USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 17 HIS : no HD1:sc= -0.566 X(o=-1.3,f=-1.2) USER MOD Set 1.2: A 81 GLN : amide:sc= -0.747 K(o=-1.3,f=-3.2) USER MOD Set 2.1: A 28 SER OG : rot -75:sc= 0.277 USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -49:sc= 0.253 USER MOD Single : A 16 ASN : amide:sc= -4.72! C(o=-4.7!,f=-17!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -140:sc= -0.181 (180deg=-0.921) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00402 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0491 K(o=-0.049,f=-1.8!) USER MOD Single : A 67 THR OG1 : rot -13:sc= 0.607 USER MOD Single : A 71 ASN : amide:sc= -2.87 K(o=-2.9,f=-0.53) USER MOD Single : A 72 THR OG1 : rot -15:sc= 1.13 USER MOD Single : A 73 HIS : no HD1:sc= -2.95 X(o=-2.9,f=-2.6!) USER MOD Single : A 75 MET CE :methyl -131:sc= -6.05! (180deg=-6.76!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.101 (180deg=-0.101) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.858 9.038 1.939 1.00 0.00 N ATOM 81 CA ALA A 9 9.622 8.344 1.597 1.00 0.00 C ATOM 82 C ALA A 9 9.673 7.802 0.174 1.00 0.00 C ATOM 83 O ALA A 9 10.258 8.420 -0.716 1.00 0.00 O ATOM 84 CB ALA A 9 8.430 9.272 1.768 1.00 0.00 C ATOM 0 HA ALA A 9 9.510 7.499 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.515 8.740 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.375 9.606 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.545 10.136 1.114 1.00 0.00 H new ATOM 90 N ARG A 10 9.057 6.642 -0.037 1.00 0.00 N ATOM 91 CA ARG A 10 9.034 6.017 -1.353 1.00 0.00 C ATOM 92 C ARG A 10 7.620 6.006 -1.926 1.00 0.00 C ATOM 93 O ARG A 10 6.634 5.844 -1.206 1.00 0.00 O ATOM 94 CB ARG A 10 9.573 4.588 -1.271 1.00 0.00 C ATOM 95 CG ARG A 10 11.009 4.505 -0.779 1.00 0.00 C ATOM 96 CD ARG A 10 11.997 4.844 -1.885 1.00 0.00 C ATOM 97 NE ARG A 10 13.275 5.312 -1.353 1.00 0.00 N ATOM 98 CZ ARG A 10 14.131 6.053 -2.046 1.00 0.00 C ATOM 99 NH1 ARG A 10 13.849 6.411 -3.291 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.274 6.440 -1.493 1.00 0.00 N ATOM 0 H ARG A 10 8.567 6.117 0.688 1.00 0.00 H new ATOM 0 HA ARG A 10 9.671 6.602 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.936 4.006 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.509 4.127 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.148 5.190 0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.209 3.501 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.163 3.963 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.570 5.612 -2.530 1.00 0.00 H new ATOM 0 HE ARG A 10 13.523 5.055 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.971 6.117 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.510 6.980 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.495 6.168 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.931 7.009 -2.026 1.00 0.00 H new ATOM 114 N PRO A 11 7.517 6.184 -3.251 1.00 0.00 N ATOM 115 CA PRO A 11 6.228 6.198 -3.949 1.00 0.00 C ATOM 116 C PRO A 11 5.571 4.823 -3.984 1.00 0.00 C ATOM 117 O PRO A 11 6.248 3.805 -4.132 1.00 0.00 O ATOM 118 CB PRO A 11 6.596 6.651 -5.364 1.00 0.00 C ATOM 119 CG PRO A 11 8.022 6.252 -5.530 1.00 0.00 C ATOM 120 CD PRO A 11 8.649 6.384 -4.170 1.00 0.00 C ATOM 0 HA PRO A 11 5.504 6.845 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.962 6.173 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.470 7.727 -5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.101 5.229 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.525 6.892 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.430 5.640 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.109 7.362 -4.033 1.00 0.00 H new ATOM 128 N PHE A 12 4.250 4.800 -3.846 1.00 0.00 N ATOM 129 CA PHE A 12 3.501 3.548 -3.860 1.00 0.00 C ATOM 130 C PHE A 12 2.142 3.736 -4.528 1.00 0.00 C ATOM 131 O PHE A 12 1.478 4.754 -4.334 1.00 0.00 O ATOM 132 CB PHE A 12 3.315 3.024 -2.436 1.00 0.00 C ATOM 133 CG PHE A 12 4.605 2.846 -1.688 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.581 1.984 -2.160 1.00 0.00 C ATOM 135 CD2 PHE A 12 4.842 3.542 -0.514 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.770 1.818 -1.476 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.030 3.380 0.175 1.00 0.00 C ATOM 138 CZ PHE A 12 6.994 2.517 -0.305 1.00 0.00 C ATOM 0 H PHE A 12 3.675 5.634 -3.723 1.00 0.00 H new ATOM 0 HA PHE A 12 4.071 2.818 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.677 3.714 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.792 2.068 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.411 1.435 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.091 4.218 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.523 1.143 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.203 3.929 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.921 2.388 0.233 1.00 0.00 H new ATOM 148 N ARG A 13 1.735 2.745 -5.315 1.00 0.00 N ATOM 149 CA ARG A 13 0.456 2.800 -6.013 1.00 0.00 C ATOM 150 C ARG A 13 -0.611 2.013 -5.257 1.00 0.00 C ATOM 151 O ARG A 13 -0.392 0.865 -4.872 1.00 0.00 O ATOM 152 CB ARG A 13 0.602 2.250 -7.433 1.00 0.00 C ATOM 153 CG ARG A 13 1.282 3.212 -8.392 1.00 0.00 C ATOM 154 CD ARG A 13 2.048 2.469 -9.477 1.00 0.00 C ATOM 155 NE ARG A 13 2.576 3.375 -10.493 1.00 0.00 N ATOM 156 CZ ARG A 13 1.844 3.879 -11.480 1.00 0.00 C ATOM 157 NH1 ARG A 13 0.560 3.568 -11.584 1.00 0.00 N ATOM 158 NH2 ARG A 13 2.397 4.698 -12.366 1.00 0.00 N ATOM 0 H ARG A 13 2.272 1.895 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 13 0.144 3.843 -6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.173 1.322 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.386 2.002 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.535 3.859 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.965 3.857 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.870 1.913 -9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.391 1.739 -9.949 1.00 0.00 H new ATOM 0 HE ARG A 13 3.561 3.635 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.131 2.940 -10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.001 3.957 -12.343 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.385 4.941 -12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.834 5.085 -13.124 1.00 0.00 H new ATOM 172 N VAL A 14 -1.765 2.639 -5.049 1.00 0.00 N ATOM 173 CA VAL A 14 -2.865 1.997 -4.340 1.00 0.00 C ATOM 174 C VAL A 14 -4.087 1.850 -5.239 1.00 0.00 C ATOM 175 O VAL A 14 -4.306 2.657 -6.143 1.00 0.00 O ATOM 176 CB VAL A 14 -3.260 2.791 -3.080 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.243 1.996 -2.234 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.025 3.158 -2.273 1.00 0.00 C ATOM 0 H VAL A 14 -1.962 3.590 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.516 1.008 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.749 3.714 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.510 2.573 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.140 1.789 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.783 1.056 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.323 3.718 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.505 2.249 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.360 3.770 -2.883 1.00 0.00 H new ATOM 188 N SER A 15 -4.882 0.816 -4.985 1.00 0.00 N ATOM 189 CA SER A 15 -6.081 0.561 -5.774 1.00 0.00 C ATOM 190 C SER A 15 -7.216 0.056 -4.889 1.00 0.00 C ATOM 191 O SER A 15 -6.999 -0.739 -3.974 1.00 0.00 O ATOM 192 CB SER A 15 -5.785 -0.459 -6.876 1.00 0.00 C ATOM 193 OG SER A 15 -5.099 0.145 -7.959 1.00 0.00 O ATOM 0 H SER A 15 -4.717 0.141 -4.238 1.00 0.00 H new ATOM 0 HA SER A 15 -6.391 1.500 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.185 -1.274 -6.470 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.718 -0.897 -7.231 1.00 0.00 H new ATOM 0 HG SER A 15 -5.565 0.965 -8.225 1.00 0.00 H new ATOM 199 N ASN A 16 -8.429 0.523 -5.168 1.00 0.00 N ATOM 200 CA ASN A 16 -9.599 0.119 -4.399 1.00 0.00 C ATOM 201 C ASN A 16 -9.897 -1.364 -4.597 1.00 0.00 C ATOM 202 O ASN A 16 -9.224 -2.045 -5.372 1.00 0.00 O ATOM 203 CB ASN A 16 -10.816 0.954 -4.805 1.00 0.00 C ATOM 204 CG ASN A 16 -11.311 0.614 -6.198 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.994 -0.446 -6.740 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.092 1.513 -6.784 1.00 0.00 N ATOM 0 H ASN A 16 -8.626 1.182 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.385 0.290 -3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.620 0.793 -4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.558 2.012 -4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.456 1.339 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.329 2.378 -6.297 1.00 0.00 H new ATOM 213 N HIS A 17 -10.909 -1.858 -3.892 1.00 0.00 N ATOM 214 CA HIS A 17 -11.298 -3.261 -3.991 1.00 0.00 C ATOM 215 C HIS A 17 -11.600 -3.640 -5.438 1.00 0.00 C ATOM 216 O HIS A 17 -11.212 -4.712 -5.903 1.00 0.00 O ATOM 217 CB HIS A 17 -12.518 -3.538 -3.113 1.00 0.00 C ATOM 218 CG HIS A 17 -13.679 -2.637 -3.400 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.701 -2.977 -4.259 1.00 0.00 N ATOM 220 CD2 HIS A 17 -13.977 -1.401 -2.934 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.577 -1.990 -4.312 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.161 -1.021 -3.516 1.00 0.00 N ATOM 0 H HIS A 17 -11.475 -1.308 -3.246 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.464 -3.869 -3.641 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.829 -4.573 -3.253 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.234 -3.429 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.392 -0.822 -2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.480 -1.977 -4.905 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.641 -0.135 -3.359 1.00 0.00 H new ATOM 231 N ASP A 18 -12.295 -2.754 -6.143 1.00 0.00 N ATOM 232 CA ASP A 18 -12.649 -2.995 -7.537 1.00 0.00 C ATOM 233 C ASP A 18 -11.471 -2.689 -8.458 1.00 0.00 C ATOM 234 O ASP A 18 -11.631 -2.599 -9.676 1.00 0.00 O ATOM 235 CB ASP A 18 -13.857 -2.145 -7.934 1.00 0.00 C ATOM 236 CG ASP A 18 -14.427 -2.541 -9.280 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.439 -3.751 -9.587 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.862 -1.640 -10.028 1.00 0.00 O ATOM 0 H ASP A 18 -12.624 -1.863 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.906 -4.049 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.631 -2.241 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.565 -1.095 -7.961 1.00 0.00 H new ATOM 243 N ARG A 19 -10.292 -2.530 -7.868 1.00 0.00 N ATOM 244 CA ARG A 19 -9.088 -2.231 -8.636 1.00 0.00 C ATOM 245 C ARG A 19 -9.404 -1.302 -9.804 1.00 0.00 C ATOM 246 O ARG A 19 -9.012 -1.562 -10.941 1.00 0.00 O ATOM 247 CB ARG A 19 -8.455 -3.523 -9.154 1.00 0.00 C ATOM 248 CG ARG A 19 -7.797 -4.358 -8.069 1.00 0.00 C ATOM 249 CD ARG A 19 -7.225 -5.651 -8.629 1.00 0.00 C ATOM 250 NE ARG A 19 -6.262 -5.406 -9.698 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.393 -6.314 -10.128 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.368 -7.522 -9.582 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.548 -6.014 -11.105 1.00 0.00 N ATOM 0 H ARG A 19 -10.144 -2.603 -6.862 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.382 -1.728 -7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.222 -4.121 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.711 -3.275 -9.911 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.001 -3.781 -7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.527 -4.588 -7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.742 -6.211 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.037 -6.272 -9.008 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.256 -4.486 -10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.017 -7.755 -8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.700 -8.218 -9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.565 -5.085 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.881 -6.712 -11.435 1.00 0.00 H new ATOM 267 N SER A 20 -10.117 -0.218 -9.514 1.00 0.00 N ATOM 268 CA SER A 20 -10.491 0.748 -10.541 1.00 0.00 C ATOM 269 C SER A 20 -9.813 2.093 -10.293 1.00 0.00 C ATOM 270 O SER A 20 -9.439 2.794 -11.233 1.00 0.00 O ATOM 271 CB SER A 20 -12.009 0.927 -10.574 1.00 0.00 C ATOM 272 OG SER A 20 -12.419 1.584 -11.762 1.00 0.00 O ATOM 0 H SER A 20 -10.447 0.013 -8.577 1.00 0.00 H new ATOM 0 HA SER A 20 -10.157 0.365 -11.505 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.495 -0.046 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.329 1.504 -9.706 1.00 0.00 H new ATOM 0 HG SER A 20 -13.394 1.685 -11.760 1.00 0.00 H new ATOM 278 N SER A 21 -9.661 2.446 -9.022 1.00 0.00 N ATOM 279 CA SER A 21 -9.032 3.708 -8.648 1.00 0.00 C ATOM 280 C SER A 21 -7.525 3.537 -8.482 1.00 0.00 C ATOM 281 O SER A 21 -7.051 2.474 -8.080 1.00 0.00 O ATOM 282 CB SER A 21 -9.643 4.243 -7.352 1.00 0.00 C ATOM 283 OG SER A 21 -10.907 4.834 -7.590 1.00 0.00 O ATOM 0 H SER A 21 -9.965 1.876 -8.232 1.00 0.00 H new ATOM 0 HA SER A 21 -9.212 4.426 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.748 3.430 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.973 4.978 -6.907 1.00 0.00 H new ATOM 0 HG SER A 21 -11.277 5.166 -6.746 1.00 0.00 H new ATOM 289 N ARG A 22 -6.779 4.591 -8.795 1.00 0.00 N ATOM 290 CA ARG A 22 -5.325 4.558 -8.681 1.00 0.00 C ATOM 291 C ARG A 22 -4.804 5.819 -8.000 1.00 0.00 C ATOM 292 O ARG A 22 -4.909 6.919 -8.544 1.00 0.00 O ATOM 293 CB ARG A 22 -4.688 4.411 -10.064 1.00 0.00 C ATOM 294 CG ARG A 22 -5.181 3.199 -10.837 1.00 0.00 C ATOM 295 CD ARG A 22 -5.146 3.444 -12.338 1.00 0.00 C ATOM 296 NE ARG A 22 -5.166 2.195 -13.095 1.00 0.00 N ATOM 297 CZ ARG A 22 -4.902 2.121 -14.396 1.00 0.00 C ATOM 298 NH1 ARG A 22 -4.599 3.217 -15.077 1.00 0.00 N ATOM 299 NH2 ARG A 22 -4.940 0.949 -15.015 1.00 0.00 N ATOM 0 H ARG A 22 -7.156 5.478 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.053 3.698 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.892 5.310 -10.646 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.606 4.343 -9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.563 2.335 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.199 2.959 -10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.001 4.056 -12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.249 4.008 -12.593 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.395 1.334 -12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.568 4.120 -14.603 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.397 3.158 -16.075 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.172 0.104 -14.493 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.737 0.893 -16.013 1.00 0.00 H new ATOM 313 N ARG A 23 -4.242 5.653 -6.807 1.00 0.00 N ATOM 314 CA ARG A 23 -3.707 6.778 -6.051 1.00 0.00 C ATOM 315 C ARG A 23 -2.275 6.500 -5.603 1.00 0.00 C ATOM 316 O ARG A 23 -1.961 5.408 -5.134 1.00 0.00 O ATOM 317 CB ARG A 23 -4.586 7.067 -4.833 1.00 0.00 C ATOM 318 CG ARG A 23 -4.582 8.527 -4.410 1.00 0.00 C ATOM 319 CD ARG A 23 -3.391 8.846 -3.521 1.00 0.00 C ATOM 320 NE ARG A 23 -2.951 10.231 -3.670 1.00 0.00 N ATOM 321 CZ ARG A 23 -3.686 11.278 -3.309 1.00 0.00 C ATOM 322 NH1 ARG A 23 -4.888 11.099 -2.781 1.00 0.00 N ATOM 323 NH2 ARG A 23 -3.216 12.508 -3.477 1.00 0.00 N ATOM 0 H ARG A 23 -4.146 4.750 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.703 7.652 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.610 6.765 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.247 6.455 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.558 9.163 -5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.506 8.755 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.656 8.660 -2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.567 8.176 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.030 10.404 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.252 10.155 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.449 11.905 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.291 12.649 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.780 13.312 -3.200 1.00 0.00 H new ATOM 337 N GLY A 24 -1.408 7.499 -5.753 1.00 0.00 N ATOM 338 CA GLY A 24 -0.021 7.341 -5.361 1.00 0.00 C ATOM 339 C GLY A 24 0.300 8.056 -4.063 1.00 0.00 C ATOM 340 O GLY A 24 0.245 9.284 -3.992 1.00 0.00 O ATOM 0 H GLY A 24 -1.643 8.413 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.204 6.280 -5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.623 7.725 -6.152 1.00 0.00 H new ATOM 344 N VAL A 25 0.633 7.286 -3.032 1.00 0.00 N ATOM 345 CA VAL A 25 0.963 7.853 -1.730 1.00 0.00 C ATOM 346 C VAL A 25 2.442 7.673 -1.410 1.00 0.00 C ATOM 347 O VAL A 25 3.073 6.717 -1.861 1.00 0.00 O ATOM 348 CB VAL A 25 0.125 7.207 -0.609 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.505 7.789 0.743 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.360 7.392 -0.881 1.00 0.00 C ATOM 0 H VAL A 25 0.681 6.268 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 25 0.733 8.917 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 25 0.337 6.138 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.097 7.321 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.561 7.600 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.324 8.864 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.937 6.930 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.592 8.456 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.617 6.923 -1.831 1.00 0.00 H new ATOM 360 N MET A 26 2.991 8.599 -0.631 1.00 0.00 N ATOM 361 CA MET A 26 4.397 8.542 -0.250 1.00 0.00 C ATOM 362 C MET A 26 4.545 8.294 1.248 1.00 0.00 C ATOM 363 O MET A 26 3.973 9.014 2.065 1.00 0.00 O ATOM 364 CB MET A 26 5.105 9.843 -0.635 1.00 0.00 C ATOM 365 CG MET A 26 5.381 9.967 -2.125 1.00 0.00 C ATOM 366 SD MET A 26 6.832 10.976 -2.482 1.00 0.00 S ATOM 367 CE MET A 26 8.129 9.742 -2.407 1.00 0.00 C ATOM 0 H MET A 26 2.483 9.398 -0.251 1.00 0.00 H new ATOM 0 HA MET A 26 4.859 7.713 -0.785 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.495 10.688 -0.315 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.048 9.908 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.522 8.972 -2.548 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.511 10.402 -2.617 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.004 10.163 -1.912 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.776 8.877 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.397 9.434 -3.418 1.00 0.00 H new ATOM 377 N ALA A 27 5.316 7.270 1.599 1.00 0.00 N ATOM 378 CA ALA A 27 5.540 6.928 2.998 1.00 0.00 C ATOM 379 C ALA A 27 6.895 6.256 3.188 1.00 0.00 C ATOM 380 O ALA A 27 7.321 5.449 2.362 1.00 0.00 O ATOM 381 CB ALA A 27 4.425 6.026 3.506 1.00 0.00 C ATOM 0 H ALA A 27 5.796 6.663 0.934 1.00 0.00 H new ATOM 0 HA ALA A 27 5.537 7.851 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.605 5.779 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.469 6.542 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.400 5.110 2.916 1.00 0.00 H new ATOM 387 N SER A 28 7.569 6.593 4.283 1.00 0.00 N ATOM 388 CA SER A 28 8.879 6.025 4.580 1.00 0.00 C ATOM 389 C SER A 28 8.756 4.560 4.986 1.00 0.00 C ATOM 390 O SER A 28 9.584 3.729 4.610 1.00 0.00 O ATOM 391 CB SER A 28 9.563 6.820 5.695 1.00 0.00 C ATOM 392 OG SER A 28 8.967 6.549 6.952 1.00 0.00 O ATOM 0 H SER A 28 7.230 7.257 4.979 1.00 0.00 H new ATOM 0 HA SER A 28 9.486 6.084 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.623 6.567 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.496 7.886 5.479 1.00 0.00 H new ATOM 0 HG SER A 28 8.106 7.014 7.013 1.00 0.00 H new ATOM 398 N SER A 29 7.719 4.250 5.756 1.00 0.00 N ATOM 399 CA SER A 29 7.489 2.887 6.218 1.00 0.00 C ATOM 400 C SER A 29 6.090 2.413 5.835 1.00 0.00 C ATOM 401 O SER A 29 5.352 3.113 5.141 1.00 0.00 O ATOM 402 CB SER A 29 7.671 2.801 7.734 1.00 0.00 C ATOM 403 OG SER A 29 8.745 3.618 8.165 1.00 0.00 O ATOM 0 H SER A 29 7.024 4.925 6.074 1.00 0.00 H new ATOM 0 HA SER A 29 8.220 2.238 5.735 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.752 3.110 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.858 1.767 8.023 1.00 0.00 H new ATOM 0 HG SER A 29 8.840 3.547 9.138 1.00 0.00 H new ATOM 409 N LEU A 30 5.732 1.218 6.292 1.00 0.00 N ATOM 410 CA LEU A 30 4.421 0.648 6.000 1.00 0.00 C ATOM 411 C LEU A 30 3.335 1.323 6.831 1.00 0.00 C ATOM 412 O LEU A 30 2.382 1.881 6.288 1.00 0.00 O ATOM 413 CB LEU A 30 4.425 -0.857 6.270 1.00 0.00 C ATOM 414 CG LEU A 30 3.054 -1.529 6.351 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.569 -1.920 4.964 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.109 -2.748 7.261 1.00 0.00 C ATOM 0 H LEU A 30 6.331 0.625 6.866 1.00 0.00 H new ATOM 0 HA LEU A 30 4.205 0.821 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.001 -1.345 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.951 -1.036 7.208 1.00 0.00 H new ATOM 0 HG LEU A 30 2.346 -0.816 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.592 -2.397 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.490 -1.029 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.277 -2.615 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.124 -3.213 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.831 -3.464 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.412 -2.441 8.262 1.00 0.00 H new ATOM 428 N GLN A 31 3.488 1.270 8.151 1.00 0.00 N ATOM 429 CA GLN A 31 2.521 1.878 9.056 1.00 0.00 C ATOM 430 C GLN A 31 2.116 3.265 8.569 1.00 0.00 C ATOM 431 O GLN A 31 0.933 3.603 8.543 1.00 0.00 O ATOM 432 CB GLN A 31 3.101 1.969 10.469 1.00 0.00 C ATOM 433 CG GLN A 31 2.157 2.607 11.474 1.00 0.00 C ATOM 434 CD GLN A 31 1.222 1.601 12.118 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.600 0.896 13.054 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.005 1.528 11.618 1.00 0.00 N ATOM 0 H GLN A 31 4.272 0.812 8.616 1.00 0.00 H new ATOM 0 HA GLN A 31 1.633 1.247 9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.360 0.967 10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.026 2.544 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.740 3.104 12.250 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.568 3.377 10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.276 2.131 10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.677 0.868 12.010 1.00 0.00 H new ATOM 445 N GLU A 32 3.106 4.064 8.185 1.00 0.00 N ATOM 446 CA GLU A 32 2.852 5.416 7.700 1.00 0.00 C ATOM 447 C GLU A 32 1.958 5.391 6.463 1.00 0.00 C ATOM 448 O GLU A 32 1.051 6.213 6.323 1.00 0.00 O ATOM 449 CB GLU A 32 4.171 6.121 7.375 1.00 0.00 C ATOM 450 CG GLU A 32 3.988 7.470 6.699 1.00 0.00 C ATOM 451 CD GLU A 32 5.116 8.435 7.008 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.253 7.966 7.230 1.00 0.00 O ATOM 453 OE2 GLU A 32 4.864 9.657 7.028 1.00 0.00 O ATOM 0 H GLU A 32 4.091 3.799 8.200 1.00 0.00 H new ATOM 0 HA GLU A 32 2.338 5.967 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.736 6.259 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.768 5.478 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.923 7.326 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.042 7.908 7.019 1.00 0.00 H new ATOM 460 N LEU A 33 2.219 4.444 5.570 1.00 0.00 N ATOM 461 CA LEU A 33 1.440 4.311 4.345 1.00 0.00 C ATOM 462 C LEU A 33 -0.019 3.999 4.659 1.00 0.00 C ATOM 463 O LEU A 33 -0.906 4.817 4.416 1.00 0.00 O ATOM 464 CB LEU A 33 2.029 3.212 3.459 1.00 0.00 C ATOM 465 CG LEU A 33 1.232 2.866 2.199 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.130 1.871 2.522 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.651 4.126 1.574 1.00 0.00 C ATOM 0 H LEU A 33 2.965 3.756 5.671 1.00 0.00 H new ATOM 0 HA LEU A 33 1.483 5.261 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.032 3.514 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.134 2.307 4.058 1.00 0.00 H new ATOM 0 HG LEU A 33 1.908 2.406 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.426 1.637 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.570 0.958 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.546 2.303 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.087 3.862 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.011 4.615 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.460 4.805 1.306 1.00 0.00 H new ATOM 479 N ILE A 34 -0.261 2.810 5.204 1.00 0.00 N ATOM 480 CA ILE A 34 -1.612 2.392 5.554 1.00 0.00 C ATOM 481 C ILE A 34 -2.422 3.557 6.111 1.00 0.00 C ATOM 482 O ILE A 34 -3.530 3.833 5.651 1.00 0.00 O ATOM 483 CB ILE A 34 -1.597 1.251 6.590 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.016 -0.022 5.971 1.00 0.00 C ATOM 485 CG2 ILE A 34 -3.001 0.997 7.118 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.614 -1.062 6.992 1.00 0.00 C ATOM 0 H ILE A 34 0.461 2.121 5.412 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.079 2.034 4.636 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.964 1.547 7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.752 -0.455 5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.145 0.241 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.974 0.189 7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.381 1.902 7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.655 0.718 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.211 -1.936 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.145 -0.647 7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.486 -1.354 7.577 1.00 0.00 H new ATOM 498 N SER A 35 -1.860 4.240 7.103 1.00 0.00 N ATOM 499 CA SER A 35 -2.530 5.377 7.725 1.00 0.00 C ATOM 500 C SER A 35 -2.830 6.461 6.694 1.00 0.00 C ATOM 501 O SER A 35 -3.858 7.135 6.765 1.00 0.00 O ATOM 502 CB SER A 35 -1.669 5.951 8.851 1.00 0.00 C ATOM 503 OG SER A 35 -2.153 7.216 9.269 1.00 0.00 O ATOM 0 H SER A 35 -0.942 4.026 7.494 1.00 0.00 H new ATOM 0 HA SER A 35 -3.474 5.027 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.664 5.263 9.696 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.638 6.047 8.512 1.00 0.00 H new ATOM 0 HG SER A 35 -1.587 7.561 9.990 1.00 0.00 H new ATOM 509 N LYS A 36 -1.924 6.624 5.735 1.00 0.00 N ATOM 510 CA LYS A 36 -2.090 7.623 4.688 1.00 0.00 C ATOM 511 C LYS A 36 -3.205 7.226 3.726 1.00 0.00 C ATOM 512 O LYS A 36 -4.174 7.963 3.543 1.00 0.00 O ATOM 513 CB LYS A 36 -0.779 7.807 3.918 1.00 0.00 C ATOM 514 CG LYS A 36 0.207 8.733 4.609 1.00 0.00 C ATOM 515 CD LYS A 36 1.214 9.307 3.627 1.00 0.00 C ATOM 516 CE LYS A 36 1.833 10.595 4.152 1.00 0.00 C ATOM 517 NZ LYS A 36 0.971 11.777 3.872 1.00 0.00 N ATOM 0 H LYS A 36 -1.067 6.076 5.662 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.363 8.566 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.311 6.833 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.002 8.202 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.334 9.546 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.732 8.187 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.999 8.575 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.724 9.500 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.994 10.509 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.811 10.742 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.426 12.635 4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.838 11.874 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.046 11.649 4.331 1.00 0.00 H new ATOM 531 N THR A 37 -3.063 6.054 3.115 1.00 0.00 N ATOM 532 CA THR A 37 -4.058 5.558 2.172 1.00 0.00 C ATOM 533 C THR A 37 -5.471 5.877 2.647 1.00 0.00 C ATOM 534 O THR A 37 -6.305 6.351 1.872 1.00 0.00 O ATOM 535 CB THR A 37 -3.928 4.038 1.968 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.568 3.696 1.677 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.828 3.565 0.835 1.00 0.00 C ATOM 0 H THR A 37 -2.268 5.430 3.256 1.00 0.00 H new ATOM 0 HA THR A 37 -3.874 6.061 1.223 1.00 0.00 H new ATOM 0 HB THR A 37 -4.237 3.543 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.494 2.727 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.719 2.488 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.866 3.800 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.545 4.068 -0.089 1.00 0.00 H new ATOM 545 N LEU A 38 -5.735 5.617 3.922 1.00 0.00 N ATOM 546 CA LEU A 38 -7.049 5.878 4.500 1.00 0.00 C ATOM 547 C LEU A 38 -7.452 7.336 4.301 1.00 0.00 C ATOM 548 O LEU A 38 -8.581 7.630 3.911 1.00 0.00 O ATOM 549 CB LEU A 38 -7.049 5.535 5.990 1.00 0.00 C ATOM 550 CG LEU A 38 -7.288 4.065 6.341 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.665 3.730 7.687 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.777 3.755 6.347 1.00 0.00 C ATOM 0 H LEU A 38 -5.057 5.226 4.576 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.776 5.247 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.090 5.837 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.816 6.134 6.480 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.812 3.446 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.845 2.681 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.591 3.914 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.111 4.355 8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.929 2.705 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.276 4.381 7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.194 3.956 5.360 1.00 0.00 H new ATOM 564 N ASP A 39 -6.520 8.243 4.572 1.00 0.00 N ATOM 565 CA ASP A 39 -6.776 9.670 4.420 1.00 0.00 C ATOM 566 C ASP A 39 -6.880 10.050 2.946 1.00 0.00 C ATOM 567 O ASP A 39 -7.801 10.760 2.542 1.00 0.00 O ATOM 568 CB ASP A 39 -5.668 10.483 5.092 1.00 0.00 C ATOM 569 CG ASP A 39 -6.078 11.919 5.350 1.00 0.00 C ATOM 570 OD1 ASP A 39 -6.914 12.146 6.251 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.564 12.818 4.651 1.00 0.00 O ATOM 0 H ASP A 39 -5.581 8.015 4.898 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.727 9.897 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.397 10.011 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.779 10.470 4.462 1.00 0.00 H new ATOM 576 N ALA A 40 -5.929 9.575 2.149 1.00 0.00 N ATOM 577 CA ALA A 40 -5.914 9.864 0.720 1.00 0.00 C ATOM 578 C ALA A 40 -7.199 9.388 0.051 1.00 0.00 C ATOM 579 O ALA A 40 -7.961 10.188 -0.494 1.00 0.00 O ATOM 580 CB ALA A 40 -4.704 9.216 0.064 1.00 0.00 C ATOM 0 H ALA A 40 -5.158 8.988 2.469 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.848 10.945 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.705 9.440 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.792 9.607 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.746 8.136 0.208 1.00 0.00 H new ATOM 586 N LEU A 41 -7.435 8.081 0.094 1.00 0.00 N ATOM 587 CA LEU A 41 -8.628 7.498 -0.509 1.00 0.00 C ATOM 588 C LEU A 41 -9.890 7.996 0.190 1.00 0.00 C ATOM 589 O LEU A 41 -10.984 7.948 -0.373 1.00 0.00 O ATOM 590 CB LEU A 41 -8.564 5.972 -0.442 1.00 0.00 C ATOM 591 CG LEU A 41 -7.894 5.276 -1.628 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.665 3.803 -1.323 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.734 5.438 -2.885 1.00 0.00 C ATOM 0 H LEU A 41 -6.815 7.405 0.541 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.666 7.808 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.032 5.690 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.580 5.589 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.925 5.745 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.188 3.324 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.022 3.708 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.621 3.320 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.242 4.937 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.717 4.996 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.846 6.498 -3.114 1.00 0.00 H new ATOM 605 N VAL A 42 -9.730 8.476 1.419 1.00 0.00 N ATOM 606 CA VAL A 42 -10.855 8.986 2.193 1.00 0.00 C ATOM 607 C VAL A 42 -11.890 7.894 2.443 1.00 0.00 C ATOM 608 O VAL A 42 -13.087 8.105 2.253 1.00 0.00 O ATOM 609 CB VAL A 42 -11.535 10.169 1.481 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.528 10.853 2.409 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.495 11.158 0.978 1.00 0.00 C ATOM 0 H VAL A 42 -8.832 8.522 1.900 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.454 9.328 3.147 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.084 9.785 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.998 11.687 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.292 10.138 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.006 11.225 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.994 11.988 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.916 11.538 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.828 10.659 0.275 1.00 0.00 H new ATOM 621 N ILE A 43 -11.419 6.727 2.872 1.00 0.00 N ATOM 622 CA ILE A 43 -12.304 5.603 3.151 1.00 0.00 C ATOM 623 C ILE A 43 -13.296 5.946 4.256 1.00 0.00 C ATOM 624 O ILE A 43 -12.992 6.726 5.158 1.00 0.00 O ATOM 625 CB ILE A 43 -11.509 4.349 3.559 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.605 3.895 2.411 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.457 3.232 3.969 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.540 2.909 2.835 1.00 0.00 C ATOM 0 H ILE A 43 -10.430 6.536 3.034 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.849 5.393 2.230 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.880 4.597 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.219 3.442 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.125 4.769 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.881 2.352 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.062 3.560 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.109 2.982 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.937 2.631 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.902 3.366 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.013 2.018 3.249 1.00 0.00 H new ATOM 640 N ALA A 44 -14.485 5.355 4.180 1.00 0.00 N ATOM 641 CA ALA A 44 -15.522 5.594 5.177 1.00 0.00 C ATOM 642 C ALA A 44 -15.070 5.135 6.560 1.00 0.00 C ATOM 643 O ALA A 44 -14.947 5.940 7.483 1.00 0.00 O ATOM 644 CB ALA A 44 -16.809 4.889 4.779 1.00 0.00 C ATOM 0 H ALA A 44 -14.753 4.708 3.439 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.708 6.667 5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.574 5.076 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.148 5.268 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.628 3.817 4.704 1.00 0.00 H new ATOM 650 N THR A 45 -14.825 3.835 6.696 1.00 0.00 N ATOM 651 CA THR A 45 -14.389 3.269 7.966 1.00 0.00 C ATOM 652 C THR A 45 -12.880 3.052 7.982 1.00 0.00 C ATOM 653 O THR A 45 -12.224 3.108 6.943 1.00 0.00 O ATOM 654 CB THR A 45 -15.092 1.929 8.254 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.765 1.478 9.573 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.685 0.874 7.237 1.00 0.00 C ATOM 0 H THR A 45 -14.921 3.155 5.942 1.00 0.00 H new ATOM 0 HA THR A 45 -14.658 3.986 8.741 1.00 0.00 H new ATOM 0 HB THR A 45 -16.168 2.086 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.217 0.627 9.749 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.194 -0.063 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.962 1.207 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.607 0.721 7.283 1.00 0.00 H new ATOM 664 N GLY A 46 -12.335 2.802 9.169 1.00 0.00 N ATOM 665 CA GLY A 46 -10.907 2.579 9.298 1.00 0.00 C ATOM 666 C GLY A 46 -10.534 1.117 9.163 1.00 0.00 C ATOM 667 O GLY A 46 -9.552 0.778 8.500 1.00 0.00 O ATOM 0 H GLY A 46 -12.857 2.750 10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.382 3.156 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.571 2.949 10.267 1.00 0.00 H new ATOM 671 N LEU A 47 -11.317 0.247 9.792 1.00 0.00 N ATOM 672 CA LEU A 47 -11.062 -1.189 9.741 1.00 0.00 C ATOM 673 C LEU A 47 -10.808 -1.645 8.307 1.00 0.00 C ATOM 674 O LEU A 47 -11.745 -1.876 7.543 1.00 0.00 O ATOM 675 CB LEU A 47 -12.245 -1.957 10.330 1.00 0.00 C ATOM 676 CG LEU A 47 -11.936 -3.354 10.868 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.427 -4.255 9.754 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.921 -3.278 12.001 1.00 0.00 C ATOM 0 H LEU A 47 -12.134 0.511 10.343 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.171 -1.397 10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.671 -1.364 11.139 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.013 -2.047 9.562 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.858 -3.782 11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.212 -5.245 10.156 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.186 -4.336 8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.517 -3.831 9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.713 -4.282 12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.998 -2.829 11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.324 -2.669 12.810 1.00 0.00 H new ATOM 690 N VAL A 48 -9.534 -1.774 7.950 1.00 0.00 N ATOM 691 CA VAL A 48 -9.156 -2.207 6.610 1.00 0.00 C ATOM 692 C VAL A 48 -7.909 -3.083 6.647 1.00 0.00 C ATOM 693 O VAL A 48 -7.218 -3.156 7.663 1.00 0.00 O ATOM 694 CB VAL A 48 -8.897 -1.003 5.684 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.163 -0.176 5.518 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.761 -0.150 6.225 1.00 0.00 C ATOM 0 H VAL A 48 -8.746 -1.585 8.570 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.992 -2.786 6.217 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.604 -1.377 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.961 0.670 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.947 -0.795 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.489 0.190 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.592 0.696 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.022 0.217 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.853 -0.750 6.287 1.00 0.00 H new ATOM 706 N THR A 49 -7.626 -3.747 5.530 1.00 0.00 N ATOM 707 CA THR A 49 -6.462 -4.619 5.434 1.00 0.00 C ATOM 708 C THR A 49 -5.677 -4.349 4.155 1.00 0.00 C ATOM 709 O THR A 49 -6.233 -4.368 3.056 1.00 0.00 O ATOM 710 CB THR A 49 -6.869 -6.104 5.468 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.496 -6.411 6.718 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.657 -7.002 5.269 1.00 0.00 C ATOM 0 H THR A 49 -8.187 -3.697 4.680 1.00 0.00 H new ATOM 0 HA THR A 49 -5.832 -4.402 6.297 1.00 0.00 H new ATOM 0 HB THR A 49 -7.572 -6.284 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.753 -7.356 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.969 -8.046 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.199 -6.786 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.934 -6.818 6.063 1.00 0.00 H new ATOM 720 N LEU A 50 -4.381 -4.097 4.305 1.00 0.00 N ATOM 721 CA LEU A 50 -3.518 -3.823 3.162 1.00 0.00 C ATOM 722 C LEU A 50 -2.901 -5.111 2.624 1.00 0.00 C ATOM 723 O LEU A 50 -2.341 -5.906 3.379 1.00 0.00 O ATOM 724 CB LEU A 50 -2.412 -2.841 3.555 1.00 0.00 C ATOM 725 CG LEU A 50 -1.835 -1.991 2.423 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.818 -0.904 2.017 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.505 -1.381 2.839 1.00 0.00 C ATOM 0 H LEU A 50 -3.905 -4.077 5.207 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.129 -3.378 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.803 -2.172 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.598 -3.405 4.010 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.663 -2.636 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.390 -0.309 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.747 -1.362 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.023 -0.261 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.109 -0.779 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.652 -0.750 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.201 -2.176 3.079 1.00 0.00 H new ATOM 739 N VAL A 51 -3.006 -5.309 1.314 1.00 0.00 N ATOM 740 CA VAL A 51 -2.456 -6.498 0.674 1.00 0.00 C ATOM 741 C VAL A 51 -1.904 -6.172 -0.709 1.00 0.00 C ATOM 742 O VAL A 51 -2.269 -5.163 -1.313 1.00 0.00 O ATOM 743 CB VAL A 51 -3.518 -7.606 0.542 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.281 -7.772 1.848 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.468 -7.300 -0.605 1.00 0.00 C ATOM 0 H VAL A 51 -3.467 -4.661 0.675 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.646 -6.854 1.311 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.012 -8.546 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.027 -8.559 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.586 -8.041 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.777 -6.835 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.211 -8.093 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.969 -6.350 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.905 -7.237 -1.536 1.00 0.00 H new ATOM 755 N LEU A 52 -1.022 -7.033 -1.205 1.00 0.00 N ATOM 756 CA LEU A 52 -0.418 -6.837 -2.519 1.00 0.00 C ATOM 757 C LEU A 52 -1.463 -6.969 -3.623 1.00 0.00 C ATOM 758 O LEU A 52 -2.210 -7.945 -3.670 1.00 0.00 O ATOM 759 CB LEU A 52 0.706 -7.852 -2.742 1.00 0.00 C ATOM 760 CG LEU A 52 2.049 -7.517 -2.092 1.00 0.00 C ATOM 761 CD1 LEU A 52 3.045 -8.644 -2.317 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.593 -6.205 -2.639 1.00 0.00 C ATOM 0 H LEU A 52 -0.709 -7.873 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.003 -5.830 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.374 -8.820 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.862 -7.962 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 52 1.895 -7.404 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.995 -8.389 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.659 -9.564 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.196 -8.788 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.549 -5.982 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.733 -6.290 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.887 -5.402 -2.427 1.00 0.00 H new ATOM 774 N GLU A 53 -1.505 -5.980 -4.510 1.00 0.00 N ATOM 775 CA GLU A 53 -2.457 -5.986 -5.614 1.00 0.00 C ATOM 776 C GLU A 53 -2.003 -6.935 -6.719 1.00 0.00 C ATOM 777 O GLU A 53 -2.564 -6.944 -7.814 1.00 0.00 O ATOM 778 CB GLU A 53 -2.626 -4.573 -6.179 1.00 0.00 C ATOM 779 CG GLU A 53 -4.005 -4.313 -6.763 1.00 0.00 C ATOM 780 CD GLU A 53 -3.981 -3.288 -7.881 1.00 0.00 C ATOM 781 OE1 GLU A 53 -3.293 -2.257 -7.723 1.00 0.00 O ATOM 782 OE2 GLU A 53 -4.647 -3.516 -8.910 1.00 0.00 O ATOM 0 H GLU A 53 -0.892 -5.165 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.416 -6.334 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.433 -3.849 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.876 -4.408 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.418 -5.248 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.671 -3.967 -5.972 1.00 0.00 H new ATOM 789 N GLU A 54 -0.981 -7.733 -6.423 1.00 0.00 N ATOM 790 CA GLU A 54 -0.450 -8.685 -7.391 1.00 0.00 C ATOM 791 C GLU A 54 -0.781 -10.118 -6.983 1.00 0.00 C ATOM 792 O GLU A 54 -1.162 -10.939 -7.817 1.00 0.00 O ATOM 793 CB GLU A 54 1.065 -8.519 -7.525 1.00 0.00 C ATOM 794 CG GLU A 54 1.802 -8.559 -6.197 1.00 0.00 C ATOM 795 CD GLU A 54 3.306 -8.661 -6.366 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.948 -7.616 -6.598 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.839 -9.786 -6.267 1.00 0.00 O ATOM 0 H GLU A 54 -0.505 -7.739 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.917 -8.482 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.453 -9.308 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.276 -7.571 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.564 -7.661 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.447 -9.409 -5.615 1.00 0.00 H new ATOM 804 N ASP A 55 -0.634 -10.409 -5.696 1.00 0.00 N ATOM 805 CA ASP A 55 -0.917 -11.742 -5.176 1.00 0.00 C ATOM 806 C ASP A 55 -1.915 -11.674 -4.024 1.00 0.00 C ATOM 807 O ASP A 55 -2.389 -12.701 -3.539 1.00 0.00 O ATOM 808 CB ASP A 55 0.374 -12.416 -4.710 1.00 0.00 C ATOM 809 CG ASP A 55 1.126 -13.077 -5.848 1.00 0.00 C ATOM 810 OD1 ASP A 55 1.939 -12.388 -6.501 1.00 0.00 O ATOM 811 OD2 ASP A 55 0.903 -14.282 -6.086 1.00 0.00 O ATOM 0 H ASP A 55 -0.320 -9.740 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.356 -12.333 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.017 -11.674 -4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.137 -13.163 -3.953 1.00 0.00 H new ATOM 816 N GLY A 56 -2.229 -10.458 -3.589 1.00 0.00 N ATOM 817 CA GLY A 56 -3.168 -10.279 -2.498 1.00 0.00 C ATOM 818 C GLY A 56 -2.567 -10.637 -1.153 1.00 0.00 C ATOM 819 O GLY A 56 -3.286 -10.991 -0.217 1.00 0.00 O ATOM 0 H GLY A 56 -1.849 -9.593 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.504 -9.242 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.049 -10.896 -2.675 1.00 0.00 H new ATOM 823 N THR A 57 -1.245 -10.547 -1.054 1.00 0.00 N ATOM 824 CA THR A 57 -0.547 -10.865 0.185 1.00 0.00 C ATOM 825 C THR A 57 -0.617 -9.705 1.170 1.00 0.00 C ATOM 826 O THR A 57 -0.183 -8.593 0.869 1.00 0.00 O ATOM 827 CB THR A 57 0.930 -11.214 -0.076 1.00 0.00 C ATOM 828 OG1 THR A 57 1.020 -12.330 -0.969 1.00 0.00 O ATOM 829 CG2 THR A 57 1.647 -11.542 1.226 1.00 0.00 C ATOM 0 H THR A 57 -0.635 -10.256 -1.818 1.00 0.00 H new ATOM 0 HA THR A 57 -1.047 -11.733 0.615 1.00 0.00 H new ATOM 0 HB THR A 57 1.410 -10.347 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.962 -12.544 -1.131 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.689 -11.785 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.603 -10.681 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.164 -12.395 1.702 1.00 0.00 H new ATOM 837 N VAL A 58 -1.166 -9.970 2.352 1.00 0.00 N ATOM 838 CA VAL A 58 -1.292 -8.946 3.383 1.00 0.00 C ATOM 839 C VAL A 58 0.068 -8.601 3.982 1.00 0.00 C ATOM 840 O VAL A 58 0.799 -9.480 4.439 1.00 0.00 O ATOM 841 CB VAL A 58 -2.237 -9.400 4.511 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.719 -10.673 5.164 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.406 -8.293 5.542 1.00 0.00 C ATOM 0 H VAL A 58 -1.530 -10.885 2.619 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.710 -8.061 2.903 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.214 -9.615 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.400 -10.978 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.655 -11.465 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.730 -10.490 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.077 -8.631 6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.436 -8.045 5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.827 -7.410 5.062 1.00 0.00 H new ATOM 853 N VAL A 59 0.399 -7.314 3.978 1.00 0.00 N ATOM 854 CA VAL A 59 1.670 -6.851 4.523 1.00 0.00 C ATOM 855 C VAL A 59 1.488 -6.262 5.917 1.00 0.00 C ATOM 856 O VAL A 59 0.982 -5.151 6.072 1.00 0.00 O ATOM 857 CB VAL A 59 2.319 -5.792 3.611 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.635 -5.311 4.203 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.526 -6.350 2.211 1.00 0.00 C ATOM 0 H VAL A 59 -0.195 -6.574 3.604 1.00 0.00 H new ATOM 0 HA VAL A 59 2.325 -7.720 4.582 1.00 0.00 H new ATOM 0 HB VAL A 59 1.647 -4.937 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.078 -4.564 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.453 -4.870 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.318 -6.155 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.985 -5.589 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.178 -7.222 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.564 -6.639 1.789 1.00 0.00 H new ATOM 869 N ASP A 60 1.906 -7.014 6.929 1.00 0.00 N ATOM 870 CA ASP A 60 1.792 -6.566 8.313 1.00 0.00 C ATOM 871 C ASP A 60 3.168 -6.438 8.958 1.00 0.00 C ATOM 872 O ASP A 60 3.300 -6.489 10.181 1.00 0.00 O ATOM 873 CB ASP A 60 0.927 -7.539 9.115 1.00 0.00 C ATOM 874 CG ASP A 60 0.187 -6.856 10.249 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.399 -5.780 10.010 1.00 0.00 O ATOM 876 OD2 ASP A 60 0.195 -7.398 11.375 1.00 0.00 O ATOM 0 H ASP A 60 2.327 -7.936 6.818 1.00 0.00 H new ATOM 0 HA ASP A 60 1.318 -5.584 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.207 -8.014 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.557 -8.331 9.521 1.00 0.00 H new ATOM 881 N THR A 61 4.193 -6.272 8.127 1.00 0.00 N ATOM 882 CA THR A 61 5.560 -6.139 8.616 1.00 0.00 C ATOM 883 C THR A 61 6.287 -5.001 7.910 1.00 0.00 C ATOM 884 O THR A 61 5.942 -4.634 6.787 1.00 0.00 O ATOM 885 CB THR A 61 6.356 -7.443 8.420 1.00 0.00 C ATOM 886 OG1 THR A 61 6.064 -8.007 7.136 1.00 0.00 O ATOM 887 CG2 THR A 61 6.022 -8.450 9.510 1.00 0.00 C ATOM 0 H THR A 61 4.102 -6.226 7.112 1.00 0.00 H new ATOM 0 HA THR A 61 5.495 -5.919 9.682 1.00 0.00 H new ATOM 0 HB THR A 61 7.418 -7.207 8.479 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.575 -8.835 7.018 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.596 -9.363 9.350 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.273 -8.029 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.957 -8.681 9.478 1.00 0.00 H new ATOM 895 N GLU A 62 7.295 -4.446 8.575 1.00 0.00 N ATOM 896 CA GLU A 62 8.072 -3.349 8.010 1.00 0.00 C ATOM 897 C GLU A 62 9.196 -3.879 7.124 1.00 0.00 C ATOM 898 O GLU A 62 9.515 -3.290 6.092 1.00 0.00 O ATOM 899 CB GLU A 62 8.653 -2.478 9.125 1.00 0.00 C ATOM 900 CG GLU A 62 8.873 -1.032 8.716 1.00 0.00 C ATOM 901 CD GLU A 62 9.828 -0.302 9.641 1.00 0.00 C ATOM 902 OE1 GLU A 62 9.435 -0.007 10.788 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.971 -0.028 9.216 1.00 0.00 O ATOM 0 H GLU A 62 7.593 -4.738 9.506 1.00 0.00 H new ATOM 0 HA GLU A 62 7.405 -2.743 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.982 -2.506 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.603 -2.903 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.264 -1.002 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.915 -0.512 8.705 1.00 0.00 H new ATOM 910 N GLU A 63 9.793 -4.992 7.538 1.00 0.00 N ATOM 911 CA GLU A 63 10.883 -5.599 6.783 1.00 0.00 C ATOM 912 C GLU A 63 10.422 -5.994 5.384 1.00 0.00 C ATOM 913 O GLU A 63 11.178 -5.893 4.417 1.00 0.00 O ATOM 914 CB GLU A 63 11.422 -6.827 7.521 1.00 0.00 C ATOM 915 CG GLU A 63 11.902 -6.528 8.931 1.00 0.00 C ATOM 916 CD GLU A 63 12.996 -7.475 9.387 1.00 0.00 C ATOM 917 OE1 GLU A 63 13.982 -7.647 8.642 1.00 0.00 O ATOM 918 OE2 GLU A 63 12.863 -8.044 10.492 1.00 0.00 O ATOM 0 H GLU A 63 9.541 -5.491 8.391 1.00 0.00 H new ATOM 0 HA GLU A 63 11.680 -4.862 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.641 -7.586 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.246 -7.252 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.271 -5.503 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.059 -6.593 9.619 1.00 0.00 H new ATOM 925 N PHE A 64 9.176 -6.446 5.284 1.00 0.00 N ATOM 926 CA PHE A 64 8.613 -6.859 4.004 1.00 0.00 C ATOM 927 C PHE A 64 8.223 -5.646 3.164 1.00 0.00 C ATOM 928 O PHE A 64 8.268 -5.686 1.935 1.00 0.00 O ATOM 929 CB PHE A 64 7.393 -7.754 4.223 1.00 0.00 C ATOM 930 CG PHE A 64 6.900 -8.418 2.968 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.790 -9.015 2.090 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.548 -8.442 2.667 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.341 -9.626 0.935 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.093 -9.052 1.513 1.00 0.00 C ATOM 935 CZ PHE A 64 5.990 -9.643 0.646 1.00 0.00 C ATOM 0 H PHE A 64 8.537 -6.535 6.074 1.00 0.00 H new ATOM 0 HA PHE A 64 9.376 -7.422 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.643 -8.521 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.587 -7.157 4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.847 -9.003 2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.842 -7.979 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.045 -10.089 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.036 -9.066 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.636 -10.118 -0.257 1.00 0.00 H new ATOM 945 N PHE A 65 7.838 -4.567 3.838 1.00 0.00 N ATOM 946 CA PHE A 65 7.438 -3.341 3.156 1.00 0.00 C ATOM 947 C PHE A 65 8.660 -2.550 2.700 1.00 0.00 C ATOM 948 O PHE A 65 8.609 -1.831 1.702 1.00 0.00 O ATOM 949 CB PHE A 65 6.572 -2.480 4.077 1.00 0.00 C ATOM 950 CG PHE A 65 6.568 -1.024 3.707 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.681 -0.232 3.944 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.453 -0.447 3.121 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.679 1.108 3.605 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.446 0.892 2.780 1.00 0.00 C ATOM 955 CZ PHE A 65 6.561 1.670 3.021 1.00 0.00 C ATOM 0 H PHE A 65 7.795 -4.517 4.856 1.00 0.00 H new ATOM 0 HA PHE A 65 6.857 -3.616 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.549 -2.855 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.929 -2.585 5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.559 -0.667 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.579 -1.051 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.551 1.715 3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.569 1.330 2.325 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.559 2.716 2.753 1.00 0.00 H new ATOM 965 N GLN A 66 9.756 -2.686 3.439 1.00 0.00 N ATOM 966 CA GLN A 66 10.990 -1.982 3.111 1.00 0.00 C ATOM 967 C GLN A 66 11.724 -2.672 1.965 1.00 0.00 C ATOM 968 O GLN A 66 12.687 -2.136 1.417 1.00 0.00 O ATOM 969 CB GLN A 66 11.899 -1.904 4.339 1.00 0.00 C ATOM 970 CG GLN A 66 11.346 -1.026 5.450 1.00 0.00 C ATOM 971 CD GLN A 66 11.602 0.449 5.211 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.429 0.820 4.378 1.00 0.00 O ATOM 973 NE2 GLN A 66 10.891 1.300 5.943 1.00 0.00 N ATOM 0 H GLN A 66 9.815 -3.277 4.268 1.00 0.00 H new ATOM 0 HA GLN A 66 10.729 -0.972 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.058 -2.910 4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.874 -1.521 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.273 -1.194 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.796 -1.320 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.216 0.948 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.020 2.305 5.826 1.00 0.00 H new ATOM 982 N THR A 67 11.260 -3.866 1.608 1.00 0.00 N ATOM 983 CA THR A 67 11.872 -4.631 0.528 1.00 0.00 C ATOM 984 C THR A 67 11.211 -4.319 -0.810 1.00 0.00 C ATOM 985 O THR A 67 11.871 -4.295 -1.850 1.00 0.00 O ATOM 986 CB THR A 67 11.782 -6.145 0.791 1.00 0.00 C ATOM 987 OG1 THR A 67 10.417 -6.526 1.004 1.00 0.00 O ATOM 988 CG2 THR A 67 12.617 -6.535 2.002 1.00 0.00 C ATOM 0 H THR A 67 10.463 -4.324 2.051 1.00 0.00 H new ATOM 0 HA THR A 67 12.921 -4.338 0.489 1.00 0.00 H new ATOM 0 HB THR A 67 12.172 -6.666 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.872 -5.724 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.538 -7.609 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.660 -6.271 1.825 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.253 -6.004 2.881 1.00 0.00 H new ATOM 996 N LEU A 68 9.905 -4.081 -0.778 1.00 0.00 N ATOM 997 CA LEU A 68 9.153 -3.770 -1.988 1.00 0.00 C ATOM 998 C LEU A 68 9.808 -2.625 -2.756 1.00 0.00 C ATOM 999 O LEU A 68 10.219 -1.626 -2.169 1.00 0.00 O ATOM 1000 CB LEU A 68 7.710 -3.404 -1.638 1.00 0.00 C ATOM 1001 CG LEU A 68 6.962 -4.400 -0.751 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.607 -3.842 -0.346 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.798 -5.733 -1.467 1.00 0.00 C ATOM 0 H LEU A 68 9.344 -4.097 0.074 1.00 0.00 H new ATOM 0 HA LEU A 68 9.152 -4.656 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.713 -2.435 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.151 -3.284 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 68 7.549 -4.564 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.090 -4.565 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.747 -2.913 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.012 -3.648 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.264 -6.430 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.233 -5.585 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.780 -6.141 -1.706 1.00 0.00 H new ATOM 1015 N GLY A 69 9.898 -2.779 -4.074 1.00 0.00 N ATOM 1016 CA GLY A 69 10.502 -1.750 -4.901 1.00 0.00 C ATOM 1017 C GLY A 69 9.566 -0.584 -5.149 1.00 0.00 C ATOM 1018 O GLY A 69 8.346 -0.752 -5.175 1.00 0.00 O ATOM 0 H GLY A 69 9.564 -3.597 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.410 -1.387 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.799 -2.183 -5.856 1.00 0.00 H new ATOM 1022 N ASP A 70 10.136 0.602 -5.331 1.00 0.00 N ATOM 1023 CA ASP A 70 9.345 1.801 -5.578 1.00 0.00 C ATOM 1024 C ASP A 70 8.167 1.496 -6.498 1.00 0.00 C ATOM 1025 O ASP A 70 8.215 0.558 -7.293 1.00 0.00 O ATOM 1026 CB ASP A 70 10.217 2.896 -6.195 1.00 0.00 C ATOM 1027 CG ASP A 70 11.401 3.256 -5.318 1.00 0.00 C ATOM 1028 OD1 ASP A 70 12.246 2.372 -5.072 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.480 4.421 -4.877 1.00 0.00 O ATOM 0 H ASP A 70 11.144 0.758 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 70 8.956 2.151 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.577 2.564 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.611 3.786 -6.366 1.00 0.00 H new ATOM 1034 N ASN A 71 7.109 2.292 -6.381 1.00 0.00 N ATOM 1035 CA ASN A 71 5.917 2.105 -7.202 1.00 0.00 C ATOM 1036 C ASN A 71 5.266 0.755 -6.914 1.00 0.00 C ATOM 1037 O ASN A 71 4.924 0.009 -7.833 1.00 0.00 O ATOM 1038 CB ASN A 71 6.273 2.206 -8.686 1.00 0.00 C ATOM 1039 CG ASN A 71 6.787 3.581 -9.064 1.00 0.00 C ATOM 1040 OD1 ASN A 71 6.164 4.295 -9.852 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.929 3.961 -8.503 1.00 0.00 N ATOM 0 H ASN A 71 7.052 3.072 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 71 5.206 2.893 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.030 1.459 -8.927 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.393 1.973 -9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.324 4.876 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.412 3.338 -7.856 1.00 0.00 H new ATOM 1048 N THR A 72 5.097 0.446 -5.631 1.00 0.00 N ATOM 1049 CA THR A 72 4.487 -0.812 -5.223 1.00 0.00 C ATOM 1050 C THR A 72 2.966 -0.732 -5.281 1.00 0.00 C ATOM 1051 O THR A 72 2.367 0.234 -4.807 1.00 0.00 O ATOM 1052 CB THR A 72 4.915 -1.206 -3.796 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.340 -1.143 -3.677 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.433 -2.608 -3.454 1.00 0.00 C ATOM 0 H THR A 72 5.374 1.051 -4.858 1.00 0.00 H new ATOM 0 HA THR A 72 4.834 -1.572 -5.923 1.00 0.00 H new ATOM 0 HB THR A 72 4.462 -0.503 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.742 -1.105 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.747 -2.864 -2.442 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.345 -2.644 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.861 -3.322 -4.158 1.00 0.00 H new ATOM 1062 N HIS A 73 2.346 -1.752 -5.865 1.00 0.00 N ATOM 1063 CA HIS A 73 0.893 -1.798 -5.984 1.00 0.00 C ATOM 1064 C HIS A 73 0.268 -2.465 -4.763 1.00 0.00 C ATOM 1065 O HIS A 73 0.560 -3.622 -4.458 1.00 0.00 O ATOM 1066 CB HIS A 73 0.487 -2.547 -7.253 1.00 0.00 C ATOM 1067 CG HIS A 73 0.357 -1.663 -8.455 1.00 0.00 C ATOM 1068 ND1 HIS A 73 0.943 -1.952 -9.669 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.299 -0.491 -8.625 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.654 -0.995 -10.533 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.099 -0.096 -9.925 1.00 0.00 N ATOM 0 H HIS A 73 2.827 -2.558 -6.263 1.00 0.00 H new ATOM 0 HA HIS A 73 0.526 -0.773 -6.043 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.226 -3.321 -7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.463 -3.052 -7.079 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.873 0.036 -7.877 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.979 -0.955 -11.562 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.471 0.753 -10.351 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.592 -1.729 -4.068 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.257 -2.250 -2.878 1.00 0.00 C ATOM 1082 C PHE A 74 -2.766 -2.326 -3.088 1.00 0.00 C ATOM 1083 O PHE A 74 -3.304 -1.731 -4.021 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.943 -1.370 -1.666 1.00 0.00 C ATOM 1085 CG PHE A 74 0.513 -1.354 -1.297 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.170 -2.528 -0.967 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.225 -0.165 -1.282 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.509 -2.517 -0.625 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.564 -0.148 -0.943 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.207 -1.325 -0.616 1.00 0.00 C ATOM 0 H PHE A 74 -0.845 -0.770 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.882 -3.257 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.268 -0.351 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.522 -1.722 -0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.629 -3.463 -0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.727 0.759 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.009 -3.439 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.107 0.785 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.255 -1.314 -0.353 1.00 0.00 H new ATOM 1100 N MET A 75 -3.442 -3.064 -2.214 1.00 0.00 N ATOM 1101 CA MET A 75 -4.890 -3.218 -2.303 1.00 0.00 C ATOM 1102 C MET A 75 -5.539 -3.064 -0.931 1.00 0.00 C ATOM 1103 O MET A 75 -5.160 -3.742 0.024 1.00 0.00 O ATOM 1104 CB MET A 75 -5.244 -4.583 -2.897 1.00 0.00 C ATOM 1105 CG MET A 75 -6.669 -5.022 -2.604 1.00 0.00 C ATOM 1106 SD MET A 75 -7.898 -3.882 -3.269 1.00 0.00 S ATOM 1107 CE MET A 75 -8.053 -4.492 -4.946 1.00 0.00 C ATOM 0 H MET A 75 -3.011 -3.565 -1.437 1.00 0.00 H new ATOM 0 HA MET A 75 -5.274 -2.435 -2.957 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.098 -4.549 -3.977 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.554 -5.331 -2.505 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.833 -6.014 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.804 -5.107 -1.526 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.974 -3.659 -5.645 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.258 -5.210 -5.147 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.021 -4.978 -5.068 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.516 -2.169 -0.840 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.217 -1.927 0.415 1.00 0.00 C ATOM 1119 C ILE A 76 -8.545 -2.675 0.455 1.00 0.00 C ATOM 1120 O ILE A 76 -9.403 -2.486 -0.409 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.479 -0.425 0.633 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.771 -0.145 2.109 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.634 0.044 -0.239 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.535 0.167 2.921 1.00 0.00 C ATOM 0 H ILE A 76 -6.841 -1.599 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.572 -2.294 1.213 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.585 0.130 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.464 0.693 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.272 -1.011 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.807 1.107 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.390 -0.125 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.534 -0.514 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.818 0.355 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.849 -0.679 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.045 1.051 2.513 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.710 -3.522 1.465 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.935 -4.298 1.621 1.00 0.00 C ATOM 1138 C LEU A 77 -10.594 -4.012 2.966 1.00 0.00 C ATOM 1139 O LEU A 77 -9.923 -3.961 3.996 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.636 -5.793 1.493 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.850 -6.216 0.251 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.394 -7.661 0.376 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.692 -6.027 -1.003 1.00 0.00 C ATOM 0 H LEU A 77 -8.011 -3.689 2.188 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.625 -4.003 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.080 -6.109 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.582 -6.334 1.502 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.966 -5.583 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.836 -7.945 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.754 -7.766 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.264 -8.309 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.117 -6.333 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.594 -6.635 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.969 -4.977 -1.100 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.910 -3.830 2.949 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.658 -3.552 4.169 1.00 0.00 C ATOM 1157 C GLU A 78 -12.909 -4.833 4.959 1.00 0.00 C ATOM 1158 O GLU A 78 -12.701 -5.937 4.454 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.990 -2.876 3.834 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.835 -1.499 3.213 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.978 -1.147 2.282 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -16.108 -1.620 2.525 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.744 -0.398 1.310 1.00 0.00 O ATOM 0 H GLU A 78 -12.480 -3.870 2.104 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.061 -2.879 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.549 -3.513 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.583 -2.790 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.773 -0.752 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.896 -1.457 2.661 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.359 -4.679 6.199 1.00 0.00 N ATOM 1171 CA LYS A 79 -13.640 -5.822 7.059 1.00 0.00 C ATOM 1172 C LYS A 79 -14.475 -6.864 6.323 1.00 0.00 C ATOM 1173 O LYS A 79 -14.460 -8.044 6.671 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.371 -5.367 8.323 1.00 0.00 C ATOM 1175 CG LYS A 79 -14.557 -6.472 9.350 1.00 0.00 C ATOM 1176 CD LYS A 79 -15.763 -6.212 10.237 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.392 -5.379 11.454 1.00 0.00 C ATOM 1178 NZ LYS A 79 -15.483 -3.919 11.174 1.00 0.00 N ATOM 0 H LYS A 79 -13.537 -3.773 6.632 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.690 -6.276 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.815 -4.548 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.348 -4.972 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.679 -7.427 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.661 -6.552 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.533 -5.697 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.189 -7.162 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.053 -5.632 12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.378 -5.626 11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.223 -3.385 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.833 -3.673 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.457 -3.678 10.899 1.00 0.00 H new ATOM 1192 N GLY A 80 -15.202 -6.421 5.302 1.00 0.00 N ATOM 1193 CA GLY A 80 -16.032 -7.329 4.532 1.00 0.00 C ATOM 1194 C GLY A 80 -15.675 -7.333 3.059 1.00 0.00 C ATOM 1195 O GLY A 80 -16.543 -7.164 2.203 1.00 0.00 O ATOM 0 H GLY A 80 -15.231 -5.449 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.928 -8.338 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.078 -7.047 4.648 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.393 -7.523 2.762 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.924 -7.546 1.382 1.00 0.00 C ATOM 1201 C GLN A 81 -12.621 -8.330 1.264 1.00 0.00 C ATOM 1202 O GLN A 81 -11.802 -8.337 2.183 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.724 -6.120 0.866 1.00 0.00 C ATOM 1204 CG GLN A 81 -15.025 -5.365 0.646 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.871 -4.210 -0.324 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.461 -4.209 -1.406 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.078 -3.216 0.059 1.00 0.00 N ATOM 0 H GLN A 81 -13.661 -7.663 3.459 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.681 -8.042 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.109 -5.568 1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.171 -6.156 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.781 -6.053 0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.387 -4.986 1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.609 -3.258 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.938 -2.411 -0.551 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.434 -8.989 0.126 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.231 -9.776 -0.116 1.00 0.00 C ATOM 1218 C LYS A 82 -10.512 -9.300 -1.374 1.00 0.00 C ATOM 1219 O LYS A 82 -11.045 -8.492 -2.135 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.585 -11.260 -0.248 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.522 -11.560 -1.404 1.00 0.00 C ATOM 1222 CD LYS A 82 -13.194 -12.913 -1.239 1.00 0.00 C ATOM 1223 CE LYS A 82 -14.147 -13.206 -2.389 1.00 0.00 C ATOM 1224 NZ LYS A 82 -15.142 -14.254 -2.031 1.00 0.00 N ATOM 0 H LYS A 82 -13.102 -8.994 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.563 -9.642 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.667 -11.834 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.046 -11.599 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.281 -10.781 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.964 -11.541 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.435 -13.693 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.741 -12.936 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.668 -12.291 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.577 -13.529 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.773 -14.425 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.646 -15.135 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.704 -13.935 -1.216 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.303 -9.806 -1.587 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.513 -9.432 -2.755 1.00 0.00 C ATOM 1240 C TRP A 83 -8.867 -10.305 -3.953 1.00 0.00 C ATOM 1241 O TRP A 83 -9.325 -11.436 -3.795 1.00 0.00 O ATOM 1242 CB TRP A 83 -7.019 -9.552 -2.444 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.157 -9.544 -3.670 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.426 -8.495 -4.150 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.936 -10.634 -4.570 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.764 -8.868 -5.295 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -5.059 -10.176 -5.573 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.392 -11.954 -4.625 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.633 -10.991 -6.618 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.967 -12.762 -5.663 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.095 -12.279 -6.647 1.00 0.00 C ATOM 0 H TRP A 83 -8.848 -10.476 -0.967 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.744 -8.396 -3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.723 -8.728 -1.794 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.843 -10.474 -1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.376 -7.516 -3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.152 -8.268 -5.848 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.064 -12.336 -3.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.962 -10.620 -7.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.313 -13.784 -5.716 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.781 -12.936 -7.445 1.00 0.00 H new