USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 890 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 117 TYR OH : rot -39:sc= 0.515 USER MOD Set 1.2: A 119 CYS SG : rot 65:sc= -1.61! USER MOD Set 1.3: A 120 ASN : amide:sc= -5.24! K(o=-6.3!,f=-3.4) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -1.57 K(o=-2.6,f=-4.9!) USER MOD Set 2.2: A 55 GLN : amide:sc= -1.02 K(o=-2.6,f=-0.97) USER MOD Set 3.1: A 40 ASN : amide:sc= -0.192 K(o=-0.36,f=-1.6!) USER MOD Set 3.2: A 51 THR OG1 : rot -89:sc= -0.165 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.8) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.53) USER MOD Single : A 32 GLN : amide:sc= -0.877 K(o=-0.88,f=-3.9!) USER MOD Single : A 37 CYS SG : rot -122:sc= -0.802 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.244 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.108 (180deg=-0.591) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.0694 (180deg=-0.35) USER MOD Single : A 56 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.1!) USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0.897) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -158:sc= -0.0737 (180deg=-0.473) USER MOD Single : A 68 THR OG1 : rot 160:sc= 0.00861 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -150:sc= -4.59! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 160:sc= 0.282 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 46:sc= 0.284 USER MOD Single : A 111 MET CE :methyl 131:sc= -0.593 (180deg=-1.88) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0111 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 39:sc= 1.13 USER MOD Single : A 128 ASN : amide:sc= -4.09! C(o=-4.1!,f=-2.7!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -6.15! C(o=-6.2!,f=-8.4!) USER MOD Single : A 133 TYR OH : rot 150:sc= -0.755 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.042 12.533 -13.134 1.00 0.00 N ATOM 118 CA SER A 12 -0.162 11.313 -12.345 1.00 0.00 C ATOM 119 C SER A 12 0.771 11.351 -11.139 1.00 0.00 C ATOM 120 O SER A 12 1.673 12.186 -11.063 1.00 0.00 O ATOM 121 CB SER A 12 0.152 10.089 -13.208 1.00 0.00 C ATOM 122 OG SER A 12 -0.907 9.816 -14.109 1.00 0.00 O ATOM 0 HA SER A 12 -1.189 11.242 -11.986 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.073 10.260 -13.765 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.322 9.223 -12.568 1.00 0.00 H new ATOM 0 HG SER A 12 -0.682 9.031 -14.650 1.00 0.00 H new ATOM 128 N PHE A 13 0.548 10.441 -10.197 1.00 0.00 N ATOM 129 CA PHE A 13 1.368 10.370 -8.993 1.00 0.00 C ATOM 130 C PHE A 13 2.208 9.096 -8.981 1.00 0.00 C ATOM 131 O PHE A 13 1.974 8.177 -9.766 1.00 0.00 O ATOM 132 CB PHE A 13 0.484 10.424 -7.745 1.00 0.00 C ATOM 133 CG PHE A 13 -0.060 11.793 -7.454 1.00 0.00 C ATOM 134 CD1 PHE A 13 -0.835 12.459 -8.390 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.203 12.415 -6.244 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.336 13.719 -8.125 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.295 13.675 -5.973 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.067 14.328 -6.914 1.00 0.00 C ATOM 0 H PHE A 13 -0.194 9.742 -10.244 1.00 0.00 H new ATOM 0 HA PHE A 13 2.041 11.227 -8.991 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.348 9.730 -7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.061 10.081 -6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.050 11.988 -9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.805 11.909 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.937 14.228 -8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.081 14.149 -5.026 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.459 15.312 -6.704 1.00 0.00 H new ATOM 148 N VAL A 14 3.187 9.049 -8.083 1.00 0.00 N ATOM 149 CA VAL A 14 4.062 7.888 -7.967 1.00 0.00 C ATOM 150 C VAL A 14 4.193 7.441 -6.516 1.00 0.00 C ATOM 151 O VAL A 14 3.553 7.998 -5.623 1.00 0.00 O ATOM 152 CB VAL A 14 5.465 8.185 -8.530 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.388 8.508 -10.014 1.00 0.00 C ATOM 154 CG2 VAL A 14 6.117 9.324 -7.761 1.00 0.00 C ATOM 0 H VAL A 14 3.394 9.801 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 14 3.606 7.088 -8.550 1.00 0.00 H new ATOM 0 HB VAL A 14 6.082 7.295 -8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.389 8.715 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.965 7.658 -10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.755 9.383 -10.164 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.107 9.520 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.503 10.221 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.208 9.048 -6.710 1.00 0.00 H new ATOM 164 N LEU A 15 5.026 6.432 -6.286 1.00 0.00 N ATOM 165 CA LEU A 15 5.241 5.909 -4.941 1.00 0.00 C ATOM 166 C LEU A 15 6.649 6.234 -4.450 1.00 0.00 C ATOM 167 O LEU A 15 7.622 6.102 -5.193 1.00 0.00 O ATOM 168 CB LEU A 15 5.018 4.396 -4.919 1.00 0.00 C ATOM 169 CG LEU A 15 3.698 3.904 -5.515 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.849 2.488 -6.049 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.587 3.969 -4.478 1.00 0.00 C ATOM 0 H LEU A 15 5.563 5.960 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 15 4.523 6.385 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.837 3.920 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.076 4.055 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 15 3.431 4.557 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.900 2.154 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.615 2.471 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.140 1.822 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.656 3.615 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.847 3.340 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.462 4.999 -4.143 1.00 0.00 H new ATOM 183 N ASP A 16 6.749 6.656 -3.195 1.00 0.00 N ATOM 184 CA ASP A 16 8.037 6.996 -2.603 1.00 0.00 C ATOM 185 C ASP A 16 8.649 5.788 -1.900 1.00 0.00 C ATOM 186 O ASP A 16 9.393 5.932 -0.931 1.00 0.00 O ATOM 187 CB ASP A 16 7.879 8.151 -1.613 1.00 0.00 C ATOM 188 CG ASP A 16 9.129 9.003 -1.512 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.239 8.431 -1.526 1.00 0.00 O ATOM 190 OD2 ASP A 16 8.997 10.242 -1.418 1.00 0.00 O ATOM 0 H ASP A 16 5.953 6.771 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 16 8.707 7.304 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.041 8.776 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.635 7.751 -0.629 1.00 0.00 H new ATOM 195 N PHE A 17 8.328 4.597 -2.396 1.00 0.00 N ATOM 196 CA PHE A 17 8.844 3.364 -1.814 1.00 0.00 C ATOM 197 C PHE A 17 8.911 2.255 -2.861 1.00 0.00 C ATOM 198 O PHE A 17 8.153 2.257 -3.832 1.00 0.00 O ATOM 199 CB PHE A 17 7.966 2.921 -0.642 1.00 0.00 C ATOM 200 CG PHE A 17 6.511 2.798 -0.996 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.684 3.909 -0.978 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.971 1.571 -1.347 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.345 3.799 -1.302 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.633 1.455 -1.673 1.00 0.00 C ATOM 205 CZ PHE A 17 3.819 2.570 -1.651 1.00 0.00 C ATOM 0 H PHE A 17 7.714 4.460 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 17 9.853 3.558 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.324 1.960 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.074 3.636 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.090 4.872 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.603 0.695 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.711 4.673 -1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.224 0.493 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.773 2.482 -1.906 1.00 0.00 H new ATOM 215 N SER A 18 9.823 1.311 -2.657 1.00 0.00 N ATOM 216 CA SER A 18 9.993 0.199 -3.585 1.00 0.00 C ATOM 217 C SER A 18 9.023 -0.933 -3.259 1.00 0.00 C ATOM 218 O SER A 18 8.873 -1.322 -2.101 1.00 0.00 O ATOM 219 CB SER A 18 11.432 -0.318 -3.537 1.00 0.00 C ATOM 220 OG SER A 18 11.792 -0.702 -2.221 1.00 0.00 O ATOM 0 H SER A 18 10.456 1.293 -1.857 1.00 0.00 H new ATOM 0 HA SER A 18 9.778 0.561 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.539 -1.169 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.112 0.456 -3.892 1.00 0.00 H new ATOM 0 HG SER A 18 12.715 -1.030 -2.217 1.00 0.00 H new ATOM 226 N GLN A 19 8.367 -1.457 -4.290 1.00 0.00 N ATOM 227 CA GLN A 19 7.411 -2.544 -4.114 1.00 0.00 C ATOM 228 C GLN A 19 7.909 -3.544 -3.076 1.00 0.00 C ATOM 229 O GLN A 19 9.089 -3.894 -3.031 1.00 0.00 O ATOM 230 CB GLN A 19 7.163 -3.254 -5.446 1.00 0.00 C ATOM 231 CG GLN A 19 6.756 -2.314 -6.569 1.00 0.00 C ATOM 232 CD GLN A 19 5.686 -1.327 -6.145 1.00 0.00 C ATOM 233 OE1 GLN A 19 5.898 -0.114 -6.173 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.528 -1.842 -5.750 1.00 0.00 N ATOM 0 H GLN A 19 8.480 -1.147 -5.255 1.00 0.00 H new ATOM 0 HA GLN A 19 6.474 -2.116 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.068 -3.786 -5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.383 -4.003 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.633 -1.767 -6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.391 -2.899 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.396 -2.853 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.771 -1.226 -5.454 1.00 0.00 H new ATOM 243 N PRO A 20 6.991 -4.017 -2.220 1.00 0.00 N ATOM 244 CA PRO A 20 7.313 -4.984 -1.167 1.00 0.00 C ATOM 245 C PRO A 20 7.643 -6.363 -1.728 1.00 0.00 C ATOM 246 O PRO A 20 8.629 -6.985 -1.333 1.00 0.00 O ATOM 247 CB PRO A 20 6.032 -5.039 -0.331 1.00 0.00 C ATOM 248 CG PRO A 20 4.949 -4.638 -1.272 1.00 0.00 C ATOM 249 CD PRO A 20 5.566 -3.644 -2.216 1.00 0.00 C ATOM 0 HA PRO A 20 8.196 -4.689 -0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.861 -6.040 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.086 -4.362 0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.563 -5.502 -1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.109 -4.197 -0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.130 -3.712 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.420 -2.620 -1.873 1.00 0.00 H new ATOM 257 N SER A 21 6.811 -6.836 -2.651 1.00 0.00 N ATOM 258 CA SER A 21 7.013 -8.144 -3.263 1.00 0.00 C ATOM 259 C SER A 21 8.458 -8.312 -3.721 1.00 0.00 C ATOM 260 O SER A 21 9.040 -9.389 -3.593 1.00 0.00 O ATOM 261 CB SER A 21 6.065 -8.326 -4.451 1.00 0.00 C ATOM 262 OG SER A 21 6.456 -9.429 -5.250 1.00 0.00 O ATOM 0 H SER A 21 5.991 -6.333 -2.991 1.00 0.00 H new ATOM 0 HA SER A 21 6.797 -8.906 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.048 -8.477 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.057 -7.419 -5.056 1.00 0.00 H new ATOM 0 HG SER A 21 5.834 -9.525 -6.001 1.00 0.00 H new ATOM 268 N ALA A 22 9.032 -7.239 -4.256 1.00 0.00 N ATOM 269 CA ALA A 22 10.410 -7.266 -4.731 1.00 0.00 C ATOM 270 C ALA A 22 11.277 -8.157 -3.849 1.00 0.00 C ATOM 271 O ALA A 22 12.025 -8.999 -4.347 1.00 0.00 O ATOM 272 CB ALA A 22 10.978 -5.855 -4.782 1.00 0.00 C ATOM 0 H ALA A 22 8.564 -6.340 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 22 10.414 -7.683 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.008 -5.890 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.380 -5.246 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.954 -5.417 -3.784 1.00 0.00 H new ATOM 278 N ASP A 23 11.174 -7.965 -2.539 1.00 0.00 N ATOM 279 CA ASP A 23 11.949 -8.752 -1.587 1.00 0.00 C ATOM 280 C ASP A 23 11.116 -9.898 -1.023 1.00 0.00 C ATOM 281 O ASP A 23 10.309 -9.703 -0.113 1.00 0.00 O ATOM 282 CB ASP A 23 12.454 -7.863 -0.450 1.00 0.00 C ATOM 283 CG ASP A 23 13.503 -6.871 -0.912 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.581 -7.314 -1.361 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.246 -5.653 -0.825 1.00 0.00 O ATOM 0 H ASP A 23 10.561 -7.271 -2.112 1.00 0.00 H new ATOM 0 HA ASP A 23 12.804 -9.175 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.614 -7.322 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.872 -8.489 0.338 1.00 0.00 H new ATOM 290 N TYR A 24 11.315 -11.093 -1.568 1.00 0.00 N ATOM 291 CA TYR A 24 10.579 -12.269 -1.121 1.00 0.00 C ATOM 292 C TYR A 24 10.816 -12.529 0.363 1.00 0.00 C ATOM 293 O TYR A 24 9.898 -12.898 1.096 1.00 0.00 O ATOM 294 CB TYR A 24 10.992 -13.495 -1.938 1.00 0.00 C ATOM 295 CG TYR A 24 10.282 -14.765 -1.525 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.914 -14.914 -1.718 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.979 -15.815 -0.940 1.00 0.00 C ATOM 298 CE1 TYR A 24 8.261 -16.071 -1.342 1.00 0.00 C ATOM 299 CE2 TYR A 24 10.334 -16.977 -0.562 1.00 0.00 C ATOM 300 CZ TYR A 24 8.975 -17.100 -0.765 1.00 0.00 C ATOM 301 OH TYR A 24 8.329 -18.256 -0.388 1.00 0.00 O ATOM 0 H TYR A 24 11.980 -11.273 -2.320 1.00 0.00 H new ATOM 0 HA TYR A 24 9.516 -12.081 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.792 -13.303 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.068 -13.641 -1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.352 -14.111 -2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 24 12.043 -15.721 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.197 -16.170 -1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.891 -17.785 -0.110 1.00 0.00 H new ATOM 0 HH TYR A 24 8.976 -18.880 0.001 1.00 0.00 H new ATOM 311 N LEU A 25 12.056 -12.334 0.800 1.00 0.00 N ATOM 312 CA LEU A 25 12.416 -12.546 2.198 1.00 0.00 C ATOM 313 C LEU A 25 11.873 -11.424 3.077 1.00 0.00 C ATOM 314 O LEU A 25 11.054 -11.659 3.965 1.00 0.00 O ATOM 315 CB LEU A 25 13.936 -12.634 2.345 1.00 0.00 C ATOM 316 CG LEU A 25 14.549 -14.023 2.159 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.991 -14.995 3.187 1.00 0.00 C ATOM 318 CD2 LEU A 25 14.297 -14.533 0.748 1.00 0.00 C ATOM 0 H LEU A 25 12.828 -12.030 0.207 1.00 0.00 H new ATOM 0 HA LEU A 25 11.970 -13.486 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.391 -11.958 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.207 -12.269 3.336 1.00 0.00 H new ATOM 0 HG LEU A 25 15.626 -13.947 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.439 -15.978 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.224 -14.637 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.910 -15.067 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.740 -15.522 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.223 -14.594 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.747 -13.849 0.028 1.00 0.00 H new ATOM 330 N ASP A 26 12.332 -10.204 2.821 1.00 0.00 N ATOM 331 CA ASP A 26 11.890 -9.045 3.586 1.00 0.00 C ATOM 332 C ASP A 26 10.370 -8.917 3.550 1.00 0.00 C ATOM 333 O ASP A 26 9.779 -8.190 4.348 1.00 0.00 O ATOM 334 CB ASP A 26 12.534 -7.770 3.039 1.00 0.00 C ATOM 335 CG ASP A 26 12.301 -6.571 3.938 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.208 -6.762 5.169 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.212 -5.443 3.410 1.00 0.00 O ATOM 0 H ASP A 26 13.010 -9.992 2.089 1.00 0.00 H new ATOM 0 HA ASP A 26 12.201 -9.185 4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.606 -7.929 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.133 -7.560 2.048 1.00 0.00 H new ATOM 342 N PHE A 27 9.744 -9.628 2.618 1.00 0.00 N ATOM 343 CA PHE A 27 8.293 -9.593 2.477 1.00 0.00 C ATOM 344 C PHE A 27 7.636 -10.670 3.335 1.00 0.00 C ATOM 345 O PHE A 27 6.844 -10.370 4.228 1.00 0.00 O ATOM 346 CB PHE A 27 7.898 -9.782 1.011 1.00 0.00 C ATOM 347 CG PHE A 27 6.430 -10.036 0.814 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.899 -11.300 1.018 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.583 -9.012 0.424 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.549 -11.537 0.837 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.232 -9.243 0.242 1.00 0.00 C ATOM 352 CZ PHE A 27 3.715 -10.508 0.448 1.00 0.00 C ATOM 0 H PHE A 27 10.218 -10.235 1.950 1.00 0.00 H new ATOM 0 HA PHE A 27 7.943 -8.619 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.184 -8.893 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.462 -10.617 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.547 -12.109 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.982 -8.022 0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.147 -12.526 1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.581 -8.436 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.660 -10.691 0.305 1.00 0.00 H new ATOM 362 N ARG A 28 7.972 -11.926 3.058 1.00 0.00 N ATOM 363 CA ARG A 28 7.415 -13.048 3.803 1.00 0.00 C ATOM 364 C ARG A 28 7.578 -12.838 5.305 1.00 0.00 C ATOM 365 O ARG A 28 6.741 -13.270 6.097 1.00 0.00 O ATOM 366 CB ARG A 28 8.093 -14.354 3.382 1.00 0.00 C ATOM 367 CG ARG A 28 9.342 -14.677 4.185 1.00 0.00 C ATOM 368 CD ARG A 28 9.863 -16.070 3.867 1.00 0.00 C ATOM 369 NE ARG A 28 10.791 -16.553 4.886 1.00 0.00 N ATOM 370 CZ ARG A 28 10.405 -17.041 6.060 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.116 -17.112 6.360 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.310 -17.461 6.935 1.00 0.00 N ATOM 0 H ARG A 28 8.627 -12.192 2.323 1.00 0.00 H new ATOM 0 HA ARG A 28 6.351 -13.110 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.382 -15.173 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.356 -14.293 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.115 -13.940 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.120 -14.604 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.024 -16.761 3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.363 -16.058 2.898 1.00 0.00 H new ATOM 0 HE ARG A 28 11.790 -16.514 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.418 -16.792 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.822 -17.487 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.303 -17.409 6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.013 -17.835 7.836 1.00 0.00 H new ATOM 386 N ASN A 29 8.663 -12.173 5.690 1.00 0.00 N ATOM 387 CA ASN A 29 8.937 -11.907 7.097 1.00 0.00 C ATOM 388 C ASN A 29 7.764 -11.184 7.753 1.00 0.00 C ATOM 389 O ASN A 29 7.436 -11.436 8.912 1.00 0.00 O ATOM 390 CB ASN A 29 10.210 -11.072 7.242 1.00 0.00 C ATOM 391 CG ASN A 29 11.468 -11.914 7.148 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.654 -12.860 7.914 1.00 0.00 O ATOM 393 ND2 ASN A 29 12.340 -11.573 6.206 1.00 0.00 N ATOM 0 H ASN A 29 9.366 -11.809 5.047 1.00 0.00 H new ATOM 0 HA ASN A 29 9.079 -12.863 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.230 -10.307 6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.194 -10.554 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.205 -12.103 6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.145 -10.781 5.593 1.00 0.00 H new ATOM 400 N ARG A 30 7.136 -10.286 7.002 1.00 0.00 N ATOM 401 CA ARG A 30 6.000 -9.526 7.510 1.00 0.00 C ATOM 402 C ARG A 30 4.726 -10.365 7.477 1.00 0.00 C ATOM 403 O ARG A 30 3.877 -10.259 8.363 1.00 0.00 O ATOM 404 CB ARG A 30 5.805 -8.250 6.688 1.00 0.00 C ATOM 405 CG ARG A 30 7.106 -7.550 6.332 1.00 0.00 C ATOM 406 CD ARG A 30 7.803 -7.006 7.569 1.00 0.00 C ATOM 407 NE ARG A 30 7.003 -5.990 8.247 1.00 0.00 N ATOM 408 CZ ARG A 30 7.515 -5.072 9.058 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.820 -5.041 9.290 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.721 -4.180 9.638 1.00 0.00 N ATOM 0 H ARG A 30 7.394 -10.067 6.040 1.00 0.00 H new ATOM 0 HA ARG A 30 6.209 -9.255 8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.272 -8.497 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.173 -7.561 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.767 -8.248 5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.903 -6.734 5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.009 -7.825 8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.765 -6.579 7.285 1.00 0.00 H new ATOM 0 HE ARG A 30 5.995 -5.985 8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.433 -5.724 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.210 -4.335 9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.717 -4.200 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.115 -3.475 10.261 1.00 0.00 H new ATOM 424 N LEU A 31 4.599 -11.198 6.450 1.00 0.00 N ATOM 425 CA LEU A 31 3.428 -12.055 6.301 1.00 0.00 C ATOM 426 C LEU A 31 3.501 -13.246 7.251 1.00 0.00 C ATOM 427 O LEU A 31 2.528 -13.982 7.414 1.00 0.00 O ATOM 428 CB LEU A 31 3.313 -12.547 4.857 1.00 0.00 C ATOM 429 CG LEU A 31 2.014 -13.270 4.496 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.887 -12.271 4.287 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.208 -14.126 3.253 1.00 0.00 C ATOM 0 H LEU A 31 5.292 -11.298 5.708 1.00 0.00 H new ATOM 0 HA LEU A 31 2.544 -11.468 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.426 -11.690 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.147 -13.219 4.655 1.00 0.00 H new ATOM 0 HG LEU A 31 1.743 -13.924 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.029 -12.804 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.731 -11.701 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.149 -11.591 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.274 -14.633 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.504 -13.492 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.985 -14.867 3.439 1.00 0.00 H new ATOM 443 N GLN A 32 4.659 -13.427 7.878 1.00 0.00 N ATOM 444 CA GLN A 32 4.857 -14.527 8.814 1.00 0.00 C ATOM 445 C GLN A 32 4.871 -14.022 10.253 1.00 0.00 C ATOM 446 O GLN A 32 4.530 -14.755 11.181 1.00 0.00 O ATOM 447 CB GLN A 32 6.165 -15.258 8.505 1.00 0.00 C ATOM 448 CG GLN A 32 6.532 -16.311 9.538 1.00 0.00 C ATOM 449 CD GLN A 32 7.980 -16.750 9.435 1.00 0.00 C ATOM 450 OE1 GLN A 32 8.813 -16.050 8.858 1.00 0.00 O ATOM 451 NE2 GLN A 32 8.287 -17.914 9.995 1.00 0.00 N ATOM 0 H GLN A 32 5.474 -12.826 7.755 1.00 0.00 H new ATOM 0 HA GLN A 32 4.025 -15.222 8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.084 -15.733 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.972 -14.529 8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.346 -15.915 10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.884 -17.178 9.413 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.564 -18.461 10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.245 -18.261 9.957 1.00 0.00 H new ATOM 460 N ALA A 33 5.267 -12.766 10.430 1.00 0.00 N ATOM 461 CA ALA A 33 5.323 -12.163 11.756 1.00 0.00 C ATOM 462 C ALA A 33 4.078 -11.327 12.032 1.00 0.00 C ATOM 463 O ALA A 33 3.683 -11.147 13.184 1.00 0.00 O ATOM 464 CB ALA A 33 6.575 -11.310 11.895 1.00 0.00 C ATOM 0 H ALA A 33 5.554 -12.146 9.672 1.00 0.00 H new ATOM 0 HA ALA A 33 5.360 -12.966 12.492 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.604 -10.866 12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.458 -11.933 11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.562 -10.519 11.145 1.00 0.00 H new ATOM 470 N ASP A 34 3.465 -10.819 10.969 1.00 0.00 N ATOM 471 CA ASP A 34 2.264 -10.001 11.097 1.00 0.00 C ATOM 472 C ASP A 34 1.067 -10.688 10.446 1.00 0.00 C ATOM 473 O ASP A 34 -0.073 -10.249 10.600 1.00 0.00 O ATOM 474 CB ASP A 34 2.486 -8.627 10.463 1.00 0.00 C ATOM 475 CG ASP A 34 1.662 -7.543 11.128 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.781 -7.377 12.360 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.898 -6.859 10.416 1.00 0.00 O ATOM 0 H ASP A 34 3.780 -10.959 10.009 1.00 0.00 H new ATOM 0 HA ASP A 34 2.054 -9.872 12.159 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.543 -8.367 10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.233 -8.674 9.404 1.00 0.00 H new ATOM 482 N HIS A 35 1.335 -11.767 9.717 1.00 0.00 N ATOM 483 CA HIS A 35 0.280 -12.515 9.042 1.00 0.00 C ATOM 484 C HIS A 35 -0.439 -11.638 8.021 1.00 0.00 C ATOM 485 O HIS A 35 -1.630 -11.814 7.766 1.00 0.00 O ATOM 486 CB HIS A 35 -0.722 -13.058 10.061 1.00 0.00 C ATOM 487 CG HIS A 35 -0.079 -13.761 11.217 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.426 -15.042 11.132 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.141 -13.355 12.489 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.927 -15.393 12.302 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.767 -14.387 13.143 1.00 0.00 N ATOM 0 H HIS A 35 2.273 -12.143 9.579 1.00 0.00 H new ATOM 0 HA HIS A 35 0.741 -13.351 8.516 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.327 -12.233 10.439 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.401 -13.747 9.559 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.126 -12.397 12.911 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.389 -16.342 12.532 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.061 -14.378 14.120 1.00 0.00 H new ATOM 499 N VAL A 36 0.293 -10.692 7.441 1.00 0.00 N ATOM 500 CA VAL A 36 -0.275 -9.788 6.448 1.00 0.00 C ATOM 501 C VAL A 36 0.803 -8.903 5.830 1.00 0.00 C ATOM 502 O VAL A 36 1.713 -8.443 6.521 1.00 0.00 O ATOM 503 CB VAL A 36 -1.368 -8.894 7.062 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.780 -7.997 8.141 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.049 -8.067 5.982 1.00 0.00 C ATOM 0 H VAL A 36 1.280 -10.532 7.642 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.720 -10.410 5.671 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.119 -9.534 7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.567 -7.372 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.343 -8.612 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.008 -7.363 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.819 -7.441 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.311 -7.435 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.506 -8.732 5.249 1.00 0.00 H new ATOM 515 N CYS A 37 0.693 -8.669 4.528 1.00 0.00 N ATOM 516 CA CYS A 37 1.659 -7.839 3.816 1.00 0.00 C ATOM 517 C CYS A 37 1.169 -7.521 2.408 1.00 0.00 C ATOM 518 O CYS A 37 0.646 -8.390 1.709 1.00 0.00 O ATOM 519 CB CYS A 37 3.016 -8.541 3.751 1.00 0.00 C ATOM 520 SG CYS A 37 4.418 -7.420 3.534 1.00 0.00 S ATOM 0 H CYS A 37 -0.055 -9.042 3.943 1.00 0.00 H new ATOM 0 HA CYS A 37 1.769 -6.902 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.161 -9.114 4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.005 -9.255 2.927 1.00 0.00 H new ATOM 0 HG CYS A 37 5.069 -7.743 2.456 1.00 0.00 H new ATOM 526 N LEU A 38 1.339 -6.269 1.996 1.00 0.00 N ATOM 527 CA LEU A 38 0.912 -5.834 0.671 1.00 0.00 C ATOM 528 C LEU A 38 1.820 -6.413 -0.410 1.00 0.00 C ATOM 529 O LEU A 38 3.041 -6.275 -0.347 1.00 0.00 O ATOM 530 CB LEU A 38 0.912 -4.307 0.589 1.00 0.00 C ATOM 531 CG LEU A 38 0.828 -3.710 -0.816 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.623 -3.501 -1.222 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.597 -2.399 -0.886 1.00 0.00 C ATOM 0 H LEU A 38 1.770 -5.537 2.561 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.101 -6.200 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.071 -3.932 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.820 -3.938 1.065 1.00 0.00 H new ATOM 0 HG LEU A 38 1.282 -4.412 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.663 -3.075 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.145 -4.458 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.103 -2.820 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.526 -1.989 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.173 -1.690 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.644 -2.578 -0.640 1.00 0.00 H new ATOM 545 N GLU A 39 1.213 -7.059 -1.401 1.00 0.00 N ATOM 546 CA GLU A 39 1.968 -7.656 -2.497 1.00 0.00 C ATOM 547 C GLU A 39 2.466 -6.585 -3.463 1.00 0.00 C ATOM 548 O GLU A 39 3.669 -6.374 -3.606 1.00 0.00 O ATOM 549 CB GLU A 39 1.103 -8.672 -3.246 1.00 0.00 C ATOM 550 CG GLU A 39 1.800 -9.302 -4.440 1.00 0.00 C ATOM 551 CD GLU A 39 0.990 -10.421 -5.066 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.655 -11.385 -4.347 1.00 0.00 O ATOM 553 OE2 GLU A 39 0.692 -10.331 -6.275 1.00 0.00 O ATOM 0 H GLU A 39 0.203 -7.182 -1.467 1.00 0.00 H new ATOM 0 HA GLU A 39 2.832 -8.167 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.802 -9.459 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.192 -8.180 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.992 -8.535 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.769 -9.691 -4.126 1.00 0.00 H new ATOM 560 N ASN A 40 1.530 -5.912 -4.124 1.00 0.00 N ATOM 561 CA ASN A 40 1.872 -4.863 -5.078 1.00 0.00 C ATOM 562 C ASN A 40 0.784 -3.795 -5.126 1.00 0.00 C ATOM 563 O ASN A 40 -0.405 -4.100 -5.028 1.00 0.00 O ATOM 564 CB ASN A 40 2.079 -5.460 -6.472 1.00 0.00 C ATOM 565 CG ASN A 40 0.784 -5.955 -7.086 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.395 -7.108 -6.897 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.108 -5.084 -7.826 1.00 0.00 N ATOM 0 H ASN A 40 0.529 -6.074 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 40 2.800 -4.396 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.523 -4.708 -7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.787 -6.286 -6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.771 -5.361 -8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.467 -4.138 -7.956 1.00 0.00 H new ATOM 574 N CYS A 41 1.199 -2.542 -5.277 1.00 0.00 N ATOM 575 CA CYS A 41 0.261 -1.428 -5.338 1.00 0.00 C ATOM 576 C CYS A 41 0.574 -0.516 -6.521 1.00 0.00 C ATOM 577 O CYS A 41 1.543 0.242 -6.493 1.00 0.00 O ATOM 578 CB CYS A 41 0.303 -0.626 -4.036 1.00 0.00 C ATOM 579 SG CYS A 41 -0.978 0.644 -3.909 1.00 0.00 S ATOM 0 H CYS A 41 2.179 -2.273 -5.359 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.740 -1.837 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.203 -1.313 -3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.280 -0.151 -3.946 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.861 1.266 -2.773 1.00 0.00 H new ATOM 585 N VAL A 42 -0.251 -0.598 -7.559 1.00 0.00 N ATOM 586 CA VAL A 42 -0.062 0.218 -8.752 1.00 0.00 C ATOM 587 C VAL A 42 -0.836 1.528 -8.650 1.00 0.00 C ATOM 588 O VAL A 42 -1.726 1.673 -7.811 1.00 0.00 O ATOM 589 CB VAL A 42 -0.508 -0.531 -10.022 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.206 -1.869 -10.131 1.00 0.00 C ATOM 591 CG2 VAL A 42 -2.018 -0.721 -10.025 1.00 0.00 C ATOM 0 H VAL A 42 -1.057 -1.222 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 42 1.004 0.433 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.238 0.069 -10.891 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.122 -2.384 -11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.282 -1.704 -10.178 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.030 -2.480 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.316 -1.252 -10.929 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.314 -1.300 -9.150 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.507 0.253 -9.998 1.00 0.00 H new ATOM 601 N LEU A 43 -0.491 2.481 -9.509 1.00 0.00 N ATOM 602 CA LEU A 43 -1.154 3.780 -9.517 1.00 0.00 C ATOM 603 C LEU A 43 -1.846 4.030 -10.853 1.00 0.00 C ATOM 604 O LEU A 43 -1.307 3.714 -11.913 1.00 0.00 O ATOM 605 CB LEU A 43 -0.141 4.893 -9.239 1.00 0.00 C ATOM 606 CG LEU A 43 -0.685 6.133 -8.530 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.398 6.780 -7.680 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.237 7.127 -9.541 1.00 0.00 C ATOM 0 H LEU A 43 0.244 2.378 -10.209 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.910 3.779 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.667 4.479 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.297 5.204 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.498 5.825 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.008 7.661 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.746 6.069 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.233 7.074 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.620 8.003 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.443 7.430 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.044 6.661 -10.106 1.00 0.00 H new ATOM 620 N LYS A 44 -3.044 4.603 -10.794 1.00 0.00 N ATOM 621 CA LYS A 44 -3.811 4.899 -11.998 1.00 0.00 C ATOM 622 C LYS A 44 -4.388 6.310 -11.942 1.00 0.00 C ATOM 623 O LYS A 44 -4.172 7.041 -10.975 1.00 0.00 O ATOM 624 CB LYS A 44 -4.940 3.882 -12.173 1.00 0.00 C ATOM 625 CG LYS A 44 -4.457 2.443 -12.246 1.00 0.00 C ATOM 626 CD LYS A 44 -5.494 1.478 -11.695 1.00 0.00 C ATOM 627 CE LYS A 44 -6.597 1.209 -12.707 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.076 0.542 -13.932 1.00 0.00 N ATOM 0 H LYS A 44 -3.505 4.872 -9.924 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.137 4.834 -12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.638 3.980 -11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.492 4.118 -13.083 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.233 2.186 -13.281 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.529 2.341 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.011 0.539 -11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.927 1.889 -10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.363 0.583 -12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.075 2.149 -12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.846 0.021 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.700 1.259 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.318 -0.120 -13.671 1.00 0.00 H new ATOM 642 N ASP A 45 -5.122 6.686 -12.984 1.00 0.00 N ATOM 643 CA ASP A 45 -5.732 8.009 -13.051 1.00 0.00 C ATOM 644 C ASP A 45 -6.631 8.255 -11.843 1.00 0.00 C ATOM 645 O ASP A 45 -7.611 7.542 -11.628 1.00 0.00 O ATOM 646 CB ASP A 45 -6.540 8.156 -14.342 1.00 0.00 C ATOM 647 CG ASP A 45 -5.941 7.372 -15.493 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.998 7.884 -16.131 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.415 6.247 -15.755 1.00 0.00 O ATOM 0 H ASP A 45 -5.309 6.094 -13.793 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.934 8.751 -13.044 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.561 7.817 -14.168 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.596 9.210 -14.614 1.00 0.00 H new ATOM 654 N LYS A 46 -6.289 9.270 -11.056 1.00 0.00 N ATOM 655 CA LYS A 46 -7.064 9.612 -9.869 1.00 0.00 C ATOM 656 C LYS A 46 -7.592 8.356 -9.183 1.00 0.00 C ATOM 657 O LYS A 46 -8.711 8.341 -8.671 1.00 0.00 O ATOM 658 CB LYS A 46 -8.229 10.530 -10.242 1.00 0.00 C ATOM 659 CG LYS A 46 -7.799 11.937 -10.619 1.00 0.00 C ATOM 660 CD LYS A 46 -7.507 12.052 -12.106 1.00 0.00 C ATOM 661 CE LYS A 46 -8.786 12.208 -12.915 1.00 0.00 C ATOM 662 NZ LYS A 46 -8.653 11.631 -14.281 1.00 0.00 N ATOM 0 H LYS A 46 -5.480 9.870 -11.219 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.406 10.134 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.774 10.090 -11.077 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.921 10.584 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.583 12.643 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.910 12.211 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.856 12.907 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.969 11.166 -12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.608 11.718 -12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.041 13.265 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.545 11.758 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.886 12.115 -14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.435 10.617 -14.210 1.00 0.00 H new ATOM 676 N ALA A 47 -6.779 7.305 -9.176 1.00 0.00 N ATOM 677 CA ALA A 47 -7.163 6.046 -8.550 1.00 0.00 C ATOM 678 C ALA A 47 -5.954 5.138 -8.354 1.00 0.00 C ATOM 679 O ALA A 47 -4.937 5.289 -9.032 1.00 0.00 O ATOM 680 CB ALA A 47 -8.223 5.343 -9.385 1.00 0.00 C ATOM 0 H ALA A 47 -5.850 7.301 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.579 6.270 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.500 4.404 -8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.103 5.981 -9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.827 5.139 -10.380 1.00 0.00 H new ATOM 686 N ILE A 48 -6.071 4.196 -7.424 1.00 0.00 N ATOM 687 CA ILE A 48 -4.986 3.264 -7.141 1.00 0.00 C ATOM 688 C ILE A 48 -5.496 1.828 -7.089 1.00 0.00 C ATOM 689 O ILE A 48 -6.702 1.586 -7.099 1.00 0.00 O ATOM 690 CB ILE A 48 -4.290 3.599 -5.808 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.138 3.116 -4.630 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.034 5.095 -5.706 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.513 3.396 -3.281 1.00 0.00 C ATOM 0 H ILE A 48 -6.906 4.058 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.265 3.362 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.330 3.083 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.115 3.596 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.305 2.043 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.542 5.316 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.394 5.412 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.982 5.631 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.169 3.027 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.548 2.893 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.371 4.470 -3.162 1.00 0.00 H new ATOM 705 N ALA A 49 -4.567 0.879 -7.031 1.00 0.00 N ATOM 706 CA ALA A 49 -4.922 -0.534 -6.974 1.00 0.00 C ATOM 707 C ALA A 49 -3.784 -1.362 -6.386 1.00 0.00 C ATOM 708 O ALA A 49 -2.615 -1.139 -6.698 1.00 0.00 O ATOM 709 CB ALA A 49 -5.287 -1.044 -8.360 1.00 0.00 C ATOM 0 H ALA A 49 -3.564 1.063 -7.022 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.789 -0.639 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.550 -2.100 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.137 -0.479 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.436 -0.918 -9.030 1.00 0.00 H new ATOM 715 N GLY A 50 -4.134 -2.319 -5.532 1.00 0.00 N ATOM 716 CA GLY A 50 -3.130 -3.166 -4.914 1.00 0.00 C ATOM 717 C GLY A 50 -3.727 -4.411 -4.288 1.00 0.00 C ATOM 718 O GLY A 50 -4.893 -4.418 -3.891 1.00 0.00 O ATOM 0 H GLY A 50 -5.095 -2.523 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.394 -3.457 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.600 -2.597 -4.150 1.00 0.00 H new ATOM 722 N THR A 51 -2.927 -5.469 -4.200 1.00 0.00 N ATOM 723 CA THR A 51 -3.383 -6.726 -3.621 1.00 0.00 C ATOM 724 C THR A 51 -2.624 -7.049 -2.340 1.00 0.00 C ATOM 725 O THR A 51 -1.394 -7.016 -2.310 1.00 0.00 O ATOM 726 CB THR A 51 -3.216 -7.894 -4.612 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.832 -8.068 -4.934 1.00 0.00 O ATOM 728 CG2 THR A 51 -4.011 -7.642 -5.884 1.00 0.00 C ATOM 0 H THR A 51 -1.959 -5.480 -4.523 1.00 0.00 H new ATOM 0 HA THR A 51 -4.441 -6.602 -3.391 1.00 0.00 H new ATOM 0 HB THR A 51 -3.595 -8.800 -4.140 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.602 -7.506 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.878 -8.480 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.068 -7.539 -5.638 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.658 -6.726 -6.358 1.00 0.00 H new ATOM 736 N VAL A 52 -3.365 -7.361 -1.281 1.00 0.00 N ATOM 737 CA VAL A 52 -2.761 -7.692 0.004 1.00 0.00 C ATOM 738 C VAL A 52 -2.807 -9.194 0.263 1.00 0.00 C ATOM 739 O VAL A 52 -3.760 -9.872 -0.122 1.00 0.00 O ATOM 740 CB VAL A 52 -3.467 -6.961 1.161 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.869 -7.373 2.498 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.380 -5.454 0.970 1.00 0.00 C ATOM 0 H VAL A 52 -4.385 -7.391 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.722 -7.366 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.519 -7.245 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.381 -6.846 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.988 -8.448 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.809 -7.121 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.884 -4.953 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.333 -5.150 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.860 -5.178 0.031 1.00 0.00 H new ATOM 752 N LYS A 53 -1.772 -9.708 0.918 1.00 0.00 N ATOM 753 CA LYS A 53 -1.694 -11.130 1.231 1.00 0.00 C ATOM 754 C LYS A 53 -2.023 -11.383 2.699 1.00 0.00 C ATOM 755 O LYS A 53 -1.817 -10.517 3.549 1.00 0.00 O ATOM 756 CB LYS A 53 -0.297 -11.668 0.910 1.00 0.00 C ATOM 757 CG LYS A 53 -0.116 -12.060 -0.546 1.00 0.00 C ATOM 758 CD LYS A 53 -1.019 -13.222 -0.927 1.00 0.00 C ATOM 759 CE LYS A 53 -0.670 -13.771 -2.302 1.00 0.00 C ATOM 760 NZ LYS A 53 0.684 -14.390 -2.325 1.00 0.00 N ATOM 0 H LYS A 53 -0.975 -9.161 1.243 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.428 -11.652 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.443 -10.911 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.098 -12.536 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.334 -11.204 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.924 -12.333 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.928 -14.014 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.059 -12.895 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.413 -14.512 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.714 -12.966 -3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.763 -15.022 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.406 -13.644 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.830 -14.937 -1.453 1.00 0.00 H new ATOM 774 N VAL A 54 -2.533 -12.575 2.989 1.00 0.00 N ATOM 775 CA VAL A 54 -2.888 -12.943 4.355 1.00 0.00 C ATOM 776 C VAL A 54 -2.676 -14.433 4.596 1.00 0.00 C ATOM 777 O VAL A 54 -2.766 -15.240 3.670 1.00 0.00 O ATOM 778 CB VAL A 54 -4.353 -12.586 4.670 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.548 -11.078 4.664 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.289 -13.257 3.676 1.00 0.00 C ATOM 0 H VAL A 54 -2.710 -13.303 2.297 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.233 -12.375 5.016 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.593 -12.955 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.589 -10.845 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.904 -10.625 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.291 -10.682 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.320 -12.994 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.051 -12.919 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.167 -14.339 3.735 1.00 0.00 H new ATOM 790 N GLN A 55 -2.394 -14.792 5.844 1.00 0.00 N ATOM 791 CA GLN A 55 -2.169 -16.186 6.206 1.00 0.00 C ATOM 792 C GLN A 55 -3.493 -16.921 6.389 1.00 0.00 C ATOM 793 O GLN A 55 -4.447 -16.373 6.939 1.00 0.00 O ATOM 794 CB GLN A 55 -1.341 -16.275 7.489 1.00 0.00 C ATOM 795 CG GLN A 55 0.157 -16.164 7.255 1.00 0.00 C ATOM 796 CD GLN A 55 0.966 -16.931 8.281 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.808 -18.143 8.434 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.840 -16.229 8.992 1.00 0.00 N ATOM 0 H GLN A 55 -2.316 -14.137 6.622 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.619 -16.662 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.654 -15.483 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.554 -17.223 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.394 -16.537 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.448 -15.114 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.939 -15.226 8.833 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.413 -16.692 9.697 1.00 0.00 H new ATOM 807 N ASN A 56 -3.542 -18.165 5.925 1.00 0.00 N ATOM 808 CA ASN A 56 -4.750 -18.976 6.037 1.00 0.00 C ATOM 809 C ASN A 56 -4.903 -19.532 7.450 1.00 0.00 C ATOM 810 O ASN A 56 -5.069 -20.737 7.639 1.00 0.00 O ATOM 811 CB ASN A 56 -4.715 -20.123 5.026 1.00 0.00 C ATOM 812 CG ASN A 56 -3.816 -21.260 5.473 1.00 0.00 C ATOM 813 OD1 ASN A 56 -4.292 -22.309 5.908 1.00 0.00 O ATOM 814 ND2 ASN A 56 -2.508 -21.056 5.368 1.00 0.00 N ATOM 0 H ASN A 56 -2.760 -18.634 5.468 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.607 -18.338 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.726 -20.501 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.368 -19.746 4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.854 -21.785 5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.158 -20.171 5.002 1.00 0.00 H new ATOM 821 N LEU A 57 -4.845 -18.646 8.438 1.00 0.00 N ATOM 822 CA LEU A 57 -4.978 -19.047 9.834 1.00 0.00 C ATOM 823 C LEU A 57 -6.389 -19.546 10.125 1.00 0.00 C ATOM 824 O LEU A 57 -6.575 -20.657 10.621 1.00 0.00 O ATOM 825 CB LEU A 57 -4.638 -17.875 10.756 1.00 0.00 C ATOM 826 CG LEU A 57 -3.304 -17.177 10.492 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.153 -15.956 11.386 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.146 -18.142 10.705 1.00 0.00 C ATOM 0 H LEU A 57 -4.707 -17.645 8.298 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.279 -19.862 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.434 -17.135 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.639 -18.236 11.784 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.289 -16.845 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.197 -15.473 11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.964 -15.256 11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.190 -16.263 12.431 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.204 -17.628 10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.159 -18.504 11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.245 -18.986 10.022 1.00 0.00 H new ATOM 840 N ALA A 58 -7.381 -18.718 9.812 1.00 0.00 N ATOM 841 CA ALA A 58 -8.775 -19.077 10.036 1.00 0.00 C ATOM 842 C ALA A 58 -9.585 -18.965 8.749 1.00 0.00 C ATOM 843 O ALA A 58 -9.061 -18.569 7.707 1.00 0.00 O ATOM 844 CB ALA A 58 -9.379 -18.196 11.120 1.00 0.00 C ATOM 0 H ALA A 58 -7.244 -17.794 9.402 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.808 -20.115 10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.421 -18.475 11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.824 -18.329 12.048 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.326 -17.152 10.812 1.00 0.00 H new ATOM 850 N PHE A 59 -10.864 -19.317 8.827 1.00 0.00 N ATOM 851 CA PHE A 59 -11.745 -19.258 7.667 1.00 0.00 C ATOM 852 C PHE A 59 -12.174 -17.821 7.382 1.00 0.00 C ATOM 853 O PHE A 59 -11.895 -17.280 6.313 1.00 0.00 O ATOM 854 CB PHE A 59 -12.979 -20.135 7.891 1.00 0.00 C ATOM 855 CG PHE A 59 -12.665 -21.459 8.529 1.00 0.00 C ATOM 856 CD1 PHE A 59 -11.851 -22.377 7.886 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.184 -21.784 9.772 1.00 0.00 C ATOM 858 CE1 PHE A 59 -11.561 -23.595 8.470 1.00 0.00 C ATOM 859 CE2 PHE A 59 -12.897 -23.001 10.362 1.00 0.00 C ATOM 860 CZ PHE A 59 -12.084 -23.907 9.710 1.00 0.00 C ATOM 0 H PHE A 59 -11.313 -19.646 9.682 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.193 -19.632 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.688 -19.597 8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.470 -20.309 6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.438 -22.138 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.820 -21.078 10.286 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.926 -24.303 7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.308 -23.243 11.331 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.857 -24.858 10.169 1.00 0.00 H new ATOM 870 N GLU A 60 -12.854 -17.211 8.348 1.00 0.00 N ATOM 871 CA GLU A 60 -13.322 -15.838 8.201 1.00 0.00 C ATOM 872 C GLU A 60 -12.148 -14.865 8.152 1.00 0.00 C ATOM 873 O GLU A 60 -11.258 -14.904 9.002 1.00 0.00 O ATOM 874 CB GLU A 60 -14.258 -15.468 9.354 1.00 0.00 C ATOM 875 CG GLU A 60 -15.520 -16.312 9.408 1.00 0.00 C ATOM 876 CD GLU A 60 -16.634 -15.646 10.192 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.351 -14.807 9.608 1.00 0.00 O ATOM 878 OE2 GLU A 60 -16.789 -15.965 11.390 1.00 0.00 O ATOM 0 H GLU A 60 -13.093 -17.645 9.239 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.870 -15.767 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.720 -15.574 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.537 -14.418 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.864 -16.510 8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.289 -17.276 9.860 1.00 0.00 H new ATOM 885 N LYS A 61 -12.153 -13.991 7.151 1.00 0.00 N ATOM 886 CA LYS A 61 -11.090 -13.006 6.989 1.00 0.00 C ATOM 887 C LYS A 61 -11.667 -11.631 6.667 1.00 0.00 C ATOM 888 O LYS A 61 -12.644 -11.514 5.927 1.00 0.00 O ATOM 889 CB LYS A 61 -10.129 -13.440 5.880 1.00 0.00 C ATOM 890 CG LYS A 61 -9.519 -14.813 6.107 1.00 0.00 C ATOM 891 CD LYS A 61 -8.561 -15.189 4.988 1.00 0.00 C ATOM 892 CE LYS A 61 -8.007 -16.593 5.177 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.949 -17.632 4.678 1.00 0.00 N ATOM 0 H LYS A 61 -12.882 -13.945 6.439 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.543 -12.940 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.662 -13.441 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.328 -12.705 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.990 -14.824 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.312 -15.558 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.077 -15.126 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.739 -14.474 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.056 -16.682 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.804 -16.764 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.665 -18.563 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.912 -17.411 5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.928 -17.649 3.638 1.00 0.00 H new ATOM 907 N THR A 62 -11.055 -10.592 7.227 1.00 0.00 N ATOM 908 CA THR A 62 -11.507 -9.225 6.999 1.00 0.00 C ATOM 909 C THR A 62 -10.351 -8.327 6.575 1.00 0.00 C ATOM 910 O THR A 62 -9.440 -8.059 7.359 1.00 0.00 O ATOM 911 CB THR A 62 -12.166 -8.634 8.260 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.280 -9.442 8.655 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.631 -7.208 8.010 1.00 0.00 C ATOM 0 H THR A 62 -10.245 -10.671 7.842 1.00 0.00 H new ATOM 0 HA THR A 62 -12.244 -9.265 6.197 1.00 0.00 H new ATOM 0 HB THR A 62 -11.425 -8.623 9.059 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.692 -9.061 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.093 -6.812 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.776 -6.589 7.738 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.358 -7.199 7.198 1.00 0.00 H new ATOM 921 N VAL A 63 -10.394 -7.863 5.330 1.00 0.00 N ATOM 922 CA VAL A 63 -9.350 -6.993 4.802 1.00 0.00 C ATOM 923 C VAL A 63 -9.914 -5.630 4.416 1.00 0.00 C ATOM 924 O VAL A 63 -10.796 -5.530 3.563 1.00 0.00 O ATOM 925 CB VAL A 63 -8.665 -7.619 3.573 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.528 -6.735 3.087 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.163 -9.018 3.899 1.00 0.00 C ATOM 0 H VAL A 63 -11.141 -8.075 4.668 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.612 -6.867 5.595 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.398 -7.699 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.056 -7.194 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.920 -5.756 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.791 -6.620 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.682 -9.446 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.444 -8.965 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.003 -9.646 4.195 1.00 0.00 H new ATOM 937 N LYS A 64 -9.399 -4.582 5.050 1.00 0.00 N ATOM 938 CA LYS A 64 -9.849 -3.223 4.773 1.00 0.00 C ATOM 939 C LYS A 64 -8.672 -2.253 4.753 1.00 0.00 C ATOM 940 O LYS A 64 -7.859 -2.231 5.678 1.00 0.00 O ATOM 941 CB LYS A 64 -10.872 -2.779 5.821 1.00 0.00 C ATOM 942 CG LYS A 64 -12.268 -3.326 5.579 1.00 0.00 C ATOM 943 CD LYS A 64 -13.143 -3.188 6.814 1.00 0.00 C ATOM 944 CE LYS A 64 -14.403 -4.032 6.701 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.456 -3.586 7.654 1.00 0.00 N ATOM 0 H LYS A 64 -8.669 -4.648 5.760 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.319 -3.216 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.532 -3.098 6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.915 -1.690 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.728 -2.796 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.204 -4.376 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.579 -3.490 7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.416 -2.142 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.788 -3.976 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.159 -5.077 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.299 -4.186 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.098 -3.663 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.708 -2.597 7.455 1.00 0.00 H new ATOM 959 N ILE A 65 -8.588 -1.453 3.695 1.00 0.00 N ATOM 960 CA ILE A 65 -7.511 -0.480 3.558 1.00 0.00 C ATOM 961 C ILE A 65 -7.884 0.848 4.208 1.00 0.00 C ATOM 962 O ILE A 65 -8.975 1.375 3.985 1.00 0.00 O ATOM 963 CB ILE A 65 -7.160 -0.235 2.079 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.685 -1.533 1.422 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.095 0.845 1.960 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.384 -2.056 1.989 1.00 0.00 C ATOM 0 H ILE A 65 -9.252 -1.459 2.921 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.641 -0.898 4.065 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.056 0.106 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.456 -2.294 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.564 -1.366 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.857 1.007 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.467 1.772 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.197 0.530 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.108 -2.978 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.600 -1.313 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.505 -2.255 3.054 1.00 0.00 H new ATOM 978 N ARG A 66 -6.971 1.385 5.010 1.00 0.00 N ATOM 979 CA ARG A 66 -7.204 2.653 5.692 1.00 0.00 C ATOM 980 C ARG A 66 -6.370 3.767 5.067 1.00 0.00 C ATOM 981 O ARG A 66 -5.148 3.795 5.209 1.00 0.00 O ATOM 982 CB ARG A 66 -6.872 2.525 7.180 1.00 0.00 C ATOM 983 CG ARG A 66 -6.998 3.831 7.947 1.00 0.00 C ATOM 984 CD ARG A 66 -6.931 3.604 9.449 1.00 0.00 C ATOM 985 NE ARG A 66 -6.392 4.763 10.154 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.960 4.724 11.410 1.00 0.00 C ATOM 987 NH1 ARG A 66 -6.003 3.589 12.094 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.483 5.821 11.983 1.00 0.00 N ATOM 0 H ARG A 66 -6.063 0.962 5.204 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.258 2.907 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.534 1.785 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.855 2.148 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.201 4.510 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.942 4.314 7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.929 3.382 9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.310 2.732 9.657 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.344 5.651 9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.368 2.743 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.671 3.562 13.058 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.448 6.696 11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.152 5.790 12.947 1.00 0.00 H new ATOM 1002 N MET A 67 -7.040 4.683 4.375 1.00 0.00 N ATOM 1003 CA MET A 67 -6.360 5.800 3.730 1.00 0.00 C ATOM 1004 C MET A 67 -6.873 7.133 4.267 1.00 0.00 C ATOM 1005 O MET A 67 -8.028 7.245 4.679 1.00 0.00 O ATOM 1006 CB MET A 67 -6.558 5.738 2.214 1.00 0.00 C ATOM 1007 CG MET A 67 -5.987 6.938 1.477 1.00 0.00 C ATOM 1008 SD MET A 67 -6.454 6.970 -0.265 1.00 0.00 S ATOM 1009 CE MET A 67 -5.053 6.135 -1.006 1.00 0.00 C ATOM 0 H MET A 67 -8.052 4.674 4.247 1.00 0.00 H new ATOM 0 HA MET A 67 -5.296 5.724 3.954 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.090 4.831 1.832 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.624 5.663 1.998 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.332 7.853 1.958 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.900 6.926 1.558 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.983 6.406 -2.059 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.139 6.434 -0.493 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.183 5.057 -0.917 1.00 0.00 H new ATOM 1019 N THR A 68 -6.007 8.141 4.260 1.00 0.00 N ATOM 1020 CA THR A 68 -6.371 9.465 4.748 1.00 0.00 C ATOM 1021 C THR A 68 -5.710 10.559 3.917 1.00 0.00 C ATOM 1022 O THR A 68 -4.667 10.339 3.300 1.00 0.00 O ATOM 1023 CB THR A 68 -5.976 9.648 6.225 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.489 10.890 6.720 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.464 9.617 6.388 1.00 0.00 C ATOM 0 H THR A 68 -5.048 8.066 3.921 1.00 0.00 H new ATOM 0 HA THR A 68 -7.454 9.548 4.657 1.00 0.00 H new ATOM 0 HB THR A 68 -6.405 8.825 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.523 10.863 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.209 9.748 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.080 8.659 6.038 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.018 10.422 5.803 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.321 11.739 3.907 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.790 12.868 3.151 1.00 0.00 C ATOM 1035 C PHE A 69 -5.622 14.091 4.047 1.00 0.00 C ATOM 1036 O PHE A 69 -5.368 15.196 3.567 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.715 13.204 1.979 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.165 11.997 1.206 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.256 11.244 0.480 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.497 11.617 1.203 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.667 10.133 -0.232 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.914 10.507 0.493 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.998 9.765 -0.226 1.00 0.00 C ATOM 0 H PHE A 69 -7.184 11.939 4.413 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.811 12.586 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.591 13.731 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.199 13.887 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.214 11.529 0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.218 12.195 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.948 9.553 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.955 10.220 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.322 8.898 -0.783 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.765 13.885 5.352 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.629 14.970 6.317 1.00 0.00 C ATOM 1055 C ASP A 70 -4.685 14.576 7.448 1.00 0.00 C ATOM 1056 O ASP A 70 -5.118 14.327 8.574 1.00 0.00 O ATOM 1057 CB ASP A 70 -6.997 15.351 6.886 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.901 15.983 5.846 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -7.453 16.931 5.168 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -9.057 15.530 5.710 1.00 0.00 O ATOM 0 H ASP A 70 -5.975 12.977 5.766 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.207 15.832 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.480 14.461 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.862 16.045 7.716 1.00 0.00 H new ATOM 1065 N THR A 71 -3.393 14.519 7.142 1.00 0.00 N ATOM 1066 CA THR A 71 -2.388 14.152 8.132 1.00 0.00 C ATOM 1067 C THR A 71 -2.942 13.141 9.129 1.00 0.00 C ATOM 1068 O THR A 71 -2.783 13.298 10.339 1.00 0.00 O ATOM 1069 CB THR A 71 -1.879 15.387 8.900 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.565 16.440 7.981 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.648 15.042 9.724 1.00 0.00 C ATOM 0 H THR A 71 -3.018 14.722 6.216 1.00 0.00 H new ATOM 0 HA THR A 71 -1.557 13.704 7.588 1.00 0.00 H new ATOM 0 HB THR A 71 -2.668 15.718 9.576 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.244 17.222 8.477 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.307 15.929 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.898 14.261 10.442 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.144 14.688 9.064 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.591 12.103 8.613 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.168 11.065 9.459 1.00 0.00 C ATOM 1081 C TRP A 72 -5.210 11.651 10.405 1.00 0.00 C ATOM 1082 O TRP A 72 -5.164 11.424 11.614 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.070 10.364 10.261 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.178 9.502 9.420 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.961 9.843 8.901 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.433 8.158 8.999 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.445 8.792 8.182 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.329 7.746 8.228 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.486 7.261 9.200 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.250 6.477 7.659 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.407 6.003 8.634 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.295 5.620 7.872 1.00 0.00 C ATOM 0 H TRP A 72 -3.731 11.958 7.613 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.659 10.336 8.814 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.464 11.115 10.768 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.531 9.751 11.035 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.476 10.798 9.036 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.450 8.791 7.693 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.346 7.546 9.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.394 6.180 7.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.216 5.303 8.781 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.262 4.629 7.444 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.151 12.405 9.847 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.207 13.023 10.641 1.00 0.00 C ATOM 1105 C LYS A 73 -8.581 12.531 10.195 1.00 0.00 C ATOM 1106 O LYS A 73 -9.469 12.311 11.018 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.136 14.547 10.524 1.00 0.00 C ATOM 1108 CG LYS A 73 -5.956 15.159 11.257 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.272 16.560 11.752 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.173 17.583 10.630 1.00 0.00 C ATOM 1111 NZ LYS A 73 -6.661 18.924 11.057 1.00 0.00 N ATOM 0 H LYS A 73 -6.204 12.603 8.848 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.059 12.738 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.079 14.820 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.058 14.976 10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.684 14.527 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.092 15.193 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.276 16.579 12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.583 16.828 12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.137 17.662 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.755 17.241 9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.577 19.592 10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.657 18.855 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.090 19.263 11.858 1.00 0.00 H new ATOM 1125 N SER A 74 -8.747 12.360 8.888 1.00 0.00 N ATOM 1126 CA SER A 74 -10.014 11.897 8.333 1.00 0.00 C ATOM 1127 C SER A 74 -9.796 10.709 7.400 1.00 0.00 C ATOM 1128 O SER A 74 -9.597 10.877 6.197 1.00 0.00 O ATOM 1129 CB SER A 74 -10.709 13.031 7.577 1.00 0.00 C ATOM 1130 OG SER A 74 -11.920 12.586 6.991 1.00 0.00 O ATOM 0 H SER A 74 -8.021 12.535 8.193 1.00 0.00 H new ATOM 0 HA SER A 74 -10.649 11.578 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.913 13.856 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.046 13.415 6.802 1.00 0.00 H new ATOM 0 HG SER A 74 -12.346 13.329 6.515 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.835 9.507 7.965 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.640 8.290 7.187 1.00 0.00 C ATOM 1138 C TYR A 75 -10.965 7.568 6.962 1.00 0.00 C ATOM 1139 O TYR A 75 -11.953 7.828 7.650 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.654 7.359 7.895 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.090 6.962 9.287 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -10.060 5.986 9.481 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.532 7.562 10.409 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.462 5.620 10.751 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -8.927 7.202 11.683 1.00 0.00 C ATOM 1146 CZ TYR A 75 -9.892 6.230 11.849 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.289 5.870 13.116 1.00 0.00 O ATOM 0 H TYR A 75 -10.000 9.350 8.959 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.231 8.572 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.521 6.459 7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.682 7.849 7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.508 5.505 8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.776 8.323 10.283 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.218 4.861 10.883 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.483 7.679 12.544 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.789 6.394 13.777 1.00 0.00 H new ATOM 1157 N THR A 76 -10.980 6.660 5.991 1.00 0.00 N ATOM 1158 CA THR A 76 -12.182 5.900 5.673 1.00 0.00 C ATOM 1159 C THR A 76 -11.858 4.429 5.441 1.00 0.00 C ATOM 1160 O THR A 76 -10.931 4.097 4.703 1.00 0.00 O ATOM 1161 CB THR A 76 -12.888 6.462 4.424 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.082 7.873 4.564 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.230 5.779 4.207 1.00 0.00 C ATOM 0 H THR A 76 -10.172 6.433 5.411 1.00 0.00 H new ATOM 0 HA THR A 76 -12.849 5.991 6.530 1.00 0.00 H new ATOM 0 HB THR A 76 -12.255 6.267 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.530 8.222 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.709 6.192 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.076 4.709 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.868 5.946 5.075 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.628 3.551 6.076 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.423 2.114 5.937 1.00 0.00 C ATOM 1173 C ASP A 77 -13.018 1.605 4.627 1.00 0.00 C ATOM 1174 O ASP A 77 -14.237 1.518 4.479 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.049 1.372 7.118 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.558 1.272 7.005 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.200 2.298 6.697 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -15.097 0.167 7.224 1.00 0.00 O ATOM 0 H ASP A 77 -13.399 3.810 6.691 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.350 1.924 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.625 0.370 7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.790 1.885 8.044 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.148 1.270 3.680 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.587 0.771 2.382 1.00 0.00 C ATOM 1185 C PHE A 78 -12.512 -0.753 2.331 1.00 0.00 C ATOM 1186 O PHE A 78 -11.480 -1.359 2.617 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.731 1.372 1.265 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.724 2.874 1.257 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.842 3.583 0.847 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.600 3.577 1.659 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.839 4.965 0.839 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.591 4.959 1.654 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.712 5.654 1.242 1.00 0.00 C ATOM 0 H PHE A 78 -11.136 1.335 3.787 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.625 1.071 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.707 1.012 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.098 1.013 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.726 3.049 0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.720 3.039 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.717 5.506 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.709 5.495 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.707 6.734 1.235 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.634 -1.387 1.958 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.722 -2.847 1.861 1.00 0.00 C ATOM 1205 C PRO A 79 -12.906 -3.401 0.699 1.00 0.00 C ATOM 1206 O PRO A 79 -12.941 -2.864 -0.409 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.215 -3.098 1.633 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.719 -1.842 1.010 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.902 -0.728 1.603 1.00 0.00 C ATOM 0 HA PRO A 79 -13.323 -3.339 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.377 -3.956 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.729 -3.309 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.608 -1.873 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.780 -1.702 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.748 0.081 0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.388 -0.294 2.477 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.172 -4.478 0.957 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.345 -5.104 -0.068 1.00 0.00 C ATOM 1219 C CYS A 80 -12.110 -6.218 -0.776 1.00 0.00 C ATOM 1220 O CYS A 80 -13.041 -6.796 -0.218 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.063 -5.663 0.551 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.823 -4.406 0.939 1.00 0.00 S ATOM 0 H CYS A 80 -12.133 -4.936 1.868 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.082 -4.343 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.318 -6.201 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.627 -6.389 -0.136 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.635 -4.925 0.844 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.710 -6.512 -2.009 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.359 -7.555 -2.794 1.00 0.00 C ATOM 1230 C GLN A 81 -11.509 -8.821 -2.826 1.00 0.00 C ATOM 1231 O GLN A 81 -10.385 -8.839 -2.325 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.617 -7.064 -4.220 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.752 -6.057 -4.320 1.00 0.00 C ATOM 1234 CD GLN A 81 -15.100 -6.716 -4.538 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.515 -6.947 -5.674 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -15.792 -7.025 -3.447 1.00 0.00 N ATOM 0 H GLN A 81 -10.940 -6.043 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.312 -7.791 -2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.705 -6.612 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.845 -7.920 -4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.786 -5.462 -3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.551 -5.369 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.410 -6.816 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.705 -7.472 -3.532 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.053 -9.878 -3.419 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.346 -11.150 -3.514 1.00 0.00 C ATOM 1247 C TYR A 82 -10.962 -11.453 -4.959 1.00 0.00 C ATOM 1248 O TYR A 82 -11.759 -11.263 -5.878 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.211 -12.281 -2.956 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.482 -13.601 -2.843 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.062 -14.284 -3.978 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.214 -14.165 -1.602 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.396 -15.491 -3.880 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.548 -15.371 -1.495 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.141 -16.030 -2.636 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.478 -17.231 -2.534 1.00 0.00 O ATOM 0 H TYR A 82 -12.982 -9.879 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.433 -11.075 -2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.579 -11.993 -1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.083 -12.411 -3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.259 -13.864 -4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.531 -13.652 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.077 -16.009 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.347 -15.795 -0.522 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.103 -17.322 -1.633 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.735 -11.927 -5.151 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.244 -12.259 -6.483 1.00 0.00 C ATOM 1268 C VAL A 83 -9.143 -13.768 -6.671 1.00 0.00 C ATOM 1269 O VAL A 83 -8.685 -14.487 -5.783 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.865 -11.626 -6.747 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.334 -12.051 -8.107 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.946 -10.110 -6.646 1.00 0.00 C ATOM 0 H VAL A 83 -9.063 -12.090 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.963 -11.855 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.170 -11.981 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.359 -11.594 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.236 -13.136 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.026 -11.728 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.963 -9.680 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.655 -9.734 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.279 -9.829 -5.647 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.042 -16.684 0.571 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.936 -15.971 -0.334 1.00 0.00 C ATOM 1417 C ASP A 93 -5.329 -14.638 -0.760 1.00 0.00 C ATOM 1418 O ASP A 93 -4.355 -14.170 -0.169 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.292 -15.737 0.334 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.911 -17.020 0.853 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -8.039 -17.979 0.063 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.266 -17.066 2.049 1.00 0.00 O ATOM 0 HA ASP A 93 -6.078 -16.586 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.171 -15.036 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.971 -15.273 -0.381 1.00 0.00 H new ATOM 1427 N THR A 94 -5.909 -14.031 -1.790 1.00 0.00 N ATOM 1428 CA THR A 94 -5.424 -12.753 -2.297 1.00 0.00 C ATOM 1429 C THR A 94 -6.561 -11.747 -2.430 1.00 0.00 C ATOM 1430 O THR A 94 -7.447 -11.903 -3.271 1.00 0.00 O ATOM 1431 CB THR A 94 -4.736 -12.917 -3.665 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.735 -13.938 -3.591 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.100 -11.608 -4.111 1.00 0.00 C ATOM 0 H THR A 94 -6.716 -14.404 -2.290 1.00 0.00 H new ATOM 0 HA THR A 94 -4.697 -12.381 -1.575 1.00 0.00 H new ATOM 0 HB THR A 94 -5.493 -13.203 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.304 -14.037 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.620 -11.748 -5.080 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.869 -10.840 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.355 -11.297 -3.379 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.531 -10.713 -1.595 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.560 -9.681 -1.620 1.00 0.00 C ATOM 1443 C PHE A 95 -7.044 -8.414 -2.297 1.00 0.00 C ATOM 1444 O PHE A 95 -5.931 -7.962 -2.027 1.00 0.00 O ATOM 1445 CB PHE A 95 -8.024 -9.359 -0.197 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.595 -10.543 0.529 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -9.937 -10.865 0.409 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -7.789 -11.335 1.331 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -10.465 -11.953 1.077 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -8.311 -12.425 2.001 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.651 -12.735 1.873 1.00 0.00 C ATOM 0 H PHE A 95 -5.805 -10.568 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.405 -10.060 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.181 -8.966 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.776 -8.571 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.578 -10.259 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.740 -11.098 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -11.513 -12.192 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.672 -13.034 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.061 -13.587 2.394 1.00 0.00 H new ATOM 1461 N SER A 96 -7.861 -7.847 -3.179 1.00 0.00 N ATOM 1462 CA SER A 96 -7.486 -6.636 -3.899 1.00 0.00 C ATOM 1463 C SER A 96 -8.227 -5.423 -3.343 1.00 0.00 C ATOM 1464 O SER A 96 -9.189 -5.561 -2.588 1.00 0.00 O ATOM 1465 CB SER A 96 -7.786 -6.791 -5.391 1.00 0.00 C ATOM 1466 OG SER A 96 -7.071 -5.836 -6.156 1.00 0.00 O ATOM 0 H SER A 96 -8.787 -8.207 -3.412 1.00 0.00 H new ATOM 0 HA SER A 96 -6.416 -6.480 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.519 -7.796 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.856 -6.674 -5.564 1.00 0.00 H new ATOM 0 HG SER A 96 -7.278 -5.957 -7.106 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.771 -4.234 -3.724 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.388 -2.996 -3.264 1.00 0.00 C ATOM 1474 C PHE A 97 -8.282 -1.907 -4.328 1.00 0.00 C ATOM 1475 O PHE A 97 -7.263 -1.787 -5.009 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.728 -2.523 -1.967 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.306 -2.075 -2.147 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.019 -0.850 -2.728 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.255 -2.878 -1.734 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.712 -0.436 -2.895 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.945 -2.469 -1.899 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.673 -1.246 -2.479 1.00 0.00 C ATOM 0 H PHE A 97 -6.977 -4.102 -4.350 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.443 -3.194 -3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.310 -1.700 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.756 -3.333 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.827 -0.212 -3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.462 -3.835 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.502 0.520 -3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.135 -3.105 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.650 -0.923 -2.607 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.341 -1.117 -4.465 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.368 -0.038 -5.446 1.00 0.00 C ATOM 1494 C ASP A 98 -9.852 1.261 -4.810 1.00 0.00 C ATOM 1495 O ASP A 98 -11.054 1.469 -4.637 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.271 -0.412 -6.622 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.665 -0.810 -6.179 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.823 -1.930 -5.650 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.599 0.000 -6.360 1.00 0.00 O ATOM 0 H ASP A 98 -10.192 -1.203 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.353 0.113 -5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.338 0.433 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.820 -1.236 -7.175 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.910 2.132 -4.464 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.240 3.410 -3.848 1.00 0.00 C ATOM 1506 C ILE A 99 -9.182 4.543 -4.867 1.00 0.00 C ATOM 1507 O ILE A 99 -8.283 4.590 -5.707 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.290 3.735 -2.680 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.477 2.726 -1.545 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.529 5.152 -2.181 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.271 2.602 -0.642 1.00 0.00 C ATOM 0 H ILE A 99 -7.911 1.975 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.256 3.322 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.263 3.665 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.340 3.020 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.703 1.749 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.850 5.366 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.349 5.858 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.559 5.248 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.475 1.870 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.410 2.278 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.057 3.569 -0.186 1.00 0.00 H new ATOM 1523 N SER A 100 -10.144 5.456 -4.785 1.00 0.00 N ATOM 1524 CA SER A 100 -10.204 6.589 -5.701 1.00 0.00 C ATOM 1525 C SER A 100 -9.521 7.812 -5.097 1.00 0.00 C ATOM 1526 O SER A 100 -9.984 8.368 -4.100 1.00 0.00 O ATOM 1527 CB SER A 100 -11.658 6.919 -6.044 1.00 0.00 C ATOM 1528 OG SER A 100 -12.435 7.076 -4.869 1.00 0.00 O ATOM 0 H SER A 100 -10.893 5.433 -4.093 1.00 0.00 H new ATOM 0 HA SER A 100 -9.677 6.314 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.697 7.834 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.079 6.124 -6.659 1.00 0.00 H new ATOM 0 HG SER A 100 -11.949 7.636 -4.228 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.417 8.227 -5.708 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.668 9.386 -5.233 1.00 0.00 C ATOM 1536 C LEU A 101 -8.577 10.603 -5.096 1.00 0.00 C ATOM 1537 O LEU A 101 -9.614 10.711 -5.751 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.516 9.700 -6.188 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.341 8.722 -6.167 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.333 9.076 -7.250 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -4.676 8.716 -4.799 1.00 0.00 C ATOM 0 H LEU A 101 -8.020 7.778 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.262 9.147 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.912 9.739 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.138 10.696 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.723 7.721 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.504 8.369 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.816 9.028 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.956 10.085 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.842 8.014 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.308 9.716 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.401 8.414 -4.043 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.180 11.543 -4.225 1.00 0.00 N ATOM 1554 CA PRO A 102 -8.944 12.771 -3.984 1.00 0.00 C ATOM 1555 C PRO A 102 -8.906 13.720 -5.177 1.00 0.00 C ATOM 1556 O PRO A 102 -8.001 13.652 -6.007 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.236 13.398 -2.780 1.00 0.00 C ATOM 1558 CG PRO A 102 -6.846 12.866 -2.839 1.00 0.00 C ATOM 1559 CD PRO A 102 -6.956 11.480 -3.410 1.00 0.00 C ATOM 0 HA PRO A 102 -10.001 12.567 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.246 14.486 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.726 13.124 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.213 13.496 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.394 12.845 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.085 11.223 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.034 10.727 -2.626 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.634 15.877 4.115 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.016 14.563 3.991 1.00 0.00 C ATOM 1689 C ARG A 110 -1.039 13.520 3.550 1.00 0.00 C ATOM 1690 O ARG A 110 -2.239 13.686 3.762 1.00 0.00 O ATOM 1691 CB ARG A 110 0.614 14.144 5.321 1.00 0.00 C ATOM 1692 CG ARG A 110 1.748 13.143 5.170 1.00 0.00 C ATOM 1693 CD ARG A 110 3.079 13.841 4.938 1.00 0.00 C ATOM 1694 NE ARG A 110 3.342 14.059 3.518 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.451 14.626 3.055 1.00 0.00 C ATOM 1696 NH1 ARG A 110 5.395 15.028 3.895 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.618 14.790 1.749 1.00 0.00 N ATOM 0 HA ARG A 110 0.763 14.627 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.990 15.031 5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.158 13.713 5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.811 12.525 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.536 12.474 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.082 14.799 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.882 13.242 5.368 1.00 0.00 H new ATOM 0 HE ARG A 110 2.636 13.760 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.271 14.902 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.245 15.463 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.895 14.481 1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.470 15.225 1.394 1.00 0.00 H new ATOM 1711 N MET A 111 -0.554 12.446 2.935 1.00 0.00 N ATOM 1712 CA MET A 111 -1.426 11.377 2.464 1.00 0.00 C ATOM 1713 C MET A 111 -0.752 10.017 2.621 1.00 0.00 C ATOM 1714 O MET A 111 0.265 9.742 1.985 1.00 0.00 O ATOM 1715 CB MET A 111 -1.805 11.605 1.000 1.00 0.00 C ATOM 1716 CG MET A 111 -2.537 10.431 0.371 1.00 0.00 C ATOM 1717 SD MET A 111 -3.124 10.790 -1.296 1.00 0.00 S ATOM 1718 CE MET A 111 -1.585 11.198 -2.116 1.00 0.00 C ATOM 0 H MET A 111 0.438 12.293 2.751 1.00 0.00 H new ATOM 0 HA MET A 111 -2.331 11.387 3.071 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.433 12.493 0.930 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.900 11.808 0.427 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.872 9.568 0.340 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.385 10.158 0.999 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.513 10.643 -3.051 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.557 12.267 -2.325 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.747 10.932 -1.471 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.325 9.171 3.471 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.778 7.841 3.711 1.00 0.00 C ATOM 1730 C GLU A 112 -1.894 6.828 3.948 1.00 0.00 C ATOM 1731 O GLU A 112 -3.025 7.196 4.267 1.00 0.00 O ATOM 1732 CB GLU A 112 0.169 7.864 4.913 1.00 0.00 C ATOM 1733 CG GLU A 112 1.206 8.973 4.850 1.00 0.00 C ATOM 1734 CD GLU A 112 2.389 8.718 5.763 1.00 0.00 C ATOM 1735 OE1 GLU A 112 2.165 8.380 6.944 1.00 0.00 O ATOM 1736 OE2 GLU A 112 3.539 8.856 5.296 1.00 0.00 O ATOM 0 H GLU A 112 -2.168 9.383 4.005 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.220 7.540 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.417 7.978 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.680 6.904 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.559 9.077 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.738 9.919 5.123 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.568 5.550 3.788 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.543 4.482 3.983 1.00 0.00 C ATOM 1745 C PHE A 113 -1.897 3.271 4.649 1.00 0.00 C ATOM 1746 O PHE A 113 -0.678 3.104 4.610 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.158 4.074 2.643 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.360 3.035 1.909 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.487 1.692 2.227 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.482 3.401 0.901 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.755 0.733 1.553 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.747 2.446 0.223 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.883 1.111 0.550 1.00 0.00 C ATOM 0 H PHE A 113 -0.637 5.228 3.524 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.330 4.857 4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.165 3.693 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.255 4.958 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.166 1.391 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.371 4.444 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.864 -0.310 1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.067 2.744 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.309 0.364 0.023 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.723 2.429 5.261 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.234 1.232 5.934 1.00 0.00 C ATOM 1765 C ALA A 114 -3.182 0.057 5.723 1.00 0.00 C ATOM 1766 O ALA A 114 -4.340 0.240 5.346 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.047 1.502 7.420 1.00 0.00 C ATOM 0 H ALA A 114 -3.734 2.554 5.305 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.270 0.969 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.682 0.600 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.324 2.307 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.001 1.793 7.860 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.683 -1.151 5.967 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.486 -2.357 5.804 1.00 0.00 C ATOM 1775 C VAL A 115 -4.011 -2.854 7.146 1.00 0.00 C ATOM 1776 O VAL A 115 -3.296 -2.836 8.149 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.678 -3.483 5.132 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.537 -4.726 4.958 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.124 -3.015 3.795 1.00 0.00 C ATOM 0 H VAL A 115 -1.726 -1.320 6.278 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.328 -2.092 5.164 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.838 -3.740 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.949 -5.511 4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.880 -5.071 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.398 -4.488 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.556 -3.823 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.947 -2.730 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.471 -2.156 3.952 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.263 -3.298 7.159 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.884 -3.798 8.379 1.00 0.00 C ATOM 1791 C TYR A 116 -6.494 -5.178 8.153 1.00 0.00 C ATOM 1792 O TYR A 116 -7.567 -5.307 7.563 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.961 -2.826 8.864 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.100 -3.500 9.595 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.855 -4.407 10.618 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.422 -3.228 9.264 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.892 -5.025 11.288 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.466 -3.840 9.930 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.196 -4.738 10.941 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.232 -5.351 11.607 1.00 0.00 O ATOM 0 H TYR A 116 -5.868 -3.322 6.338 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.110 -3.882 9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.503 -2.089 9.523 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.361 -2.283 8.008 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.836 -4.633 10.894 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.637 -2.526 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.683 -5.729 12.080 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.488 -3.616 9.660 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.086 -5.038 11.242 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.802 -6.208 8.628 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.272 -7.580 8.477 1.00 0.00 C ATOM 1812 C TYR A 117 -6.754 -8.140 9.812 1.00 0.00 C ATOM 1813 O TYR A 117 -6.000 -8.195 10.782 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.160 -8.464 7.912 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.480 -9.941 7.952 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.754 -10.404 7.648 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.508 -10.874 8.294 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -7.052 -11.753 7.685 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.796 -12.224 8.331 1.00 0.00 C ATOM 1820 CZ TYR A 117 -6.069 -12.659 8.027 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.361 -14.003 8.063 1.00 0.00 O ATOM 0 H TYR A 117 -4.913 -6.119 9.121 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.111 -7.575 7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.964 -8.171 6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.244 -8.284 8.474 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.525 -9.697 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.511 -10.537 8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.048 -12.096 7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.028 -12.936 8.597 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.257 -14.133 8.437 1.00 0.00 H new ATOM 1831 N GLU A 118 -8.016 -8.556 9.850 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.600 -9.113 11.065 1.00 0.00 C ATOM 1833 C GLU A 118 -8.832 -10.614 10.920 1.00 0.00 C ATOM 1834 O GLU A 118 -9.436 -11.068 9.947 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.919 -8.411 11.392 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.224 -8.348 12.879 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.697 -8.133 13.165 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.528 -8.518 12.315 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -12.021 -7.581 14.237 1.00 0.00 O ATOM 0 H GLU A 118 -8.653 -8.518 9.054 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.897 -8.949 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.890 -7.397 10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.732 -8.930 10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.897 -9.274 13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.649 -7.539 13.330 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.347 -11.378 11.892 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.500 -12.829 11.872 1.00 0.00 C ATOM 1848 C CYS A 119 -8.084 -13.438 13.207 1.00 0.00 C ATOM 1849 O CYS A 119 -7.329 -12.834 13.967 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.668 -13.435 10.740 1.00 0.00 C ATOM 1851 SG CYS A 119 -8.171 -15.106 10.268 1.00 0.00 S ATOM 0 H CYS A 119 -7.845 -11.018 12.703 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.552 -13.056 11.702 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.735 -12.786 9.867 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.621 -13.454 11.043 1.00 0.00 H new ATOM 0 HG CYS A 119 -9.372 -15.074 9.771 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.585 -14.637 13.486 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.267 -15.327 14.731 1.00 0.00 C ATOM 1859 C ASN A 120 -8.396 -14.384 15.923 1.00 0.00 C ATOM 1860 O ASN A 120 -7.551 -14.378 16.817 1.00 0.00 O ATOM 1861 CB ASN A 120 -6.851 -15.903 14.672 1.00 0.00 C ATOM 1862 CG ASN A 120 -6.792 -17.216 13.916 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.953 -18.289 14.499 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.560 -17.137 12.611 1.00 0.00 N ATOM 0 H ASN A 120 -9.212 -15.151 12.867 1.00 0.00 H new ATOM 0 HA ASN A 120 -8.978 -16.143 14.857 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.188 -15.182 14.194 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.480 -16.054 15.686 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.509 -17.987 12.050 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.433 -16.226 12.170 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.461 -13.588 15.929 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.681 -12.652 17.017 1.00 0.00 C ATOM 1873 C GLY A 121 -8.507 -11.715 17.222 1.00 0.00 C ATOM 1874 O GLY A 121 -8.159 -11.386 18.355 1.00 0.00 O ATOM 0 H GLY A 121 -10.175 -13.574 15.201 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.578 -12.067 16.813 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.865 -13.206 17.937 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.896 -11.285 16.123 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.753 -10.382 16.188 1.00 0.00 C ATOM 1880 C GLN A 122 -6.875 -9.273 15.149 1.00 0.00 C ATOM 1881 O GLN A 122 -7.695 -9.352 14.233 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.451 -11.157 15.974 1.00 0.00 C ATOM 1883 CG GLN A 122 -4.977 -11.903 17.210 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.183 -11.023 18.155 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.748 -10.359 19.025 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -2.866 -11.012 17.989 1.00 0.00 N ATOM 0 H GLN A 122 -8.173 -11.547 15.177 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.738 -9.927 17.178 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.592 -11.870 15.161 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.672 -10.463 15.658 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.840 -12.310 17.737 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.362 -12.750 16.905 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.440 -11.578 17.255 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.280 -10.438 18.595 1.00 0.00 H new ATOM 1895 N THR A 123 -6.055 -8.237 15.297 1.00 0.00 N ATOM 1896 CA THR A 123 -6.072 -7.111 14.372 1.00 0.00 C ATOM 1897 C THR A 123 -4.660 -6.733 13.939 1.00 0.00 C ATOM 1898 O THR A 123 -3.972 -5.977 14.625 1.00 0.00 O ATOM 1899 CB THR A 123 -6.751 -5.879 15.000 1.00 0.00 C ATOM 1900 OG1 THR A 123 -8.064 -6.223 15.458 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.842 -4.740 13.996 1.00 0.00 C ATOM 0 H THR A 123 -5.371 -8.155 16.049 1.00 0.00 H new ATOM 0 HA THR A 123 -6.644 -7.427 13.500 1.00 0.00 H new ATOM 0 HB THR A 123 -6.146 -5.550 15.845 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.488 -5.435 15.857 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.325 -3.881 14.463 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.840 -4.460 13.671 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.427 -5.061 13.134 1.00 0.00 H new ATOM 1909 N TYR A 124 -4.235 -7.262 12.798 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.904 -6.981 12.274 1.00 0.00 C ATOM 1911 C TYR A 124 -2.892 -5.673 11.489 1.00 0.00 C ATOM 1912 O TYR A 124 -3.693 -5.478 10.575 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.431 -8.130 11.381 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.667 -9.498 11.979 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.974 -9.913 13.110 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.583 -10.377 11.414 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -2.186 -11.163 13.659 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.803 -11.628 11.957 1.00 0.00 C ATOM 1919 CZ TYR A 124 -3.101 -12.016 13.079 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.316 -13.262 13.624 1.00 0.00 O ATOM 0 H TYR A 124 -4.793 -7.888 12.218 1.00 0.00 H new ATOM 0 HA TYR A 124 -2.222 -6.882 13.119 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.945 -8.069 10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.366 -8.009 11.181 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -1.257 -9.247 13.568 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.133 -10.077 10.534 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.638 -11.470 14.538 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.520 -12.298 11.506 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.992 -13.738 13.097 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.977 -4.782 11.852 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.859 -3.492 11.181 1.00 0.00 C ATOM 1932 C TRP A 125 -0.506 -3.359 10.491 1.00 0.00 C ATOM 1933 O TRP A 125 0.529 -3.253 11.149 1.00 0.00 O ATOM 1934 CB TRP A 125 -2.047 -2.353 12.185 1.00 0.00 C ATOM 1935 CG TRP A 125 -3.485 -2.069 12.498 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -4.181 -2.480 13.599 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -4.403 -1.313 11.699 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -5.477 -2.025 13.533 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.637 -1.306 12.378 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.301 -0.641 10.479 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.759 -0.654 11.874 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.416 0.006 9.980 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.631 -0.003 10.677 1.00 0.00 C ATOM 0 H TRP A 125 -1.306 -4.928 12.606 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.640 -3.432 10.423 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -1.524 -2.602 13.108 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.583 -1.449 11.790 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -3.773 -3.075 14.403 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -6.201 -2.195 14.231 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.368 -0.627 9.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.697 -0.662 12.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.349 0.527 9.037 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.483 0.514 10.262 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.521 -3.365 9.163 1.00 0.00 N ATOM 1955 CA ASP A 126 0.705 -3.243 8.384 1.00 0.00 C ATOM 1956 C ASP A 126 0.780 -1.884 7.696 1.00 0.00 C ATOM 1957 O ASP A 126 0.175 -1.675 6.644 1.00 0.00 O ATOM 1958 CB ASP A 126 0.786 -4.360 7.342 1.00 0.00 C ATOM 1959 CG ASP A 126 2.153 -4.449 6.693 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.505 -3.532 5.923 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.871 -5.436 6.957 1.00 0.00 O ATOM 0 H ASP A 126 -1.369 -3.453 8.603 1.00 0.00 H new ATOM 0 HA ASP A 126 1.550 -3.331 9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.549 -5.313 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.032 -4.191 6.573 1.00 0.00 H new ATOM 1966 N SER A 127 1.524 -0.962 8.297 1.00 0.00 N ATOM 1967 CA SER A 127 1.674 0.380 7.745 1.00 0.00 C ATOM 1968 C SER A 127 2.968 0.497 6.946 1.00 0.00 C ATOM 1969 O SER A 127 4.032 0.763 7.502 1.00 0.00 O ATOM 1970 CB SER A 127 1.658 1.420 8.867 1.00 0.00 C ATOM 1971 OG SER A 127 2.760 1.245 9.741 1.00 0.00 O ATOM 0 H SER A 127 2.033 -1.119 9.167 1.00 0.00 H new ATOM 0 HA SER A 127 0.835 0.566 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.685 2.422 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.728 1.339 9.429 1.00 0.00 H new ATOM 0 HG SER A 127 3.554 1.001 9.221 1.00 0.00 H new ATOM 1977 N ASN A 128 2.866 0.297 5.636 1.00 0.00 N ATOM 1978 CA ASN A 128 4.028 0.380 4.758 1.00 0.00 C ATOM 1979 C ASN A 128 5.167 -0.492 5.279 1.00 0.00 C ATOM 1980 O ASN A 128 6.335 -0.112 5.209 1.00 0.00 O ATOM 1981 CB ASN A 128 4.497 1.830 4.633 1.00 0.00 C ATOM 1982 CG ASN A 128 5.773 1.958 3.823 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.987 1.219 2.862 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.627 2.899 4.208 1.00 0.00 N ATOM 0 H ASN A 128 1.992 0.077 5.159 1.00 0.00 H new ATOM 0 HA ASN A 128 3.735 0.014 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.712 2.424 4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.659 2.244 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.502 3.032 3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.408 3.489 5.011 1.00 0.00 H new ATOM 1991 N ARG A 129 4.817 -1.663 5.801 1.00 0.00 N ATOM 1992 CA ARG A 129 5.809 -2.588 6.335 1.00 0.00 C ATOM 1993 C ARG A 129 6.984 -1.832 6.947 1.00 0.00 C ATOM 1994 O ARG A 129 8.135 -2.250 6.827 1.00 0.00 O ATOM 1995 CB ARG A 129 6.309 -3.524 5.233 1.00 0.00 C ATOM 1996 CG ARG A 129 6.933 -2.797 4.053 1.00 0.00 C ATOM 1997 CD ARG A 129 7.601 -3.766 3.090 1.00 0.00 C ATOM 1998 NE ARG A 129 8.216 -3.078 1.959 1.00 0.00 N ATOM 1999 CZ ARG A 129 9.247 -3.562 1.276 1.00 0.00 C ATOM 2000 NH1 ARG A 129 9.775 -4.733 1.607 1.00 0.00 N ATOM 2001 NH2 ARG A 129 9.751 -2.877 0.258 1.00 0.00 N ATOM 0 H ARG A 129 3.854 -1.993 5.865 1.00 0.00 H new ATOM 0 HA ARG A 129 5.334 -3.180 7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 129 7.043 -4.210 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.476 -4.129 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.165 -2.231 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 129 7.668 -2.078 4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 129 8.360 -4.339 3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 129 6.863 -4.479 2.723 1.00 0.00 H new ATOM 0 HE ARG A 129 7.833 -2.176 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 129 9.389 -5.264 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 129 10.567 -5.102 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 129 9.347 -1.977 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 129 10.543 -3.250 -0.266 1.00 0.00 H new ATOM 2015 N GLY A 130 6.685 -0.716 7.605 1.00 0.00 N ATOM 2016 CA GLY A 130 7.727 0.081 8.225 1.00 0.00 C ATOM 2017 C GLY A 130 7.174 1.284 8.965 1.00 0.00 C ATOM 2018 O GLY A 130 6.999 1.247 10.183 1.00 0.00 O ATOM 0 H GLY A 130 5.740 -0.350 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.291 -0.541 8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.426 0.419 7.460 1.00 0.00 H new ATOM 2022 N LYS A 131 6.899 2.354 8.228 1.00 0.00 N ATOM 2023 CA LYS A 131 6.363 3.574 8.820 1.00 0.00 C ATOM 2024 C LYS A 131 5.019 3.936 8.197 1.00 0.00 C ATOM 2025 O LYS A 131 3.980 3.861 8.853 1.00 0.00 O ATOM 2026 CB LYS A 131 7.349 4.730 8.637 1.00 0.00 C ATOM 2027 CG LYS A 131 8.611 4.591 9.471 1.00 0.00 C ATOM 2028 CD LYS A 131 9.179 5.948 9.854 1.00 0.00 C ATOM 2029 CE LYS A 131 10.454 5.808 10.671 1.00 0.00 C ATOM 2030 NZ LYS A 131 11.658 5.689 9.803 1.00 0.00 N ATOM 0 H LYS A 131 7.038 2.401 7.219 1.00 0.00 H new ATOM 0 HA LYS A 131 6.214 3.396 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.625 4.798 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.852 5.665 8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.391 4.020 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.358 4.028 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.385 6.525 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.438 6.505 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.562 6.672 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.380 4.930 11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.506 5.595 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.566 4.850 9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.743 6.539 9.209 1.00 0.00 H new ATOM 2044 N ASN A 132 5.046 4.327 6.927 1.00 0.00 N ATOM 2045 CA ASN A 132 3.828 4.700 6.216 1.00 0.00 C ATOM 2046 C ASN A 132 4.061 4.714 4.708 1.00 0.00 C ATOM 2047 O ASN A 132 5.189 4.887 4.246 1.00 0.00 O ATOM 2048 CB ASN A 132 3.341 6.074 6.681 1.00 0.00 C ATOM 2049 CG ASN A 132 3.507 6.270 8.175 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.613 6.503 8.663 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.404 6.177 8.910 1.00 0.00 N ATOM 0 H ASN A 132 5.897 4.394 6.369 1.00 0.00 H new ATOM 0 HA ASN A 132 3.064 3.956 6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 132 3.893 6.851 6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.290 6.193 6.416 1.00 0.00 H new ATOM 0 HD21 ASN A 132 2.453 6.300 9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.508 5.982 8.463 1.00 0.00 H new ATOM 2058 N TYR A 133 2.988 4.532 3.947 1.00 0.00 N ATOM 2059 CA TYR A 133 3.075 4.522 2.492 1.00 0.00 C ATOM 2060 C TYR A 133 3.018 5.940 1.933 1.00 0.00 C ATOM 2061 O TYR A 133 1.988 6.375 1.418 1.00 0.00 O ATOM 2062 CB TYR A 133 1.944 3.682 1.898 1.00 0.00 C ATOM 2063 CG TYR A 133 2.273 2.210 1.793 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.472 1.785 1.233 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.386 1.244 2.252 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.777 0.441 1.133 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.683 -0.102 2.158 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.880 -0.498 1.598 1.00 0.00 C ATOM 2069 OH TYR A 133 3.179 -1.838 1.502 1.00 0.00 O ATOM 0 H TYR A 133 2.047 4.389 4.314 1.00 0.00 H new ATOM 0 HA TYR A 133 4.032 4.079 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.052 3.803 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.702 4.063 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.177 2.518 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.448 1.551 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.712 0.128 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 133 0.982 -0.840 2.521 1.00 0.00 H new ATOM 0 HH TYR A 133 2.750 -2.322 2.238 1.00 0.00 H new ATOM 2079 N ARG A 134 4.133 6.656 2.039 1.00 0.00 N ATOM 2080 CA ARG A 134 4.212 8.025 1.545 1.00 0.00 C ATOM 2081 C ARG A 134 3.983 8.073 0.037 1.00 0.00 C ATOM 2082 O ARG A 134 4.798 7.575 -0.740 1.00 0.00 O ATOM 2083 CB ARG A 134 5.572 8.636 1.885 1.00 0.00 C ATOM 2084 CG ARG A 134 5.711 10.089 1.462 1.00 0.00 C ATOM 2085 CD ARG A 134 7.156 10.557 1.541 1.00 0.00 C ATOM 2086 NE ARG A 134 7.487 11.088 2.861 1.00 0.00 N ATOM 2087 CZ ARG A 134 8.632 11.700 3.140 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.550 11.859 2.197 1.00 0.00 N ATOM 2089 NH2 ARG A 134 8.861 12.156 4.365 1.00 0.00 N ATOM 0 H ARG A 134 4.994 6.310 2.463 1.00 0.00 H new ATOM 0 HA ARG A 134 3.429 8.606 2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.735 8.563 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.355 8.050 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 134 5.344 10.209 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 134 5.089 10.716 2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.820 9.725 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.330 11.325 0.787 1.00 0.00 H new ATOM 0 HE ARG A 134 6.801 10.983 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.378 11.511 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.428 12.330 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 134 8.157 12.037 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 134 9.741 12.626 4.578 1.00 0.00 H new ATOM 2103 N ILE A 135 2.870 8.675 -0.369 1.00 0.00 N ATOM 2104 CA ILE A 135 2.536 8.788 -1.783 1.00 0.00 C ATOM 2105 C ILE A 135 2.783 10.203 -2.295 1.00 0.00 C ATOM 2106 O ILE A 135 2.126 11.153 -1.866 1.00 0.00 O ATOM 2107 CB ILE A 135 1.067 8.408 -2.046 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.807 6.962 -1.619 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.725 8.601 -3.516 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.661 6.596 -1.588 1.00 0.00 C ATOM 0 H ILE A 135 2.185 9.092 0.261 1.00 0.00 H new ATOM 0 HA ILE A 135 3.184 8.093 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 135 0.427 9.063 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.326 6.291 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.234 6.801 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.317 8.328 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.876 9.645 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.370 7.968 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.770 5.557 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.182 7.243 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.089 6.724 -2.582 1.00 0.00 H new ATOM 2122 N ILE A 136 3.732 10.336 -3.216 1.00 0.00 N ATOM 2123 CA ILE A 136 4.063 11.635 -3.788 1.00 0.00 C ATOM 2124 C ILE A 136 3.718 11.686 -5.273 1.00 0.00 C ATOM 2125 O ILE A 136 3.413 10.662 -5.885 1.00 0.00 O ATOM 2126 CB ILE A 136 5.556 11.966 -3.608 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.420 10.956 -4.367 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.921 11.978 -2.131 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.839 11.426 -4.595 1.00 0.00 C ATOM 0 H ILE A 136 4.285 9.561 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 136 3.468 12.376 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 136 5.745 12.958 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.441 10.018 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.956 10.745 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.979 12.213 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.326 12.731 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.720 10.998 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.393 10.660 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.828 12.348 -5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.320 11.609 -3.634 1.00 0.00 H new ATOM 2141 N ARG A 137 3.771 12.883 -5.847 1.00 0.00 N ATOM 2142 CA ARG A 137 3.466 13.067 -7.260 1.00 0.00 C ATOM 2143 C ARG A 137 4.647 12.650 -8.131 1.00 0.00 C ATOM 2144 O ARG A 137 5.740 12.390 -7.628 1.00 0.00 O ATOM 2145 CB ARG A 137 3.103 14.527 -7.540 1.00 0.00 C ATOM 2146 CG ARG A 137 2.123 14.702 -8.689 1.00 0.00 C ATOM 2147 CD ARG A 137 1.264 15.943 -8.504 1.00 0.00 C ATOM 2148 NE ARG A 137 2.071 17.140 -8.285 1.00 0.00 N ATOM 2149 CZ ARG A 137 1.618 18.231 -7.678 1.00 0.00 C ATOM 2150 NH1 ARG A 137 0.370 18.276 -7.232 1.00 0.00 N ATOM 2151 NH2 ARG A 137 2.413 19.281 -7.517 1.00 0.00 N ATOM 0 H ARG A 137 4.022 13.740 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 137 2.614 12.434 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.675 14.965 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.014 15.083 -7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.671 14.774 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.483 13.822 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.637 16.085 -9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.594 15.797 -7.656 1.00 0.00 H new ATOM 0 HE ARG A 137 3.036 17.138 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.245 17.471 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 137 0.025 19.115 -6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 137 3.373 19.251 -7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 137 2.064 20.118 -7.051 1.00 0.00 H new ATOM 2165 N ALA A 138 4.419 12.588 -9.439 1.00 0.00 N ATOM 2166 CA ALA A 138 5.464 12.204 -10.379 1.00 0.00 C ATOM 2167 C ALA A 138 6.301 13.410 -10.793 1.00 0.00 C ATOM 2168 O ALA A 138 7.459 13.268 -11.182 1.00 0.00 O ATOM 2169 CB ALA A 138 4.854 11.537 -11.603 1.00 0.00 C ATOM 0 H ALA A 138 3.520 12.799 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 138 6.122 11.492 -9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.646 11.255 -12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 138 4.306 10.646 -11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.172 12.231 -12.094 1.00 0.00 H new ATOM 2175 N GLU A 139 5.705 14.595 -10.707 1.00 0.00 N ATOM 2176 CA GLU A 139 6.396 15.825 -11.075 1.00 0.00 C ATOM 2177 C GLU A 139 7.224 16.354 -9.907 1.00 0.00 C ATOM 2178 O GLU A 139 8.160 17.132 -10.097 1.00 0.00 O ATOM 2179 CB GLU A 139 5.389 16.887 -11.523 1.00 0.00 C ATOM 2180 CG GLU A 139 4.264 17.118 -10.529 1.00 0.00 C ATOM 2181 CD GLU A 139 3.509 18.406 -10.790 1.00 0.00 C ATOM 2182 OE1 GLU A 139 3.924 19.456 -10.258 1.00 0.00 O ATOM 2183 OE2 GLU A 139 2.503 18.364 -11.529 1.00 0.00 O ATOM 0 H GLU A 139 4.746 14.729 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 139 7.069 15.600 -11.903 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.915 17.827 -11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.961 16.589 -12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.569 16.279 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.675 17.141 -9.520 1.00 0.00 H new