804 1.00 0.00 H new ATOM 302 N TYR A 21 10.222 2.891 0.942 1.00 0.00 N ATOM 303 CA TYR A 21 10.540 1.482 0.820 1.00 0.00 C ATOM 304 C TYR A 21 9.451 0.707 0.093 1.00 0.00 C ATOM 305 O TYR A 21 8.607 0.067 0.716 1.00 0.00 O ATOM 306 CB TYR A 21 10.741 0.914 2.225 1.00 0.00 C ATOM 307 CG TYR A 21 11.737 -0.213 2.325 1.00 0.00 C ATOM 308 CD1 TYR A 21 12.697 -0.422 1.345 1.00 0.00 C ATOM 309 CD2 TYR A 21 11.710 -1.071 3.413 1.00 0.00 C ATOM 310 CE1 TYR A 21 13.600 -1.459 1.448 1.00 0.00 C ATOM 311 CE2 TYR A 21 12.611 -2.111 3.524 1.00 0.00 C ATOM 312 CZ TYR A 21 13.554 -2.300 2.538 1.00 0.00 C ATOM 313 OH TYR A 21 14.452 -3.334 2.639 1.00 0.00 O ATOM 0 H TYR A 21 10.034 3.186 1.900 1.00 0.00 H new ATOM 0 HA TYR A 21 11.448 1.379 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.062 1.721 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.779 0.562 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.737 0.237 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.972 -0.924 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.341 -1.611 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.577 -2.772 4.378 1.00 0.00 H new ATOM 0 HH TYR A 21 15.354 -2.973 2.764 1.00 0.00 H new ATOM 323 N THR A 22 9.486 0.744 -1.229 1.00 0.00 N ATOM 324 CA THR A 22 8.498 0.015 -2.016 1.00 0.00 C ATOM 325 C THR A 22 8.757 -1.477 -1.895 1.00 0.00 C ATOM 326 O THR A 22 9.355 -2.091 -2.777 1.00 0.00 O ATOM 327 CB THR A 22 8.540 0.448 -3.482 1.00 0.00 C ATOM 328 OG1 THR A 22 9.016 1.778 -3.599 1.00 0.00 O ATOM 329 CG2 THR A 22 7.189 0.383 -4.161 1.00 0.00 C ATOM 0 H THR A 22 10.175 1.261 -1.775 1.00 0.00 H new ATOM 0 HA THR A 22 7.504 0.241 -1.631 1.00 0.00 H new ATOM 0 HB THR A 22 9.212 -0.256 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.991 1.787 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.287 0.703 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.815 -0.641 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.490 1.040 -3.644 1.00 0.00 H new ATOM 337 N LYS A 23 8.325 -2.045 -0.775 1.00 0.00 N ATOM 338 CA LYS A 23 8.539 -3.463 -0.508 1.00 0.00 C ATOM 339 C LYS A 23 7.326 -4.324 -0.812 1.00 0.00 C ATOM 340 O LYS A 23 6.510 -4.603 0.067 1.00 0.00 O ATOM 341 CB LYS A 23 8.974 -3.684 0.942 1.00 0.00 C ATOM 342 CG LYS A 23 8.136 -2.933 1.961 1.00 0.00 C ATOM 343 CD LYS A 23 8.984 -1.959 2.757 1.00 0.00 C ATOM 344 CE LYS A 23 8.131 -1.089 3.666 1.00 0.00 C ATOM 345 NZ LYS A 23 7.585 -1.858 4.819 1.00 0.00 N ATOM 0 H LYS A 23 7.825 -1.547 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 23 9.333 -3.776 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.929 -4.750 1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.015 -3.380 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.338 -2.393 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.660 -3.642 2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.708 -2.511 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.551 -1.326 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.728 -0.256 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.308 -0.662 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.009 -1.229 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.994 -2.638 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.370 -2.244 5.381 1.00 0.00 H new ATOM 359 N THR A 24 7.249 -4.794 -2.050 1.00 0.00 N ATOM 360 CA THR A 24 6.174 -5.682 -2.451 1.00 0.00 C ATOM 361 C THR A 24 6.461 -7.062 -1.873 1.00 0.00 C ATOM 362 O THR A 24 7.099 -7.905 -2.513 1.00 0.00 O ATOM 363 CB THR A 24 6.056 -5.748 -3.975 1.00 0.00 C ATOM 364 OG1 THR A 24 5.208 -6.812 -4.367 1.00 0.00 O ATOM 365 CG2 THR A 24 7.386 -5.942 -4.670 1.00 0.00 C ATOM 0 H THR A 24 7.917 -4.574 -2.789 1.00 0.00 H new ATOM 0 HA THR A 24 5.224 -5.306 -2.072 1.00 0.00 H new ATOM 0 HB THR A 24 5.644 -4.784 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.144 -6.836 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.231 -5.980 -5.748 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.048 -5.110 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.839 -6.875 -4.335 1.00 0.00 H new ATOM 373 N TRP A 25 6.023 -7.259 -0.636 1.00 0.00 N ATOM 374 CA TRP A 25 6.254 -8.508 0.076 1.00 0.00 C ATOM 375 C TRP A 25 4.991 -9.356 0.147 1.00 0.00 C ATOM 376 O TRP A 25 3.879 -8.853 -0.007 1.00 0.00 O ATOM 377 CB TRP A 25 6.752 -8.213 1.497 1.00 0.00 C ATOM 378 CG TRP A 25 5.654 -7.949 2.487 1.00 0.00 C ATOM 379 CD1 TRP A 25 4.509 -7.235 2.277 1.00 0.00 C ATOM 380 CD2 TRP A 25 5.598 -8.408 3.843 1.00 0.00 C ATOM 381 NE1 TRP A 25 3.746 -7.222 3.420 1.00 0.00 N ATOM 382 CE2 TRP A 25 4.394 -7.934 4.395 1.00 0.00 C ATOM 383 CE3 TRP A 25 6.452 -9.174 4.642 1.00 0.00 C ATOM 384 CZ2 TRP A 25 4.023 -8.202 5.711 1.00 0.00 C ATOM 385 CZ3 TRP A 25 6.082 -9.439 5.947 1.00 0.00 C ATOM 386 CH2 TRP A 25 4.877 -8.955 6.470 1.00 0.00 C ATOM 0 H TRP A 25 5.502 -6.563 -0.102 1.00 0.00 H new ATOM 0 HA TRP A 25 7.009 -9.069 -0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.346 -9.058 1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.415 -7.348 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.242 -6.751 1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.844 -6.758 3.525 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.383 -9.552 4.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.095 -7.829 6.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.734 -10.030 6.574 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.616 -9.181 7.493 1.00 0.00 H new ATOM 397 N CYS A 26 5.177 -10.642 0.412 1.00 0.00 N ATOM 398 CA CYS A 26 4.061 -11.565 0.541 1.00 0.00 C ATOM 399 C CYS A 26 3.990 -12.117 1.964 1.00 0.00 C ATOM 400 O CYS A 26 2.947 -12.606 2.396 1.00 0.00 O ATOM 401 CB CYS A 26 4.183 -12.712 -0.466 1.00 0.00 C ATOM 402 SG CYS A 26 2.939 -14.030 -0.253 1.00 0.00 S ATOM 0 H CYS A 26 6.094 -11.069 0.542 1.00 0.00 H new ATOM 0 HA CYS A 26 3.142 -11.019 0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.097 -12.306 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.178 -13.150 -0.382 1.00 0.00 H new ATOM 407 N ASP A 27 5.105 -12.038 2.694 1.00 0.00 N ATOM 408 CA ASP A 27 5.153 -12.533 4.067 1.00 0.00 C ATOM 409 C ASP A 27 5.079 -14.056 4.097 1.00 0.00 C ATOM 410 O ASP A 27 6.031 -14.725 4.499 1.00 0.00 O ATOM 411 CB ASP A 27 4.010 -11.938 4.894 1.00 0.00 C ATOM 412 CG ASP A 27 4.238 -12.082 6.386 1.00 0.00 C ATOM 413 OD1 ASP A 27 5.092 -12.904 6.780 1.00 0.00 O ATOM 414 OD2 ASP A 27 3.560 -11.375 7.161 1.00 0.00 O ATOM 0 H ASP A 27 5.981 -11.638 2.358 1.00 0.00 H new ATOM 0 HA ASP A 27 6.102 -12.222 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.898 -10.882 4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.076 -12.430 4.623 1.00 0.00 H new ATOM 419 N ALA A 28 3.942 -14.601 3.671 1.00 0.00 N ATOM 420 CA ALA A 28 3.752 -16.047 3.653 1.00 0.00 C ATOM 421 C ALA A 28 2.529 -16.440 2.826 1.00 0.00 C ATOM 422 O ALA A 28 2.587 -17.369 2.021 1.00 0.00 O ATOM 423 CB ALA A 28 3.624 -16.577 5.073 1.00 0.00 C ATOM 0 H ALA A 28 3.142 -14.065 3.335 1.00 0.00 H new ATOM 0 HA ALA A 28 4.628 -16.495 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.483 -17.657 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.530 -16.343 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.767 -16.111 5.560 1.00 0.00 H new ATOM 429 N PHE A 29 1.421 -15.734 3.035 1.00 0.00 N ATOM 430 CA PHE A 29 0.185 -16.019 2.312 1.00 0.00 C ATOM 431 C PHE A 29 -0.197 -14.864 1.389 1.00 0.00 C ATOM 432 O PHE A 29 -0.558 -15.079 0.232 1.00 0.00 O ATOM 433 CB PHE A 29 -0.951 -16.295 3.299 1.00 0.00 C ATOM 434 CG PHE A 29 -1.764 -17.511 2.957 1.00 0.00 C ATOM 435 CD1 PHE A 29 -2.429 -17.597 1.744 1.00 0.00 C ATOM 436 CD2 PHE A 29 -1.863 -18.568 3.848 1.00 0.00 C ATOM 437 CE1 PHE A 29 -3.177 -18.715 1.426 1.00 0.00 C ATOM 438 CE2 PHE A 29 -2.610 -19.688 3.535 1.00 0.00 C ATOM 439 CZ PHE A 29 -3.268 -19.762 2.323 1.00 0.00 C ATOM 0 H PHE A 29 1.354 -14.962 3.698 1.00 0.00 H new ATOM 0 HA PHE A 29 0.353 -16.903 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.531 -16.418 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.609 -15.427 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.362 -16.781 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.351 -18.516 4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.690 -18.770 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.679 -20.505 4.238 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.852 -20.636 2.077 1.00 0.00 H new ATOM 449 N CYS A 30 -0.119 -13.642 1.914 1.00 0.00 N ATOM 450 CA CYS A 30 -0.457 -12.438 1.152 1.00 0.00 C ATOM 451 C CYS A 30 -1.709 -12.639 0.297 1.00 0.00 C ATOM 452 O CYS A 30 -1.635 -13.126 -0.831 1.00 0.00 O ATOM 453 CB CYS A 30 0.725 -12.006 0.276 1.00 0.00 C ATOM 454 SG CYS A 30 1.228 -13.220 -0.990 1.00 0.00 S ATOM 0 H CYS A 30 0.178 -13.458 2.872 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.673 -11.647 1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.467 -11.071 -0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.580 -11.800 0.920 1.00 0.00 H new ATOM 459 N SER A 31 -2.860 -12.257 0.843 1.00 0.00 N ATOM 460 CA SER A 31 -4.127 -12.393 0.132 1.00 0.00 C ATOM 461 C SER A 31 -5.131 -11.336 0.588 1.00 0.00 C ATOM 462 O SER A 31 -6.134 -11.653 1.229 1.00 0.00 O ATOM 463 CB SER A 31 -4.707 -13.794 0.346 1.00 0.00 C ATOM 464 OG SER A 31 -5.433 -14.225 -0.792 1.00 0.00 O ATOM 0 H SER A 31 -2.941 -11.851 1.775 1.00 0.00 H new ATOM 0 HA SER A 31 -3.934 -12.244 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.900 -14.497 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.360 -13.791 1.218 1.00 0.00 H new ATOM 0 HG SER A 31 -5.792 -15.123 -0.631 1.00 0.00 H new ATOM 470 N ILE A 32 -4.857 -10.079 0.251 1.00 0.00 N ATOM 471 CA ILE A 32 -5.737 -8.976 0.623 1.00 0.00 C ATOM 472 C ILE A 32 -6.357 -8.330 -0.612 1.00 0.00 C ATOM 473 O ILE A 32 -5.828 -7.353 -1.142 1.00 0.00 O ATOM 474 CB ILE A 32 -4.979 -7.898 1.424 1.00 0.00 C ATOM 475 CG1 ILE A 32 -4.297 -8.522 2.642 1.00 0.00 C ATOM 476 CG2 ILE A 32 -5.924 -6.784 1.855 1.00 0.00 C ATOM 477 CD1 ILE A 32 -2.978 -9.189 2.320 1.00 0.00 C ATOM 0 H ILE A 32 -4.032 -9.799 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.525 -9.396 1.248 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.213 -7.466 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.130 -7.748 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.968 -9.257 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.369 -6.034 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.367 -6.321 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.713 -7.199 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.551 -9.609 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.141 -9.986 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.290 -8.453 1.903 1.00 0.00 H new ATOM 489 N ARG A 33 -7.482 -8.878 -1.062 1.00 0.00 N ATOM 490 CA ARG A 33 -8.176 -8.352 -2.234 1.00 0.00 C ATOM 491 C ARG A 33 -7.324 -8.511 -3.488 1.00 0.00 C ATOM 492 O ARG A 33 -7.596 -9.364 -4.333 1.00 0.00 O ATOM 493 CB ARG A 33 -8.526 -6.876 -2.026 1.00 0.00 C ATOM 494 CG ARG A 33 -9.309 -6.612 -0.751 1.00 0.00 C ATOM 495 CD ARG A 33 -10.793 -6.894 -0.936 1.00 0.00 C ATOM 496 NE ARG A 33 -11.305 -6.335 -2.186 1.00 0.00 N ATOM 497 CZ ARG A 33 -11.459 -5.032 -2.408 1.00 0.00 C ATOM 498 NH1 ARG A 33 -11.157 -4.150 -1.463 1.00 0.00 N ATOM 499 NH2 ARG A 33 -11.916 -4.610 -3.578 1.00 0.00 N ATOM 0 H ARG A 33 -7.933 -9.686 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.096 -8.922 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.606 -6.292 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.107 -6.525 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.917 -7.235 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.170 -5.575 -0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.962 -7.971 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.349 -6.475 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.559 -6.982 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.805 -4.470 -0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.277 -3.153 -1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.149 -5.284 -4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.034 -3.611 -3.749 1.00 0.00 H new ATOM 513 N GLY A 34 -6.292 -7.685 -3.598 1.00 0.00 N ATOM 514 CA GLY A 34 -5.409 -7.743 -4.747 1.00 0.00 C ATOM 515 C GLY A 34 -4.244 -6.781 -4.624 1.00 0.00 C ATOM 516 O GLY A 34 -4.154 -5.805 -5.369 1.00 0.00 O ATOM 0 H GLY A 34 -6.050 -6.973 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.029 -8.758 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.975 -7.512 -5.650 1.00 0.00 H new ATOM 520 N LYS A 35 -3.352 -7.054 -3.676 1.00 0.00 N ATOM 521 CA LYS A 35 -2.186 -6.206 -3.447 1.00 0.00 C ATOM 522 C LYS A 35 -1.448 -5.914 -4.751 1.00 0.00 C ATOM 523 O LYS A 35 -1.013 -6.830 -5.449 1.00 0.00 O ATOM 524 CB LYS A 35 -1.236 -6.869 -2.449 1.00 0.00 C ATOM 525 CG LYS A 35 -0.886 -8.304 -2.805 1.00 0.00 C ATOM 526 CD LYS A 35 -0.633 -9.139 -1.561 1.00 0.00 C ATOM 527 CE LYS A 35 0.639 -8.704 -0.851 1.00 0.00 C ATOM 528 NZ LYS A 35 1.857 -9.232 -1.524 1.00 0.00 N ATOM 0 H LYS A 35 -3.415 -7.858 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.538 -5.260 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.318 -6.284 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.691 -6.850 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.698 -8.746 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.000 -8.317 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.480 -9.048 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.556 -10.191 -1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.684 -7.615 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.615 -9.051 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.660 -9.199 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.692 -10.215 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.072 -8.651 -2.359 1.00 0.00 H new ATOM 542 N ARG A 36 -1.312 -4.631 -5.069 1.00 0.00 N ATOM 543 CA ARG A 36 -0.627 -4.210 -6.285 1.00 0.00 C ATOM 544 C ARG A 36 0.857 -3.979 -6.020 1.00 0.00 C ATOM 545 O ARG A 36 1.701 -4.787 -6.408 1.00 0.00 O ATOM 546 CB ARG A 36 -1.265 -2.933 -6.836 1.00 0.00 C ATOM 547 CG ARG A 36 -2.615 -3.164 -7.493 1.00 0.00 C ATOM 548 CD ARG A 36 -2.470 -3.424 -8.984 1.00 0.00 C ATOM 549 NE ARG A 36 -3.563 -2.835 -9.753 1.00 0.00 N ATOM 550 CZ ARG A 36 -3.505 -2.598 -11.062 1.00 0.00 C ATOM 551 NH1 ARG A 36 -2.410 -2.898 -11.751 1.00 0.00 N ATOM 552 NH2 ARG A 36 -4.545 -2.061 -11.685 1.00 0.00 N ATOM 0 H ARG A 36 -1.668 -3.863 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.725 -5.005 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.383 -2.216 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.589 -2.483 -7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.111 -4.012 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.252 -2.294 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.521 -3.016 -9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.439 -4.499 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.421 -2.591 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.607 -3.312 -11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.372 -2.714 -12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.389 -1.830 -11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.501 -1.879 -12.688 1.00 0.00 H new ATOM 566 N VAL A 37 1.169 -2.872 -5.355 1.00 0.00 N ATOM 567 CA VAL A 37 2.550 -2.535 -5.036 1.00 0.00 C ATOM 568 C VAL A 37 2.629 -1.665 -3.784 1.00 0.00 C ATOM 569 O VAL A 37 2.013 -0.601 -3.716 1.00 0.00 O ATOM 570 CB VAL A 37 3.235 -1.798 -6.203 1.00 0.00 C ATOM 571 CG1 VAL A 37 4.718 -1.611 -5.921 1.00 0.00 C ATOM 572 CG2 VAL A 37 3.025 -2.552 -7.508 1.00 0.00 C ATOM 0 H VAL A 37 0.483 -2.193 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 37 3.070 -3.476 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 37 2.780 -0.812 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.184 -1.089 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.844 -1.025 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.190 -2.585 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.516 -2.016 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.451 -3.552 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.958 -2.629 -7.716 1.00 0.00 H new ATOM 582 N ASP A 38 3.392 -2.125 -2.797 1.00 0.00 N ATOM 583 CA ASP A 38 3.553 -1.389 -1.547 1.00 0.00 C ATOM 584 C ASP A 38 4.114 0.007 -1.805 1.00 0.00 C ATOM 585 O ASP A 38 4.162 0.465 -2.947 1.00 0.00 O ATOM 586 CB ASP A 38 4.475 -2.155 -0.596 1.00 0.00 C ATOM 587 CG ASP A 38 3.968 -2.144 0.833 1.00 0.00 C ATOM 588 OD1 ASP A 38 4.327 -1.211 1.582 1.00 0.00 O ATOM 589 OD2 ASP A 38 3.213 -3.067 1.203 1.00 0.00 O ATOM 0 H ASP A 38 3.908 -3.004 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 38 2.571 -1.286 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.569 -3.186 -0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.472 -1.716 -0.628 1.00 0.00 H new ATOM 594 N LEU A 39 4.537 0.678 -0.737 1.00 0.00 N ATOM 595 CA LEU A 39 5.095 2.021 -0.852 1.00 0.00 C ATOM 596 C LEU A 39 6.399 2.141 -0.075 1.00 0.00 C ATOM 597 O LEU A 39 7.471 2.267 -0.663 1.00 0.00 O ATOM 598 CB LEU A 39 4.097 3.068 -0.351 1.00 0.00 C ATOM 599 CG LEU A 39 3.104 2.587 0.708 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.468 3.778 1.405 1.00 0.00 C ATOM 601 CD2 LEU A 39 2.040 1.697 0.083 1.00 0.00 C ATOM 0 H LEU A 39 4.504 0.314 0.215 1.00 0.00 H new ATOM 0 HA LEU A 39 5.300 2.203 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.656 3.909 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.534 3.444 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 39 3.643 1.997 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.762 3.425 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.243 4.375 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.942 4.390 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.344 1.366 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.498 2.258 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.515 0.829 -0.374 1.00 0.00 H new ATOM 613 N GLY A 40 6.297 2.107 1.249 1.00 0.00 N ATOM 614 CA GLY A 40 7.475 2.213 2.091 1.00 0.00 C ATOM 615 C GLY A 40 7.136 2.497 3.537 1.00 0.00 C ATOM 616 O GLY A 40 6.089 2.075 4.028 1.00 0.00 O ATOM 0 H GLY A 40 5.417 2.008 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.044 1.285 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.118 3.006 1.710 1.00 0.00 H new ATOM 620 N CYS A 41 8.035 3.204 4.220 1.00 0.00 N ATOM 621 CA CYS A 41 7.854 3.550 5.631 1.00 0.00 C ATOM 622 C CYS A 41 8.323 2.408 6.526 1.00 0.00 C ATOM 623 O CYS A 41 7.513 1.646 7.056 1.00 0.00 O ATOM 624 CB CYS A 41 6.390 3.888 5.942 1.00 0.00 C ATOM 625 SG CYS A 41 5.599 4.993 4.730 1.00 0.00 S ATOM 0 H CYS A 41 8.904 3.552 3.815 1.00 0.00 H new ATOM 0 HA CYS A 41 8.459 4.434 5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.820 2.961 5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.338 4.352 6.927 1.00 0.00 H new ATOM 630 N ALA A 42 9.637 2.294 6.688 1.00 0.00 N ATOM 631 CA ALA A 42 10.218 1.244 7.517 1.00 0.00 C ATOM 632 C ALA A 42 11.657 1.578 7.895 1.00 0.00 C ATOM 633 O ALA A 42 12.177 2.632 7.527 1.00 0.00 O ATOM 634 CB ALA A 42 10.158 -0.093 6.793 1.00 0.00 C ATOM 0 H ALA A 42 10.320 2.916 6.256 1.00 0.00 H new ATOM 0 HA ALA A 42 9.635 1.174 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.595 -0.868 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.119 -0.344 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.717 -0.027 5.859 1.00 0.00 H new ATOM 640 N ALA A 43 12.298 0.675 8.631 1.00 0.00 N ATOM 641 CA ALA A 43 13.678 0.877 9.054 1.00 0.00 C ATOM 642 C ALA A 43 14.593 1.080 7.852 1.00 0.00 C ATOM 643 O ALA A 43 14.158 0.971 6.705 1.00 0.00 O ATOM 644 CB ALA A 43 14.155 -0.303 9.888 1.00 0.00 C ATOM 0 H ALA A 43 11.884 -0.202 8.946 1.00 0.00 H new ATOM 0 HA ALA A 43 13.716 1.778 9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.187 -0.137 10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.524 -0.403 10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.096 -1.215 9.295 1.00 0.00 H new ATOM 650 N THR A 44 15.860 1.373 8.120 1.00 0.00 N ATOM 651 CA THR A 44 16.833 1.589 7.055 1.00 0.00 C ATOM 652 C THR A 44 16.914 0.370 6.140 1.00 0.00 C ATOM 653 O THR A 44 16.941 -0.766 6.611 1.00 0.00 O ATOM 654 CB THR A 44 18.209 1.894 7.649 1.00 0.00 C ATOM 655 OG1 THR A 44 18.088 2.364 8.979 1.00 0.00 O ATOM 656 CG2 THR A 44 18.981 2.932 6.864 1.00 0.00 C ATOM 0 H THR A 44 16.237 1.466 9.063 1.00 0.00 H new ATOM 0 HA THR A 44 16.506 2.443 6.462 1.00 0.00 H new ATOM 0 HB THR A 44 18.756 0.952 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.979 2.552 9.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.948 3.102 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.134 2.578 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.418 3.865 6.843 1.00 0.00 H new ATOM 664 N CYS A 45 16.948 0.623 4.832 1.00 0.00 N ATOM 665 CA CYS A 45 17.021 -0.438 3.822 1.00 0.00 C ATOM 666 C CYS A 45 17.940 -1.583 4.263 1.00 0.00 C ATOM 667 O CYS A 45 19.156 -1.516 4.081 1.00 0.00 O ATOM 668 CB CYS A 45 17.517 0.152 2.501 1.00 0.00 C ATOM 669 SG CYS A 45 16.525 -0.331 1.055 1.00 0.00 S ATOM 0 H CYS A 45 16.926 1.565 4.441 1.00 0.00 H new ATOM 0 HA CYS A 45 16.021 -0.852 3.693 1.00 0.00 H new ATOM 0 HB2 CYS A 45 17.521 1.239 2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.549 -0.159 2.341 1.00 0.00 H new ATOM 674 N PRO A 46 17.371 -2.638 4.881 1.00 0.00 N ATOM 675 CA PRO A 46 18.122 -3.778 5.382 1.00 0.00 C ATOM 676 C PRO A 46 18.085 -5.009 4.470 1.00 0.00 C ATOM 677 O PRO A 46 19.120 -5.458 3.978 1.00 0.00 O ATOM 678 CB PRO A 46 17.388 -4.075 6.694 1.00 0.00 C ATOM 679 CG PRO A 46 15.996 -3.517 6.525 1.00 0.00 C ATOM 680 CD PRO A 46 15.952 -2.803 5.192 1.00 0.00 C ATOM 0 HA PRO A 46 19.186 -3.556 5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.358 -5.147 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.895 -3.610 7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.256 -4.317 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.757 -2.830 7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.435 -3.390 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.436 -1.845 5.260 1.00 0.00 H new ATOM 688 N THR A 47 16.892 -5.570 4.277 1.00 0.00 N ATOM 689 CA THR A 47 16.723 -6.766 3.464 1.00 0.00 C ATOM 690 C THR A 47 16.846 -6.469 1.976 1.00 0.00 C ATOM 691 O THR A 47 17.927 -6.611 1.405 1.00 0.00 O ATOM 692 CB THR A 47 15.379 -7.449 3.771 1.00 0.00 C ATOM 693 OG1 THR A 47 14.977 -8.280 2.692 1.00 0.00 O ATOM 694 CG2 THR A 47 14.247 -6.481 4.065 1.00 0.00 C ATOM 0 H THR A 47 16.025 -5.210 4.677 1.00 0.00 H new ATOM 0 HA THR A 47 17.531 -7.449 3.726 1.00 0.00 H new ATOM 0 HB THR A 47 15.562 -8.033 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.121 -8.706 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.334 -7.040 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.504 -5.873 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.089 -5.834 3.203 1.00 0.00 H new ATOM 702 N VAL A 48 15.742 -6.086 1.330 1.00 0.00 N ATOM 703 CA VAL A 48 15.785 -5.820 -0.100 1.00 0.00 C ATOM 704 C VAL A 48 16.227 -7.085 -0.819 1.00 0.00 C ATOM 705 O VAL A 48 16.969 -7.044 -1.800 1.00 0.00 O ATOM 706 CB VAL A 48 16.779 -4.696 -0.411 1.00 0.00 C ATOM 707 CG1 VAL A 48 16.779 -4.356 -1.896 1.00 0.00 C ATOM 708 CG2 VAL A 48 16.469 -3.470 0.422 1.00 0.00 C ATOM 0 H VAL A 48 14.829 -5.957 1.767 1.00 0.00 H new ATOM 0 HA VAL A 48 14.794 -5.514 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 48 17.778 -5.046 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.494 -3.555 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.061 -5.238 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.782 -4.031 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.184 -2.681 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.460 -3.123 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.539 -3.722 1.480 1.00 0.00 H new ATOM 718 N LYS A 49 15.798 -8.211 -0.272 1.00 0.00 N ATOM 719 CA LYS A 49 16.173 -9.516 -0.795 1.00 0.00 C ATOM 720 C LYS A 49 15.117 -10.565 -0.437 1.00 0.00 C ATOM 721 O LYS A 49 13.969 -10.223 -0.176 1.00 0.00 O ATOM 722 CB LYS A 49 17.539 -9.897 -0.209 1.00 0.00 C ATOM 723 CG LYS A 49 17.741 -9.404 1.222 1.00 0.00 C ATOM 724 CD LYS A 49 18.018 -10.552 2.175 1.00 0.00 C ATOM 725 CE LYS A 49 19.478 -10.975 2.135 1.00 0.00 C ATOM 726 NZ LYS A 49 20.400 -9.807 2.201 1.00 0.00 N ATOM 0 H LYS A 49 15.184 -8.247 0.542 1.00 0.00 H new ATOM 0 HA LYS A 49 16.237 -9.475 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.646 -10.981 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.326 -9.486 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.571 -8.698 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.853 -8.864 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.753 -10.255 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.386 -11.401 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.684 -11.647 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.668 -11.535 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.299 -10.098 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.579 -9.451 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.967 -9.055 2.773 1.00 0.00 H new ATOM 740 N THR A 50 15.507 -11.841 -0.423 1.00 0.00 N ATOM 741 CA THR A 50 14.584 -12.928 -0.088 1.00 0.00 C ATOM 742 C THR A 50 13.255 -12.782 -0.830 1.00 0.00 C ATOM 743 O THR A 50 13.137 -11.977 -1.753 1.00 0.00 O ATOM 744 CB THR A 50 14.335 -12.961 1.423 1.00 0.00 C ATOM 745 OG1 THR A 50 13.637 -11.803 1.842 1.00 0.00 O ATOM 746 CG2 THR A 50 15.608 -13.049 2.237 1.00 0.00 C ATOM 0 H THR A 50 16.455 -12.147 -0.640 1.00 0.00 H new ATOM 0 HA THR A 50 15.045 -13.865 -0.401 1.00 0.00 H new ATOM 0 HB THR A 50 13.747 -13.862 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.487 -11.844 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 50 15.361 -13.069 3.298 1.00 0.00 H new ATOM 0 HG22 THR A 50 16.146 -13.959 1.973 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.235 -12.183 2.027 1.00 0.00 H new ATOM 754 N GLY A 51 12.258 -13.565 -0.419 1.00 0.00 N ATOM 755 CA GLY A 51 10.951 -13.503 -1.055 1.00 0.00 C ATOM 756 C GLY A 51 10.210 -12.219 -0.731 1.00 0.00 C ATOM 757 O GLY A 51 9.131 -12.246 -0.141 1.00 0.00 O ATOM 0 H GLY A 51 12.332 -14.240 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.071 -13.587 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.353 -14.356 -0.733 1.00 0.00 H new ATOM 761 N VAL A 52 10.799 -11.094 -1.124 1.00 0.00 N ATOM 762 CA VAL A 52 10.215 -9.778 -0.885 1.00 0.00 C ATOM 763 C VAL A 52 10.903 -8.742 -1.769 1.00 0.00 C ATOM 764 O VAL A 52 12.058 -8.387 -1.532 1.00 0.00 O ATOM 765 CB VAL A 52 10.355 -9.362 0.595 1.00 0.00 C ATOM 766 CG1 VAL A 52 9.349 -10.105 1.457 1.00 0.00 C ATOM 767 CG2 VAL A 52 11.763 -9.618 1.097 1.00 0.00 C ATOM 0 H VAL A 52 11.692 -11.068 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 52 9.154 -9.831 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 52 10.153 -8.293 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.464 -9.798 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.339 -9.873 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.521 -11.178 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.837 -9.317 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.994 -10.680 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.472 -9.042 0.502 1.00 0.00 H new ATOM 777 N ASP A 53 10.203 -8.268 -2.797 1.00 0.00 N ATOM 778 CA ASP A 53 10.778 -7.286 -3.713 1.00 0.00 C ATOM 779 C ASP A 53 10.779 -5.900 -3.088 1.00 0.00 C ATOM 780 O ASP A 53 9.851 -5.537 -2.369 1.00 0.00 O ATOM 781 CB ASP A 53 10.010 -7.275 -5.037 1.00 0.00 C ATOM 782 CG ASP A 53 10.795 -7.918 -6.163 1.00 0.00 C ATOM 783 OD1 ASP A 53 10.740 -9.160 -6.292 1.00 0.00 O ATOM 784 OD2 ASP A 53 11.466 -7.181 -6.916 1.00 0.00 O ATOM 0 H ASP A 53 9.246 -8.545 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 53 11.811 -7.571 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.064 -7.801 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.769 -6.247 -5.306 1.00 0.00 H new ATOM 789 N ILE A 54 11.834 -5.131 -3.347 1.00 0.00 N ATOM 790 CA ILE A 54 11.941 -3.794 -2.783 1.00 0.00 C ATOM 791 C ILE A 54 12.410 -2.756 -3.795 1.00 0.00 C ATOM 792 O ILE A 54 13.149 -3.052 -4.734 1.00 0.00 O ATOM 793 CB ILE A 54 12.881 -3.782 -1.550 1.00 0.00 C ATOM 794 CG1 ILE A 54 12.062 -3.856 -0.259 1.00 0.00 C ATOM 795 CG2 ILE A 54 13.772 -2.544 -1.534 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.744 -4.635 0.846 1.00 0.00 C ATOM 0 H ILE A 54 12.618 -5.409 -3.938 1.00 0.00 H new ATOM 0 HA ILE A 54 10.932 -3.518 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 54 13.527 -4.658 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.860 -2.844 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.098 -4.317 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 54 14.417 -2.571 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 54 14.386 -2.526 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.151 -1.649 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.107 -4.646 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.922 -5.658 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.695 -4.163 1.090 1.00 0.00 H new ATOM 808 N GLN A 55 11.988 -1.522 -3.544 1.00 0.00 N ATOM 809 CA GLN A 55 12.356 -0.377 -4.357 1.00 0.00 C ATOM 810 C GLN A 55 12.575 0.809 -3.434 1.00 0.00 C ATOM 811 O GLN A 55 11.729 1.698 -3.311 1.00 0.00 O ATOM 812 CB GLN A 55 11.279 -0.063 -5.400 1.00 0.00 C ATOM 813 CG GLN A 55 11.835 0.496 -6.701 1.00 0.00 C ATOM 814 CD GLN A 55 12.924 -0.374 -7.299 1.00 0.00 C ATOM 815 OE1 GLN A 55 14.090 -0.282 -6.913 1.00 0.00 O ATOM 816 NE2 GLN A 55 12.549 -1.224 -8.249 1.00 0.00 N ATOM 0 H GLN A 55 11.375 -1.290 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 55 13.271 -0.599 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.718 -0.972 -5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.575 0.654 -4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.024 0.601 -7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.233 1.495 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.572 -1.267 -8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.238 -1.834 -8.689 1.00 0.00 H new ATOM 825 N CYS A 56 13.714 0.779 -2.760 1.00 0.00 N ATOM 826 CA CYS A 56 14.088 1.810 -1.802 1.00 0.00 C ATOM 827 C CYS A 56 14.217 3.174 -2.481 1.00 0.00 C ATOM 828 O CYS A 56 15.196 3.443 -3.177 1.00 0.00 O ATOM 829 CB CYS A 56 15.410 1.418 -1.132 1.00 0.00 C ATOM 830 SG CYS A 56 15.341 1.277 0.682 1.00 0.00 S ATOM 0 H CYS A 56 14.407 0.038 -2.861 1.00 0.00 H new ATOM 0 HA CYS A 56 13.305 1.891 -1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.739 0.464 -1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 56 16.167 2.157 -1.395 1.00 0.00 H new ATOM 835 N CYS A 57 13.223 4.033 -2.267 1.00 0.00 N ATOM 836 CA CYS A 57 13.224 5.372 -2.850 1.00 0.00 C ATOM 837 C CYS A 57 13.681 6.400 -1.819 1.00 0.00 C ATOM 838 O CYS A 57 13.362 6.290 -0.635 1.00 0.00 O ATOM 839 CB CYS A 57 11.825 5.724 -3.381 1.00 0.00 C ATOM 840 SG CYS A 57 11.509 7.513 -3.592 1.00 0.00 S ATOM 0 H CYS A 57 12.406 3.825 -1.693 1.00 0.00 H new ATOM 0 HA CYS A 57 13.924 5.388 -3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.682 5.229 -4.341 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.080 5.316 -2.698 1.00 0.00 H new ATOM 845 N SER A 58 14.432 7.394 -2.277 1.00 0.00 N ATOM 846 CA SER A 58 14.935 8.437 -1.391 1.00 0.00 C ATOM 847 C SER A 58 14.872 9.808 -2.060 1.00 0.00 C ATOM 848 O SER A 58 15.855 10.550 -2.071 1.00 0.00 O ATOM 849 CB SER A 58 16.374 8.124 -0.973 1.00 0.00 C ATOM 850 OG SER A 58 16.597 8.471 0.383 1.00 0.00 O ATOM 0 H SER A 58 14.706 7.500 -3.254 1.00 0.00 H new ATOM 0 HA SER A 58 14.300 8.462 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.576 7.063 -1.118 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.069 8.671 -1.611 1.00 0.00 H new ATOM 0 HG SER A 58 17.523 8.260 0.627 1.00 0.00 H new ATOM 856 N THR A 59 13.710 10.144 -2.611 1.00 0.00 N ATOM 857 CA THR A 59 13.528 11.431 -3.272 1.00 0.00 C ATOM 858 C THR A 59 12.900 12.443 -2.317 1.00 0.00 C ATOM 859 O THR A 59 12.546 12.106 -1.187 1.00 0.00 O ATOM 860 CB THR A 59 12.668 11.276 -4.531 1.00 0.00 C ATOM 861 OG1 THR A 59 12.707 12.457 -5.312 1.00 0.00 O ATOM 862 CG2 THR A 59 11.213 10.969 -4.244 1.00 0.00 C ATOM 0 H THR A 59 12.884 9.546 -2.613 1.00 0.00 H new ATOM 0 HA THR A 59 14.509 11.802 -3.570 1.00 0.00 H new ATOM 0 HB THR A 59 13.099 10.428 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.154 12.338 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.669 10.874 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.141 10.035 -3.687 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.780 11.777 -3.655 1.00 0.00 H new ATOM 870 N ASP A 60 12.771 13.683 -2.773 1.00 0.00 N ATOM 871 CA ASP A 60 12.194 14.743 -1.954 1.00 0.00 C ATOM 872 C ASP A 60 10.708 14.504 -1.692 1.00 0.00 C ATOM 873 O ASP A 60 10.126 15.112 -0.793 1.00 0.00 O ATOM 874 CB ASP A 60 12.389 16.101 -2.628 1.00 0.00 C ATOM 875 CG ASP A 60 12.379 17.246 -1.634 1.00 0.00 C ATOM 876 OD1 ASP A 60 11.703 17.121 -0.591 1.00 0.00 O ATOM 877 OD2 ASP A 60 13.046 18.268 -1.898 1.00 0.00 O ATOM 0 H ASP A 60 13.058 13.980 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 60 12.713 14.737 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.335 16.102 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.600 16.255 -3.364 1.00 0.00 H new ATOM 882 N ASN A 61 10.093 13.625 -2.480 1.00 0.00 N ATOM 883 CA ASN A 61 8.674 13.329 -2.319 1.00 0.00 C ATOM 884 C ASN A 61 8.376 11.854 -2.582 1.00 0.00 C ATOM 885 O ASN A 61 8.079 11.097 -1.658 1.00 0.00 O ATOM 886 CB ASN A 61 7.842 14.202 -3.260 1.00 0.00 C ATOM 887 CG ASN A 61 7.619 15.597 -2.709 1.00 0.00 C ATOM 888 OD1 ASN A 61 8.566 16.287 -2.332 1.00 0.00 O ATOM 889 ND2 ASN A 61 6.362 16.020 -2.660 1.00 0.00 N ATOM 0 H ASN A 61 10.552 13.109 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 61 8.405 13.550 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.344 14.272 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.878 13.725 -3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.151 16.950 -2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.607 15.415 -2.983 1.00 0.00 H new ATOM 896 N CYS A 62 8.447 11.455 -3.850 1.00 0.00 N ATOM 897 CA CYS A 62 8.173 10.073 -4.241 1.00 0.00 C ATOM 898 C CYS A 62 6.680 9.798 -4.209 1.00 0.00 C ATOM 899 O CYS A 62 6.064 9.789 -3.144 1.00 0.00 O ATOM 900 CB CYS A 62 8.915 9.086 -3.331 1.00 0.00 C ATOM 901 SG CYS A 62 9.569 7.613 -4.190 1.00 0.00 S ATOM 0 H CYS A 62 8.692 12.070 -4.626 1.00 0.00 H new ATOM 0 HA CYS A 62 8.534 9.934 -5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.742 9.607 -2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.239 8.760 -2.541 1.00 0.00 H new ATOM 906 N ASN A 63 6.114 9.582 -5.397 1.00 0.00 N ATOM 907 CA ASN A 63 4.687 9.310 -5.559 1.00 0.00 C ATOM 908 C ASN A 63 4.248 9.597 -6.995 1.00 0.00 C ATOM 909 O ASN A 63 3.531 10.564 -7.254 1.00 0.00 O ATOM 910 CB ASN A 63 3.858 10.157 -4.590 1.00 0.00 C ATOM 911 CG ASN A 63 4.182 11.635 -4.693 1.00 0.00 C ATOM 912 OD1 ASN A 63 5.301 12.016 -5.036 1.00 0.00 O ATOM 913 ND2 ASN A 63 3.200 12.478 -4.394 1.00 0.00 N ATOM 0 H ASN A 63 6.634 9.591 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 63 4.519 8.256 -5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.798 10.005 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.038 9.818 -3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.359 13.484 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.287 12.119 -4.114 1.00 0.00 H new ATOM 920 N PRO A 64 4.681 8.760 -7.955 1.00 0.00 N ATOM 921 CA PRO A 64 4.336 8.933 -9.371 1.00 0.00 C ATOM 922 C PRO A 64 2.857 8.680 -9.655 1.00 0.00 C ATOM 923 O PRO A 64 2.479 7.601 -10.111 1.00 0.00 O ATOM 924 CB PRO A 64 5.200 7.886 -10.080 1.00 0.00 C ATOM 925 CG PRO A 64 5.469 6.850 -9.044 1.00 0.00 C ATOM 926 CD PRO A 64 5.547 7.586 -7.736 1.00 0.00 C ATOM 0 HA PRO A 64 4.515 9.955 -9.705 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.681 7.461 -10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.126 8.324 -10.452 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.676 6.102 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.400 6.323 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.192 6.973 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.570 7.879 -7.500 1.00 0.00 H new ATOM 934 N PHE A 65 2.026 9.687 -9.386 1.00 0.00 N ATOM 935 CA PHE A 65 0.582 9.590 -9.613 1.00 0.00 C ATOM 936 C PHE A 65 0.030 8.233 -9.169 1.00 0.00 C ATOM 937 O PHE A 65 0.014 7.277 -9.944 1.00 0.00 O ATOM 938 CB PHE A 65 0.254 9.829 -11.091 1.00 0.00 C ATOM 939 CG PHE A 65 1.147 9.081 -12.038 1.00 0.00 C ATOM 940 CD1 PHE A 65 2.342 9.635 -12.467 1.00 0.00 C ATOM 941 CD2 PHE A 65 0.791 7.824 -12.500 1.00 0.00 C ATOM 942 CE1 PHE A 65 3.166 8.950 -13.338 1.00 0.00 C ATOM 943 CE2 PHE A 65 1.611 7.133 -13.371 1.00 0.00 C ATOM 944 CZ PHE A 65 2.800 7.697 -13.791 1.00 0.00 C ATOM 0 H PHE A 65 2.329 10.585 -9.008 1.00 0.00 H new ATOM 0 HA PHE A 65 0.104 10.362 -9.010 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.780 9.539 -11.276 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.328 10.896 -11.302 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.633 10.614 -12.116 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.138 7.379 -12.175 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.095 9.393 -13.665 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.323 6.153 -13.723 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.443 7.159 -14.472 1.00 0.00 H new ATOM 954 N PRO A 66 -0.431 8.133 -7.910 1.00 0.00 N ATOM 955 CA PRO A 66 -0.984 6.886 -7.370 1.00 0.00 C ATOM 956 C PRO A 66 -2.329 6.528 -7.995 1.00 0.00 C ATOM 957 O PRO A 66 -3.354 7.127 -7.668 1.00 0.00 O ATOM 958 CB PRO A 66 -1.153 7.188 -5.879 1.00 0.00 C ATOM 959 CG PRO A 66 -1.302 8.668 -5.808 1.00 0.00 C ATOM 960 CD PRO A 66 -0.451 9.223 -6.916 1.00 0.00 C ATOM 0 HA PRO A 66 -0.338 6.033 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.027 6.682 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.290 6.849 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.344 8.962 -5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.977 9.047 -4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.877 10.137 -7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.552 9.468 -6.568 1.00 0.00 H new ATOM 968 N THR A 67 -2.320 5.547 -8.893 1.00 0.00 N ATOM 969 CA THR A 67 -3.542 5.110 -9.558 1.00 0.00 C ATOM 970 C THR A 67 -4.140 3.897 -8.843 1.00 0.00 C ATOM 971 O THR A 67 -4.983 4.046 -7.959 1.00 0.00 O ATOM 972 CB THR A 67 -3.261 4.781 -11.028 1.00 0.00 C ATOM 973 OG1 THR A 67 -2.316 3.731 -11.137 1.00 0.00 O ATOM 974 CG2 THR A 67 -2.728 5.960 -11.815 1.00 0.00 C ATOM 0 H THR A 67 -1.481 5.041 -9.176 1.00 0.00 H new ATOM 0 HA THR A 67 -4.266 5.923 -9.517 1.00 0.00 H new ATOM 0 HB THR A 67 -4.225 4.490 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.697 3.002 -11.670 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.551 5.658 -12.847 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.456 6.771 -11.794 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.793 6.301 -11.371 1.00 0.00 H new ATOM 982 N ARG A 68 -3.694 2.701 -9.222 1.00 0.00 N ATOM 983 CA ARG A 68 -4.180 1.470 -8.608 1.00 0.00 C ATOM 984 C ARG A 68 -5.696 1.336 -8.749 1.00 0.00 C ATOM 985 O ARG A 68 -6.456 2.115 -8.174 1.00 0.00 O ATOM 986 CB ARG A 68 -3.783 1.428 -7.130 1.00 0.00 C ATOM 987 CG ARG A 68 -2.783 0.331 -6.801 1.00 0.00 C ATOM 988 CD ARG A 68 -1.382 0.891 -6.610 1.00 0.00 C ATOM 989 NE ARG A 68 -0.779 1.300 -7.876 1.00 0.00 N ATOM 990 CZ ARG A 68 0.529 1.477 -8.052 1.00 0.00 C ATOM 991 NH1 ARG A 68 1.373 1.283 -7.047 1.00 0.00 N ATOM 992 NH2 ARG A 68 0.993 1.848 -9.238 1.00 0.00 N ATOM 0 H ARG A 68 -2.996 2.560 -9.952 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.720 0.631 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.359 2.392 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.679 1.285 -6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.095 -0.187 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.774 -0.407 -7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.422 1.746 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.752 0.139 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.396 1.459 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.021 0.997 -6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.374 1.420 -7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.348 1.997 -10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.995 1.984 -9.374 1.00 0.00 H new ATOM 1006 N LYS A 69 -6.126 0.336 -9.513 1.00 0.00 N ATOM 1007 CA LYS A 69 -7.549 0.091 -9.726 1.00 0.00 C ATOM 1008 C LYS A 69 -8.238 1.318 -10.317 1.00 0.00 C ATOM 1009 O LYS A 69 -9.336 1.688 -9.899 1.00 0.00 O ATOM 1010 CB LYS A 69 -8.220 -0.302 -8.408 1.00 0.00 C ATOM 1011 CG LYS A 69 -9.418 -1.220 -8.584 1.00 0.00 C ATOM 1012 CD LYS A 69 -8.992 -2.675 -8.702 1.00 0.00 C ATOM 1013 CE LYS A 69 -10.181 -3.616 -8.596 1.00 0.00 C ATOM 1014 NZ LYS A 69 -9.860 -4.825 -7.790 1.00 0.00 N ATOM 0 H LYS A 69 -5.509 -0.318 -9.995 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.647 -0.729 -10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.487 -0.794 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.539 0.602 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.093 -1.105 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.973 -0.929 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.488 -2.831 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.271 -2.909 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.021 -3.090 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.495 -3.918 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.696 -5.442 -7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.075 -5.341 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.585 -4.538 -6.829 1.00 0.00 H new ATOM 1028 N ARG A 70 -7.588 1.943 -11.293 1.00 0.00 N ATOM 1029 CA ARG A 70 -8.140 3.127 -11.943 1.00 0.00 C ATOM 1030 C ARG A 70 -9.049 2.740 -13.109 1.00 0.00 C ATOM 1031 O ARG A 70 -10.188 3.199 -13.195 1.00 0.00 O ATOM 1032 CB ARG A 70 -7.012 4.037 -12.434 1.00 0.00 C ATOM 1033 CG ARG A 70 -6.712 5.191 -11.491 1.00 0.00 C ATOM 1034 CD ARG A 70 -6.140 6.386 -12.237 1.00 0.00 C ATOM 1035 NE ARG A 70 -7.182 7.315 -12.664 1.00 0.00 N ATOM 1036 CZ ARG A 70 -7.946 8.011 -11.825 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -7.796 7.878 -10.513 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -8.864 8.842 -12.299 1.00 0.00 N ATOM 0 H ARG A 70 -6.679 1.650 -11.651 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.738 3.667 -11.209 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.108 3.443 -12.568 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.278 4.437 -13.412 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.625 5.487 -10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.005 4.865 -10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.430 6.908 -11.595 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.586 6.038 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.334 7.438 -13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.092 7.240 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.385 8.414 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.985 8.948 -13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.450 9.375 -11.656 1.00 0.00 H new ATOM 1052 N PRO A 71 -8.559 1.886 -14.026 1.00 0.00 N ATOM 1053 CA PRO A 71 -9.340 1.443 -15.187 1.00 0.00 C ATOM 1054 C PRO A 71 -10.719 0.924 -14.793 1.00 0.00 C ATOM 1055 O PRO A 71 -11.714 1.630 -15.056 1.00 0.00 O ATOM 1056 CB PRO A 71 -8.492 0.314 -15.775 1.00 0.00 C ATOM 1057 CG PRO A 71 -7.099 0.630 -15.355 1.00 0.00 C ATOM 1058 CD PRO A 71 -7.211 1.286 -14.006 1.00 0.00 C ATOM 1059 OXT PRO A 71 -10.792 -0.186 -14.224 1.00 0.00 O ATOM 0 HA PRO A 71 -9.531 2.258 -15.885 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.809 -0.658 -15.396 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.580 0.277 -16.861 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.493 -0.275 -15.300 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.616 1.293 -16.073 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.106 0.562 -13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.438 2.041 -13.861 1.00 0.00 H new TER 1067 PRO A 71 ATOM 1068 N TYR B 181 -31.116 -6.344 1.394 1.00 0.00 N ATOM 1069 CA TYR B 181 -30.378 -6.026 0.144 1.00 0.00 C ATOM 1070 C TYR B 181 -29.200 -5.095 0.420 1.00 0.00 C ATOM 1071 O TYR B 181 -29.041 -4.066 -0.238 1.00 0.00 O ATOM 1072 CB TYR B 181 -31.350 -5.372 -0.841 1.00 0.00 C ATOM 1073 CG TYR B 181 -32.181 -6.365 -1.624 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -31.617 -7.122 -2.643 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -33.531 -6.543 -1.344 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -32.373 -8.028 -3.361 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -34.293 -7.449 -2.057 1.00 0.00 C ATOM 1078 CZ TYR B 181 -33.711 -8.188 -3.065 1.00 0.00 C ATOM 1079 OH TYR B 181 -34.467 -9.091 -3.777 1.00 0.00 O ATOM 0 HA TYR B 181 -29.975 -6.946 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -32.016 -4.706 -0.293 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -30.785 -4.754 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -30.570 -7.000 -2.878 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -33.991 -5.964 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -31.919 -8.608 -4.150 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -35.340 -7.578 -1.826 1.00 0.00 H new ATOM 0 HH TYR B 181 -35.388 -9.082 -3.443 1.00 0.00 H new ATOM 1091 N ARG B 182 -28.375 -5.463 1.396 1.00 0.00 N ATOM 1092 CA ARG B 182 -27.211 -4.659 1.758 1.00 0.00 C ATOM 1093 C ARG B 182 -25.950 -5.171 1.068 1.00 0.00 C ATOM 1094 O ARG B 182 -24.839 -4.962 1.555 1.00 0.00 O ATOM 1095 CB ARG B 182 -27.009 -4.668 3.274 1.00 0.00 C ATOM 1096 CG ARG B 182 -28.292 -4.463 4.063 1.00 0.00 C ATOM 1097 CD ARG B 182 -28.802 -5.769 4.651 1.00 0.00 C ATOM 1098 NE ARG B 182 -28.671 -5.804 6.105 1.00 0.00 N ATOM 1099 CZ ARG B 182 -28.682 -6.925 6.824 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -28.814 -8.103 6.227 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -28.560 -6.867 8.143 1.00 0.00 N ATOM 0 H ARG B 182 -28.490 -6.312 1.950 1.00 0.00 H new ATOM 0 HA ARG B 182 -27.396 -3.638 1.425 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -26.561 -5.618 3.566 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -26.299 -3.885 3.542 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -28.116 -3.746 4.865 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -29.055 -4.033 3.413 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -29.849 -5.905 4.378 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -28.249 -6.602 4.217 1.00 0.00 H new ATOM 0 HE ARG B 182 -28.565 -4.918 6.599 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -28.908 -8.153 5.213 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -28.822 -8.958 6.783 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -28.458 -5.964 8.607 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -28.568 -7.725 8.694 1.00 0.00 H new ATOM 1115 N GLY B 183 -26.126 -5.840 -0.067 1.00 0.00 N ATOM 1116 CA GLY B 183 -24.988 -6.367 -0.798 1.00 0.00 C ATOM 1117 C GLY B 183 -24.288 -5.304 -1.623 1.00 0.00 C ATOM 1118 O GLY B 183 -24.581 -5.137 -2.807 1.00 0.00 O ATOM 0 H GLY B 183 -27.034 -6.026 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -24.278 -6.803 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -25.322 -7.171 -1.454 1.00 0.00 H new ATOM 1122 N TRP B 184 -23.362 -4.584 -0.998 1.00 0.00 N ATOM 1123 CA TRP B 184 -22.623 -3.532 -1.688 1.00 0.00 C ATOM 1124 C TRP B 184 -21.136 -3.558 -1.304 1.00 0.00 C ATOM 1125 O TRP B 184 -20.418 -4.487 -1.676 1.00 0.00 O ATOM 1126 CB TRP B 184 -23.255 -2.162 -1.401 1.00 0.00 C ATOM 1127 CG TRP B 184 -23.655 -1.965 0.032 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -23.141 -2.602 1.126 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -24.652 -1.064 0.526 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -23.760 -2.153 2.268 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -24.691 -1.208 1.925 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -25.517 -0.148 -0.081 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -25.560 -0.471 2.726 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -26.379 0.583 0.716 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -26.394 0.418 2.106 1.00 0.00 C ATOM 0 H TRP B 184 -23.106 -4.709 -0.019 1.00 0.00 H new ATOM 0 HA TRP B 184 -22.682 -3.714 -2.761 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -22.548 -1.381 -1.681 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -24.134 -2.039 -2.034 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -22.362 -3.349 1.098 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -23.559 -2.471 3.216 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -25.512 -0.014 -1.153 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -25.575 -0.597 3.799 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -27.052 1.293 0.258 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -27.078 1.005 2.701 1.00 0.00 H new ATOM 1146 N LYS B 185 -20.668 -2.547 -0.567 1.00 0.00 N ATOM 1147 CA LYS B 185 -19.268 -2.485 -0.159 1.00 0.00 C ATOM 1148 C LYS B 185 -18.867 -3.734 0.621 1.00 0.00 C ATOM 1149 O LYS B 185 -19.570 -4.156 1.538 1.00 0.00 O ATOM 1150 CB LYS B 185 -19.018 -1.237 0.690 1.00 0.00 C ATOM 1151 CG LYS B 185 -17.560 -1.044 1.073 1.00 0.00 C ATOM 1152 CD LYS B 185 -17.420 -0.189 2.322 1.00 0.00 C ATOM 1153 CE LYS B 185 -17.593 1.288 2.006 1.00 0.00 C ATOM 1154 NZ LYS B 185 -17.156 2.154 3.137 1.00 0.00 N ATOM 0 H LYS B 185 -21.238 -1.765 -0.243 1.00 0.00 H new ATOM 0 HA LYS B 185 -18.657 -2.433 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -19.360 -0.360 0.141 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -19.618 -1.299 1.598 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -17.096 -2.016 1.242 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -17.025 -0.574 0.248 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -18.163 -0.494 3.059 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -16.440 -0.354 2.770 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -17.018 1.538 1.114 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -18.639 1.490 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -17.337 3.151 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -17.686 1.899 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -16.139 2.018 3.306 1.00 0.00 H new ATOM 1168 N HIS B 186 -17.732 -4.318 0.249 1.00 0.00 N ATOM 1169 CA HIS B 186 -17.234 -5.517 0.915 1.00 0.00 C ATOM 1170 C HIS B 186 -15.958 -5.227 1.690 1.00 0.00 C ATOM 1171 O HIS B 186 -15.667 -5.881 2.691 1.00 0.00 O ATOM 1172 CB HIS B 186 -16.992 -6.638 -0.100 1.00 0.00 C ATOM 1173 CG HIS B 186 -16.275 -6.191 -1.337 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -16.693 -5.436 -2.380 1.00 0.00 N flip ATOM 1175 CD2 HIS B 186 -14.968 -6.535 -1.614 1.00 0.00 C flip ATOM 1176 CE1 HIS B 186 -15.641 -5.339 -3.259 1.00 0.00 C flip ATOM 1177 NE2 HIS B 186 -14.613 -6.010 -2.774 1.00 0.00 N flip ATOM 0 H HIS B 186 -17.140 -3.981 -0.510 1.00 0.00 H new ATOM 0 HA HIS B 186 -17.996 -5.843 1.623 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -16.414 -7.429 0.378 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -17.951 -7.071 -0.384 1.00 0.00 H new ATOM 0 HD1 HIS B 186 -17.616 -5.017 -2.492 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -14.334 -7.139 -0.982 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -15.653 -4.801 -4.195 1.00 0.00 H new ATOM 1186 N TRP B 187 -15.198 -4.245 1.226 1.00 0.00 N ATOM 1187 CA TRP B 187 -13.956 -3.880 1.886 1.00 0.00 C ATOM 1188 C TRP B 187 -13.518 -2.474 1.487 1.00 0.00 C ATOM 1189 O TRP B 187 -13.548 -1.561 2.307 1.00 0.00 O ATOM 1190 CB TRP B 187 -12.879 -4.906 1.546 1.00 0.00 C ATOM 1191 CG TRP B 187 -11.781 -4.980 2.563 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -10.813 -4.046 2.796 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -11.540 -6.048 3.487 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -9.985 -4.468 3.809 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -10.411 -5.694 4.249 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -12.171 -7.270 3.745 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -9.900 -6.517 5.250 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -11.662 -8.086 4.738 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -10.536 -7.706 5.480 1.00 0.00 C ATOM 0 H TRP B 187 -15.419 -3.690 0.399 1.00 0.00 H new ATOM 0 HA TRP B 187 -14.115 -3.878 2.964 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -13.342 -5.888 1.450 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -12.448 -4.661 0.575 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -10.712 -3.112 2.263 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -9.184 -3.953 4.174 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -13.040 -7.570 3.179 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -9.033 -6.227 5.824 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -12.140 -9.032 4.945 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -10.162 -8.365 6.249 1.00 0.00 H new ATOM 1210 N VAL B 188 -13.128 -2.319 0.216 1.00 0.00 N ATOM 1211 CA VAL B 188 -12.687 -1.034 -0.350 1.00 0.00 C ATOM 1212 C VAL B 188 -11.167 -0.974 -0.515 1.00 0.00 C ATOM 1213 O VAL B 188 -10.686 -0.760 -1.627 1.00 0.00 O ATOM 1214 CB VAL B 188 -13.166 0.192 0.460 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -12.725 1.484 -0.215 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -14.680 0.166 0.630 1.00 0.00 C ATOM 0 H VAL B 188 -13.109 -3.087 -0.455 1.00 0.00 H new ATOM 0 HA VAL B 188 -13.158 -0.984 -1.332 1.00 0.00 H new ATOM 0 HB VAL B 188 -12.710 0.148 1.449 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -13.071 2.336 0.369 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -11.637 1.507 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -13.150 1.534 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -14.997 1.037 1.203 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -15.157 0.183 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -14.971 -0.741 1.159 1.00 0.00 H new ATOM 1226 N TYR B 189 -10.416 -1.152 0.587 1.00 0.00 N ATOM 1227 CA TYR B 189 -8.948 -1.114 0.563 1.00 0.00 C ATOM 1228 C TYR B 189 -8.380 -1.058 -0.849 1.00 0.00 C ATOM 1229 O TYR B 189 -8.633 -1.945 -1.664 1.00 0.00 O ATOM 1230 CB TYR B 189 -8.373 -2.338 1.270 1.00 0.00 C ATOM 1231 CG TYR B 189 -7.007 -2.738 0.753 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -6.027 -1.782 0.511 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -6.699 -4.066 0.514 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -4.780 -2.139 0.047 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -5.452 -4.435 0.052 1.00 0.00 C ATOM 1236 CZ TYR B 189 -4.494 -3.469 -0.179 1.00 0.00 C ATOM 1237 OH TYR B 189 -3.249 -3.834 -0.639 1.00 0.00 O ATOM 0 H TYR B 189 -10.809 -1.325 1.512 1.00 0.00 H new ATOM 0 HA TYR B 189 -8.659 -0.199 1.080 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -8.305 -2.134 2.338 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -9.060 -3.176 1.149 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -6.247 -0.740 0.690 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -7.446 -4.825 0.692 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -4.032 -1.383 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -5.227 -5.476 -0.128 1.00 0.00 H new ATOM 0 HH TYR B 189 -3.212 -4.808 -0.745 1.00 0.00 H new ATOM 1247 N TYR B 190 -7.578 -0.028 -1.105 1.00 0.00 N ATOM 1248 CA TYR B 190 -6.925 0.166 -2.400 1.00 0.00 C ATOM 1249 C TYR B 190 -6.517 1.630 -2.589 1.00 0.00 C ATOM 1250 O TYR B 190 -5.787 1.965 -3.522 1.00 0.00 O ATOM 1251 CB TYR B 190 -7.834 -0.277 -3.548 1.00 0.00 C ATOM 1252 CG TYR B 190 -7.152 -1.182 -4.549 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -6.201 -0.685 -5.431 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -7.459 -2.536 -4.610 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -5.576 -1.511 -6.347 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -6.838 -3.368 -5.522 1.00 0.00 C ATOM 1257 CZ TYR B 190 -5.898 -2.851 -6.388 1.00 0.00 C ATOM 1258 OH TYR B 190 -5.279 -3.677 -7.297 1.00 0.00 O ATOM 0 H TYR B 190 -7.361 0.697 -0.421 1.00 0.00 H new ATOM 0 HA TYR B 190 -6.028 -0.453 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -8.700 -0.794 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -8.207 0.607 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -5.946 0.364 -5.401 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -8.195 -2.945 -3.934 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -4.839 -1.109 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -7.088 -4.418 -5.556 1.00 0.00 H new ATOM 0 HH TYR B 190 -5.106 -4.548 -6.882 1.00 0.00 H new ATOM 1268 N THR B 191 -6.990 2.496 -1.688 1.00 0.00 N ATOM 1269 CA THR B 191 -6.680 3.924 -1.730 1.00 0.00 C ATOM 1270 C THR B 191 -7.533 4.655 -2.757 1.00 0.00 C ATOM 1271 O THR B 191 -7.194 4.706 -3.939 1.00 0.00 O ATOM 1272 CB THR B 191 -5.195 4.159 -2.023 1.00 0.00 C ATOM 1273 OG1 THR B 191 -4.421 3.030 -1.656 1.00 0.00 O ATOM 1274 CG2 THR B 191 -4.630 5.358 -1.293 1.00 0.00 C ATOM 0 H THR B 191 -7.596 2.226 -0.913 1.00 0.00 H new ATOM 0 HA THR B 191 -6.912 4.328 -0.744 1.00 0.00 H new ATOM 0 HB THR B 191 -5.138 4.340 -3.096 1.00 0.00 H new ATOM 0 HG1 THR B 191 -4.396 2.394 -2.402 1.00 0.00 H new ATOM 0 HG21 THR B 191 -3.575 5.471 -1.542 1.00 0.00 H new ATOM 0 HG22 THR B 191 -5.172 6.255 -1.593 1.00 0.00 H new ATOM 0 HG23 THR B 191 -4.736 5.212 -0.218 1.00 0.00 H new ATOM 1282 N CYS B 192 -8.633 5.238 -2.291 1.00 0.00 N ATOM 1283 CA CYS B 192 -9.524 5.988 -3.165 1.00 0.00 C ATOM 1284 C CYS B 192 -10.424 6.909 -2.394 1.00 0.00 C ATOM 1285 O CYS B 192 -10.422 8.126 -2.582 1.00 0.00 O ATOM 1286 CB CYS B 192 -10.472 5.080 -3.966 1.00 0.00 C ATOM 1287 SG CYS B 192 -12.019 5.940 -4.510 1.00 0.00 S ATOM 0 H CYS B 192 -8.927 5.205 -1.315 1.00 0.00 H new ATOM 0 HA CYS B 192 -8.851 6.536 -3.825 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -9.947 4.701 -4.843 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -10.739 4.217 -3.357 1.00 0.00 H new ATOM 1292 N CYS B 193 -11.303 6.283 -1.638 1.00 0.00 N ATOM 1293 CA CYS B 193 -12.338 7.005 -0.967 1.00 0.00 C ATOM 1294 C CYS B 193 -12.628 6.473 0.460 1.00 0.00 C ATOM 1295 O CYS B 193 -12.070 7.009 1.418 1.00 0.00 O ATOM 1296 CB CYS B 193 -13.537 6.947 -1.924 1.00 0.00 C ATOM 1297 SG CYS B 193 -13.470 5.524 -3.116 1.00 0.00 S ATOM 0 H CYS B 193 -11.312 5.275 -1.480 1.00 0.00 H new ATOM 0 HA CYS B 193 -12.054 8.038 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -14.454 6.877 -1.340 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -13.587 7.879 -2.487 1.00 0.00 H new ATOM 1302 N PRO B 194 -13.486 5.434 0.669 1.00 0.00 N ATOM 1303 CA PRO B 194 -13.765 4.934 2.026 1.00 0.00 C ATOM 1304 C PRO B 194 -12.503 4.551 2.790 1.00 0.00 C ATOM 1305 O PRO B 194 -11.541 4.050 2.211 1.00 0.00 O ATOM 1306 CB PRO B 194 -14.624 3.690 1.801 1.00 0.00 C ATOM 1307 CG PRO B 194 -15.227 3.870 0.457 1.00 0.00 C ATOM 1308 CD PRO B 194 -14.246 4.676 -0.347 1.00 0.00 C ATOM 0 HA PRO B 194 -14.248 5.704 2.628 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -14.021 2.783 1.844 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -15.393 3.599 2.568 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -15.416 2.906 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -16.186 4.384 0.528 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -13.592 4.035 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -14.754 5.342 -1.044 1.00 0.00 H new ATOM 1316 N ASP B 195 -12.522 4.780 4.100 1.00 0.00 N ATOM 1317 CA ASP B 195 -11.388 4.449 4.956 1.00 0.00 C ATOM 1318 C ASP B 195 -11.517 3.031 5.506 1.00 0.00 C ATOM 1319 O ASP B 195 -12.403 2.751 6.313 1.00 0.00 O ATOM 1320 CB ASP B 195 -11.286 5.450 6.107 1.00 0.00 C ATOM 1321 CG ASP B 195 -10.779 6.803 5.649 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -10.140 6.865 4.578 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -11.021 7.801 6.361 1.00 0.00 O ATOM 0 H ASP B 195 -13.313 5.195 4.593 1.00 0.00 H new ATOM 0 HA ASP B 195 -10.480 4.503 4.355 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -12.266 5.569 6.570 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -10.618 5.054 6.872 1.00 0.00 H new ATOM 1328 N THR B 196 -10.635 2.133 5.063 1.00 0.00 N ATOM 1329 CA THR B 196 -10.665 0.744 5.515 1.00 0.00 C ATOM 1330 C THR B 196 -9.789 0.428 6.747 1.00 0.00 C ATOM 1331 O THR B 196 -9.523 -0.746 7.003 1.00 0.00 O ATOM 1332 CB THR B 196 -10.310 -0.190 4.363 1.00 0.00 C ATOM 1333 OG1 THR B 196 -9.315 0.368 3.524 1.00 0.00 O ATOM 1334 CG2 THR B 196 -11.502 -0.498 3.503 1.00 0.00 C ATOM 0 H THR B 196 -9.894 2.343 4.394 1.00 0.00 H new ATOM 0 HA THR B 196 -11.689 0.577 5.848 1.00 0.00 H new ATOM 0 HB THR B 196 -9.941 -1.103 4.830 1.00 0.00 H new ATOM 0 HG1 THR B 196 -9.736 0.749 2.726 1.00 0.00 H new ATOM 0 HG21 THR B 196 -11.205 -1.166 2.695 1.00 0.00 H new ATOM 0 HG22 THR B 196 -12.272 -0.979 4.107 1.00 0.00 H new ATOM 0 HG23 THR B 196 -11.896 0.427 3.082 1.00 0.00 H new ATOM 1342 N PRO B 197 -9.327 1.420 7.550 1.00 0.00 N ATOM 1343 CA PRO B 197 -8.502 1.128 8.723 1.00 0.00 C ATOM 1344 C PRO B 197 -9.328 0.794 9.966 1.00 0.00 C ATOM 1345 O PRO B 197 -8.809 0.799 11.082 1.00 0.00 O ATOM 1346 CB PRO B 197 -7.735 2.429 8.926 1.00 0.00 C ATOM 1347 CG PRO B 197 -8.677 3.490 8.473 1.00 0.00 C ATOM 1348 CD PRO B 197 -9.552 2.872 7.407 1.00 0.00 C ATOM 0 HA PRO B 197 -7.872 0.252 8.571 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -7.455 2.566 9.970 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -6.813 2.442 8.344 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -9.280 3.853 9.306 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -8.132 4.347 8.077 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -10.601 3.129 7.555 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -9.275 3.222 6.412 1.00 0.00 H new ATOM 1356 N TYR B 198 -10.611 0.499 9.770 1.00 0.00 N ATOM 1357 CA TYR B 198 -11.492 0.159 10.882 1.00 0.00 C ATOM 1358 C TYR B 198 -11.882 -1.316 10.834 1.00 0.00 C ATOM 1359 O TYR B 198 -12.156 -1.818 9.723 1.00 0.00 O ATOM 1360 CB TYR B 198 -12.748 1.035 10.858 1.00 0.00 C ATOM 1361 CG TYR B 198 -13.688 0.724 9.714 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -14.685 -0.234 9.849 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -13.577 1.388 8.499 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -15.545 -0.522 8.807 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -14.434 1.106 7.451 1.00 0.00 C ATOM 1366 CZ TYR B 198 -15.416 0.151 7.611 1.00 0.00 C ATOM 1367 OH TYR B 198 -16.270 -0.133 6.570 1.00 0.00 O ATOM 0 H TYR B 198 -11.061 0.489 8.855 1.00 0.00 H new ATOM 0 HA TYR B 198 -10.951 0.344 11.810 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -13.283 0.912 11.799 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -12.449 2.081 10.796 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -14.790 -0.763 10.785 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -12.809 2.137 8.371 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -16.314 -1.270 8.929 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -14.335 1.631 6.512 1.00 0.00 H new ATOM 0 HH TYR B 198 -16.045 0.430 5.800 1.00 0.00 H new TER 1377 TYR B 198