USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 GLN : amide:sc= -12.3! C(o=-26!,f=-28!) USER MOD Set 1.2: A 87 MET CE :methyl -155:sc= -14! (180deg=-15.2!) USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.48! X(o=-1.3!,f=-0.88) USER MOD Set 2.2: A 72 SER OG : rot 120:sc= 1.13 USER MOD Single : A 7 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -100:sc= -1.18! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 18 GLN : amide:sc=-0.00935 X(o=-0.0093,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.18 F(o=-2.2!,f=-0.18) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 90:sc= 0.912 USER MOD Single : A 55 SER OG : rot 161:sc= -1.48! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0666 K(o=-0.067,f=-0.75) USER MOD Single : A 65 THR OG1 : rot -124:sc= -2.25! USER MOD Single : A 68 SER OG : rot -76:sc= -3.55! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.461 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.0429 (180deg=-0.304) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0542 USER MOD Single : A 88 GLN : amide:sc= -0.7 K(o=-0.7,f=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 109:sc= -0.114! USER MOD Single : A 96 TYR OH : rot 35:sc= -0.225 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -150:sc= -0.779 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.298 USER MOD Single : A 114 HIS : no HE2:sc= -14.8! C(o=-15!,f=-15!) USER MOD Single : A 117 LYS NZ :NH3+ -174:sc= 0.0425 (180deg=0.0357) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.261 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.007 5.510 3.279 1.00 0.00 N ATOM 93 CA GLN A 7 17.057 5.976 2.224 1.00 0.00 C ATOM 94 C GLN A 7 16.280 4.781 1.667 1.00 0.00 C ATOM 95 O GLN A 7 16.825 3.711 1.480 1.00 0.00 O ATOM 96 CB GLN A 7 17.931 6.605 1.140 1.00 0.00 C ATOM 97 CG GLN A 7 17.069 7.518 0.265 1.00 0.00 C ATOM 98 CD GLN A 7 17.694 7.632 -1.126 1.00 0.00 C ATOM 99 OE1 GLN A 7 18.812 8.087 -1.267 1.00 0.00 O ATOM 100 NE2 GLN A 7 17.014 7.237 -2.167 1.00 0.00 N ATOM 0 HA GLN A 7 16.326 6.687 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.741 7.176 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.392 5.827 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.058 7.118 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.988 8.505 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.076 6.855 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.421 7.310 -3.100 1.00 0.00 H new ATOM 109 N VAL A 8 15.007 4.940 1.421 1.00 0.00 N ATOM 110 CA VAL A 8 14.212 3.784 0.902 1.00 0.00 C ATOM 111 C VAL A 8 13.177 4.222 -0.146 1.00 0.00 C ATOM 112 O VAL A 8 12.204 4.877 0.168 1.00 0.00 O ATOM 113 CB VAL A 8 13.508 3.218 2.142 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.965 4.367 2.993 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.345 2.316 1.720 1.00 0.00 C ATOM 0 H VAL A 8 14.487 5.807 1.554 1.00 0.00 H new ATOM 0 HA VAL A 8 14.848 3.055 0.401 1.00 0.00 H new ATOM 0 HB VAL A 8 14.226 2.636 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.465 3.963 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.789 5.009 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.254 4.949 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.852 1.919 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.630 2.894 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.724 1.491 1.117 1.00 0.00 H new ATOM 125 N LYS A 9 13.361 3.827 -1.383 1.00 0.00 N ATOM 126 CA LYS A 9 12.363 4.182 -2.439 1.00 0.00 C ATOM 127 C LYS A 9 11.228 3.153 -2.403 1.00 0.00 C ATOM 128 O LYS A 9 11.333 2.144 -1.735 1.00 0.00 O ATOM 129 CB LYS A 9 13.107 4.083 -3.771 1.00 0.00 C ATOM 130 CG LYS A 9 14.040 5.280 -3.956 1.00 0.00 C ATOM 131 CD LYS A 9 14.028 5.700 -5.431 1.00 0.00 C ATOM 132 CE LYS A 9 14.761 7.031 -5.598 1.00 0.00 C ATOM 133 NZ LYS A 9 15.681 6.817 -6.750 1.00 0.00 N ATOM 0 H LYS A 9 14.157 3.276 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 9 11.941 5.176 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.682 3.158 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.391 4.043 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.718 6.109 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.052 5.019 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.505 4.933 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.001 5.794 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.063 7.845 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.312 7.295 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.222 7.687 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.337 6.041 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.127 6.573 -7.596 1.00 0.00 H new ATOM 147 N ALA A 10 10.148 3.373 -3.111 1.00 0.00 N ATOM 148 CA ALA A 10 9.049 2.355 -3.078 1.00 0.00 C ATOM 149 C ALA A 10 7.774 2.847 -3.772 1.00 0.00 C ATOM 150 O ALA A 10 7.540 4.029 -3.921 1.00 0.00 O ATOM 151 CB ALA A 10 8.762 2.127 -1.593 1.00 0.00 C ATOM 0 H ALA A 10 9.980 4.191 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 10 9.353 1.451 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.965 1.391 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.663 1.761 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.453 3.066 -1.134 1.00 0.00 H new ATOM 157 N SER A 11 6.933 1.922 -4.157 1.00 0.00 N ATOM 158 CA SER A 11 5.637 2.278 -4.803 1.00 0.00 C ATOM 159 C SER A 11 4.515 1.784 -3.892 1.00 0.00 C ATOM 160 O SER A 11 4.782 1.163 -2.882 1.00 0.00 O ATOM 161 CB SER A 11 5.630 1.529 -6.135 1.00 0.00 C ATOM 162 OG SER A 11 4.391 1.755 -6.794 1.00 0.00 O ATOM 0 H SER A 11 7.093 0.921 -4.049 1.00 0.00 H new ATOM 0 HA SER A 11 5.505 3.348 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.455 1.869 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.776 0.462 -5.966 1.00 0.00 H new ATOM 0 HG SER A 11 3.800 0.987 -6.651 1.00 0.00 H new ATOM 168 N HIS A 12 3.267 2.034 -4.197 1.00 0.00 N ATOM 169 CA HIS A 12 2.220 1.531 -3.254 1.00 0.00 C ATOM 170 C HIS A 12 0.817 1.476 -3.877 1.00 0.00 C ATOM 171 O HIS A 12 0.550 2.044 -4.918 1.00 0.00 O ATOM 172 CB HIS A 12 2.264 2.509 -2.069 1.00 0.00 C ATOM 173 CG HIS A 12 1.294 3.642 -2.279 1.00 0.00 C ATOM 174 ND1 HIS A 12 0.566 4.194 -1.237 1.00 0.00 N ATOM 175 CD2 HIS A 12 0.915 4.329 -3.406 1.00 0.00 C ATOM 176 CE1 HIS A 12 -0.206 5.167 -1.751 1.00 0.00 C ATOM 177 NE2 HIS A 12 -0.033 5.292 -3.070 1.00 0.00 N ATOM 0 H HIS A 12 2.936 2.540 -5.018 1.00 0.00 H new ATOM 0 HA HIS A 12 2.423 0.501 -2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.021 1.982 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.273 2.904 -1.954 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.608 3.913 -0.257 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.294 4.150 -4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.884 5.774 -1.169 1.00 0.00 H new ATOM 185 N ILE A 13 -0.079 0.791 -3.207 1.00 0.00 N ATOM 186 CA ILE A 13 -1.487 0.672 -3.689 1.00 0.00 C ATOM 187 C ILE A 13 -2.403 0.326 -2.499 1.00 0.00 C ATOM 188 O ILE A 13 -2.232 -0.687 -1.850 1.00 0.00 O ATOM 189 CB ILE A 13 -1.459 -0.460 -4.735 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.491 0.164 -6.136 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.670 -1.391 -4.559 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.978 -0.864 -7.167 1.00 0.00 C ATOM 0 H ILE A 13 0.112 0.302 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.872 1.594 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.551 -1.048 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.150 1.033 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.496 0.517 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.632 -2.183 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.648 -1.832 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.590 -0.819 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.995 -0.407 -8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.303 -1.720 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.982 -1.196 -6.903 1.00 0.00 H new ATOM 204 N LEU A 14 -3.369 1.159 -2.211 1.00 0.00 N ATOM 205 CA LEU A 14 -4.287 0.873 -1.065 1.00 0.00 C ATOM 206 C LEU A 14 -5.481 0.034 -1.530 1.00 0.00 C ATOM 207 O LEU A 14 -5.918 0.129 -2.658 1.00 0.00 O ATOM 208 CB LEU A 14 -4.764 2.246 -0.583 1.00 0.00 C ATOM 209 CG LEU A 14 -5.889 2.074 0.444 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.279 1.951 1.841 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.825 3.290 0.392 1.00 0.00 C ATOM 0 H LEU A 14 -3.563 2.023 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.788 0.309 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.934 2.794 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.118 2.836 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.460 1.174 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.075 1.828 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.618 1.085 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.709 2.852 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.624 3.166 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.261 4.194 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.256 3.375 -0.606 1.00 0.00 H new ATOM 223 N ILE A 15 -6.022 -0.774 -0.662 1.00 0.00 N ATOM 224 CA ILE A 15 -7.196 -1.604 -1.048 1.00 0.00 C ATOM 225 C ILE A 15 -8.457 -1.079 -0.344 1.00 0.00 C ATOM 226 O ILE A 15 -8.967 -0.028 -0.677 1.00 0.00 O ATOM 227 CB ILE A 15 -6.848 -3.020 -0.586 1.00 0.00 C ATOM 228 CG1 ILE A 15 -5.506 -3.438 -1.191 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.939 -3.987 -1.048 1.00 0.00 C ATOM 230 CD1 ILE A 15 -5.295 -4.939 -0.980 1.00 0.00 C ATOM 0 H ILE A 15 -5.702 -0.895 0.299 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.401 -1.576 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.778 -3.042 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.486 -3.203 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.695 -2.877 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.693 -4.997 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.895 -3.689 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.007 -3.966 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.339 -5.236 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.296 -5.160 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.099 -5.491 -1.466 1.00 0.00 H new ATOM 242 N LYS A 16 -8.963 -1.792 0.629 1.00 0.00 N ATOM 243 CA LYS A 16 -10.182 -1.322 1.349 1.00 0.00 C ATOM 244 C LYS A 16 -10.536 -2.313 2.459 1.00 0.00 C ATOM 245 O LYS A 16 -10.479 -3.510 2.271 1.00 0.00 O ATOM 246 CB LYS A 16 -11.291 -1.277 0.293 1.00 0.00 C ATOM 247 CG LYS A 16 -11.190 -2.499 -0.623 1.00 0.00 C ATOM 248 CD LYS A 16 -12.371 -2.505 -1.597 1.00 0.00 C ATOM 249 CE LYS A 16 -12.051 -3.415 -2.786 1.00 0.00 C ATOM 250 NZ LYS A 16 -13.334 -4.106 -3.098 1.00 0.00 N ATOM 0 H LYS A 16 -8.583 -2.681 0.956 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.038 -0.347 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.267 -1.256 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.208 -0.363 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.250 -2.477 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.190 -3.413 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.271 -2.854 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.573 -1.492 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.695 -2.838 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.268 -4.131 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.195 -4.749 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.645 -4.652 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.059 -3.400 -3.339 1.00 0.00 H new ATOM 264 N HIS A 17 -10.894 -1.828 3.616 1.00 0.00 N ATOM 265 CA HIS A 17 -11.243 -2.756 4.732 1.00 0.00 C ATOM 266 C HIS A 17 -11.837 -1.985 5.913 1.00 0.00 C ATOM 267 O HIS A 17 -12.382 -0.911 5.759 1.00 0.00 O ATOM 268 CB HIS A 17 -9.920 -3.409 5.139 1.00 0.00 C ATOM 269 CG HIS A 17 -9.059 -2.408 5.862 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.301 -1.045 5.810 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.946 -2.560 6.649 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.351 -0.437 6.544 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.501 -1.315 7.079 1.00 0.00 N ATOM 0 H HIS A 17 -10.960 -0.835 3.838 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.989 -3.490 4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.111 -4.269 5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.400 -3.779 4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.485 -3.504 6.897 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.285 0.632 6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.698 -1.116 7.675 1.00 0.00 H new ATOM 281 N GLN A 18 -11.731 -2.533 7.092 1.00 0.00 N ATOM 282 CA GLN A 18 -12.283 -1.845 8.294 1.00 0.00 C ATOM 283 C GLN A 18 -11.294 -0.792 8.796 1.00 0.00 C ATOM 284 O GLN A 18 -10.728 -0.919 9.864 1.00 0.00 O ATOM 285 CB GLN A 18 -12.456 -2.951 9.334 1.00 0.00 C ATOM 286 CG GLN A 18 -13.938 -3.299 9.472 1.00 0.00 C ATOM 287 CD GLN A 18 -14.576 -2.399 10.532 1.00 0.00 C ATOM 288 OE1 GLN A 18 -14.641 -2.760 11.691 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.049 -1.235 10.183 1.00 0.00 N ATOM 0 H GLN A 18 -11.284 -3.431 7.276 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.220 -1.330 8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.891 -3.835 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.058 -2.626 10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.444 -3.168 8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.052 -4.346 9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.994 -0.933 9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.474 -0.627 10.883 1.00 0.00 H new ATOM 298 N GLY A 19 -11.078 0.245 8.036 1.00 0.00 N ATOM 299 CA GLY A 19 -10.122 1.299 8.474 1.00 0.00 C ATOM 300 C GLY A 19 -10.896 2.498 9.025 1.00 0.00 C ATOM 301 O GLY A 19 -10.518 3.636 8.832 1.00 0.00 O ATOM 0 H GLY A 19 -11.521 0.408 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.453 0.903 9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.499 1.610 7.636 1.00 0.00 H new ATOM 594 N THR A 37 -14.645 -5.756 2.367 1.00 0.00 N ATOM 595 CA THR A 37 -13.417 -6.318 2.996 1.00 0.00 C ATOM 596 C THR A 37 -13.296 -5.834 4.444 1.00 0.00 C ATOM 597 O THR A 37 -13.714 -4.744 4.783 1.00 0.00 O ATOM 598 CB THR A 37 -12.256 -5.789 2.150 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.180 -6.532 0.941 1.00 0.00 O ATOM 600 CG2 THR A 37 -10.945 -5.937 2.924 1.00 0.00 C ATOM 0 HA THR A 37 -13.431 -7.407 3.027 1.00 0.00 H new ATOM 0 HB THR A 37 -12.422 -4.736 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.439 -6.195 0.396 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.121 -5.560 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.004 -5.368 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.775 -6.989 3.153 1.00 0.00 H new ATOM 608 N THR A 38 -12.726 -6.638 5.299 1.00 0.00 N ATOM 609 CA THR A 38 -12.576 -6.230 6.724 1.00 0.00 C ATOM 610 C THR A 38 -11.129 -6.432 7.179 1.00 0.00 C ATOM 611 O THR A 38 -10.274 -6.811 6.404 1.00 0.00 O ATOM 612 CB THR A 38 -13.519 -7.149 7.504 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.819 -8.295 6.719 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.811 -6.400 7.829 1.00 0.00 C ATOM 0 H THR A 38 -12.357 -7.561 5.072 1.00 0.00 H new ATOM 0 HA THR A 38 -12.815 -5.178 6.880 1.00 0.00 H new ATOM 0 HB THR A 38 -13.038 -7.459 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.421 -8.885 7.218 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.482 -7.056 8.384 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.581 -5.522 8.432 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.293 -6.088 6.903 1.00 0.00 H new ATOM 622 N ARG A 39 -10.846 -6.185 8.429 1.00 0.00 N ATOM 623 CA ARG A 39 -9.451 -6.368 8.921 1.00 0.00 C ATOM 624 C ARG A 39 -8.894 -7.701 8.424 1.00 0.00 C ATOM 625 O ARG A 39 -7.903 -7.751 7.721 1.00 0.00 O ATOM 626 CB ARG A 39 -9.560 -6.359 10.446 1.00 0.00 C ATOM 627 CG ARG A 39 -8.707 -5.220 11.008 1.00 0.00 C ATOM 628 CD ARG A 39 -8.393 -5.493 12.480 1.00 0.00 C ATOM 629 NE ARG A 39 -8.120 -4.152 13.066 1.00 0.00 N ATOM 630 CZ ARG A 39 -9.028 -3.561 13.793 1.00 0.00 C ATOM 631 NH1 ARG A 39 -9.457 -4.127 14.888 1.00 0.00 N ATOM 632 NH2 ARG A 39 -9.508 -2.403 13.427 1.00 0.00 N ATOM 0 H ARG A 39 -11.517 -5.866 9.128 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.778 -5.589 8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.600 -6.232 10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.225 -7.314 10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.782 -5.130 10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.236 -4.272 10.908 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.231 -5.980 12.979 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.532 -6.153 12.585 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.223 -3.695 12.899 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.082 -5.031 15.175 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.167 -3.665 15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.173 -1.959 12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.218 -1.942 13.996 1.00 0.00 H new ATOM 646 N GLU A 40 -9.530 -8.780 8.776 1.00 0.00 N ATOM 647 CA GLU A 40 -9.045 -10.112 8.318 1.00 0.00 C ATOM 648 C GLU A 40 -9.144 -10.204 6.793 1.00 0.00 C ATOM 649 O GLU A 40 -8.152 -10.323 6.103 1.00 0.00 O ATOM 650 CB GLU A 40 -9.981 -11.123 8.979 1.00 0.00 C ATOM 651 CG GLU A 40 -9.462 -12.540 8.729 1.00 0.00 C ATOM 652 CD GLU A 40 -9.641 -13.383 9.993 1.00 0.00 C ATOM 653 OE1 GLU A 40 -9.513 -12.831 11.073 1.00 0.00 O ATOM 654 OE2 GLU A 40 -9.904 -14.567 9.859 1.00 0.00 O ATOM 0 H GLU A 40 -10.365 -8.799 9.361 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.003 -10.291 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.043 -10.931 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.989 -11.018 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.001 -12.994 7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.410 -12.508 8.447 1.00 0.00 H new ATOM 661 N ALA A 41 -10.336 -10.145 6.264 1.00 0.00 N ATOM 662 CA ALA A 41 -10.501 -10.224 4.784 1.00 0.00 C ATOM 663 C ALA A 41 -9.477 -9.323 4.093 1.00 0.00 C ATOM 664 O ALA A 41 -8.887 -9.685 3.095 1.00 0.00 O ATOM 665 CB ALA A 41 -11.921 -9.726 4.517 1.00 0.00 C ATOM 0 H ALA A 41 -11.203 -10.046 6.792 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.346 -11.233 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.121 -9.754 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.635 -10.366 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.022 -8.703 4.879 1.00 0.00 H new ATOM 671 N ALA A 42 -9.263 -8.152 4.621 1.00 0.00 N ATOM 672 CA ALA A 42 -8.276 -7.224 4.000 1.00 0.00 C ATOM 673 C ALA A 42 -6.980 -7.973 3.699 1.00 0.00 C ATOM 674 O ALA A 42 -6.587 -8.120 2.558 1.00 0.00 O ATOM 675 CB ALA A 42 -8.041 -6.133 5.044 1.00 0.00 C ATOM 0 H ALA A 42 -9.728 -7.796 5.456 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.631 -6.807 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.323 -5.409 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.983 -5.629 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.650 -6.581 5.957 1.00 0.00 H new ATOM 681 N VAL A 43 -6.317 -8.455 4.711 1.00 0.00 N ATOM 682 CA VAL A 43 -5.051 -9.203 4.473 1.00 0.00 C ATOM 683 C VAL A 43 -5.271 -10.241 3.375 1.00 0.00 C ATOM 684 O VAL A 43 -4.472 -10.386 2.474 1.00 0.00 O ATOM 685 CB VAL A 43 -4.724 -9.886 5.801 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.532 -10.825 5.607 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.373 -8.826 6.847 1.00 0.00 C ATOM 0 H VAL A 43 -6.594 -8.365 5.688 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.238 -8.552 4.151 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.588 -10.458 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.296 -11.314 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.781 -11.579 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.668 -10.252 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.140 -9.313 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.508 -8.255 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.221 -8.155 6.983 1.00 0.00 H new ATOM 697 N GLU A 44 -6.360 -10.956 3.440 1.00 0.00 N ATOM 698 CA GLU A 44 -6.640 -11.976 2.392 1.00 0.00 C ATOM 699 C GLU A 44 -6.641 -11.306 1.020 1.00 0.00 C ATOM 700 O GLU A 44 -6.102 -11.823 0.061 1.00 0.00 O ATOM 701 CB GLU A 44 -8.026 -12.529 2.727 1.00 0.00 C ATOM 702 CG GLU A 44 -7.955 -14.054 2.852 1.00 0.00 C ATOM 703 CD GLU A 44 -7.096 -14.431 4.061 1.00 0.00 C ATOM 704 OE1 GLU A 44 -6.821 -13.556 4.864 1.00 0.00 O ATOM 705 OE2 GLU A 44 -6.730 -15.591 4.163 1.00 0.00 O ATOM 0 H GLU A 44 -7.066 -10.878 4.172 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.892 -12.769 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.386 -12.094 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.737 -12.251 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.958 -14.467 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.532 -14.484 1.944 1.00 0.00 H new ATOM 712 N GLN A 45 -7.233 -10.148 0.924 1.00 0.00 N ATOM 713 CA GLN A 45 -7.260 -9.430 -0.381 1.00 0.00 C ATOM 714 C GLN A 45 -5.859 -8.917 -0.708 1.00 0.00 C ATOM 715 O GLN A 45 -5.326 -9.164 -1.771 1.00 0.00 O ATOM 716 CB GLN A 45 -8.225 -8.262 -0.179 1.00 0.00 C ATOM 717 CG GLN A 45 -9.176 -8.174 -1.374 1.00 0.00 C ATOM 718 CD GLN A 45 -8.365 -8.044 -2.663 1.00 0.00 C ATOM 719 OE1 GLN A 45 -7.577 -7.017 -2.824 1.00 0.00 O flip ATOM 720 NE2 GLN A 45 -8.448 -8.888 -3.534 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.700 -9.668 1.693 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.575 -10.071 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.792 -8.400 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.669 -7.331 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.807 -9.062 -1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.840 -7.317 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.064 -9.691 -3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.902 -8.793 -4.390 1.00 0.00 H new ATOM 729 N LEU A 46 -5.255 -8.214 0.208 1.00 0.00 N ATOM 730 CA LEU A 46 -3.882 -7.693 -0.036 1.00 0.00 C ATOM 731 C LEU A 46 -2.905 -8.864 -0.148 1.00 0.00 C ATOM 732 O LEU A 46 -1.807 -8.728 -0.651 1.00 0.00 O ATOM 733 CB LEU A 46 -3.556 -6.831 1.184 1.00 0.00 C ATOM 734 CG LEU A 46 -2.523 -5.774 0.796 1.00 0.00 C ATOM 735 CD1 LEU A 46 -2.817 -4.472 1.542 1.00 0.00 C ATOM 736 CD2 LEU A 46 -1.129 -6.270 1.174 1.00 0.00 C ATOM 0 H LEU A 46 -5.654 -7.977 1.117 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.809 -7.119 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.461 -6.351 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.170 -7.454 1.991 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.571 -5.595 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.079 -3.719 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.814 -4.118 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.768 -4.649 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.389 -5.519 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.085 -6.447 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.917 -7.199 0.645 1.00 0.00 H new ATOM 748 N LYS A 47 -3.303 -10.021 0.309 1.00 0.00 N ATOM 749 CA LYS A 47 -2.405 -11.204 0.217 1.00 0.00 C ATOM 750 C LYS A 47 -2.419 -11.738 -1.215 1.00 0.00 C ATOM 751 O LYS A 47 -1.399 -12.098 -1.768 1.00 0.00 O ATOM 752 CB LYS A 47 -2.992 -12.231 1.188 1.00 0.00 C ATOM 753 CG LYS A 47 -2.155 -13.511 1.146 1.00 0.00 C ATOM 754 CD LYS A 47 -2.644 -14.475 2.230 1.00 0.00 C ATOM 755 CE LYS A 47 -2.127 -14.015 3.595 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.105 -15.029 3.979 1.00 0.00 N ATOM 0 H LYS A 47 -4.210 -10.196 0.741 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.370 -10.970 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.004 -11.825 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.025 -12.451 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.235 -13.979 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.102 -13.275 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.733 -14.510 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.293 -15.485 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.692 -13.017 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.933 -13.969 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.703 -14.783 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.550 -15.967 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.347 -15.045 3.267 1.00 0.00 H new ATOM 770 N SER A 48 -3.571 -11.773 -1.823 1.00 0.00 N ATOM 771 CA SER A 48 -3.664 -12.262 -3.226 1.00 0.00 C ATOM 772 C SER A 48 -3.224 -11.154 -4.184 1.00 0.00 C ATOM 773 O SER A 48 -2.741 -11.414 -5.267 1.00 0.00 O ATOM 774 CB SER A 48 -5.140 -12.600 -3.430 1.00 0.00 C ATOM 775 OG SER A 48 -5.666 -13.149 -2.229 1.00 0.00 O ATOM 0 H SER A 48 -4.456 -11.483 -1.407 1.00 0.00 H new ATOM 0 HA SER A 48 -3.025 -13.125 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.695 -11.704 -3.708 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.252 -13.311 -4.248 1.00 0.00 H new ATOM 0 HG SER A 48 -6.018 -12.428 -1.666 1.00 0.00 H new ATOM 781 N ILE A 49 -3.375 -9.916 -3.790 1.00 0.00 N ATOM 782 CA ILE A 49 -2.947 -8.803 -4.683 1.00 0.00 C ATOM 783 C ILE A 49 -1.426 -8.858 -4.853 1.00 0.00 C ATOM 784 O ILE A 49 -0.920 -8.902 -5.956 1.00 0.00 O ATOM 785 CB ILE A 49 -3.426 -7.510 -3.995 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.887 -6.515 -5.064 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.308 -6.870 -3.164 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.798 -6.366 -6.128 1.00 0.00 C ATOM 0 H ILE A 49 -3.773 -9.631 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.371 -8.863 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.248 -7.764 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.813 -6.861 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.099 -5.548 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.680 -5.960 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.981 -7.569 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.467 -6.625 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.127 -5.658 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.883 -6.000 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.608 -7.334 -6.592 1.00 0.00 H new ATOM 800 N ARG A 50 -0.695 -8.898 -3.773 1.00 0.00 N ATOM 801 CA ARG A 50 0.785 -9.000 -3.901 1.00 0.00 C ATOM 802 C ARG A 50 1.095 -10.326 -4.593 1.00 0.00 C ATOM 803 O ARG A 50 1.993 -10.434 -5.403 1.00 0.00 O ATOM 804 CB ARG A 50 1.334 -8.964 -2.466 1.00 0.00 C ATOM 805 CG ARG A 50 1.198 -10.341 -1.805 1.00 0.00 C ATOM 806 CD ARG A 50 1.991 -10.355 -0.494 1.00 0.00 C ATOM 807 NE ARG A 50 1.339 -11.399 0.344 1.00 0.00 N ATOM 808 CZ ARG A 50 2.007 -12.464 0.698 1.00 0.00 C ATOM 809 NH1 ARG A 50 2.605 -13.190 -0.206 1.00 0.00 N ATOM 810 NH2 ARG A 50 2.077 -12.803 1.956 1.00 0.00 N ATOM 0 H ARG A 50 -1.053 -8.865 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 50 1.233 -8.198 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.381 -8.662 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.794 -8.219 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.148 -10.562 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.568 -11.117 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.040 -10.590 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.961 -9.381 -0.005 1.00 0.00 H new ATOM 0 HE ARG A 50 0.370 -11.282 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.551 -12.926 -1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.127 -14.022 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.610 -12.236 2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.599 -13.635 2.232 1.00 0.00 H new ATOM 824 N GLU A 51 0.309 -11.326 -4.296 1.00 0.00 N ATOM 825 CA GLU A 51 0.488 -12.653 -4.944 1.00 0.00 C ATOM 826 C GLU A 51 0.259 -12.484 -6.440 1.00 0.00 C ATOM 827 O GLU A 51 1.047 -12.899 -7.265 1.00 0.00 O ATOM 828 CB GLU A 51 -0.610 -13.518 -4.323 1.00 0.00 C ATOM 829 CG GLU A 51 -0.607 -14.924 -4.932 1.00 0.00 C ATOM 830 CD GLU A 51 0.829 -15.380 -5.214 1.00 0.00 C ATOM 831 OE1 GLU A 51 1.648 -15.282 -4.315 1.00 0.00 O ATOM 832 OE2 GLU A 51 1.083 -15.820 -6.323 1.00 0.00 O ATOM 0 H GLU A 51 -0.457 -11.277 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 51 1.476 -13.090 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.461 -13.584 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.581 -13.050 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.090 -15.624 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.185 -14.928 -5.856 1.00 0.00 H new ATOM 839 N ASP A 52 -0.815 -11.841 -6.784 1.00 0.00 N ATOM 840 CA ASP A 52 -1.103 -11.592 -8.221 1.00 0.00 C ATOM 841 C ASP A 52 0.037 -10.753 -8.796 1.00 0.00 C ATOM 842 O ASP A 52 0.612 -11.079 -9.815 1.00 0.00 O ATOM 843 CB ASP A 52 -2.418 -10.812 -8.238 1.00 0.00 C ATOM 844 CG ASP A 52 -3.512 -11.668 -8.879 1.00 0.00 C ATOM 845 OD1 ASP A 52 -3.365 -12.879 -8.879 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.479 -11.097 -9.357 1.00 0.00 O ATOM 0 H ASP A 52 -1.509 -11.475 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.185 -12.504 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.704 -10.539 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.295 -9.883 -8.795 1.00 0.00 H new ATOM 851 N ILE A 53 0.392 -9.691 -8.122 1.00 0.00 N ATOM 852 CA ILE A 53 1.524 -8.853 -8.603 1.00 0.00 C ATOM 853 C ILE A 53 2.794 -9.699 -8.564 1.00 0.00 C ATOM 854 O ILE A 53 3.757 -9.443 -9.259 1.00 0.00 O ATOM 855 CB ILE A 53 1.614 -7.692 -7.612 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.356 -6.828 -7.722 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.845 -6.842 -7.929 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.495 -5.606 -6.811 1.00 0.00 C ATOM 0 H ILE A 53 -0.053 -9.370 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 53 1.391 -8.487 -9.621 1.00 0.00 H new ATOM 0 HB ILE A 53 1.697 -8.087 -6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.209 -6.510 -8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.522 -7.408 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.908 -6.015 -7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.742 -7.456 -7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.764 -6.448 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.401 -4.990 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.621 -5.934 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.364 -5.022 -7.115 1.00 0.00 H new ATOM 870 N VAL A 54 2.784 -10.723 -7.754 1.00 0.00 N ATOM 871 CA VAL A 54 3.964 -11.623 -7.653 1.00 0.00 C ATOM 872 C VAL A 54 4.003 -12.533 -8.885 1.00 0.00 C ATOM 873 O VAL A 54 4.942 -12.513 -9.656 1.00 0.00 O ATOM 874 CB VAL A 54 3.729 -12.411 -6.351 1.00 0.00 C ATOM 875 CG1 VAL A 54 4.201 -13.862 -6.494 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.497 -11.743 -5.209 1.00 0.00 C ATOM 0 H VAL A 54 2.000 -10.975 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 54 4.921 -11.102 -7.625 1.00 0.00 H new ATOM 0 HB VAL A 54 2.660 -12.413 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.024 -14.396 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.649 -14.346 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.266 -13.877 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.332 -12.299 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.562 -11.734 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.145 -10.719 -5.084 1.00 0.00 H new ATOM 886 N SER A 55 2.978 -13.312 -9.086 1.00 0.00 N ATOM 887 CA SER A 55 2.946 -14.204 -10.281 1.00 0.00 C ATOM 888 C SER A 55 2.167 -13.525 -11.407 1.00 0.00 C ATOM 889 O SER A 55 1.151 -12.900 -11.181 1.00 0.00 O ATOM 890 CB SER A 55 2.231 -15.477 -9.835 1.00 0.00 C ATOM 891 OG SER A 55 1.962 -15.409 -8.441 1.00 0.00 O ATOM 0 H SER A 55 2.162 -13.371 -8.477 1.00 0.00 H new ATOM 0 HA SER A 55 3.947 -14.422 -10.654 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.300 -15.597 -10.390 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.848 -16.349 -10.055 1.00 0.00 H new ATOM 0 HG SER A 55 1.255 -16.048 -8.213 1.00 0.00 H new ATOM 897 N GLY A 56 2.638 -13.634 -12.614 1.00 0.00 N ATOM 898 CA GLY A 56 1.929 -12.987 -13.746 1.00 0.00 C ATOM 899 C GLY A 56 2.466 -11.569 -13.909 1.00 0.00 C ATOM 900 O GLY A 56 2.274 -10.722 -13.060 1.00 0.00 O ATOM 0 H GLY A 56 3.485 -14.144 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.081 -13.557 -14.663 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.856 -12.966 -13.558 1.00 0.00 H new ATOM 904 N LYS A 57 3.144 -11.305 -14.988 1.00 0.00 N ATOM 905 CA LYS A 57 3.701 -9.938 -15.210 1.00 0.00 C ATOM 906 C LYS A 57 2.568 -8.924 -15.395 1.00 0.00 C ATOM 907 O LYS A 57 2.515 -8.207 -16.375 1.00 0.00 O ATOM 908 CB LYS A 57 4.532 -10.050 -16.489 1.00 0.00 C ATOM 909 CG LYS A 57 5.281 -8.737 -16.727 1.00 0.00 C ATOM 910 CD LYS A 57 5.982 -8.310 -15.437 1.00 0.00 C ATOM 911 CE LYS A 57 7.256 -7.534 -15.778 1.00 0.00 C ATOM 912 NZ LYS A 57 8.339 -8.217 -15.017 1.00 0.00 N ATOM 0 H LYS A 57 3.339 -11.977 -15.730 1.00 0.00 H new ATOM 0 HA LYS A 57 4.297 -9.596 -14.364 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.240 -10.875 -16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.885 -10.271 -17.338 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.011 -8.862 -17.526 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.585 -7.962 -17.049 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.316 -7.690 -14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.227 -9.186 -14.837 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.455 -7.553 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.170 -6.487 -15.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.245 -7.741 -15.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.127 -8.178 -14.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.402 -9.210 -15.319 1.00 0.00 H new ATOM 926 N ALA A 58 1.661 -8.861 -14.461 1.00 0.00 N ATOM 927 CA ALA A 58 0.530 -7.903 -14.572 1.00 0.00 C ATOM 928 C ALA A 58 1.044 -6.460 -14.532 1.00 0.00 C ATOM 929 O ALA A 58 2.207 -6.198 -14.769 1.00 0.00 O ATOM 930 CB ALA A 58 -0.333 -8.202 -13.350 1.00 0.00 C ATOM 0 H ALA A 58 1.656 -9.437 -13.619 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.020 -8.008 -15.507 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.199 -7.540 -13.345 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.669 -9.238 -13.387 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.251 -8.042 -12.444 1.00 0.00 H new ATOM 936 N ASN A 59 0.185 -5.524 -14.231 1.00 0.00 N ATOM 937 CA ASN A 59 0.622 -4.100 -14.173 1.00 0.00 C ATOM 938 C ASN A 59 0.615 -3.608 -12.723 1.00 0.00 C ATOM 939 O ASN A 59 0.767 -4.379 -11.796 1.00 0.00 O ATOM 940 CB ASN A 59 -0.410 -3.335 -15.005 1.00 0.00 C ATOM 941 CG ASN A 59 0.304 -2.517 -16.083 1.00 0.00 C ATOM 942 OD1 ASN A 59 1.370 -1.981 -15.851 1.00 0.00 O ATOM 943 ND2 ASN A 59 -0.244 -2.396 -17.262 1.00 0.00 N ATOM 0 H ASN A 59 -0.801 -5.684 -14.023 1.00 0.00 H new ATOM 0 HA ASN A 59 1.634 -3.960 -14.553 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.109 -4.032 -15.467 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.994 -2.677 -14.362 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.222 -1.852 -17.988 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.139 -2.846 -17.457 1.00 0.00 H new ATOM 950 N PHE A 60 0.437 -2.332 -12.521 1.00 0.00 N ATOM 951 CA PHE A 60 0.418 -1.791 -11.131 1.00 0.00 C ATOM 952 C PHE A 60 -0.021 -0.326 -11.144 1.00 0.00 C ATOM 953 O PHE A 60 -0.716 0.134 -10.259 1.00 0.00 O ATOM 954 CB PHE A 60 1.858 -1.911 -10.632 1.00 0.00 C ATOM 955 CG PHE A 60 1.913 -1.548 -9.168 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.948 -0.202 -8.782 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.925 -2.556 -8.197 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.996 0.135 -7.424 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.973 -2.219 -6.839 1.00 0.00 C ATOM 960 CZ PHE A 60 2.008 -0.874 -6.453 1.00 0.00 C ATOM 0 H PHE A 60 0.304 -1.639 -13.258 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.279 -2.331 -10.490 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.222 -2.928 -10.780 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.510 -1.252 -11.206 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.938 0.575 -9.532 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.897 -3.594 -8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.024 1.173 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.983 -2.997 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.044 -0.614 -5.405 1.00 0.00 H new ATOM 970 N GLU A 61 0.380 0.407 -12.143 1.00 0.00 N ATOM 971 CA GLU A 61 -0.010 1.843 -12.221 1.00 0.00 C ATOM 972 C GLU A 61 -1.532 1.972 -12.271 1.00 0.00 C ATOM 973 O GLU A 61 -2.184 2.123 -11.257 1.00 0.00 O ATOM 974 CB GLU A 61 0.614 2.353 -13.520 1.00 0.00 C ATOM 975 CG GLU A 61 2.116 2.552 -13.320 1.00 0.00 C ATOM 976 CD GLU A 61 2.560 3.831 -14.031 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.405 4.892 -13.449 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.045 3.728 -15.145 1.00 0.00 O ATOM 0 H GLU A 61 0.962 0.074 -12.911 1.00 0.00 H new ATOM 0 HA GLU A 61 0.330 2.412 -11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.435 1.641 -14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.148 3.293 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.347 2.616 -12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.663 1.695 -13.714 1.00 0.00 H new ATOM 985 N GLU A 62 -2.106 1.911 -13.441 1.00 0.00 N ATOM 986 CA GLU A 62 -3.587 2.025 -13.540 1.00 0.00 C ATOM 987 C GLU A 62 -4.235 1.153 -12.466 1.00 0.00 C ATOM 988 O GLU A 62 -5.284 1.470 -11.943 1.00 0.00 O ATOM 989 CB GLU A 62 -3.937 1.520 -14.939 1.00 0.00 C ATOM 990 CG GLU A 62 -4.934 2.482 -15.586 1.00 0.00 C ATOM 991 CD GLU A 62 -4.443 2.868 -16.982 1.00 0.00 C ATOM 992 OE1 GLU A 62 -3.534 2.216 -17.470 1.00 0.00 O ATOM 993 OE2 GLU A 62 -4.984 3.809 -17.540 1.00 0.00 O ATOM 0 H GLU A 62 -1.617 1.788 -14.327 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.943 3.044 -13.388 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.036 1.447 -15.548 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.365 0.519 -14.881 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.916 2.014 -15.652 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.046 3.374 -14.970 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.607 0.062 -12.118 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.180 -0.813 -11.061 1.00 0.00 C ATOM 1002 C VAL A 63 -4.269 -0.022 -9.760 1.00 0.00 C ATOM 1003 O VAL A 63 -5.220 -0.127 -9.014 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.192 -1.971 -10.913 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -3.693 -2.932 -9.834 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.074 -2.716 -12.243 1.00 0.00 C ATOM 0 H VAL A 63 -2.726 -0.258 -12.519 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.179 -1.172 -11.306 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.215 -1.580 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.990 -3.758 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.777 -2.402 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.670 -3.322 -10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.370 -3.541 -12.137 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.050 -3.107 -12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.718 -2.032 -13.013 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.276 0.776 -9.493 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.282 1.589 -8.248 1.00 0.00 C ATOM 1018 C ALA A 64 -4.290 2.732 -8.372 1.00 0.00 C ATOM 1019 O ALA A 64 -5.213 2.840 -7.594 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.860 2.138 -8.133 1.00 0.00 C ATOM 0 H ALA A 64 -2.456 0.901 -10.087 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.568 1.007 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.779 2.752 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.154 1.310 -8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.632 2.744 -9.010 1.00 0.00 H new ATOM 1026 N THR A 65 -4.115 3.582 -9.348 1.00 0.00 N ATOM 1027 CA THR A 65 -5.057 4.726 -9.532 1.00 0.00 C ATOM 1028 C THR A 65 -6.499 4.286 -9.257 1.00 0.00 C ATOM 1029 O THR A 65 -7.311 5.055 -8.783 1.00 0.00 O ATOM 1030 CB THR A 65 -4.885 5.144 -10.994 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.143 4.152 -11.686 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.140 6.477 -11.063 1.00 0.00 C ATOM 0 H THR A 65 -3.357 3.534 -10.029 1.00 0.00 H new ATOM 0 HA THR A 65 -4.849 5.547 -8.845 1.00 0.00 H new ATOM 0 HB THR A 65 -5.866 5.254 -11.456 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.356 4.562 -12.101 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.019 6.773 -12.105 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.710 7.240 -10.533 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.159 6.370 -10.600 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.821 3.053 -9.542 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.208 2.568 -9.285 1.00 0.00 C ATOM 1042 C ARG A 66 -8.342 2.129 -7.826 1.00 0.00 C ATOM 1043 O ARG A 66 -9.061 2.722 -7.047 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.392 1.376 -10.224 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.868 0.981 -10.260 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.038 -0.286 -11.101 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.062 -1.090 -10.380 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.162 -1.440 -10.987 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -12.938 -0.530 -11.509 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.486 -2.701 -11.073 1.00 0.00 N ATOM 0 H ARG A 66 -6.185 2.362 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.958 3.339 -9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.048 1.632 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.787 0.535 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.234 0.810 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.462 1.792 -10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.364 -0.047 -12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.098 -0.831 -11.189 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.904 -1.367 -9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.684 0.456 -11.442 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.798 -0.804 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.879 -3.412 -10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.346 -2.975 -11.548 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.633 1.104 -7.451 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.687 0.624 -6.042 1.00 0.00 C ATOM 1066 C VAL A 67 -6.529 1.248 -5.267 1.00 0.00 C ATOM 1067 O VAL A 67 -5.581 0.586 -4.897 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.536 -0.898 -6.122 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.329 -1.253 -6.991 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.328 -1.462 -4.716 1.00 0.00 C ATOM 0 H VAL A 67 -7.014 0.573 -8.064 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.612 0.896 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.437 -1.326 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.226 -2.337 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.472 -0.852 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.427 -0.824 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.220 -2.545 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.428 -1.029 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.188 -1.214 -4.094 1.00 0.00 H new ATOM 1080 N SER A 68 -6.591 2.531 -5.054 1.00 0.00 N ATOM 1081 CA SER A 68 -5.486 3.231 -4.334 1.00 0.00 C ATOM 1082 C SER A 68 -6.028 4.056 -3.159 1.00 0.00 C ATOM 1083 O SER A 68 -7.181 3.948 -2.792 1.00 0.00 O ATOM 1084 CB SER A 68 -4.891 4.145 -5.392 1.00 0.00 C ATOM 1085 OG SER A 68 -5.936 4.567 -6.260 1.00 0.00 O ATOM 0 H SER A 68 -7.362 3.130 -5.348 1.00 0.00 H new ATOM 0 HA SER A 68 -4.761 2.538 -3.907 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.415 5.007 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.119 3.621 -5.955 1.00 0.00 H new ATOM 0 HG SER A 68 -6.166 3.838 -6.874 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.199 4.881 -2.565 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.667 5.711 -1.413 1.00 0.00 C ATOM 1093 C ASP A 69 -6.191 7.063 -1.908 1.00 0.00 C ATOM 1094 O ASP A 69 -5.514 8.071 -1.860 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.445 5.859 -0.490 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.545 7.157 0.319 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.196 7.140 1.352 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.972 8.145 -0.109 1.00 0.00 O ATOM 0 H ASP A 69 -4.222 5.014 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.498 5.251 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.385 5.005 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.531 5.861 -1.083 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.408 7.067 -2.375 1.00 0.00 N ATOM 1104 CA CYS A 70 -8.045 8.315 -2.886 1.00 0.00 C ATOM 1105 C CYS A 70 -7.009 9.257 -3.518 1.00 0.00 C ATOM 1106 O CYS A 70 -6.574 9.052 -4.635 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.703 8.958 -1.665 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.545 10.479 -2.167 1.00 0.00 S ATOM 0 H CYS A 70 -8.002 6.239 -2.425 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.769 8.103 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.415 8.266 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.951 9.179 -0.907 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.107 11.026 -1.130 1.00 0.00 H new ATOM 1114 N SER A 71 -6.596 10.283 -2.816 1.00 0.00 N ATOM 1115 CA SER A 71 -5.575 11.202 -3.392 1.00 0.00 C ATOM 1116 C SER A 71 -4.462 10.357 -3.979 1.00 0.00 C ATOM 1117 O SER A 71 -4.068 10.517 -5.118 1.00 0.00 O ATOM 1118 CB SER A 71 -5.068 12.014 -2.205 1.00 0.00 C ATOM 1119 OG SER A 71 -4.151 13.000 -2.660 1.00 0.00 O ATOM 0 H SER A 71 -6.920 10.520 -1.878 1.00 0.00 H new ATOM 0 HA SER A 71 -5.961 11.851 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.904 12.489 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.583 11.357 -1.483 1.00 0.00 H new ATOM 0 HG SER A 71 -3.827 13.522 -1.897 1.00 0.00 H new ATOM 1125 N SER A 72 -3.975 9.432 -3.211 1.00 0.00 N ATOM 1126 CA SER A 72 -2.911 8.540 -3.727 1.00 0.00 C ATOM 1127 C SER A 72 -3.385 7.940 -5.044 1.00 0.00 C ATOM 1128 O SER A 72 -2.609 7.704 -5.937 1.00 0.00 O ATOM 1129 CB SER A 72 -2.738 7.458 -2.668 1.00 0.00 C ATOM 1130 OG SER A 72 -1.982 7.976 -1.581 1.00 0.00 O ATOM 0 H SER A 72 -4.267 9.255 -2.250 1.00 0.00 H new ATOM 0 HA SER A 72 -1.969 9.056 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.712 7.118 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.233 6.592 -3.096 1.00 0.00 H new ATOM 0 HG SER A 72 -2.517 7.933 -0.761 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.662 7.722 -5.199 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.135 7.178 -6.499 1.00 0.00 C ATOM 1138 C ALA A 73 -4.573 8.066 -7.601 1.00 0.00 C ATOM 1139 O ALA A 73 -4.098 7.597 -8.616 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.661 7.248 -6.458 1.00 0.00 C ATOM 0 H ALA A 73 -5.383 7.893 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.814 6.153 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.068 6.860 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.030 6.650 -5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.974 8.284 -6.329 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.585 9.352 -7.382 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.004 10.278 -8.390 1.00 0.00 C ATOM 1148 C LYS A 74 -2.509 9.963 -8.506 1.00 0.00 C ATOM 1149 O LYS A 74 -1.891 10.134 -9.538 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.235 11.680 -7.818 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.751 12.725 -8.826 1.00 0.00 C ATOM 1152 CD LYS A 74 -4.849 12.988 -9.860 1.00 0.00 C ATOM 1153 CE LYS A 74 -4.291 12.759 -11.267 1.00 0.00 C ATOM 1154 NZ LYS A 74 -5.069 11.610 -11.809 1.00 0.00 N ATOM 0 H LYS A 74 -4.971 9.799 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.446 10.189 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.293 11.828 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.700 11.793 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.494 13.650 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.846 12.374 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.697 12.327 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.216 14.010 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.412 13.646 -11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.225 12.534 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.987 11.593 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.695 10.722 -11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.069 11.712 -11.543 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.949 9.469 -7.434 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.508 9.082 -7.406 1.00 0.00 C ATOM 1170 C ARG A 75 -0.414 7.574 -7.144 1.00 0.00 C ATOM 1171 O ARG A 75 0.403 7.111 -6.373 1.00 0.00 O ATOM 1172 CB ARG A 75 0.075 9.858 -6.226 1.00 0.00 C ATOM 1173 CG ARG A 75 1.594 9.702 -6.207 1.00 0.00 C ATOM 1174 CD ARG A 75 2.049 9.298 -4.802 1.00 0.00 C ATOM 1175 NE ARG A 75 2.714 10.511 -4.252 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.602 10.799 -2.984 1.00 0.00 C ATOM 1177 NH1 ARG A 75 2.407 9.846 -2.113 1.00 0.00 N ATOM 1178 NH2 ARG A 75 2.689 12.039 -2.587 1.00 0.00 N ATOM 0 H ARG A 75 -2.443 9.314 -6.555 1.00 0.00 H new ATOM 0 HA ARG A 75 0.018 9.299 -8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.191 10.912 -6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.350 9.491 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.902 8.948 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.070 10.638 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.203 8.997 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.736 8.452 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 75 3.257 11.117 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.342 8.877 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.319 10.071 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.844 12.783 -3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.602 12.265 -1.596 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.278 6.814 -7.765 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.296 5.339 -7.551 1.00 0.00 C ATOM 1194 C GLY A 76 0.007 4.727 -8.039 1.00 0.00 C ATOM 1195 O GLY A 76 0.288 3.569 -7.803 1.00 0.00 O ATOM 0 H GLY A 76 -1.980 7.159 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.437 5.118 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.137 4.896 -8.084 1.00 0.00 H new ATOM 1199 N GLY A 77 0.807 5.490 -8.717 1.00 0.00 N ATOM 1200 CA GLY A 77 2.093 4.942 -9.215 1.00 0.00 C ATOM 1201 C GLY A 77 2.948 4.496 -8.028 1.00 0.00 C ATOM 1202 O GLY A 77 2.739 3.445 -7.441 1.00 0.00 O ATOM 0 H GLY A 77 0.628 6.467 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.908 4.099 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.623 5.697 -9.795 1.00 0.00 H new ATOM 1206 N ASP A 78 3.912 5.287 -7.665 1.00 0.00 N ATOM 1207 CA ASP A 78 4.782 4.903 -6.521 1.00 0.00 C ATOM 1208 C ASP A 78 5.288 6.140 -5.781 1.00 0.00 C ATOM 1209 O ASP A 78 5.285 7.238 -6.302 1.00 0.00 O ATOM 1210 CB ASP A 78 5.951 4.148 -7.157 1.00 0.00 C ATOM 1211 CG ASP A 78 6.673 5.063 -8.149 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.492 6.266 -8.055 1.00 0.00 O ATOM 1213 OD2 ASP A 78 7.394 4.544 -8.984 1.00 0.00 O ATOM 0 H ASP A 78 4.136 6.179 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 78 4.247 4.301 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.644 3.813 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.587 3.256 -7.668 1.00 0.00 H new ATOM 1218 N LEU A 79 5.739 5.962 -4.571 1.00 0.00 N ATOM 1219 CA LEU A 79 6.266 7.117 -3.795 1.00 0.00 C ATOM 1220 C LEU A 79 7.493 7.673 -4.512 1.00 0.00 C ATOM 1221 O LEU A 79 7.473 8.748 -5.077 1.00 0.00 O ATOM 1222 CB LEU A 79 6.668 6.537 -2.435 1.00 0.00 C ATOM 1223 CG LEU A 79 5.427 6.312 -1.565 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.463 5.359 -2.273 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.851 5.692 -0.230 1.00 0.00 C ATOM 0 H LEU A 79 5.765 5.065 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 79 5.540 7.923 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.197 5.595 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.355 7.216 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 79 4.932 7.268 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.583 5.203 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.160 5.790 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.958 4.404 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.971 5.530 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.346 4.738 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.538 6.366 0.282 1.00 0.00 H new ATOM 1237 N GLY A 80 8.560 6.932 -4.487 1.00 0.00 N ATOM 1238 CA GLY A 80 9.809 7.374 -5.156 1.00 0.00 C ATOM 1239 C GLY A 80 10.972 7.133 -4.210 1.00 0.00 C ATOM 1240 O GLY A 80 11.623 6.111 -4.260 1.00 0.00 O ATOM 0 H GLY A 80 8.620 6.025 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.956 6.824 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.746 8.430 -5.417 1.00 0.00 H new ATOM 1244 N SER A 81 11.232 8.058 -3.334 1.00 0.00 N ATOM 1245 CA SER A 81 12.356 7.869 -2.383 1.00 0.00 C ATOM 1246 C SER A 81 12.123 8.638 -1.085 1.00 0.00 C ATOM 1247 O SER A 81 11.749 9.794 -1.084 1.00 0.00 O ATOM 1248 CB SER A 81 13.578 8.400 -3.111 1.00 0.00 C ATOM 1249 OG SER A 81 13.831 9.738 -2.701 1.00 0.00 O ATOM 0 H SER A 81 10.717 8.933 -3.236 1.00 0.00 H new ATOM 0 HA SER A 81 12.468 6.824 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.443 7.773 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.417 8.363 -4.188 1.00 0.00 H new ATOM 0 HG SER A 81 14.621 10.080 -3.170 1.00 0.00 H new ATOM 1255 N PHE A 82 12.353 7.988 0.017 1.00 0.00 N ATOM 1256 CA PHE A 82 12.171 8.637 1.342 1.00 0.00 C ATOM 1257 C PHE A 82 12.995 7.870 2.376 1.00 0.00 C ATOM 1258 O PHE A 82 13.758 6.992 2.030 1.00 0.00 O ATOM 1259 CB PHE A 82 10.676 8.519 1.640 1.00 0.00 C ATOM 1260 CG PHE A 82 10.228 7.096 1.409 1.00 0.00 C ATOM 1261 CD1 PHE A 82 10.030 6.625 0.105 1.00 0.00 C ATOM 1262 CD2 PHE A 82 10.008 6.249 2.499 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.612 5.305 -0.105 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.592 4.933 2.290 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.393 4.458 0.988 1.00 0.00 C ATOM 0 H PHE A 82 12.665 7.018 0.057 1.00 0.00 H new ATOM 0 HA PHE A 82 12.495 9.678 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.475 8.812 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.112 9.198 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.199 7.279 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.160 6.613 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.459 4.940 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.423 4.280 3.134 1.00 0.00 H new ATOM 0 HZ PHE A 82 9.071 3.440 0.827 1.00 0.00 H new ATOM 1275 N GLY A 83 12.861 8.178 3.633 1.00 0.00 N ATOM 1276 CA GLY A 83 13.661 7.433 4.643 1.00 0.00 C ATOM 1277 C GLY A 83 13.095 7.656 6.048 1.00 0.00 C ATOM 1278 O GLY A 83 12.226 6.935 6.497 1.00 0.00 O ATOM 0 H GLY A 83 12.243 8.901 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.655 6.369 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.700 7.762 4.607 1.00 0.00 H new ATOM 1282 N ARG A 84 13.589 8.636 6.753 1.00 0.00 N ATOM 1283 CA ARG A 84 13.086 8.885 8.138 1.00 0.00 C ATOM 1284 C ARG A 84 11.920 9.878 8.116 1.00 0.00 C ATOM 1285 O ARG A 84 11.819 10.712 7.237 1.00 0.00 O ATOM 1286 CB ARG A 84 14.281 9.468 8.905 1.00 0.00 C ATOM 1287 CG ARG A 84 15.592 8.806 8.448 1.00 0.00 C ATOM 1288 CD ARG A 84 15.374 7.306 8.205 1.00 0.00 C ATOM 1289 NE ARG A 84 16.645 6.658 8.632 1.00 0.00 N ATOM 1290 CZ ARG A 84 16.633 5.770 9.587 1.00 0.00 C ATOM 1291 NH1 ARG A 84 15.950 4.667 9.443 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.303 5.983 10.686 1.00 0.00 N ATOM 0 H ARG A 84 14.317 9.275 6.433 1.00 0.00 H new ATOM 0 HA ARG A 84 12.712 7.974 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.335 10.544 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.143 9.314 9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.948 9.281 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.363 8.951 9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.527 6.932 8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.161 7.103 7.156 1.00 0.00 H new ATOM 0 HE ARG A 84 17.524 6.908 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.426 4.500 8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.940 3.972 10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.837 6.845 10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.293 5.288 11.432 1.00 0.00 H new ATOM 1306 N GLY A 85 11.033 9.792 9.074 1.00 0.00 N ATOM 1307 CA GLY A 85 9.868 10.726 9.105 1.00 0.00 C ATOM 1308 C GLY A 85 8.814 10.254 8.104 1.00 0.00 C ATOM 1309 O GLY A 85 7.658 10.078 8.433 1.00 0.00 O ATOM 0 H GLY A 85 11.065 9.115 9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.443 10.762 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.192 11.737 8.860 1.00 0.00 H new ATOM 1313 N GLN A 86 9.215 10.061 6.881 1.00 0.00 N ATOM 1314 CA GLN A 86 8.265 9.605 5.822 1.00 0.00 C ATOM 1315 C GLN A 86 7.289 8.552 6.349 1.00 0.00 C ATOM 1316 O GLN A 86 7.440 8.017 7.429 1.00 0.00 O ATOM 1317 CB GLN A 86 9.143 8.978 4.736 1.00 0.00 C ATOM 1318 CG GLN A 86 10.223 8.098 5.380 1.00 0.00 C ATOM 1319 CD GLN A 86 9.573 6.855 5.990 1.00 0.00 C ATOM 1320 OE1 GLN A 86 9.112 5.984 5.280 1.00 0.00 O ATOM 1321 NE2 GLN A 86 9.519 6.736 7.289 1.00 0.00 N ATOM 0 H GLN A 86 10.174 10.201 6.562 1.00 0.00 H new ATOM 0 HA GLN A 86 7.664 10.439 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.530 8.381 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 86 9.609 9.760 4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 86 10.962 7.806 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.753 8.659 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.906 7.468 7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.090 5.911 7.708 1.00 0.00 H new ATOM 1330 N MET A 87 6.301 8.237 5.558 1.00 0.00 N ATOM 1331 CA MET A 87 5.304 7.202 5.957 1.00 0.00 C ATOM 1332 C MET A 87 4.934 7.334 7.439 1.00 0.00 C ATOM 1333 O MET A 87 4.102 8.139 7.806 1.00 0.00 O ATOM 1334 CB MET A 87 6.007 5.875 5.671 1.00 0.00 C ATOM 1335 CG MET A 87 5.715 5.413 4.230 1.00 0.00 C ATOM 1336 SD MET A 87 5.556 6.830 3.104 1.00 0.00 S ATOM 1337 CE MET A 87 7.305 6.969 2.666 1.00 0.00 C ATOM 0 H MET A 87 6.140 8.657 4.642 1.00 0.00 H new ATOM 0 HA MET A 87 4.363 7.295 5.414 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.082 5.987 5.813 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.670 5.117 6.378 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.517 4.760 3.885 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.796 4.827 4.213 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.523 7.992 2.358 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.918 6.712 3.530 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.530 6.287 1.846 1.00 0.00 H new ATOM 1347 N GLN A 88 5.533 6.550 8.295 1.00 0.00 N ATOM 1348 CA GLN A 88 5.191 6.644 9.745 1.00 0.00 C ATOM 1349 C GLN A 88 6.120 5.758 10.576 1.00 0.00 C ATOM 1350 O GLN A 88 6.797 6.217 11.474 1.00 0.00 O ATOM 1351 CB GLN A 88 3.752 6.135 9.840 1.00 0.00 C ATOM 1352 CG GLN A 88 2.839 7.261 10.325 1.00 0.00 C ATOM 1353 CD GLN A 88 1.699 7.458 9.325 1.00 0.00 C ATOM 1354 OE1 GLN A 88 1.327 6.540 8.620 1.00 0.00 O ATOM 1355 NE2 GLN A 88 1.124 8.626 9.231 1.00 0.00 N ATOM 0 H GLN A 88 6.239 5.854 8.056 1.00 0.00 H new ATOM 0 HA GLN A 88 5.300 7.659 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.418 5.776 8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.699 5.290 10.526 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.437 7.019 11.309 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.408 8.185 10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.435 9.397 9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.363 8.768 8.567 1.00 0.00 H new ATOM 1364 N LYS A 89 6.152 4.492 10.282 1.00 0.00 N ATOM 1365 CA LYS A 89 7.031 3.564 11.049 1.00 0.00 C ATOM 1366 C LYS A 89 6.845 2.124 10.556 1.00 0.00 C ATOM 1367 O LYS A 89 7.801 1.483 10.169 1.00 0.00 O ATOM 1368 CB LYS A 89 6.597 3.704 12.510 1.00 0.00 C ATOM 1369 CG LYS A 89 7.188 2.555 13.333 1.00 0.00 C ATOM 1370 CD LYS A 89 6.513 2.508 14.705 1.00 0.00 C ATOM 1371 CE LYS A 89 7.083 3.615 15.595 1.00 0.00 C ATOM 1372 NZ LYS A 89 7.774 2.898 16.704 1.00 0.00 N ATOM 0 H LYS A 89 5.605 4.055 9.540 1.00 0.00 H new ATOM 0 HA LYS A 89 8.087 3.803 10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.932 4.661 12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.509 3.693 12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.043 1.609 12.812 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.263 2.693 13.450 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.436 2.633 14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.675 1.535 15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.776 4.249 15.042 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.293 4.263 15.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.192 3.590 17.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.088 2.308 17.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.525 2.295 16.312 1.00 0.00 H new ATOM 1386 N PRO A 90 5.620 1.656 10.573 1.00 0.00 N ATOM 1387 CA PRO A 90 5.338 0.277 10.104 1.00 0.00 C ATOM 1388 C PRO A 90 5.635 0.165 8.609 1.00 0.00 C ATOM 1389 O PRO A 90 6.276 -0.768 8.167 1.00 0.00 O ATOM 1390 CB PRO A 90 3.851 0.090 10.402 1.00 0.00 C ATOM 1391 CG PRO A 90 3.302 1.477 10.444 1.00 0.00 C ATOM 1392 CD PRO A 90 4.396 2.339 11.013 1.00 0.00 C ATOM 0 HA PRO A 90 5.949 -0.485 10.589 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.364 -0.507 9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.698 -0.427 11.350 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.018 1.815 9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.406 1.524 11.064 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.345 3.359 10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.337 2.401 12.100 1.00 0.00 H new ATOM 1400 N PHE A 91 5.197 1.114 7.825 1.00 0.00 N ATOM 1401 CA PHE A 91 5.490 1.048 6.366 1.00 0.00 C ATOM 1402 C PHE A 91 6.999 1.031 6.160 1.00 0.00 C ATOM 1403 O PHE A 91 7.552 0.135 5.559 1.00 0.00 O ATOM 1404 CB PHE A 91 4.894 2.324 5.754 1.00 0.00 C ATOM 1405 CG PHE A 91 5.224 2.373 4.274 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.557 2.499 3.848 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.201 2.266 3.323 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.863 2.518 2.491 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.512 2.292 1.955 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.843 2.416 1.541 1.00 0.00 C ATOM 0 H PHE A 91 4.655 1.923 8.128 1.00 0.00 H new ATOM 0 HA PHE A 91 5.070 0.154 5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.814 2.340 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.295 3.204 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.349 2.582 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.174 2.164 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.890 2.612 2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.723 2.216 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.082 2.433 0.488 1.00 0.00 H new ATOM 1420 N GLU A 92 7.665 2.037 6.644 1.00 0.00 N ATOM 1421 CA GLU A 92 9.139 2.109 6.470 1.00 0.00 C ATOM 1422 C GLU A 92 9.765 0.740 6.725 1.00 0.00 C ATOM 1423 O GLU A 92 10.393 0.162 5.860 1.00 0.00 O ATOM 1424 CB GLU A 92 9.610 3.122 7.513 1.00 0.00 C ATOM 1425 CG GLU A 92 10.875 3.817 7.015 1.00 0.00 C ATOM 1426 CD GLU A 92 12.007 3.596 8.019 1.00 0.00 C ATOM 1427 OE1 GLU A 92 12.120 2.490 8.522 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.743 4.537 8.268 1.00 0.00 O ATOM 0 H GLU A 92 7.251 2.816 7.155 1.00 0.00 H new ATOM 0 HA GLU A 92 9.425 2.404 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.828 3.858 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.807 2.620 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.158 3.424 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.691 4.884 6.888 1.00 0.00 H new ATOM 1435 N GLU A 93 9.595 0.213 7.903 1.00 0.00 N ATOM 1436 CA GLU A 93 10.178 -1.123 8.201 1.00 0.00 C ATOM 1437 C GLU A 93 9.760 -2.111 7.104 1.00 0.00 C ATOM 1438 O GLU A 93 10.420 -3.101 6.859 1.00 0.00 O ATOM 1439 CB GLU A 93 9.615 -1.510 9.581 1.00 0.00 C ATOM 1440 CG GLU A 93 8.368 -2.390 9.436 1.00 0.00 C ATOM 1441 CD GLU A 93 8.787 -3.861 9.420 1.00 0.00 C ATOM 1442 OE1 GLU A 93 9.972 -4.120 9.548 1.00 0.00 O ATOM 1443 OE2 GLU A 93 7.916 -4.703 9.281 1.00 0.00 O ATOM 0 H GLU A 93 9.080 0.647 8.669 1.00 0.00 H new ATOM 0 HA GLU A 93 11.268 -1.126 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.376 -2.042 10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.366 -0.609 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.680 -2.205 10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.838 -2.141 8.517 1.00 0.00 H new ATOM 1450 N ALA A 94 8.674 -1.830 6.433 1.00 0.00 N ATOM 1451 CA ALA A 94 8.214 -2.732 5.336 1.00 0.00 C ATOM 1452 C ALA A 94 9.156 -2.606 4.144 1.00 0.00 C ATOM 1453 O ALA A 94 9.773 -3.560 3.716 1.00 0.00 O ATOM 1454 CB ALA A 94 6.820 -2.228 4.957 1.00 0.00 C ATOM 0 H ALA A 94 8.085 -1.014 6.597 1.00 0.00 H new ATOM 0 HA ALA A 94 8.199 -3.779 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.416 -2.844 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.163 -2.287 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.886 -1.193 4.622 1.00 0.00 H new ATOM 1460 N THR A 95 9.276 -1.425 3.612 1.00 0.00 N ATOM 1461 CA THR A 95 10.185 -1.218 2.454 1.00 0.00 C ATOM 1462 C THR A 95 11.629 -1.431 2.909 1.00 0.00 C ATOM 1463 O THR A 95 12.485 -1.831 2.145 1.00 0.00 O ATOM 1464 CB THR A 95 9.954 0.232 2.028 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.560 0.506 2.033 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.512 0.451 0.622 1.00 0.00 C ATOM 0 H THR A 95 8.782 -0.591 3.930 1.00 0.00 H new ATOM 0 HA THR A 95 9.997 -1.908 1.632 1.00 0.00 H new ATOM 0 HB THR A 95 10.461 0.900 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.348 1.109 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.346 1.485 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.581 0.239 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.008 -0.216 -0.078 1.00 0.00 H new ATOM 1474 N TYR A 96 11.895 -1.176 4.160 1.00 0.00 N ATOM 1475 CA TYR A 96 13.274 -1.371 4.690 1.00 0.00 C ATOM 1476 C TYR A 96 13.526 -2.861 4.935 1.00 0.00 C ATOM 1477 O TYR A 96 14.643 -3.335 4.870 1.00 0.00 O ATOM 1478 CB TYR A 96 13.299 -0.600 6.012 1.00 0.00 C ATOM 1479 CG TYR A 96 13.829 0.796 5.784 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.208 1.013 5.683 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.943 1.875 5.683 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.700 2.309 5.478 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.436 3.170 5.480 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.814 3.386 5.377 1.00 0.00 C ATOM 1485 OH TYR A 96 15.299 4.663 5.178 1.00 0.00 O ATOM 0 H TYR A 96 11.214 -0.840 4.841 1.00 0.00 H new ATOM 0 HA TYR A 96 14.042 -1.021 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.295 -0.553 6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.925 -1.122 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.893 0.182 5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.879 1.709 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.764 2.476 5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.752 4.002 5.403 1.00 0.00 H new ATOM 0 HH TYR A 96 16.094 4.626 4.606 1.00 0.00 H new ATOM 1495 N ALA A 97 12.487 -3.601 5.216 1.00 0.00 N ATOM 1496 CA ALA A 97 12.652 -5.062 5.467 1.00 0.00 C ATOM 1497 C ALA A 97 12.733 -5.820 4.139 1.00 0.00 C ATOM 1498 O ALA A 97 13.184 -6.947 4.082 1.00 0.00 O ATOM 1499 CB ALA A 97 11.397 -5.471 6.242 1.00 0.00 C ATOM 0 H ALA A 97 11.529 -3.256 5.283 1.00 0.00 H new ATOM 0 HA ALA A 97 13.565 -5.288 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.440 -6.537 6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.343 -4.905 7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.513 -5.263 5.639 1.00 0.00 H new ATOM 1505 N LEU A 98 12.300 -5.209 3.070 1.00 0.00 N ATOM 1506 CA LEU A 98 12.350 -5.893 1.746 1.00 0.00 C ATOM 1507 C LEU A 98 13.714 -5.671 1.087 1.00 0.00 C ATOM 1508 O LEU A 98 14.584 -5.029 1.641 1.00 0.00 O ATOM 1509 CB LEU A 98 11.243 -5.234 0.923 1.00 0.00 C ATOM 1510 CG LEU A 98 10.578 -6.279 0.026 1.00 0.00 C ATOM 1511 CD1 LEU A 98 9.366 -6.876 0.745 1.00 0.00 C ATOM 1512 CD2 LEU A 98 10.121 -5.614 -1.275 1.00 0.00 C ATOM 0 H LEU A 98 11.914 -4.265 3.056 1.00 0.00 H new ATOM 0 HA LEU A 98 12.211 -6.971 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.503 -4.784 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.658 -4.430 0.315 1.00 0.00 H new ATOM 0 HG LEU A 98 11.292 -7.071 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.893 -7.620 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.689 -7.348 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.651 -6.085 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.647 -6.357 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.407 -4.822 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.983 -5.189 -1.789 1.00 0.00 H new ATOM 1524 N LYS A 99 13.908 -6.196 -0.093 1.00 0.00 N ATOM 1525 CA LYS A 99 15.216 -6.011 -0.786 1.00 0.00 C ATOM 1526 C LYS A 99 15.052 -6.250 -2.289 1.00 0.00 C ATOM 1527 O LYS A 99 15.665 -7.132 -2.857 1.00 0.00 O ATOM 1528 CB LYS A 99 16.146 -7.059 -0.174 1.00 0.00 C ATOM 1529 CG LYS A 99 15.502 -8.443 -0.286 1.00 0.00 C ATOM 1530 CD LYS A 99 15.639 -9.180 1.047 1.00 0.00 C ATOM 1531 CE LYS A 99 16.488 -10.439 0.852 1.00 0.00 C ATOM 1532 NZ LYS A 99 15.542 -11.574 1.041 1.00 0.00 N ATOM 0 H LYS A 99 13.218 -6.744 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 99 15.609 -5.002 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.107 -7.051 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.341 -6.821 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.450 -8.345 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.981 -9.015 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.101 -8.529 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.654 -9.449 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.939 -10.462 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.304 -10.481 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.051 -12.473 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.134 -11.530 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.780 -11.512 0.336 1.00 0.00 H new ATOM 1546 N VAL A 100 14.230 -5.471 -2.937 1.00 0.00 N ATOM 1547 CA VAL A 100 14.028 -5.656 -4.401 1.00 0.00 C ATOM 1548 C VAL A 100 13.807 -7.138 -4.716 1.00 0.00 C ATOM 1549 O VAL A 100 14.585 -7.760 -5.410 1.00 0.00 O ATOM 1550 CB VAL A 100 15.320 -5.152 -5.043 1.00 0.00 C ATOM 1551 CG1 VAL A 100 15.298 -5.453 -6.543 1.00 0.00 C ATOM 1552 CG2 VAL A 100 15.435 -3.641 -4.825 1.00 0.00 C ATOM 0 H VAL A 100 13.690 -4.715 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 100 13.155 -5.120 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 100 16.174 -5.653 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.220 -5.093 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.213 -6.529 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.446 -4.952 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.355 -3.277 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 100 14.581 -3.141 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.451 -3.428 -3.756 1.00 0.00 H new ATOM 1562 N GLY A 101 12.750 -7.705 -4.204 1.00 0.00 N ATOM 1563 CA GLY A 101 12.470 -9.145 -4.463 1.00 0.00 C ATOM 1564 C GLY A 101 11.552 -9.683 -3.366 1.00 0.00 C ATOM 1565 O GLY A 101 11.962 -10.450 -2.517 1.00 0.00 O ATOM 0 H GLY A 101 12.065 -7.231 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.000 -9.267 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.401 -9.711 -4.485 1.00 0.00 H new ATOM 1569 N ASP A 102 10.314 -9.281 -3.378 1.00 0.00 N ATOM 1570 CA ASP A 102 9.358 -9.759 -2.336 1.00 0.00 C ATOM 1571 C ASP A 102 8.034 -8.996 -2.440 1.00 0.00 C ATOM 1572 O ASP A 102 6.994 -9.485 -2.047 1.00 0.00 O ATOM 1573 CB ASP A 102 10.040 -9.456 -1.001 1.00 0.00 C ATOM 1574 CG ASP A 102 10.562 -10.755 -0.384 1.00 0.00 C ATOM 1575 OD1 ASP A 102 9.783 -11.688 -0.268 1.00 0.00 O ATOM 1576 OD2 ASP A 102 11.730 -10.795 -0.035 1.00 0.00 O ATOM 0 H ASP A 102 9.919 -8.640 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 102 9.127 -10.818 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.863 -8.757 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.335 -8.977 -0.322 1.00 0.00 H new ATOM 1581 N ILE A 103 8.067 -7.799 -2.962 1.00 0.00 N ATOM 1582 CA ILE A 103 6.814 -7.000 -3.090 1.00 0.00 C ATOM 1583 C ILE A 103 6.165 -6.807 -1.718 1.00 0.00 C ATOM 1584 O ILE A 103 5.039 -7.205 -1.487 1.00 0.00 O ATOM 1585 CB ILE A 103 5.910 -7.816 -4.014 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.536 -7.865 -5.410 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.533 -7.155 -4.094 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.586 -8.575 -6.378 1.00 0.00 C ATOM 0 H ILE A 103 8.910 -7.339 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 103 6.999 -6.003 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 103 5.802 -8.828 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.741 -6.854 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.491 -8.389 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.888 -7.736 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.091 -7.113 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.637 -6.144 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.035 -8.608 -7.371 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.403 -9.591 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.642 -8.032 -6.425 1.00 0.00 H new ATOM 1600 N SER A 104 6.869 -6.193 -0.808 1.00 0.00 N ATOM 1601 CA SER A 104 6.303 -5.961 0.553 1.00 0.00 C ATOM 1602 C SER A 104 5.686 -7.249 1.106 1.00 0.00 C ATOM 1603 O SER A 104 5.922 -8.330 0.604 1.00 0.00 O ATOM 1604 CB SER A 104 5.232 -4.886 0.355 1.00 0.00 C ATOM 1605 OG SER A 104 3.950 -5.436 0.632 1.00 0.00 O ATOM 0 H SER A 104 7.816 -5.840 -0.948 1.00 0.00 H new ATOM 0 HA SER A 104 7.064 -5.652 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.426 -4.039 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.265 -4.509 -0.667 1.00 0.00 H new ATOM 0 HG SER A 104 3.274 -4.980 0.089 1.00 0.00 H new ATOM 1611 N ASP A 105 4.897 -7.139 2.141 1.00 0.00 N ATOM 1612 CA ASP A 105 4.262 -8.352 2.734 1.00 0.00 C ATOM 1613 C ASP A 105 3.047 -7.953 3.577 1.00 0.00 C ATOM 1614 O ASP A 105 3.133 -7.811 4.780 1.00 0.00 O ATOM 1615 CB ASP A 105 5.345 -8.973 3.618 1.00 0.00 C ATOM 1616 CG ASP A 105 6.320 -9.771 2.751 1.00 0.00 C ATOM 1617 OD1 ASP A 105 5.867 -10.400 1.809 1.00 0.00 O ATOM 1618 OD2 ASP A 105 7.504 -9.739 3.044 1.00 0.00 O ATOM 0 H ASP A 105 4.664 -6.260 2.602 1.00 0.00 H new ATOM 0 HA ASP A 105 3.908 -9.047 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.879 -8.192 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.890 -9.624 4.365 1.00 0.00 H new ATOM 1623 N ILE A 106 1.916 -7.767 2.953 1.00 0.00 N ATOM 1624 CA ILE A 106 0.697 -7.372 3.717 1.00 0.00 C ATOM 1625 C ILE A 106 0.965 -6.095 4.519 1.00 0.00 C ATOM 1626 O ILE A 106 1.275 -6.140 5.693 1.00 0.00 O ATOM 1627 CB ILE A 106 0.409 -8.545 4.655 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.520 -9.859 3.874 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.006 -8.405 5.221 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.126 -10.993 4.676 1.00 0.00 C ATOM 0 H ILE A 106 1.783 -7.871 1.947 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.148 -7.164 3.060 1.00 0.00 H new ATOM 0 HB ILE A 106 1.130 -8.546 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.029 -9.760 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.567 -10.090 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.214 -9.240 5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.086 -7.469 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.727 -8.407 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.045 -11.926 4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.384 -11.098 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.177 -10.763 4.849 1.00 0.00 H new ATOM 1642 N VAL A 107 0.849 -4.955 3.893 1.00 0.00 N ATOM 1643 CA VAL A 107 1.099 -3.675 4.616 1.00 0.00 C ATOM 1644 C VAL A 107 -0.203 -3.132 5.215 1.00 0.00 C ATOM 1645 O VAL A 107 -1.182 -2.937 4.525 1.00 0.00 O ATOM 1646 CB VAL A 107 1.634 -2.718 3.552 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.206 -1.471 4.228 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.736 -3.412 2.749 1.00 0.00 C ATOM 0 H VAL A 107 0.592 -4.855 2.911 1.00 0.00 H new ATOM 0 HA VAL A 107 1.797 -3.803 5.443 1.00 0.00 H new ATOM 0 HB VAL A 107 0.823 -2.430 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.588 -0.788 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.422 -0.975 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.017 -1.759 4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.118 -2.729 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.547 -3.701 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.330 -4.301 2.266 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.213 -2.880 6.496 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.442 -2.341 7.150 1.00 0.00 C ATOM 1660 C ASP A 108 -1.087 -1.090 7.962 1.00 0.00 C ATOM 1661 O ASP A 108 -0.473 -1.174 9.007 1.00 0.00 O ATOM 1662 CB ASP A 108 -1.935 -3.461 8.069 1.00 0.00 C ATOM 1663 CG ASP A 108 -0.743 -4.124 8.766 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.341 -3.631 9.807 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -0.252 -5.111 8.244 1.00 0.00 O ATOM 0 H ASP A 108 0.580 -3.025 7.121 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.206 -2.052 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.624 -3.058 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.488 -4.201 7.491 1.00 0.00 H new ATOM 1670 N THR A 109 -1.462 0.070 7.491 1.00 0.00 N ATOM 1671 CA THR A 109 -1.132 1.317 8.240 1.00 0.00 C ATOM 1672 C THR A 109 -2.248 2.345 8.061 1.00 0.00 C ATOM 1673 O THR A 109 -3.386 2.000 7.812 1.00 0.00 O ATOM 1674 CB THR A 109 0.165 1.824 7.607 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.091 2.227 6.268 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.211 0.709 7.616 1.00 0.00 C ATOM 0 H THR A 109 -1.981 0.207 6.623 1.00 0.00 H new ATOM 0 HA THR A 109 -1.024 1.143 9.311 1.00 0.00 H new ATOM 0 HB THR A 109 0.541 2.673 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.738 2.554 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.134 1.072 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.406 0.401 8.643 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.840 -0.143 7.047 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.932 3.605 8.179 1.00 0.00 N ATOM 1685 CA ASP A 110 -2.980 4.649 8.006 1.00 0.00 C ATOM 1686 C ASP A 110 -3.842 4.306 6.790 1.00 0.00 C ATOM 1687 O ASP A 110 -3.450 3.528 5.944 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.210 5.950 7.774 1.00 0.00 C ATOM 1689 CG ASP A 110 -2.925 7.101 8.484 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -4.119 7.246 8.281 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -2.266 7.819 9.218 1.00 0.00 O ATOM 0 H ASP A 110 -0.997 3.956 8.387 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.646 4.726 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.191 5.854 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.138 6.156 6.706 1.00 0.00 H new ATOM 1696 N SER A 111 -5.014 4.870 6.693 1.00 0.00 N ATOM 1697 CA SER A 111 -5.894 4.560 5.528 1.00 0.00 C ATOM 1698 C SER A 111 -6.389 3.116 5.611 1.00 0.00 C ATOM 1699 O SER A 111 -7.576 2.855 5.634 1.00 0.00 O ATOM 1700 CB SER A 111 -5.013 4.752 4.292 1.00 0.00 C ATOM 1701 OG SER A 111 -4.140 5.855 4.500 1.00 0.00 O ATOM 0 H SER A 111 -5.401 5.530 7.367 1.00 0.00 H new ATOM 0 HA SER A 111 -6.776 5.200 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.435 3.848 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.634 4.926 3.413 1.00 0.00 H new ATOM 0 HG SER A 111 -3.574 5.978 3.709 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.489 2.176 5.655 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.903 0.748 5.735 1.00 0.00 C ATOM 1709 C GLY A 112 -4.714 -0.143 5.378 1.00 0.00 C ATOM 1710 O GLY A 112 -3.615 0.052 5.859 1.00 0.00 O ATOM 0 H GLY A 112 -4.482 2.335 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.258 0.516 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.732 0.559 5.053 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.919 -1.116 4.534 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.791 -2.011 4.148 1.00 0.00 C ATOM 1716 C VAL A 113 -3.322 -1.682 2.730 1.00 0.00 C ATOM 1717 O VAL A 113 -4.115 -1.506 1.826 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.357 -3.427 4.225 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.623 -3.799 5.686 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.667 -3.486 3.448 1.00 0.00 C ATOM 0 H VAL A 113 -5.815 -1.330 4.096 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.925 -1.893 4.800 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.639 -4.127 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.027 -4.810 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.691 -3.752 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.341 -3.100 6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.076 -4.495 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.379 -2.784 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.485 -3.221 2.406 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.036 -1.584 2.534 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.511 -1.250 1.179 1.00 0.00 C ATOM 1732 C HIS A 114 -0.503 -2.305 0.708 1.00 0.00 C ATOM 1733 O HIS A 114 -0.274 -3.303 1.361 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.803 0.096 1.358 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.665 1.039 2.150 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -2.039 2.282 1.663 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.204 0.951 3.409 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.769 2.887 2.617 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.901 2.120 3.702 1.00 0.00 N ATOM 0 H HIS A 114 -1.326 -1.721 3.253 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.306 -1.216 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.149 -0.051 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.579 0.529 0.383 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -1.804 2.667 0.748 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.103 0.104 4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.197 3.874 2.518 1.00 0.00 H new ATOM 1747 N ILE A 115 0.112 -2.067 -0.419 1.00 0.00 N ATOM 1748 CA ILE A 115 1.129 -3.019 -0.955 1.00 0.00 C ATOM 1749 C ILE A 115 2.251 -2.213 -1.612 1.00 0.00 C ATOM 1750 O ILE A 115 2.004 -1.388 -2.466 1.00 0.00 O ATOM 1751 CB ILE A 115 0.387 -3.871 -1.987 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.139 -3.048 -3.254 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.954 -4.323 -1.408 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.696 -3.868 -4.238 1.00 0.00 C ATOM 0 H ILE A 115 -0.049 -1.243 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 115 1.576 -3.647 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 115 0.992 -4.743 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.379 -2.122 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.088 -2.768 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.482 -4.930 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.781 -4.913 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.556 -3.449 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.873 -3.283 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.160 -4.781 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.651 -4.125 -3.779 1.00 0.00 H new ATOM 1766 N ILE A 116 3.473 -2.415 -1.205 1.00 0.00 N ATOM 1767 CA ILE A 116 4.589 -1.620 -1.797 1.00 0.00 C ATOM 1768 C ILE A 116 5.472 -2.474 -2.710 1.00 0.00 C ATOM 1769 O ILE A 116 5.539 -3.681 -2.586 1.00 0.00 O ATOM 1770 CB ILE A 116 5.390 -1.130 -0.592 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.550 -0.128 0.200 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.676 -0.451 -1.070 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.572 -0.506 1.682 1.00 0.00 C ATOM 0 H ILE A 116 3.748 -3.091 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 116 4.215 -0.807 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 116 5.645 -1.978 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.943 0.880 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.525 -0.123 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.245 -0.102 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.275 -1.164 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.425 0.398 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.973 0.207 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.159 -1.507 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.599 -0.488 2.047 1.00 0.00 H new ATOM 1785 N LYS A 117 6.160 -1.839 -3.621 1.00 0.00 N ATOM 1786 CA LYS A 117 7.061 -2.584 -4.547 1.00 0.00 C ATOM 1787 C LYS A 117 8.344 -1.780 -4.769 1.00 0.00 C ATOM 1788 O LYS A 117 8.308 -0.651 -5.219 1.00 0.00 O ATOM 1789 CB LYS A 117 6.276 -2.716 -5.851 1.00 0.00 C ATOM 1790 CG LYS A 117 6.054 -4.197 -6.165 1.00 0.00 C ATOM 1791 CD LYS A 117 5.165 -4.326 -7.404 1.00 0.00 C ATOM 1792 CE LYS A 117 5.713 -3.433 -8.519 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.934 -3.809 -9.732 1.00 0.00 N ATOM 0 H LYS A 117 6.136 -0.829 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 117 7.351 -3.559 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.318 -2.204 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.820 -2.238 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.010 -4.691 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 117 5.587 -4.694 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.134 -5.364 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.142 -4.038 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.584 -2.378 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.780 -3.598 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 5.321 -3.313 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.999 -4.836 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.938 -3.541 -9.602 1.00 0.00 H new ATOM 1807 N ARG A 118 9.476 -2.343 -4.447 1.00 0.00 N ATOM 1808 CA ARG A 118 10.755 -1.597 -4.631 1.00 0.00 C ATOM 1809 C ARG A 118 11.312 -1.813 -6.040 1.00 0.00 C ATOM 1810 O ARG A 118 10.615 -2.242 -6.938 1.00 0.00 O ATOM 1811 CB ARG A 118 11.705 -2.177 -3.585 1.00 0.00 C ATOM 1812 CG ARG A 118 12.533 -1.047 -2.971 1.00 0.00 C ATOM 1813 CD ARG A 118 14.017 -1.413 -3.027 1.00 0.00 C ATOM 1814 NE ARG A 118 14.702 -0.358 -2.231 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.238 -0.653 -1.080 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.492 -0.727 -0.012 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.520 -0.875 -0.996 1.00 0.00 N ATOM 0 H ARG A 118 9.572 -3.284 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 118 10.619 -0.522 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.139 -2.692 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.362 -2.916 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.356 -0.117 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.228 -0.878 -1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 118 14.196 -2.403 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 118 14.381 -1.432 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 118 14.752 0.597 -2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.489 -0.554 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.912 -0.958 0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 118 17.103 -0.818 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.940 -1.106 -0.095 1.00 0.00 H new ATOM 1831 N THR A 119 12.568 -1.513 -6.237 1.00 0.00 N ATOM 1832 CA THR A 119 13.180 -1.692 -7.584 1.00 0.00 C ATOM 1833 C THR A 119 12.769 -3.039 -8.184 1.00 0.00 C ATOM 1834 O THR A 119 12.758 -3.215 -9.386 1.00 0.00 O ATOM 1835 CB THR A 119 14.690 -1.648 -7.340 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.965 -0.787 -6.242 1.00 0.00 O ATOM 1837 CG2 THR A 119 15.399 -1.124 -8.590 1.00 0.00 C ATOM 0 H THR A 119 13.197 -1.151 -5.521 1.00 0.00 H new ATOM 0 HA THR A 119 12.857 -0.925 -8.288 1.00 0.00 H new ATOM 0 HB THR A 119 15.050 -2.652 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.932 -0.759 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 119 16.474 -1.094 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 119 15.188 -1.784 -9.431 1.00 0.00 H new ATOM 0 HG23 THR A 119 15.041 -0.120 -8.818 1.00 0.00 H new ATOM 1845 N ALA A 120 12.428 -3.991 -7.358 1.00 0.00 N ATOM 1846 CA ALA A 120 12.016 -5.323 -7.888 1.00 0.00 C ATOM 1847 C ALA A 120 11.089 -5.147 -9.093 1.00 0.00 C ATOM 1848 O ALA A 120 10.064 -4.503 -8.937 1.00 0.00 O ATOM 1849 CB ALA A 120 11.271 -5.998 -6.735 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.419 -5.659 -10.150 1.00 0.00 O ATOM 0 H ALA A 120 12.417 -3.905 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 120 12.868 -5.914 -8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.935 -6.987 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.938 -6.096 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.408 -5.393 -6.456 1.00 0.00 H new