USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0785 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 1.07 USER MOD Single : A 9 LYS NZ :NH3+ 126:sc= -0.1 (180deg=-0.587) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0.32 (180deg=0.29) USER MOD Single : A 13 ASN : amide:sc= -4.98! C(o=-5!,f=-8.3!) USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -0.267 (180deg=-1.28!) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= -1.83 (180deg=-4.2!) USER MOD Single : A 20 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.8!) USER MOD Single : A 22 MET CE :methyl -164:sc= 0 (180deg=-0.419) USER MOD Single : A 24 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.7!) USER MOD Single : A 31 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 33 TYR OH : rot 15:sc= -0.167 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -34:sc= 0.752 USER MOD Single : A 40 GLN : amide:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.8) USER MOD Single : A 55 ASN : amide:sc= -0.0865 X(o=-0.087,f=-0.087) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.028 30.358 17.252 1.00 0.00 N ATOM 2 CA GLY A 1 -9.681 31.506 16.648 1.00 0.00 C ATOM 3 C GLY A 1 -11.110 31.210 16.238 1.00 0.00 C ATOM 4 O GLY A 1 -11.519 30.050 16.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.764 30.585 18.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.678 29.546 17.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.173 30.120 16.710 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.673 32.337 17.353 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.114 31.824 15.773 1.00 0.00 H new ATOM 8 N SER A 2 -11.872 32.261 15.955 1.00 0.00 N ATOM 9 CA SER A 2 -13.266 32.109 15.553 1.00 0.00 C ATOM 10 C SER A 2 -13.371 31.814 14.059 1.00 0.00 C ATOM 11 O SER A 2 -13.471 32.727 13.240 1.00 0.00 O ATOM 12 CB SER A 2 -14.057 33.374 15.891 1.00 0.00 C ATOM 13 OG SER A 2 -14.007 33.651 17.280 1.00 0.00 O ATOM 0 H SER A 2 -11.548 33.227 15.996 1.00 0.00 H new ATOM 0 HA SER A 2 -13.688 31.268 16.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.653 34.219 15.334 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.094 33.253 15.578 1.00 0.00 H new ATOM 0 HG SER A 2 -14.519 34.465 17.470 1.00 0.00 H new ATOM 19 N SER A 3 -13.348 30.531 13.713 1.00 0.00 N ATOM 20 CA SER A 3 -13.437 30.114 12.319 1.00 0.00 C ATOM 21 C SER A 3 -13.958 28.684 12.212 1.00 0.00 C ATOM 22 O SER A 3 -13.641 27.832 13.041 1.00 0.00 O ATOM 23 CB SER A 3 -12.068 30.222 11.644 1.00 0.00 C ATOM 24 OG SER A 3 -12.200 30.322 10.236 1.00 0.00 O ATOM 0 H SER A 3 -13.268 29.762 14.379 1.00 0.00 H new ATOM 0 HA SER A 3 -14.138 30.777 11.811 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.539 31.095 12.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.465 29.349 11.895 1.00 0.00 H new ATOM 0 HG SER A 3 -11.312 30.392 9.828 1.00 0.00 H new ATOM 30 N GLY A 4 -14.761 28.429 11.183 1.00 0.00 N ATOM 31 CA GLY A 4 -15.314 27.101 10.985 1.00 0.00 C ATOM 32 C GLY A 4 -14.921 26.502 9.650 1.00 0.00 C ATOM 33 O GLY A 4 -14.616 25.313 9.561 1.00 0.00 O ATOM 0 H GLY A 4 -15.038 29.118 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.974 26.446 11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.401 27.150 11.052 1.00 0.00 H new ATOM 37 N SER A 5 -14.929 27.327 8.608 1.00 0.00 N ATOM 38 CA SER A 5 -14.575 26.871 7.269 1.00 0.00 C ATOM 39 C SER A 5 -13.396 25.903 7.318 1.00 0.00 C ATOM 40 O SER A 5 -12.532 26.004 8.189 1.00 0.00 O ATOM 41 CB SER A 5 -14.233 28.063 6.374 1.00 0.00 C ATOM 42 OG SER A 5 -13.880 27.638 5.069 1.00 0.00 O ATOM 0 H SER A 5 -15.177 28.315 8.665 1.00 0.00 H new ATOM 0 HA SER A 5 -15.436 26.348 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.087 28.738 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.408 28.625 6.812 1.00 0.00 H new ATOM 0 HG SER A 5 -13.668 28.419 4.517 1.00 0.00 H new ATOM 48 N SER A 6 -13.369 24.965 6.377 1.00 0.00 N ATOM 49 CA SER A 6 -12.299 23.976 6.314 1.00 0.00 C ATOM 50 C SER A 6 -12.250 23.315 4.941 1.00 0.00 C ATOM 51 O SER A 6 -13.283 22.973 4.367 1.00 0.00 O ATOM 52 CB SER A 6 -12.493 22.914 7.398 1.00 0.00 C ATOM 53 OG SER A 6 -12.004 23.367 8.649 1.00 0.00 O ATOM 0 H SER A 6 -14.076 24.869 5.648 1.00 0.00 H new ATOM 0 HA SER A 6 -11.353 24.490 6.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.551 22.668 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.975 21.999 7.111 1.00 0.00 H new ATOM 0 HG SER A 6 -12.114 24.339 8.711 1.00 0.00 H new ATOM 59 N GLY A 7 -11.040 23.137 4.418 1.00 0.00 N ATOM 60 CA GLY A 7 -10.878 22.518 3.116 1.00 0.00 C ATOM 61 C GLY A 7 -9.688 23.069 2.356 1.00 0.00 C ATOM 62 O GLY A 7 -9.319 24.231 2.525 1.00 0.00 O ATOM 0 H GLY A 7 -10.169 23.411 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.759 21.442 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.783 22.672 2.529 1.00 0.00 H new ATOM 66 N PHE A 8 -9.086 22.233 1.516 1.00 0.00 N ATOM 67 CA PHE A 8 -7.929 22.643 0.729 1.00 0.00 C ATOM 68 C PHE A 8 -8.360 23.445 -0.495 1.00 0.00 C ATOM 69 O PHE A 8 -9.531 23.437 -0.876 1.00 0.00 O ATOM 70 CB PHE A 8 -7.123 21.418 0.291 1.00 0.00 C ATOM 71 CG PHE A 8 -6.190 20.904 1.350 1.00 0.00 C ATOM 72 CD1 PHE A 8 -6.684 20.414 2.549 1.00 0.00 C ATOM 73 CD2 PHE A 8 -4.820 20.913 1.148 1.00 0.00 C ATOM 74 CE1 PHE A 8 -5.828 19.941 3.525 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.959 20.440 2.121 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.464 19.955 3.311 1.00 0.00 C ATOM 0 H PHE A 8 -9.380 21.268 1.363 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.302 23.277 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.812 20.622 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.546 21.672 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.750 20.402 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.420 21.294 0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.225 19.561 4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.893 20.450 1.950 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.793 19.587 4.073 1.00 0.00 H new ATOM 86 N LYS A 9 -7.406 24.138 -1.107 1.00 0.00 N ATOM 87 CA LYS A 9 -7.685 24.946 -2.289 1.00 0.00 C ATOM 88 C LYS A 9 -7.257 24.218 -3.559 1.00 0.00 C ATOM 89 O LYS A 9 -8.067 23.989 -4.457 1.00 0.00 O ATOM 90 CB LYS A 9 -6.964 26.293 -2.193 1.00 0.00 C ATOM 91 CG LYS A 9 -7.746 27.348 -1.430 1.00 0.00 C ATOM 92 CD LYS A 9 -8.812 27.991 -2.303 1.00 0.00 C ATOM 93 CE LYS A 9 -9.348 29.269 -1.677 1.00 0.00 C ATOM 94 NZ LYS A 9 -8.287 30.304 -1.532 1.00 0.00 N ATOM 0 H LYS A 9 -6.432 24.157 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.760 25.119 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.999 26.146 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.761 26.660 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.214 26.894 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.063 28.115 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.394 28.213 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.631 27.288 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.157 29.663 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.772 29.044 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.598 31.186 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.108 30.479 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.413 29.971 -1.986 1.00 0.00 H new ATOM 108 N ARG A 10 -5.980 23.856 -3.626 1.00 0.00 N ATOM 109 CA ARG A 10 -5.446 23.153 -4.787 1.00 0.00 C ATOM 110 C ARG A 10 -5.225 21.676 -4.474 1.00 0.00 C ATOM 111 O ARG A 10 -4.362 21.322 -3.670 1.00 0.00 O ATOM 112 CB ARG A 10 -4.130 23.792 -5.235 1.00 0.00 C ATOM 113 CG ARG A 10 -3.754 23.469 -6.672 1.00 0.00 C ATOM 114 CD ARG A 10 -2.954 22.179 -6.762 1.00 0.00 C ATOM 115 NE ARG A 10 -2.586 21.857 -8.138 1.00 0.00 N ATOM 116 CZ ARG A 10 -1.696 20.926 -8.462 1.00 0.00 C ATOM 117 NH1 ARG A 10 -1.087 20.228 -7.514 1.00 0.00 N ATOM 118 NH2 ARG A 10 -1.415 20.691 -9.737 1.00 0.00 N ATOM 0 H ARG A 10 -5.296 24.038 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.174 23.231 -5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.204 24.874 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.330 23.457 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.658 23.381 -7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.171 24.290 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.052 22.269 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.538 21.360 -6.342 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.037 22.376 -8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.301 20.405 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.404 19.514 -7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.883 21.225 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.731 19.976 -9.985 1.00 0.00 H new ATOM 132 N LYS A 11 -6.012 20.817 -5.114 1.00 0.00 N ATOM 133 CA LYS A 11 -5.903 19.378 -4.906 1.00 0.00 C ATOM 134 C LYS A 11 -4.522 18.872 -5.311 1.00 0.00 C ATOM 135 O LYS A 11 -4.231 18.717 -6.496 1.00 0.00 O ATOM 136 CB LYS A 11 -6.982 18.644 -5.706 1.00 0.00 C ATOM 137 CG LYS A 11 -8.376 18.790 -5.123 1.00 0.00 C ATOM 138 CD LYS A 11 -9.436 18.254 -6.071 1.00 0.00 C ATOM 139 CE LYS A 11 -10.839 18.576 -5.578 1.00 0.00 C ATOM 140 NZ LYS A 11 -11.191 17.796 -4.360 1.00 0.00 N ATOM 0 H LYS A 11 -6.732 21.093 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.046 19.178 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.984 19.021 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.728 17.585 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.432 18.257 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.574 19.841 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.290 18.684 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.323 17.175 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.912 19.642 -5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.559 18.362 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.207 17.899 -4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.968 16.792 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.644 18.151 -3.550 1.00 0.00 H new ATOM 154 N ALA A 12 -3.677 18.616 -4.318 1.00 0.00 N ATOM 155 CA ALA A 12 -2.328 18.124 -4.572 1.00 0.00 C ATOM 156 C ALA A 12 -2.183 16.670 -4.137 1.00 0.00 C ATOM 157 O ALA A 12 -3.115 16.079 -3.593 1.00 0.00 O ATOM 158 CB ALA A 12 -1.306 18.995 -3.857 1.00 0.00 C ATOM 0 H ALA A 12 -3.902 18.741 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.145 18.175 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.303 18.616 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.385 20.020 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.497 18.973 -2.784 1.00 0.00 H new ATOM 164 N ASN A 13 -1.009 16.098 -4.381 1.00 0.00 N ATOM 165 CA ASN A 13 -0.743 14.711 -4.016 1.00 0.00 C ATOM 166 C ASN A 13 0.451 14.617 -3.070 1.00 0.00 C ATOM 167 O ASN A 13 1.602 14.580 -3.507 1.00 0.00 O ATOM 168 CB ASN A 13 -0.483 13.872 -5.269 1.00 0.00 C ATOM 169 CG ASN A 13 -0.056 12.455 -4.938 1.00 0.00 C ATOM 170 OD1 ASN A 13 0.842 12.240 -4.123 1.00 0.00 O ATOM 171 ND2 ASN A 13 -0.700 11.481 -5.570 1.00 0.00 N ATOM 0 H ASN A 13 -0.226 16.573 -4.830 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.622 14.322 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.387 13.843 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.291 14.351 -5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.457 10.507 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.438 11.707 -6.237 1.00 0.00 H new ATOM 178 N LYS A 14 0.170 14.579 -1.773 1.00 0.00 N ATOM 179 CA LYS A 14 1.219 14.487 -0.764 1.00 0.00 C ATOM 180 C LYS A 14 1.144 13.157 -0.020 1.00 0.00 C ATOM 181 O LYS A 14 2.079 12.358 -0.064 1.00 0.00 O ATOM 182 CB LYS A 14 1.103 15.646 0.229 1.00 0.00 C ATOM 183 CG LYS A 14 1.892 16.877 -0.179 1.00 0.00 C ATOM 184 CD LYS A 14 3.308 16.840 0.373 1.00 0.00 C ATOM 185 CE LYS A 14 4.259 16.132 -0.579 1.00 0.00 C ATOM 186 NZ LYS A 14 4.204 16.711 -1.950 1.00 0.00 N ATOM 0 H LYS A 14 -0.777 14.611 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 14 2.182 14.546 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.053 15.917 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.448 15.311 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.926 16.945 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.384 17.772 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.658 17.857 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.311 16.331 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.277 16.203 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.008 15.072 -0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.166 16.774 -2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.623 16.102 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.784 17.662 -1.909 1.00 0.00 H new ATOM 200 N GLU A 15 0.025 12.927 0.660 1.00 0.00 N ATOM 201 CA GLU A 15 -0.171 11.693 1.412 1.00 0.00 C ATOM 202 C GLU A 15 0.224 10.478 0.576 1.00 0.00 C ATOM 203 O GLU A 15 0.941 9.594 1.046 1.00 0.00 O ATOM 204 CB GLU A 15 -1.629 11.566 1.857 1.00 0.00 C ATOM 205 CG GLU A 15 -2.118 12.746 2.681 1.00 0.00 C ATOM 206 CD GLU A 15 -1.699 12.654 4.136 1.00 0.00 C ATOM 207 OE1 GLU A 15 -1.904 11.584 4.745 1.00 0.00 O ATOM 208 OE2 GLU A 15 -1.167 13.652 4.664 1.00 0.00 O ATOM 0 H GLU A 15 -0.759 13.578 0.706 1.00 0.00 H new ATOM 0 HA GLU A 15 0.469 11.730 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.262 11.462 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.744 10.653 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.729 13.670 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.205 12.800 2.622 1.00 0.00 H new ATOM 215 N LEU A 16 -0.249 10.442 -0.665 1.00 0.00 N ATOM 216 CA LEU A 16 0.054 9.336 -1.567 1.00 0.00 C ATOM 217 C LEU A 16 1.560 9.127 -1.686 1.00 0.00 C ATOM 218 O LEU A 16 2.042 7.995 -1.671 1.00 0.00 O ATOM 219 CB LEU A 16 -0.547 9.600 -2.948 1.00 0.00 C ATOM 220 CG LEU A 16 -2.017 9.220 -3.125 1.00 0.00 C ATOM 221 CD1 LEU A 16 -2.216 7.731 -2.885 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.895 10.035 -2.187 1.00 0.00 C ATOM 0 H LEU A 16 -0.844 11.165 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.388 8.430 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.437 10.661 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.040 9.055 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.309 9.444 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.268 7.479 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.616 7.164 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.906 7.481 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.938 9.751 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.602 9.843 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.775 11.096 -2.406 1.00 0.00 H new ATOM 234 N GLU A 17 2.298 10.227 -1.802 1.00 0.00 N ATOM 235 CA GLU A 17 3.750 10.163 -1.922 1.00 0.00 C ATOM 236 C GLU A 17 4.369 9.507 -0.692 1.00 0.00 C ATOM 237 O GLU A 17 5.141 8.555 -0.807 1.00 0.00 O ATOM 238 CB GLU A 17 4.330 11.566 -2.112 1.00 0.00 C ATOM 239 CG GLU A 17 4.053 12.159 -3.483 1.00 0.00 C ATOM 240 CD GLU A 17 4.825 11.462 -4.587 1.00 0.00 C ATOM 241 OE1 GLU A 17 6.066 11.378 -4.481 1.00 0.00 O ATOM 242 OE2 GLU A 17 4.187 11.000 -5.556 1.00 0.00 O ATOM 0 H GLU A 17 1.915 11.172 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 17 3.991 9.557 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.917 12.227 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.408 11.529 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.986 12.094 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.312 13.218 -3.476 1.00 0.00 H new ATOM 249 N GLU A 18 4.024 10.023 0.484 1.00 0.00 N ATOM 250 CA GLU A 18 4.548 9.488 1.735 1.00 0.00 C ATOM 251 C GLU A 18 4.277 7.990 1.841 1.00 0.00 C ATOM 252 O GLU A 18 5.203 7.178 1.837 1.00 0.00 O ATOM 253 CB GLU A 18 3.924 10.216 2.927 1.00 0.00 C ATOM 254 CG GLU A 18 3.644 11.686 2.664 1.00 0.00 C ATOM 255 CD GLU A 18 3.718 12.528 3.923 1.00 0.00 C ATOM 256 OE1 GLU A 18 4.499 12.173 4.830 1.00 0.00 O ATOM 257 OE2 GLU A 18 2.995 13.543 4.000 1.00 0.00 O ATOM 0 H GLU A 18 3.385 10.810 0.596 1.00 0.00 H new ATOM 0 HA GLU A 18 5.626 9.646 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.992 9.720 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.591 10.130 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.362 12.064 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.654 11.790 2.220 1.00 0.00 H new ATOM 264 N LYS A 19 3.002 7.630 1.937 1.00 0.00 N ATOM 265 CA LYS A 19 2.607 6.231 2.044 1.00 0.00 C ATOM 266 C LYS A 19 3.435 5.358 1.107 1.00 0.00 C ATOM 267 O LYS A 19 3.868 4.269 1.479 1.00 0.00 O ATOM 268 CB LYS A 19 1.119 6.073 1.723 1.00 0.00 C ATOM 269 CG LYS A 19 0.760 6.464 0.299 1.00 0.00 C ATOM 270 CD LYS A 19 -0.686 6.125 -0.024 1.00 0.00 C ATOM 271 CE LYS A 19 -1.652 6.984 0.776 1.00 0.00 C ATOM 272 NZ LYS A 19 -1.755 6.533 2.192 1.00 0.00 N ATOM 0 H LYS A 19 2.223 8.289 1.943 1.00 0.00 H new ATOM 0 HA LYS A 19 2.788 5.907 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.828 5.036 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.539 6.683 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.924 7.533 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.420 5.948 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.865 6.270 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.871 5.072 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.322 8.023 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.638 6.950 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.756 6.494 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.332 5.588 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.249 7.202 2.807 1.00 0.00 H new ATOM 286 N ASN A 20 3.653 5.846 -0.110 1.00 0.00 N ATOM 287 CA ASN A 20 4.431 5.110 -1.101 1.00 0.00 C ATOM 288 C ASN A 20 5.883 4.969 -0.656 1.00 0.00 C ATOM 289 O ASN A 20 6.393 3.858 -0.510 1.00 0.00 O ATOM 290 CB ASN A 20 4.367 5.816 -2.457 1.00 0.00 C ATOM 291 CG ASN A 20 3.192 5.353 -3.296 1.00 0.00 C ATOM 292 OD1 ASN A 20 2.716 4.227 -3.149 1.00 0.00 O ATOM 293 ND2 ASN A 20 2.718 6.222 -4.181 1.00 0.00 N ATOM 0 H ASN A 20 3.302 6.747 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 20 4.001 4.113 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.296 6.892 -2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.293 5.634 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.928 5.967 -4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.144 7.145 -4.268 1.00 0.00 H new ATOM 300 N ARG A 21 6.543 6.102 -0.441 1.00 0.00 N ATOM 301 CA ARG A 21 7.937 6.105 -0.013 1.00 0.00 C ATOM 302 C ARG A 21 8.209 4.963 0.962 1.00 0.00 C ATOM 303 O ARG A 21 9.216 4.264 0.850 1.00 0.00 O ATOM 304 CB ARG A 21 8.290 7.442 0.640 1.00 0.00 C ATOM 305 CG ARG A 21 9.779 7.745 0.642 1.00 0.00 C ATOM 306 CD ARG A 21 10.149 8.716 1.753 1.00 0.00 C ATOM 307 NE ARG A 21 9.863 8.167 3.076 1.00 0.00 N ATOM 308 CZ ARG A 21 10.458 8.584 4.188 1.00 0.00 C ATOM 309 NH1 ARG A 21 11.366 9.549 4.137 1.00 0.00 N ATOM 310 NH2 ARG A 21 10.145 8.036 5.356 1.00 0.00 N ATOM 0 H ARG A 21 6.135 7.030 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 21 8.562 5.964 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.766 8.242 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.927 7.442 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.340 6.818 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.067 8.166 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.209 8.960 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.598 9.647 1.620 1.00 0.00 H new ATOM 0 HE ARG A 21 9.169 7.423 3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.609 9.973 3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.821 9.867 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.447 7.294 5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.603 8.357 6.209 1.00 0.00 H new ATOM 324 N MET A 22 7.304 4.780 1.918 1.00 0.00 N ATOM 325 CA MET A 22 7.446 3.723 2.912 1.00 0.00 C ATOM 326 C MET A 22 7.551 2.357 2.242 1.00 0.00 C ATOM 327 O MET A 22 8.420 1.553 2.580 1.00 0.00 O ATOM 328 CB MET A 22 6.261 3.740 3.879 1.00 0.00 C ATOM 329 CG MET A 22 6.245 4.949 4.800 1.00 0.00 C ATOM 330 SD MET A 22 5.477 4.600 6.393 1.00 0.00 S ATOM 331 CE MET A 22 3.972 3.780 5.871 1.00 0.00 C ATOM 0 H MET A 22 6.465 5.350 2.025 1.00 0.00 H new ATOM 0 HA MET A 22 8.364 3.905 3.471 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.334 3.718 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.283 2.833 4.484 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.267 5.291 4.961 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.709 5.764 4.314 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.265 3.756 6.700 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.533 4.324 5.035 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.202 2.761 5.560 1.00 0.00 H new ATOM 341 N LEU A 23 6.660 2.100 1.290 1.00 0.00 N ATOM 342 CA LEU A 23 6.652 0.830 0.572 1.00 0.00 C ATOM 343 C LEU A 23 8.037 0.510 0.018 1.00 0.00 C ATOM 344 O LEU A 23 8.519 -0.616 0.141 1.00 0.00 O ATOM 345 CB LEU A 23 5.632 0.872 -0.566 1.00 0.00 C ATOM 346 CG LEU A 23 4.169 0.676 -0.164 1.00 0.00 C ATOM 347 CD1 LEU A 23 3.250 0.948 -1.345 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.948 -0.730 0.374 1.00 0.00 C ATOM 0 H LEU A 23 5.934 2.754 0.998 1.00 0.00 H new ATOM 0 HA LEU A 23 6.371 0.045 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.723 1.832 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.895 0.102 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 23 3.931 1.388 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.213 0.804 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.389 1.974 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.488 0.261 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.902 -0.852 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.204 -1.458 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.579 -0.888 1.248 1.00 0.00 H new ATOM 360 N GLN A 24 8.670 1.507 -0.591 1.00 0.00 N ATOM 361 CA GLN A 24 10.000 1.331 -1.163 1.00 0.00 C ATOM 362 C GLN A 24 10.969 0.774 -0.125 1.00 0.00 C ATOM 363 O GLN A 24 11.602 -0.258 -0.345 1.00 0.00 O ATOM 364 CB GLN A 24 10.525 2.661 -1.707 1.00 0.00 C ATOM 365 CG GLN A 24 9.666 3.246 -2.816 1.00 0.00 C ATOM 366 CD GLN A 24 10.423 4.236 -3.679 1.00 0.00 C ATOM 367 OE1 GLN A 24 11.646 4.163 -3.800 1.00 0.00 O ATOM 368 NE2 GLN A 24 9.697 5.168 -4.286 1.00 0.00 N ATOM 0 H GLN A 24 8.284 2.445 -0.701 1.00 0.00 H new ATOM 0 HA GLN A 24 9.924 0.617 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.587 3.379 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.538 2.516 -2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.288 2.438 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.800 3.741 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.685 5.191 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.151 5.861 -4.881 1.00 0.00 H new ATOM 377 N GLU A 25 11.080 1.465 1.005 1.00 0.00 N ATOM 378 CA GLU A 25 11.974 1.039 2.075 1.00 0.00 C ATOM 379 C GLU A 25 11.513 -0.287 2.673 1.00 0.00 C ATOM 380 O GLU A 25 12.330 -1.111 3.086 1.00 0.00 O ATOM 381 CB GLU A 25 12.042 2.108 3.168 1.00 0.00 C ATOM 382 CG GLU A 25 12.993 3.248 2.847 1.00 0.00 C ATOM 383 CD GLU A 25 14.425 2.782 2.673 1.00 0.00 C ATOM 384 OE1 GLU A 25 14.997 2.246 3.645 1.00 0.00 O ATOM 385 OE2 GLU A 25 14.974 2.954 1.564 1.00 0.00 O ATOM 0 H GLU A 25 10.562 2.321 1.203 1.00 0.00 H new ATOM 0 HA GLU A 25 12.968 0.900 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.043 2.514 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.351 1.640 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.663 3.745 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.950 3.988 3.646 1.00 0.00 H new ATOM 392 N ASP A 26 10.200 -0.485 2.717 1.00 0.00 N ATOM 393 CA ASP A 26 9.630 -1.711 3.264 1.00 0.00 C ATOM 394 C ASP A 26 9.015 -2.564 2.159 1.00 0.00 C ATOM 395 O ASP A 26 7.805 -2.555 1.934 1.00 0.00 O ATOM 396 CB ASP A 26 8.572 -1.380 4.318 1.00 0.00 C ATOM 397 CG ASP A 26 9.183 -1.022 5.658 1.00 0.00 C ATOM 398 OD1 ASP A 26 10.248 -1.582 5.995 1.00 0.00 O ATOM 399 OD2 ASP A 26 8.598 -0.180 6.371 1.00 0.00 O ATOM 0 H ASP A 26 9.511 0.187 2.381 1.00 0.00 H new ATOM 0 HA ASP A 26 10.434 -2.279 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.961 -0.549 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.907 -2.235 4.442 1.00 0.00 H new ATOM 404 N PRO A 27 9.868 -3.319 1.450 1.00 0.00 N ATOM 405 CA PRO A 27 9.431 -4.191 0.356 1.00 0.00 C ATOM 406 C PRO A 27 8.631 -5.390 0.854 1.00 0.00 C ATOM 407 O PRO A 27 7.808 -5.945 0.127 1.00 0.00 O ATOM 408 CB PRO A 27 10.747 -4.652 -0.277 1.00 0.00 C ATOM 409 CG PRO A 27 11.751 -4.548 0.819 1.00 0.00 C ATOM 410 CD PRO A 27 11.324 -3.379 1.662 1.00 0.00 C ATOM 0 HA PRO A 27 8.767 -3.674 -0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.671 -5.674 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 27 11.020 -4.024 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.781 -5.464 1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.753 -4.394 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.571 -3.530 2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.814 -2.457 1.348 1.00 0.00 H new ATOM 418 N VAL A 28 8.878 -5.784 2.100 1.00 0.00 N ATOM 419 CA VAL A 28 8.179 -6.916 2.696 1.00 0.00 C ATOM 420 C VAL A 28 6.741 -6.551 3.048 1.00 0.00 C ATOM 421 O VAL A 28 5.823 -7.352 2.867 1.00 0.00 O ATOM 422 CB VAL A 28 8.896 -7.413 3.965 1.00 0.00 C ATOM 423 CG1 VAL A 28 8.117 -8.550 4.608 1.00 0.00 C ATOM 424 CG2 VAL A 28 10.317 -7.846 3.639 1.00 0.00 C ATOM 0 H VAL A 28 9.557 -5.336 2.715 1.00 0.00 H new ATOM 0 HA VAL A 28 8.177 -7.713 1.953 1.00 0.00 H new ATOM 0 HB VAL A 28 8.946 -6.591 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.639 -8.888 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.121 -8.201 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.032 -9.377 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.809 -8.194 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.292 -8.654 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.870 -7.001 3.228 1.00 0.00 H new ATOM 434 N LEU A 29 6.552 -5.336 3.551 1.00 0.00 N ATOM 435 CA LEU A 29 5.224 -4.863 3.928 1.00 0.00 C ATOM 436 C LEU A 29 4.288 -4.851 2.724 1.00 0.00 C ATOM 437 O LEU A 29 3.136 -5.278 2.816 1.00 0.00 O ATOM 438 CB LEU A 29 5.314 -3.460 4.533 1.00 0.00 C ATOM 439 CG LEU A 29 3.999 -2.685 4.628 1.00 0.00 C ATOM 440 CD1 LEU A 29 3.313 -2.959 5.957 1.00 0.00 C ATOM 441 CD2 LEU A 29 4.245 -1.194 4.450 1.00 0.00 C ATOM 0 H LEU A 29 7.300 -4.661 3.707 1.00 0.00 H new ATOM 0 HA LEU A 29 4.819 -5.548 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.736 -3.544 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.016 -2.874 3.939 1.00 0.00 H new ATOM 0 HG LEU A 29 3.342 -3.023 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.379 -2.399 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.102 -4.025 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.965 -2.650 6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.298 -0.658 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.921 -0.841 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.692 -1.013 3.473 1.00 0.00 H new ATOM 453 N PHE A 30 4.790 -4.361 1.596 1.00 0.00 N ATOM 454 CA PHE A 30 3.998 -4.295 0.372 1.00 0.00 C ATOM 455 C PHE A 30 3.214 -5.587 0.161 1.00 0.00 C ATOM 456 O PHE A 30 2.000 -5.562 -0.038 1.00 0.00 O ATOM 457 CB PHE A 30 4.904 -4.033 -0.833 1.00 0.00 C ATOM 458 CG PHE A 30 4.221 -3.290 -1.946 1.00 0.00 C ATOM 459 CD1 PHE A 30 2.964 -3.674 -2.383 1.00 0.00 C ATOM 460 CD2 PHE A 30 4.836 -2.208 -2.554 1.00 0.00 C ATOM 461 CE1 PHE A 30 2.334 -2.993 -3.407 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.211 -1.523 -3.578 1.00 0.00 C ATOM 463 CZ PHE A 30 2.958 -1.916 -4.005 1.00 0.00 C ATOM 0 H PHE A 30 5.741 -4.004 1.503 1.00 0.00 H new ATOM 0 HA PHE A 30 3.289 -3.473 0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.774 -3.463 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.272 -4.985 -1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.471 -4.515 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.816 -1.896 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.354 -3.303 -3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.702 -0.681 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.467 -1.382 -4.805 1.00 0.00 H new ATOM 473 N GLN A 31 3.918 -6.713 0.207 1.00 0.00 N ATOM 474 CA GLN A 31 3.288 -8.015 0.019 1.00 0.00 C ATOM 475 C GLN A 31 1.886 -8.033 0.621 1.00 0.00 C ATOM 476 O GLN A 31 0.901 -8.260 -0.082 1.00 0.00 O ATOM 477 CB GLN A 31 4.142 -9.114 0.653 1.00 0.00 C ATOM 478 CG GLN A 31 3.720 -10.519 0.254 1.00 0.00 C ATOM 479 CD GLN A 31 3.602 -10.688 -1.248 1.00 0.00 C ATOM 480 OE1 GLN A 31 4.606 -10.779 -1.955 1.00 0.00 O ATOM 481 NE2 GLN A 31 2.371 -10.733 -1.745 1.00 0.00 N ATOM 0 H GLN A 31 4.924 -6.750 0.373 1.00 0.00 H new ATOM 0 HA GLN A 31 3.206 -8.200 -1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.184 -8.962 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.090 -9.022 1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.445 -11.236 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.762 -10.752 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.567 -10.654 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.230 -10.847 -2.749 1.00 0.00 H new ATOM 490 N LEU A 32 1.805 -7.794 1.925 1.00 0.00 N ATOM 491 CA LEU A 32 0.523 -7.782 2.622 1.00 0.00 C ATOM 492 C LEU A 32 -0.507 -6.961 1.854 1.00 0.00 C ATOM 493 O LEU A 32 -1.613 -7.430 1.582 1.00 0.00 O ATOM 494 CB LEU A 32 0.693 -7.218 4.033 1.00 0.00 C ATOM 495 CG LEU A 32 1.038 -8.232 5.124 1.00 0.00 C ATOM 496 CD1 LEU A 32 -0.075 -9.258 5.272 1.00 0.00 C ATOM 497 CD2 LEU A 32 2.361 -8.919 4.815 1.00 0.00 C ATOM 0 H LEU A 32 2.611 -7.606 2.521 1.00 0.00 H new ATOM 0 HA LEU A 32 0.164 -8.809 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.477 -6.461 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.231 -6.712 4.314 1.00 0.00 H new ATOM 0 HG LEU A 32 1.140 -7.698 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.189 -9.971 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.003 -8.752 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.210 -9.787 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.591 -9.637 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.287 -9.439 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.154 -8.173 4.762 1.00 0.00 H new ATOM 509 N TYR A 33 -0.137 -5.734 1.506 1.00 0.00 N ATOM 510 CA TYR A 33 -1.029 -4.846 0.769 1.00 0.00 C ATOM 511 C TYR A 33 -1.568 -5.532 -0.483 1.00 0.00 C ATOM 512 O TYR A 33 -2.696 -5.280 -0.907 1.00 0.00 O ATOM 513 CB TYR A 33 -0.298 -3.559 0.384 1.00 0.00 C ATOM 514 CG TYR A 33 -1.042 -2.721 -0.632 1.00 0.00 C ATOM 515 CD1 TYR A 33 -1.186 -3.152 -1.945 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.601 -1.500 -0.278 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.863 -2.390 -2.877 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.282 -0.731 -1.203 1.00 0.00 C ATOM 519 CZ TYR A 33 -2.410 -1.180 -2.501 1.00 0.00 C ATOM 520 OH TYR A 33 -3.087 -0.419 -3.425 1.00 0.00 O ATOM 0 H TYR A 33 0.775 -5.331 1.722 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.870 -4.598 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.131 -2.963 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.683 -3.814 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.761 -4.099 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.502 -1.145 0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.964 -2.739 -3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.711 0.216 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.295 -0.967 -4.211 1.00 0.00 H new ATOM 530 N LYS A 34 -0.754 -6.403 -1.069 1.00 0.00 N ATOM 531 CA LYS A 34 -1.147 -7.128 -2.272 1.00 0.00 C ATOM 532 C LYS A 34 -2.105 -8.265 -1.932 1.00 0.00 C ATOM 533 O LYS A 34 -3.263 -8.259 -2.350 1.00 0.00 O ATOM 534 CB LYS A 34 0.089 -7.684 -2.983 1.00 0.00 C ATOM 535 CG LYS A 34 0.997 -6.609 -3.555 1.00 0.00 C ATOM 536 CD LYS A 34 2.176 -7.213 -4.299 1.00 0.00 C ATOM 537 CE LYS A 34 3.365 -6.265 -4.321 1.00 0.00 C ATOM 538 NZ LYS A 34 4.305 -6.580 -5.433 1.00 0.00 N ATOM 0 H LYS A 34 0.182 -6.624 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.658 -6.431 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.658 -8.293 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.232 -8.343 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.427 -5.972 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.362 -5.973 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.465 -8.151 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.880 -7.451 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.010 -5.240 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.894 -6.324 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.102 -5.912 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.664 -7.550 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.807 -6.499 -6.342 1.00 0.00 H new ATOM 552 N ASP A 35 -1.616 -9.238 -1.171 1.00 0.00 N ATOM 553 CA ASP A 35 -2.430 -10.381 -0.773 1.00 0.00 C ATOM 554 C ASP A 35 -3.819 -9.930 -0.330 1.00 0.00 C ATOM 555 O ASP A 35 -4.774 -10.708 -0.358 1.00 0.00 O ATOM 556 CB ASP A 35 -1.746 -11.153 0.357 1.00 0.00 C ATOM 557 CG ASP A 35 -2.231 -12.586 0.454 1.00 0.00 C ATOM 558 OD1 ASP A 35 -2.253 -13.277 -0.586 1.00 0.00 O ATOM 559 OD2 ASP A 35 -2.587 -13.016 1.571 1.00 0.00 O ATOM 0 H ASP A 35 -0.660 -9.258 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.538 -11.037 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.668 -11.147 0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.930 -10.645 1.304 1.00 0.00 H new ATOM 564 N LEU A 36 -3.924 -8.671 0.080 1.00 0.00 N ATOM 565 CA LEU A 36 -5.196 -8.117 0.530 1.00 0.00 C ATOM 566 C LEU A 36 -5.876 -7.336 -0.590 1.00 0.00 C ATOM 567 O LEU A 36 -7.010 -7.633 -0.968 1.00 0.00 O ATOM 568 CB LEU A 36 -4.978 -7.208 1.741 1.00 0.00 C ATOM 569 CG LEU A 36 -4.268 -7.843 2.937 1.00 0.00 C ATOM 570 CD1 LEU A 36 -3.661 -6.771 3.829 1.00 0.00 C ATOM 571 CD2 LEU A 36 -5.232 -8.714 3.729 1.00 0.00 C ATOM 0 H LEU A 36 -3.144 -8.015 0.110 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.844 -8.945 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.401 -6.341 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.949 -6.840 2.073 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.462 -8.474 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.160 -7.242 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.938 -6.189 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.449 -6.113 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.709 -9.158 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.059 -8.104 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.619 -9.505 3.087 1.00 0.00 H new ATOM 583 N VAL A 37 -5.176 -6.337 -1.118 1.00 0.00 N ATOM 584 CA VAL A 37 -5.712 -5.515 -2.197 1.00 0.00 C ATOM 585 C VAL A 37 -5.688 -6.267 -3.523 1.00 0.00 C ATOM 586 O VAL A 37 -6.706 -6.372 -4.208 1.00 0.00 O ATOM 587 CB VAL A 37 -4.920 -4.203 -2.349 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.465 -3.381 -3.507 1.00 0.00 C ATOM 589 CG2 VAL A 37 -4.956 -3.406 -1.054 1.00 0.00 C ATOM 0 H VAL A 37 -4.237 -6.077 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.743 -5.280 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.881 -4.449 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.893 -2.458 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.381 -3.953 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.512 -3.142 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.391 -2.482 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.989 -3.168 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.513 -3.996 -0.251 1.00 0.00 H new ATOM 599 N VAL A 38 -4.519 -6.789 -3.881 1.00 0.00 N ATOM 600 CA VAL A 38 -4.363 -7.533 -5.125 1.00 0.00 C ATOM 601 C VAL A 38 -5.241 -8.779 -5.135 1.00 0.00 C ATOM 602 O VAL A 38 -5.476 -9.377 -6.184 1.00 0.00 O ATOM 603 CB VAL A 38 -2.897 -7.949 -5.350 1.00 0.00 C ATOM 604 CG1 VAL A 38 -2.809 -9.055 -6.391 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.060 -6.748 -5.763 1.00 0.00 C ATOM 0 H VAL A 38 -3.666 -6.710 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.672 -6.868 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.499 -8.335 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.766 -9.336 -6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.374 -9.922 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.224 -8.701 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.027 -7.060 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.455 -6.330 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.097 -5.992 -4.979 1.00 0.00 H new ATOM 615 N SER A 39 -5.724 -9.164 -3.958 1.00 0.00 N ATOM 616 CA SER A 39 -6.574 -10.342 -3.830 1.00 0.00 C ATOM 617 C SER A 39 -8.049 -9.957 -3.894 1.00 0.00 C ATOM 618 O SER A 39 -8.928 -10.782 -3.646 1.00 0.00 O ATOM 619 CB SER A 39 -6.282 -11.067 -2.515 1.00 0.00 C ATOM 620 OG SER A 39 -7.009 -12.281 -2.429 1.00 0.00 O ATOM 0 H SER A 39 -5.541 -8.678 -3.080 1.00 0.00 H new ATOM 0 HA SER A 39 -6.354 -11.010 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.214 -11.273 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.543 -10.423 -1.675 1.00 0.00 H new ATOM 0 HG SER A 39 -7.876 -12.175 -2.874 1.00 0.00 H new ATOM 626 N GLN A 40 -8.311 -8.698 -4.229 1.00 0.00 N ATOM 627 CA GLN A 40 -9.679 -8.202 -4.325 1.00 0.00 C ATOM 628 C GLN A 40 -10.429 -8.415 -3.014 1.00 0.00 C ATOM 629 O GLN A 40 -11.608 -8.770 -3.012 1.00 0.00 O ATOM 630 CB GLN A 40 -10.418 -8.901 -5.468 1.00 0.00 C ATOM 631 CG GLN A 40 -9.808 -8.639 -6.836 1.00 0.00 C ATOM 632 CD GLN A 40 -10.136 -9.727 -7.839 1.00 0.00 C ATOM 633 OE1 GLN A 40 -10.797 -9.480 -8.848 1.00 0.00 O ATOM 634 NE2 GLN A 40 -9.674 -10.942 -7.567 1.00 0.00 N ATOM 0 H GLN A 40 -7.594 -8.003 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.637 -7.132 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.425 -9.975 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.457 -8.571 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.168 -7.682 -7.213 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.726 -8.556 -6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.130 -11.103 -6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.863 -11.714 -8.206 1.00 0.00 H new ATOM 643 N VAL A 41 -9.737 -8.197 -1.900 1.00 0.00 N ATOM 644 CA VAL A 41 -10.338 -8.365 -0.582 1.00 0.00 C ATOM 645 C VAL A 41 -10.668 -7.016 0.047 1.00 0.00 C ATOM 646 O VAL A 41 -11.719 -6.849 0.666 1.00 0.00 O ATOM 647 CB VAL A 41 -9.407 -9.146 0.364 1.00 0.00 C ATOM 648 CG1 VAL A 41 -9.954 -9.133 1.783 1.00 0.00 C ATOM 649 CG2 VAL A 41 -9.220 -10.572 -0.131 1.00 0.00 C ATOM 0 H VAL A 41 -8.760 -7.904 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.258 -8.932 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.433 -8.657 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.283 -9.690 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.031 -8.104 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.941 -9.596 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.559 -11.110 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.187 -11.073 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.779 -10.556 -1.128 1.00 0.00 H new ATOM 659 N ILE A 42 -9.764 -6.056 -0.117 1.00 0.00 N ATOM 660 CA ILE A 42 -9.960 -4.720 0.433 1.00 0.00 C ATOM 661 C ILE A 42 -9.496 -3.648 -0.547 1.00 0.00 C ATOM 662 O ILE A 42 -8.911 -3.954 -1.586 1.00 0.00 O ATOM 663 CB ILE A 42 -9.205 -4.544 1.764 1.00 0.00 C ATOM 664 CG1 ILE A 42 -7.697 -4.672 1.541 1.00 0.00 C ATOM 665 CG2 ILE A 42 -9.684 -5.566 2.784 1.00 0.00 C ATOM 666 CD1 ILE A 42 -6.870 -4.196 2.715 1.00 0.00 C ATOM 0 H ILE A 42 -8.889 -6.178 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.029 -4.606 0.612 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.412 -3.547 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.455 -5.715 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.419 -4.100 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.141 -5.429 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.751 -5.431 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -9.504 -6.572 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.811 -4.316 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.083 -3.144 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.120 -4.784 3.598 1.00 0.00 H new ATOM 678 N SER A 43 -9.761 -2.390 -0.209 1.00 0.00 N ATOM 679 CA SER A 43 -9.373 -1.272 -1.060 1.00 0.00 C ATOM 680 C SER A 43 -8.104 -0.607 -0.538 1.00 0.00 C ATOM 681 O SER A 43 -7.896 -0.504 0.671 1.00 0.00 O ATOM 682 CB SER A 43 -10.506 -0.246 -1.137 1.00 0.00 C ATOM 683 OG SER A 43 -10.322 0.635 -2.232 1.00 0.00 O ATOM 0 H SER A 43 -10.243 -2.120 0.648 1.00 0.00 H new ATOM 0 HA SER A 43 -9.174 -1.659 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.461 -0.761 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.547 0.325 -0.210 1.00 0.00 H new ATOM 0 HG SER A 43 -11.060 1.280 -2.261 1.00 0.00 H new ATOM 689 N ALA A 44 -7.257 -0.157 -1.458 1.00 0.00 N ATOM 690 CA ALA A 44 -6.009 0.501 -1.092 1.00 0.00 C ATOM 691 C ALA A 44 -6.203 1.418 0.110 1.00 0.00 C ATOM 692 O ALA A 44 -5.370 1.455 1.015 1.00 0.00 O ATOM 693 CB ALA A 44 -5.460 1.286 -2.274 1.00 0.00 C ATOM 0 H ALA A 44 -7.413 -0.236 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.289 -0.269 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.528 1.772 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.274 0.607 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.185 2.042 -2.577 1.00 0.00 H new ATOM 699 N GLU A 45 -7.308 2.157 0.112 1.00 0.00 N ATOM 700 CA GLU A 45 -7.610 3.076 1.204 1.00 0.00 C ATOM 701 C GLU A 45 -7.760 2.323 2.523 1.00 0.00 C ATOM 702 O GLU A 45 -7.196 2.719 3.542 1.00 0.00 O ATOM 703 CB GLU A 45 -8.890 3.859 0.902 1.00 0.00 C ATOM 704 CG GLU A 45 -8.654 5.120 0.088 1.00 0.00 C ATOM 705 CD GLU A 45 -7.451 5.908 0.568 1.00 0.00 C ATOM 706 OE1 GLU A 45 -7.555 6.567 1.623 1.00 0.00 O ATOM 707 OE2 GLU A 45 -6.404 5.864 -0.112 1.00 0.00 O ATOM 0 H GLU A 45 -8.008 2.138 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.779 3.775 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.583 3.213 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.372 4.128 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.513 4.851 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.541 5.752 0.138 1.00 0.00 H new ATOM 714 N GLU A 46 -8.525 1.236 2.493 1.00 0.00 N ATOM 715 CA GLU A 46 -8.750 0.429 3.686 1.00 0.00 C ATOM 716 C GLU A 46 -7.426 -0.016 4.301 1.00 0.00 C ATOM 717 O GLU A 46 -7.236 0.057 5.515 1.00 0.00 O ATOM 718 CB GLU A 46 -9.604 -0.795 3.348 1.00 0.00 C ATOM 719 CG GLU A 46 -10.242 -1.447 4.563 1.00 0.00 C ATOM 720 CD GLU A 46 -11.418 -0.655 5.100 1.00 0.00 C ATOM 721 OE1 GLU A 46 -12.190 -0.112 4.282 1.00 0.00 O ATOM 722 OE2 GLU A 46 -11.566 -0.577 6.337 1.00 0.00 O ATOM 0 H GLU A 46 -8.999 0.895 1.657 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.280 1.044 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.388 -0.499 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.983 -1.530 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.575 -2.451 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.493 -1.556 5.348 1.00 0.00 H new ATOM 729 N PHE A 47 -6.512 -0.476 3.453 1.00 0.00 N ATOM 730 CA PHE A 47 -5.206 -0.935 3.911 1.00 0.00 C ATOM 731 C PHE A 47 -4.506 0.147 4.729 1.00 0.00 C ATOM 732 O PHE A 47 -4.276 -0.018 5.927 1.00 0.00 O ATOM 733 CB PHE A 47 -4.334 -1.332 2.718 1.00 0.00 C ATOM 734 CG PHE A 47 -2.982 -1.856 3.112 1.00 0.00 C ATOM 735 CD1 PHE A 47 -2.821 -3.180 3.486 1.00 0.00 C ATOM 736 CD2 PHE A 47 -1.874 -1.025 3.108 1.00 0.00 C ATOM 737 CE1 PHE A 47 -1.578 -3.666 3.849 1.00 0.00 C ATOM 738 CE2 PHE A 47 -0.629 -1.505 3.469 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.481 -2.827 3.841 1.00 0.00 C ATOM 0 H PHE A 47 -6.652 -0.541 2.445 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.358 -1.807 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.854 -2.092 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.204 -0.466 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.676 -3.840 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.984 0.010 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.465 -4.700 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.227 -0.847 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.490 -3.204 4.125 1.00 0.00 H new ATOM 749 N TRP A 48 -4.171 1.252 4.073 1.00 0.00 N ATOM 750 CA TRP A 48 -3.497 2.361 4.739 1.00 0.00 C ATOM 751 C TRP A 48 -4.287 2.826 5.957 1.00 0.00 C ATOM 752 O TRP A 48 -3.736 2.968 7.049 1.00 0.00 O ATOM 753 CB TRP A 48 -3.303 3.525 3.766 1.00 0.00 C ATOM 754 CG TRP A 48 -2.331 3.225 2.666 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.579 3.251 1.323 1.00 0.00 C ATOM 756 CD2 TRP A 48 -0.957 2.851 2.816 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.441 2.917 0.629 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.432 2.668 1.521 1.00 0.00 C ATOM 759 CE3 TRP A 48 -0.118 2.656 3.916 1.00 0.00 C ATOM 760 CZ2 TRP A 48 0.892 2.297 1.301 1.00 0.00 C ATOM 761 CZ3 TRP A 48 1.195 2.288 3.696 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.690 2.113 2.397 1.00 0.00 C ATOM 0 H TRP A 48 -4.355 1.404 3.081 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.521 2.011 5.075 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.266 3.787 3.328 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.956 4.398 4.319 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.529 3.498 0.873 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.361 2.863 -0.386 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.490 2.791 4.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.275 2.159 0.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.851 2.133 4.540 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.722 1.827 2.258 1.00 0.00 H new ATOM 773 N ALA A 49 -5.581 3.061 5.763 1.00 0.00 N ATOM 774 CA ALA A 49 -6.447 3.507 6.848 1.00 0.00 C ATOM 775 C ALA A 49 -6.056 2.851 8.168 1.00 0.00 C ATOM 776 O ALA A 49 -6.046 3.499 9.214 1.00 0.00 O ATOM 777 CB ALA A 49 -7.902 3.209 6.518 1.00 0.00 C ATOM 0 H ALA A 49 -6.052 2.950 4.865 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.324 4.584 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.537 3.547 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.182 3.730 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.031 2.136 6.378 1.00 0.00 H new ATOM 783 N ASN A 50 -5.737 1.563 8.111 1.00 0.00 N ATOM 784 CA ASN A 50 -5.347 0.819 9.303 1.00 0.00 C ATOM 785 C ASN A 50 -3.979 1.272 9.805 1.00 0.00 C ATOM 786 O ASN A 50 -3.815 1.599 10.980 1.00 0.00 O ATOM 787 CB ASN A 50 -5.322 -0.683 9.008 1.00 0.00 C ATOM 788 CG ASN A 50 -5.398 -1.521 10.269 1.00 0.00 C ATOM 789 OD1 ASN A 50 -4.383 -2.006 10.768 1.00 0.00 O ATOM 790 ND2 ASN A 50 -6.607 -1.697 10.791 1.00 0.00 N ATOM 0 H ASN A 50 -5.741 1.012 7.252 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.084 1.018 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.158 -0.936 8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.409 -0.929 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.721 -2.253 11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.422 -1.276 10.344 1.00 0.00 H new ATOM 797 N ARG A 51 -3.001 1.290 8.905 1.00 0.00 N ATOM 798 CA ARG A 51 -1.648 1.703 9.255 1.00 0.00 C ATOM 799 C ARG A 51 -1.621 3.166 9.688 1.00 0.00 C ATOM 800 O ARG A 51 -1.259 3.482 10.822 1.00 0.00 O ATOM 801 CB ARG A 51 -0.704 1.493 8.069 1.00 0.00 C ATOM 802 CG ARG A 51 -0.062 0.115 8.038 1.00 0.00 C ATOM 803 CD ARG A 51 1.221 0.080 8.853 1.00 0.00 C ATOM 804 NE ARG A 51 0.957 0.059 10.290 1.00 0.00 N ATOM 805 CZ ARG A 51 0.505 -1.009 10.938 1.00 0.00 C ATOM 806 NH1 ARG A 51 0.270 -2.137 10.282 1.00 0.00 N ATOM 807 NH2 ARG A 51 0.289 -0.950 12.246 1.00 0.00 N ATOM 0 H ARG A 51 -3.121 1.023 7.928 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.312 1.088 10.090 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.258 1.647 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.080 2.249 8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.763 -0.623 8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.153 -0.164 7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.801 -0.801 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.829 0.951 8.609 1.00 0.00 H new ATOM 0 HE ARG A 51 1.129 0.910 10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.436 -2.187 9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.077 -2.955 10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.470 -0.084 12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.058 -1.770 12.743 1.00 0.00 H new ATOM 821 N LEU A 52 -2.005 4.054 8.777 1.00 0.00 N ATOM 822 CA LEU A 52 -2.024 5.484 9.064 1.00 0.00 C ATOM 823 C LEU A 52 -2.960 5.793 10.228 1.00 0.00 C ATOM 824 O LEU A 52 -2.646 6.615 11.088 1.00 0.00 O ATOM 825 CB LEU A 52 -2.458 6.267 7.824 1.00 0.00 C ATOM 826 CG LEU A 52 -1.411 6.409 6.719 1.00 0.00 C ATOM 827 CD1 LEU A 52 -1.250 5.098 5.964 1.00 0.00 C ATOM 828 CD2 LEU A 52 -1.791 7.532 5.765 1.00 0.00 C ATOM 0 H LEU A 52 -2.307 3.809 7.834 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.015 5.787 9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.338 5.782 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.764 7.265 8.138 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.456 6.659 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.501 5.218 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.931 4.317 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.203 4.818 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.034 7.619 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.757 7.312 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.854 8.471 6.315 1.00 0.00 H new ATOM 840 N ASN A 53 -4.110 5.127 10.250 1.00 0.00 N ATOM 841 CA ASN A 53 -5.091 5.330 11.309 1.00 0.00 C ATOM 842 C ASN A 53 -5.552 6.784 11.353 1.00 0.00 C ATOM 843 O ASN A 53 -5.561 7.413 12.411 1.00 0.00 O ATOM 844 CB ASN A 53 -4.500 4.930 12.663 1.00 0.00 C ATOM 845 CG ASN A 53 -4.727 3.466 12.983 1.00 0.00 C ATOM 846 OD1 ASN A 53 -3.784 2.728 13.269 1.00 0.00 O ATOM 847 ND2 ASN A 53 -5.983 3.038 12.936 1.00 0.00 N ATOM 0 H ASN A 53 -4.385 4.442 9.546 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.955 4.700 11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.430 5.138 12.665 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.945 5.544 13.446 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.197 2.062 13.142 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.734 3.685 12.694 1.00 0.00 H new ATOM 854 N VAL A 54 -5.937 7.312 10.195 1.00 0.00 N ATOM 855 CA VAL A 54 -6.401 8.690 10.100 1.00 0.00 C ATOM 856 C VAL A 54 -7.912 8.775 10.285 1.00 0.00 C ATOM 857 O VAL A 54 -8.678 8.381 9.407 1.00 0.00 O ATOM 858 CB VAL A 54 -6.026 9.317 8.744 1.00 0.00 C ATOM 859 CG1 VAL A 54 -6.560 10.738 8.646 1.00 0.00 C ATOM 860 CG2 VAL A 54 -4.518 9.291 8.545 1.00 0.00 C ATOM 0 H VAL A 54 -5.936 6.805 9.310 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.908 9.245 10.898 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.485 8.727 7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.285 11.164 7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.646 10.726 8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.132 11.343 9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.270 9.738 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.036 9.857 9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.166 8.260 8.568 1.00 0.00 H new ATOM 870 N ASN A 55 -8.334 9.292 11.435 1.00 0.00 N ATOM 871 CA ASN A 55 -9.754 9.429 11.736 1.00 0.00 C ATOM 872 C ASN A 55 -10.519 9.952 10.525 1.00 0.00 C ATOM 873 O ASN A 55 -9.973 10.688 9.703 1.00 0.00 O ATOM 874 CB ASN A 55 -9.956 10.370 12.926 1.00 0.00 C ATOM 875 CG ASN A 55 -9.252 9.880 14.177 1.00 0.00 C ATOM 876 OD1 ASN A 55 -8.291 10.492 14.642 1.00 0.00 O ATOM 877 ND2 ASN A 55 -9.729 8.769 14.727 1.00 0.00 N ATOM 0 H ASN A 55 -7.713 9.623 12.173 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.142 8.443 11.991 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.585 11.362 12.668 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.022 10.471 13.129 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.296 8.390 15.569 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.528 8.294 14.307 1.00 0.00 H new ATOM 884 N SER A 56 -11.787 9.566 10.421 1.00 0.00 N ATOM 885 CA SER A 56 -12.628 9.993 9.308 1.00 0.00 C ATOM 886 C SER A 56 -12.274 11.412 8.873 1.00 0.00 C ATOM 887 O SER A 56 -11.965 12.268 9.701 1.00 0.00 O ATOM 888 CB SER A 56 -14.105 9.921 9.700 1.00 0.00 C ATOM 889 OG SER A 56 -14.434 10.932 10.637 1.00 0.00 O ATOM 0 H SER A 56 -12.255 8.958 11.094 1.00 0.00 H new ATOM 0 HA SER A 56 -12.449 9.319 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.726 10.029 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.324 8.942 10.125 1.00 0.00 H new ATOM 0 HG SER A 56 -15.384 10.866 10.870 1.00 0.00 H new ATOM 895 N GLY A 57 -12.321 11.653 7.567 1.00 0.00 N ATOM 896 CA GLY A 57 -12.003 12.968 7.043 1.00 0.00 C ATOM 897 C GLY A 57 -11.360 12.907 5.671 1.00 0.00 C ATOM 898 O GLY A 57 -10.138 12.954 5.532 1.00 0.00 O ATOM 0 H GLY A 57 -12.574 10.961 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.914 13.563 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.331 13.478 7.733 1.00 0.00 H new ATOM 902 N PRO A 58 -12.195 12.796 4.627 1.00 0.00 N ATOM 903 CA PRO A 58 -11.724 12.724 3.241 1.00 0.00 C ATOM 904 C PRO A 58 -11.138 14.047 2.758 1.00 0.00 C ATOM 905 O PRO A 58 -11.655 15.118 3.074 1.00 0.00 O ATOM 906 CB PRO A 58 -12.990 12.382 2.453 1.00 0.00 C ATOM 907 CG PRO A 58 -14.109 12.895 3.292 1.00 0.00 C ATOM 908 CD PRO A 58 -13.664 12.734 4.719 1.00 0.00 C ATOM 0 HA PRO A 58 -10.921 11.997 3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.984 12.853 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.077 11.308 2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.320 13.940 3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -15.026 12.336 3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.061 13.525 5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -14.001 11.787 5.141 1.00 0.00 H new ATOM 916 N SER A 59 -10.055 13.965 1.991 1.00 0.00 N ATOM 917 CA SER A 59 -9.397 15.156 1.468 1.00 0.00 C ATOM 918 C SER A 59 -9.636 15.294 -0.033 1.00 0.00 C ATOM 919 O SER A 59 -10.210 16.281 -0.493 1.00 0.00 O ATOM 920 CB SER A 59 -7.895 15.101 1.753 1.00 0.00 C ATOM 921 OG SER A 59 -7.304 16.382 1.620 1.00 0.00 O ATOM 0 H SER A 59 -9.615 13.086 1.718 1.00 0.00 H new ATOM 0 HA SER A 59 -9.823 16.026 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.726 14.722 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.417 14.403 1.066 1.00 0.00 H new ATOM 0 HG SER A 59 -6.344 16.321 1.809 1.00 0.00 H new ATOM 927 N SER A 60 -9.192 14.296 -0.790 1.00 0.00 N ATOM 928 CA SER A 60 -9.354 14.306 -2.240 1.00 0.00 C ATOM 929 C SER A 60 -10.829 14.379 -2.621 1.00 0.00 C ATOM 930 O SER A 60 -11.274 15.340 -3.247 1.00 0.00 O ATOM 931 CB SER A 60 -8.717 13.058 -2.854 1.00 0.00 C ATOM 932 OG SER A 60 -7.329 13.247 -3.068 1.00 0.00 O ATOM 0 H SER A 60 -8.718 13.471 -0.424 1.00 0.00 H new ATOM 0 HA SER A 60 -8.852 15.191 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.874 12.204 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.206 12.824 -3.800 1.00 0.00 H new ATOM 0 HG SER A 60 -6.945 12.435 -3.459 1.00 0.00 H new ATOM 938 N GLY A 61 -11.584 13.353 -2.238 1.00 0.00 N ATOM 939 CA GLY A 61 -13.001 13.319 -2.548 1.00 0.00 C ATOM 940 C GLY A 61 -13.769 14.441 -1.879 1.00 0.00 C ATOM 941 O GLY A 61 -15.000 14.451 -1.887 1.00 0.00 O ATOM 0 H GLY A 61 -11.239 12.545 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.135 13.385 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.416 12.361 -2.233 1.00 0.00 H new TER 945 GLY A 61