USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 56 THR OG1 : rot 142:sc= -1.33 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.996 X(o=-2.3,f=-2.6) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -89:sc= 1.52 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0058 USER MOD Single : A 18 ASN : amide:sc=-0.00428 X(o=-0.0043,f=-0.28) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= 0.0632 (180deg=-0.672) USER MOD Single : A 34 ASN : amide:sc= -1.66 K(o=-1.7,f=-4!) USER MOD Single : A 41 MET CE :methyl -162:sc=-0.00746 (180deg=-0.528) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -71:sc= -1.72! USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.3) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -0.136 (180deg=-0.626) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0725 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 156:sc= 0 (180deg=-0.644) USER MOD Single : A 86 THR OG1 : rot -56:sc= 0.571 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -59:sc= 1.22 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.259 USER MOD Single : A 108 ASN : amide:sc= -0.033 K(o=-0.033,f=-0.79) USER MOD Single : A 109 MET CE :methyl -158:sc= -0.87 (180deg=-1.51) USER MOD Single : A 110 TYR OH : rot 150:sc= -0.696 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 5.012 6.598 -13.031 1.00 21.32 N ATOM 93 CA ARG A 7 5.365 5.291 -13.573 1.00 2.04 C ATOM 94 C ARG A 7 5.207 4.203 -12.515 1.00 31.14 C ATOM 95 O ARG A 7 4.595 3.164 -12.765 1.00 3.12 O ATOM 96 CB ARG A 7 6.803 5.304 -14.095 1.00 71.44 C ATOM 97 CG ARG A 7 6.904 5.539 -15.594 1.00 1.15 C ATOM 98 CD ARG A 7 8.204 6.237 -15.961 1.00 62.01 C ATOM 99 NE ARG A 7 8.473 6.173 -17.395 1.00 43.01 N ATOM 100 CZ ARG A 7 9.585 6.637 -17.956 1.00 15.12 C ATOM 101 NH1 ARG A 7 10.525 7.196 -17.207 1.00 64.40 N ATOM 102 NH2 ARG A 7 9.757 6.542 -19.268 1.00 55.41 N ATOM 0 HA ARG A 7 4.687 5.072 -14.398 1.00 2.04 H new ATOM 0 HB2 ARG A 7 7.362 6.082 -13.575 1.00 71.44 H new ATOM 0 HB3 ARG A 7 7.278 4.353 -13.852 1.00 71.44 H new ATOM 0 HG2 ARG A 7 6.841 4.585 -16.118 1.00 1.15 H new ATOM 0 HG3 ARG A 7 6.059 6.142 -15.927 1.00 1.15 H new ATOM 0 HD2 ARG A 7 8.157 7.280 -15.647 1.00 62.01 H new ATOM 0 HD3 ARG A 7 9.029 5.777 -15.416 1.00 62.01 H new ATOM 0 HE ARG A 7 7.769 5.749 -17.999 1.00 43.01 H new ATOM 0 HH11 ARG A 7 10.396 7.271 -16.198 1.00 64.40 H new ATOM 0 HH12 ARG A 7 11.378 7.551 -17.640 1.00 64.40 H new ATOM 0 HH21 ARG A 7 9.035 6.113 -19.847 1.00 55.41 H new ATOM 0 HH22 ARG A 7 10.611 6.898 -19.698 1.00 55.41 H new ATOM 116 N ASP A 8 5.762 4.449 -11.333 1.00 61.31 N ATOM 117 CA ASP A 8 5.682 3.491 -10.237 1.00 23.44 C ATOM 118 C ASP A 8 4.229 3.170 -9.899 1.00 44.53 C ATOM 119 O ASP A 8 3.884 2.021 -9.627 1.00 61.44 O ATOM 120 CB ASP A 8 6.397 4.037 -9.000 1.00 44.51 C ATOM 121 CG ASP A 8 7.780 3.443 -8.821 1.00 22.45 C ATOM 122 OD1 ASP A 8 8.722 3.916 -9.491 1.00 12.11 O ATOM 123 OD2 ASP A 8 7.921 2.504 -8.009 1.00 41.20 O ATOM 0 H ASP A 8 6.272 5.304 -11.110 1.00 61.31 H new ATOM 0 HA ASP A 8 6.174 2.572 -10.555 1.00 23.44 H new ATOM 0 HB2 ASP A 8 6.478 5.121 -9.080 1.00 44.51 H new ATOM 0 HB3 ASP A 8 5.797 3.826 -8.115 1.00 44.51 H new ATOM 128 N TRP A 9 3.384 4.194 -9.918 1.00 50.41 N ATOM 129 CA TRP A 9 1.968 4.022 -9.613 1.00 61.11 C ATOM 130 C TRP A 9 1.293 3.130 -10.649 1.00 31.33 C ATOM 131 O TRP A 9 0.637 2.147 -10.303 1.00 73.12 O ATOM 132 CB TRP A 9 1.268 5.381 -9.558 1.00 60.32 C ATOM 133 CG TRP A 9 -0.219 5.277 -9.404 1.00 72.25 C ATOM 134 CD1 TRP A 9 -1.156 5.402 -10.391 1.00 2.15 C ATOM 135 CD2 TRP A 9 -0.940 5.028 -8.193 1.00 12.32 C ATOM 136 NE1 TRP A 9 -2.416 5.246 -9.865 1.00 3.43 N ATOM 137 CE2 TRP A 9 -2.311 5.015 -8.519 1.00 4.13 C ATOM 138 CE3 TRP A 9 -0.562 4.813 -6.865 1.00 2.51 C ATOM 139 CZ2 TRP A 9 -3.300 4.797 -7.564 1.00 54.00 C ATOM 140 CZ3 TRP A 9 -1.545 4.597 -5.919 1.00 13.55 C ATOM 141 CH2 TRP A 9 -2.901 4.590 -6.272 1.00 33.34 C ATOM 0 H TRP A 9 3.654 5.152 -10.141 1.00 50.41 H new ATOM 0 HA TRP A 9 1.888 3.540 -8.638 1.00 61.11 H new ATOM 0 HB2 TRP A 9 1.673 5.957 -8.726 1.00 60.32 H new ATOM 0 HB3 TRP A 9 1.494 5.935 -10.469 1.00 60.32 H new ATOM 0 HD1 TRP A 9 -0.938 5.595 -11.431 1.00 2.15 H new ATOM 0 HE1 TRP A 9 -3.288 5.294 -10.392 1.00 3.43 H new ATOM 0 HE3 TRP A 9 0.481 4.816 -6.583 1.00 2.51 H new ATOM 0 HZ2 TRP A 9 -4.346 4.791 -7.834 1.00 54.00 H new ATOM 0 HZ3 TRP A 9 -1.264 4.431 -4.890 1.00 13.55 H new ATOM 0 HH2 TRP A 9 -3.646 4.418 -5.509 1.00 33.34 H new ATOM 152 N LYS A 10 1.458 3.478 -11.920 1.00 74.55 N ATOM 153 CA LYS A 10 0.865 2.707 -13.008 1.00 3.43 C ATOM 154 C LYS A 10 1.316 1.251 -12.952 1.00 4.43 C ATOM 155 O LYS A 10 0.534 0.339 -13.217 1.00 2.10 O ATOM 156 CB LYS A 10 1.245 3.318 -14.359 1.00 14.44 C ATOM 157 CG LYS A 10 0.055 3.564 -15.270 1.00 40.53 C ATOM 158 CD LYS A 10 0.253 4.807 -16.123 1.00 24.51 C ATOM 159 CE LYS A 10 -0.689 4.820 -17.317 1.00 31.44 C ATOM 160 NZ LYS A 10 0.051 4.906 -18.606 1.00 75.13 N ATOM 0 H LYS A 10 1.997 4.289 -12.223 1.00 74.55 H new ATOM 0 HA LYS A 10 -0.219 2.738 -12.894 1.00 3.43 H new ATOM 0 HB2 LYS A 10 1.763 4.262 -14.189 1.00 14.44 H new ATOM 0 HB3 LYS A 10 1.948 2.655 -14.864 1.00 14.44 H new ATOM 0 HG2 LYS A 10 -0.095 2.699 -15.916 1.00 40.53 H new ATOM 0 HG3 LYS A 10 -0.848 3.674 -14.669 1.00 40.53 H new ATOM 0 HD2 LYS A 10 0.085 5.697 -15.516 1.00 24.51 H new ATOM 0 HD3 LYS A 10 1.285 4.850 -16.472 1.00 24.51 H new ATOM 0 HE2 LYS A 10 -1.299 3.917 -17.308 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -1.371 5.666 -17.232 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -0.626 4.912 -19.395 1.00 75.13 H new ATOM 0 HZ2 LYS A 10 0.614 5.780 -18.626 1.00 75.13 H new ATOM 0 HZ3 LYS A 10 0.683 4.085 -18.699 1.00 75.13 H new ATOM 174 N MET A 11 2.582 1.042 -12.604 1.00 33.43 N ATOM 175 CA MET A 11 3.135 -0.304 -12.510 1.00 61.45 C ATOM 176 C MET A 11 2.563 -1.045 -11.306 1.00 22.11 C ATOM 177 O MET A 11 2.110 -2.183 -11.423 1.00 61.23 O ATOM 178 CB MET A 11 4.661 -0.246 -12.411 1.00 13.13 C ATOM 179 CG MET A 11 5.343 0.086 -13.728 1.00 5.35 C ATOM 180 SD MET A 11 6.552 -1.159 -14.217 1.00 4.14 S ATOM 181 CE MET A 11 5.802 -1.789 -15.716 1.00 11.11 C ATOM 0 H MET A 11 3.243 1.787 -12.383 1.00 33.43 H new ATOM 0 HA MET A 11 2.857 -0.847 -13.413 1.00 61.45 H new ATOM 0 HB2 MET A 11 4.941 0.501 -11.668 1.00 13.13 H new ATOM 0 HB3 MET A 11 5.030 -1.207 -12.052 1.00 13.13 H new ATOM 0 HG2 MET A 11 4.589 0.181 -14.509 1.00 5.35 H new ATOM 0 HG3 MET A 11 5.838 1.054 -13.643 1.00 5.35 H new ATOM 0 HE1 MET A 11 6.434 -2.570 -16.139 1.00 11.11 H new ATOM 0 HE2 MET A 11 4.820 -2.202 -15.486 1.00 11.11 H new ATOM 0 HE3 MET A 11 5.695 -0.979 -16.437 1.00 11.11 H new ATOM 191 N ALA A 12 2.588 -0.392 -10.149 1.00 11.12 N ATOM 192 CA ALA A 12 2.070 -0.988 -8.924 1.00 23.44 C ATOM 193 C ALA A 12 0.654 -1.517 -9.126 1.00 42.20 C ATOM 194 O ALA A 12 0.290 -2.564 -8.591 1.00 24.32 O ATOM 195 CB ALA A 12 2.100 0.025 -7.789 1.00 43.45 C ATOM 0 H ALA A 12 2.962 0.550 -10.034 1.00 11.12 H new ATOM 0 HA ALA A 12 2.710 -1.830 -8.661 1.00 23.44 H new ATOM 0 HB1 ALA A 12 1.710 -0.435 -6.881 1.00 43.45 H new ATOM 0 HB2 ALA A 12 3.126 0.351 -7.619 1.00 43.45 H new ATOM 0 HB3 ALA A 12 1.485 0.885 -8.053 1.00 43.45 H new ATOM 201 N ILE A 13 -0.140 -0.786 -9.901 1.00 10.55 N ATOM 202 CA ILE A 13 -1.516 -1.182 -10.173 1.00 50.31 C ATOM 203 C ILE A 13 -1.583 -2.178 -11.326 1.00 12.32 C ATOM 204 O ILE A 13 -2.413 -3.087 -11.328 1.00 22.53 O ATOM 205 CB ILE A 13 -2.396 0.036 -10.510 1.00 13.31 C ATOM 206 CG1 ILE A 13 -2.380 1.040 -9.355 1.00 32.31 C ATOM 207 CG2 ILE A 13 -3.820 -0.407 -10.814 1.00 44.21 C ATOM 208 CD1 ILE A 13 -2.990 0.502 -8.079 1.00 42.31 C ATOM 0 H ILE A 13 0.146 0.083 -10.351 1.00 10.55 H new ATOM 0 HA ILE A 13 -1.894 -1.653 -9.266 1.00 50.31 H new ATOM 0 HB ILE A 13 -1.991 0.524 -11.396 1.00 13.31 H new ATOM 0 HG12 ILE A 13 -1.350 1.339 -9.158 1.00 32.31 H new ATOM 0 HG13 ILE A 13 -2.920 1.937 -9.657 1.00 32.31 H new ATOM 0 HG21 ILE A 13 -4.430 0.465 -11.050 1.00 44.21 H new ATOM 0 HG22 ILE A 13 -3.815 -1.088 -11.665 1.00 44.21 H new ATOM 0 HG23 ILE A 13 -4.236 -0.916 -9.945 1.00 44.21 H new ATOM 0 HD11 ILE A 13 -2.945 1.267 -7.303 1.00 42.31 H new ATOM 0 HD12 ILE A 13 -4.030 0.229 -8.260 1.00 42.31 H new ATOM 0 HD13 ILE A 13 -2.435 -0.378 -7.754 1.00 42.31 H new ATOM 220 N LYS A 14 -0.703 -2.001 -12.305 1.00 50.23 N ATOM 221 CA LYS A 14 -0.659 -2.885 -13.464 1.00 23.22 C ATOM 222 C LYS A 14 -0.457 -4.335 -13.034 1.00 52.22 C ATOM 223 O LYS A 14 -0.911 -5.260 -13.707 1.00 72.34 O ATOM 224 CB LYS A 14 0.466 -2.462 -14.412 1.00 12.04 C ATOM 225 CG LYS A 14 0.583 -3.339 -15.646 1.00 54.55 C ATOM 226 CD LYS A 14 1.821 -2.996 -16.458 1.00 73.41 C ATOM 227 CE LYS A 14 1.668 -3.417 -17.912 1.00 21.12 C ATOM 228 NZ LYS A 14 0.837 -2.452 -18.684 1.00 62.41 N ATOM 0 H LYS A 14 -0.010 -1.253 -12.319 1.00 50.23 H new ATOM 0 HA LYS A 14 -1.613 -2.808 -13.985 1.00 23.22 H new ATOM 0 HB2 LYS A 14 0.299 -1.431 -14.724 1.00 12.04 H new ATOM 0 HB3 LYS A 14 1.412 -2.482 -13.871 1.00 12.04 H new ATOM 0 HG2 LYS A 14 0.622 -4.386 -15.347 1.00 54.55 H new ATOM 0 HG3 LYS A 14 -0.305 -3.217 -16.266 1.00 54.55 H new ATOM 0 HD2 LYS A 14 2.006 -1.923 -16.406 1.00 73.41 H new ATOM 0 HD3 LYS A 14 2.690 -3.490 -16.024 1.00 73.41 H new ATOM 0 HE2 LYS A 14 2.653 -3.498 -18.372 1.00 21.12 H new ATOM 0 HE3 LYS A 14 1.213 -4.406 -17.958 1.00 21.12 H new ATOM 0 HZ1 LYS A 14 0.756 -2.774 -19.670 1.00 62.41 H new ATOM 0 HZ2 LYS A 14 -0.111 -2.394 -18.260 1.00 62.41 H new ATOM 0 HZ3 LYS A 14 1.284 -1.513 -18.662 1.00 62.41 H new ATOM 242 N ARG A 15 0.225 -4.525 -11.909 1.00 54.44 N ATOM 243 CA ARG A 15 0.485 -5.862 -11.390 1.00 44.14 C ATOM 244 C ARG A 15 -0.559 -6.254 -10.350 1.00 31.44 C ATOM 245 O ARG A 15 -1.187 -7.309 -10.453 1.00 52.20 O ATOM 246 CB ARG A 15 1.884 -5.929 -10.775 1.00 64.43 C ATOM 247 CG ARG A 15 2.995 -5.567 -11.747 1.00 43.12 C ATOM 248 CD ARG A 15 3.656 -6.808 -12.327 1.00 33.14 C ATOM 249 NE ARG A 15 3.841 -6.706 -13.772 1.00 15.23 N ATOM 250 CZ ARG A 15 4.724 -5.896 -14.344 1.00 41.30 C ATOM 251 NH1 ARG A 15 5.500 -5.122 -13.597 1.00 51.15 N ATOM 252 NH2 ARG A 15 4.833 -5.859 -15.666 1.00 4.01 N ATOM 0 H ARG A 15 0.607 -3.770 -11.340 1.00 54.44 H new ATOM 0 HA ARG A 15 0.426 -6.565 -12.221 1.00 44.14 H new ATOM 0 HB2 ARG A 15 1.928 -5.255 -9.919 1.00 64.43 H new ATOM 0 HB3 ARG A 15 2.058 -6.937 -10.397 1.00 64.43 H new ATOM 0 HG2 ARG A 15 2.589 -4.959 -12.555 1.00 43.12 H new ATOM 0 HG3 ARG A 15 3.743 -4.960 -11.236 1.00 43.12 H new ATOM 0 HD2 ARG A 15 4.623 -6.961 -11.848 1.00 33.14 H new ATOM 0 HD3 ARG A 15 3.046 -7.683 -12.101 1.00 33.14 H new ATOM 0 HE ARG A 15 3.260 -7.289 -14.375 1.00 15.23 H new ATOM 0 HH11 ARG A 15 5.419 -5.148 -12.581 1.00 51.15 H new ATOM 0 HH12 ARG A 15 6.177 -4.501 -14.039 1.00 51.15 H new ATOM 0 HH21 ARG A 15 4.238 -6.453 -16.244 1.00 4.01 H new ATOM 0 HH22 ARG A 15 5.512 -5.236 -16.105 1.00 4.01 H new ATOM 266 N CYS A 16 -0.739 -5.400 -9.348 1.00 64.32 N ATOM 267 CA CYS A 16 -1.706 -5.658 -8.287 1.00 70.34 C ATOM 268 C CYS A 16 -3.097 -5.895 -8.866 1.00 71.31 C ATOM 269 O CYS A 16 -3.927 -6.571 -8.257 1.00 41.42 O ATOM 270 CB CYS A 16 -1.742 -4.487 -7.305 1.00 43.53 C ATOM 271 SG CYS A 16 -2.518 -4.876 -5.719 1.00 61.04 S ATOM 0 H CYS A 16 -0.228 -4.523 -9.248 1.00 64.32 H new ATOM 0 HA CYS A 16 -1.395 -6.558 -7.756 1.00 70.34 H new ATOM 0 HB2 CYS A 16 -0.722 -4.147 -7.124 1.00 43.53 H new ATOM 0 HB3 CYS A 16 -2.278 -3.657 -7.766 1.00 43.53 H new ATOM 0 HG CYS A 16 -3.794 -4.641 -5.791 1.00 61.04 H new ATOM 277 N SER A 17 -3.346 -5.334 -10.045 1.00 4.31 N ATOM 278 CA SER A 17 -4.638 -5.479 -10.704 1.00 34.14 C ATOM 279 C SER A 17 -5.021 -6.951 -10.831 1.00 1.44 C ATOM 280 O SER A 17 -6.201 -7.296 -10.854 1.00 72.53 O ATOM 281 CB SER A 17 -4.606 -4.828 -12.088 1.00 5.25 C ATOM 282 OG SER A 17 -5.071 -3.490 -12.033 1.00 23.31 O ATOM 0 H SER A 17 -2.669 -4.774 -10.564 1.00 4.31 H new ATOM 0 HA SER A 17 -5.388 -4.977 -10.092 1.00 34.14 H new ATOM 0 HB2 SER A 17 -3.589 -4.847 -12.479 1.00 5.25 H new ATOM 0 HB3 SER A 17 -5.223 -5.403 -12.778 1.00 5.25 H new ATOM 0 HG SER A 17 -5.039 -3.095 -12.930 1.00 23.31 H new ATOM 288 N ASN A 18 -4.013 -7.813 -10.912 1.00 45.31 N ATOM 289 CA ASN A 18 -4.242 -9.247 -11.037 1.00 61.54 C ATOM 290 C ASN A 18 -4.192 -9.928 -9.673 1.00 2.44 C ATOM 291 O ASN A 18 -3.699 -11.048 -9.543 1.00 61.20 O ATOM 292 CB ASN A 18 -3.201 -9.872 -11.969 1.00 53.13 C ATOM 293 CG ASN A 18 -3.256 -9.291 -13.369 1.00 73.01 C ATOM 294 OD1 ASN A 18 -2.878 -8.141 -13.591 1.00 52.31 O ATOM 295 ND2 ASN A 18 -3.729 -10.087 -14.321 1.00 52.44 N ATOM 0 H ASN A 18 -3.030 -7.543 -10.893 1.00 45.31 H new ATOM 0 HA ASN A 18 -5.235 -9.394 -11.461 1.00 61.54 H new ATOM 0 HB2 ASN A 18 -2.205 -9.717 -11.553 1.00 53.13 H new ATOM 0 HB3 ASN A 18 -3.362 -10.949 -12.019 1.00 53.13 H new ATOM 0 HD21 ASN A 18 -3.790 -9.752 -15.282 1.00 52.44 H new ATOM 0 HD22 ASN A 18 -4.031 -11.034 -14.091 1.00 52.44 H new ATOM 302 N VAL A 19 -4.706 -9.242 -8.657 1.00 12.04 N ATOM 303 CA VAL A 19 -4.722 -9.780 -7.301 1.00 52.25 C ATOM 304 C VAL A 19 -6.009 -10.551 -7.031 1.00 53.14 C ATOM 305 O VAL A 19 -7.097 -10.113 -7.405 1.00 70.55 O ATOM 306 CB VAL A 19 -4.577 -8.662 -6.252 1.00 44.21 C ATOM 307 CG1 VAL A 19 -5.760 -7.709 -6.320 1.00 10.54 C ATOM 308 CG2 VAL A 19 -4.438 -9.255 -4.858 1.00 40.22 C ATOM 0 H VAL A 19 -5.117 -8.313 -8.747 1.00 12.04 H new ATOM 0 HA VAL A 19 -3.872 -10.457 -7.219 1.00 52.25 H new ATOM 0 HB VAL A 19 -3.672 -8.095 -6.473 1.00 44.21 H new ATOM 0 HG11 VAL A 19 -5.640 -6.926 -5.571 1.00 10.54 H new ATOM 0 HG12 VAL A 19 -5.808 -7.259 -7.312 1.00 10.54 H new ATOM 0 HG13 VAL A 19 -6.681 -8.258 -6.126 1.00 10.54 H new ATOM 0 HG21 VAL A 19 -4.337 -8.451 -4.129 1.00 40.22 H new ATOM 0 HG22 VAL A 19 -5.323 -9.847 -4.625 1.00 40.22 H new ATOM 0 HG23 VAL A 19 -3.555 -9.893 -4.820 1.00 40.22 H new ATOM 318 N ALA A 20 -5.878 -11.701 -6.379 1.00 23.04 N ATOM 319 CA ALA A 20 -7.031 -12.532 -6.056 1.00 24.42 C ATOM 320 C ALA A 20 -7.209 -12.662 -4.547 1.00 3.22 C ATOM 321 O ALA A 20 -6.235 -12.652 -3.793 1.00 51.35 O ATOM 322 CB ALA A 20 -6.885 -13.907 -6.692 1.00 2.12 C ATOM 0 H ALA A 20 -4.984 -12.079 -6.064 1.00 23.04 H new ATOM 0 HA ALA A 20 -7.920 -12.049 -6.460 1.00 24.42 H new ATOM 0 HB1 ALA A 20 -7.753 -14.517 -6.443 1.00 2.12 H new ATOM 0 HB2 ALA A 20 -6.815 -13.802 -7.775 1.00 2.12 H new ATOM 0 HB3 ALA A 20 -5.983 -14.388 -6.315 1.00 2.12 H new ATOM 328 N VAL A 21 -8.459 -12.783 -4.111 1.00 42.23 N ATOM 329 CA VAL A 21 -8.765 -12.915 -2.692 1.00 5.52 C ATOM 330 C VAL A 21 -8.136 -14.175 -2.109 1.00 60.31 C ATOM 331 O VAL A 21 -7.599 -14.159 -1.002 1.00 72.42 O ATOM 332 CB VAL A 21 -10.285 -12.951 -2.446 1.00 64.21 C ATOM 333 CG1 VAL A 21 -10.586 -12.901 -0.956 1.00 52.31 C ATOM 334 CG2 VAL A 21 -10.970 -11.806 -3.176 1.00 43.12 C ATOM 0 H VAL A 21 -9.276 -12.792 -4.721 1.00 42.23 H new ATOM 0 HA VAL A 21 -8.345 -12.040 -2.195 1.00 5.52 H new ATOM 0 HB VAL A 21 -10.677 -13.889 -2.840 1.00 64.21 H new ATOM 0 HG11 VAL A 21 -11.665 -12.927 -0.802 1.00 52.31 H new ATOM 0 HG12 VAL A 21 -10.128 -13.759 -0.463 1.00 52.31 H new ATOM 0 HG13 VAL A 21 -10.181 -11.981 -0.534 1.00 52.31 H new ATOM 0 HG21 VAL A 21 -12.043 -11.847 -2.991 1.00 43.12 H new ATOM 0 HG22 VAL A 21 -10.575 -10.856 -2.815 1.00 43.12 H new ATOM 0 HG23 VAL A 21 -10.783 -11.893 -4.246 1.00 43.12 H new ATOM 344 N GLY A 22 -8.206 -15.268 -2.863 1.00 72.22 N ATOM 345 CA GLY A 22 -7.640 -16.523 -2.405 1.00 63.32 C ATOM 346 C GLY A 22 -6.442 -16.953 -3.228 1.00 64.22 C ATOM 347 O GLY A 22 -5.921 -16.179 -4.031 1.00 61.15 O ATOM 0 H GLY A 22 -8.645 -15.306 -3.783 1.00 72.22 H new ATOM 0 HA2 GLY A 22 -7.343 -16.425 -1.361 1.00 63.32 H new ATOM 0 HA3 GLY A 22 -8.404 -17.300 -2.447 1.00 63.32 H new ATOM 351 N VAL A 23 -6.001 -18.191 -3.028 1.00 33.43 N ATOM 352 CA VAL A 23 -4.856 -18.723 -3.757 1.00 74.21 C ATOM 353 C VAL A 23 -5.197 -18.949 -5.226 1.00 32.12 C ATOM 354 O VAL A 23 -4.344 -18.808 -6.101 1.00 21.43 O ATOM 355 CB VAL A 23 -4.368 -20.049 -3.145 1.00 24.31 C ATOM 356 CG1 VAL A 23 -5.463 -21.103 -3.210 1.00 24.15 C ATOM 357 CG2 VAL A 23 -3.110 -20.531 -3.853 1.00 13.01 C ATOM 0 H VAL A 23 -6.420 -18.845 -2.366 1.00 33.43 H new ATOM 0 HA VAL A 23 -4.060 -17.982 -3.681 1.00 74.21 H new ATOM 0 HB VAL A 23 -4.125 -19.877 -2.097 1.00 24.31 H new ATOM 0 HG11 VAL A 23 -5.099 -22.033 -2.773 1.00 24.15 H new ATOM 0 HG12 VAL A 23 -6.334 -20.757 -2.654 1.00 24.15 H new ATOM 0 HG13 VAL A 23 -5.741 -21.275 -4.250 1.00 24.15 H new ATOM 0 HG21 VAL A 23 -2.779 -21.469 -3.408 1.00 13.01 H new ATOM 0 HG22 VAL A 23 -3.325 -20.687 -4.910 1.00 13.01 H new ATOM 0 HG23 VAL A 23 -2.324 -19.783 -3.749 1.00 13.01 H new ATOM 436 N LYS A 29 -11.181 -11.162 -7.840 1.00 23.35 N ATOM 437 CA LYS A 29 -10.000 -10.309 -7.893 1.00 44.10 C ATOM 438 C LYS A 29 -10.370 -8.851 -7.640 1.00 40.13 C ATOM 439 O LYS A 29 -11.545 -8.485 -7.669 1.00 11.35 O ATOM 440 CB LYS A 29 -9.310 -10.443 -9.252 1.00 43.45 C ATOM 441 CG LYS A 29 -8.848 -11.856 -9.564 1.00 54.21 C ATOM 442 CD LYS A 29 -8.348 -11.977 -10.994 1.00 13.32 C ATOM 443 CE LYS A 29 -6.844 -11.770 -11.077 1.00 42.25 C ATOM 444 NZ LYS A 29 -6.093 -12.906 -10.475 1.00 73.30 N ATOM 0 HA LYS A 29 -9.314 -10.632 -7.110 1.00 44.10 H new ATOM 0 HB2 LYS A 29 -9.996 -10.114 -10.032 1.00 43.45 H new ATOM 0 HB3 LYS A 29 -8.450 -9.774 -9.281 1.00 43.45 H new ATOM 0 HG2 LYS A 29 -8.053 -12.140 -8.875 1.00 54.21 H new ATOM 0 HG3 LYS A 29 -9.672 -12.552 -9.406 1.00 54.21 H new ATOM 0 HD2 LYS A 29 -8.603 -12.961 -11.388 1.00 13.32 H new ATOM 0 HD3 LYS A 29 -8.853 -11.242 -11.621 1.00 13.32 H new ATOM 0 HE2 LYS A 29 -6.551 -11.653 -12.120 1.00 42.25 H new ATOM 0 HE3 LYS A 29 -6.576 -10.846 -10.565 1.00 42.25 H new ATOM 0 HZ1 LYS A 29 -5.329 -12.537 -9.873 1.00 73.30 H new ATOM 0 HZ2 LYS A 29 -6.739 -13.483 -9.900 1.00 73.30 H new ATOM 0 HZ3 LYS A 29 -5.685 -13.492 -11.231 1.00 73.30 H new ATOM 458 N PHE A 30 -9.360 -8.023 -7.395 1.00 11.33 N ATOM 459 CA PHE A 30 -9.580 -6.604 -7.138 1.00 30.24 C ATOM 460 C PHE A 30 -9.085 -5.757 -8.306 1.00 3.43 C ATOM 461 O PHE A 30 -8.471 -6.268 -9.242 1.00 12.34 O ATOM 462 CB PHE A 30 -8.871 -6.182 -5.849 1.00 44.34 C ATOM 463 CG PHE A 30 -9.098 -7.125 -4.703 1.00 11.22 C ATOM 464 CD1 PHE A 30 -10.369 -7.597 -4.419 1.00 33.41 C ATOM 465 CD2 PHE A 30 -8.041 -7.538 -3.908 1.00 62.34 C ATOM 466 CE1 PHE A 30 -10.582 -8.466 -3.365 1.00 11.33 C ATOM 467 CE2 PHE A 30 -8.248 -8.407 -2.853 1.00 45.42 C ATOM 468 CZ PHE A 30 -9.520 -8.870 -2.580 1.00 42.12 C ATOM 0 H PHE A 30 -8.381 -8.310 -7.369 1.00 11.33 H new ATOM 0 HA PHE A 30 -10.652 -6.442 -7.024 1.00 30.24 H new ATOM 0 HB2 PHE A 30 -7.801 -6.107 -6.041 1.00 44.34 H new ATOM 0 HB3 PHE A 30 -9.214 -5.187 -5.564 1.00 44.34 H new ATOM 0 HD1 PHE A 30 -11.203 -7.282 -5.028 1.00 33.41 H new ATOM 0 HD2 PHE A 30 -7.044 -7.177 -4.115 1.00 62.34 H new ATOM 0 HE1 PHE A 30 -11.578 -8.828 -3.156 1.00 11.33 H new ATOM 0 HE2 PHE A 30 -7.415 -8.724 -2.243 1.00 45.42 H new ATOM 0 HZ PHE A 30 -9.684 -9.547 -1.754 1.00 42.12 H new ATOM 478 N GLY A 31 -9.357 -4.457 -8.243 1.00 40.43 N ATOM 479 CA GLY A 31 -8.933 -3.558 -9.301 1.00 71.34 C ATOM 480 C GLY A 31 -8.440 -2.227 -8.769 1.00 72.32 C ATOM 481 O GLY A 31 -8.273 -2.059 -7.562 1.00 3.41 O ATOM 0 H GLY A 31 -9.863 -4.010 -7.478 1.00 40.43 H new ATOM 0 HA2 GLY A 31 -8.139 -4.031 -9.879 1.00 71.34 H new ATOM 0 HA3 GLY A 31 -9.766 -3.387 -9.983 1.00 71.34 H new ATOM 485 N GLU A 32 -8.206 -1.281 -9.673 1.00 0.54 N ATOM 486 CA GLU A 32 -7.727 0.041 -9.286 1.00 44.21 C ATOM 487 C GLU A 32 -8.674 0.691 -8.282 1.00 1.42 C ATOM 488 O GLU A 32 -8.242 1.236 -7.267 1.00 43.41 O ATOM 489 CB GLU A 32 -7.580 0.936 -10.519 1.00 34.32 C ATOM 490 CG GLU A 32 -6.828 0.277 -11.663 1.00 11.20 C ATOM 491 CD GLU A 32 -7.715 0.002 -12.862 1.00 25.50 C ATOM 492 OE1 GLU A 32 -8.886 -0.379 -12.659 1.00 54.22 O ATOM 493 OE2 GLU A 32 -7.235 0.167 -14.004 1.00 35.35 O ATOM 0 H GLU A 32 -8.340 -1.405 -10.677 1.00 0.54 H new ATOM 0 HA GLU A 32 -6.752 -0.078 -8.814 1.00 44.21 H new ATOM 0 HB2 GLU A 32 -8.571 1.227 -10.867 1.00 34.32 H new ATOM 0 HB3 GLU A 32 -7.061 1.851 -10.234 1.00 34.32 H new ATOM 0 HG2 GLU A 32 -6.001 0.919 -11.967 1.00 11.20 H new ATOM 0 HG3 GLU A 32 -6.393 -0.660 -11.315 1.00 11.20 H new ATOM 500 N GLY A 33 -9.970 0.630 -8.574 1.00 22.34 N ATOM 501 CA GLY A 33 -10.958 1.216 -7.688 1.00 13.41 C ATOM 502 C GLY A 33 -10.967 0.568 -6.318 1.00 4.13 C ATOM 503 O GLY A 33 -11.188 1.236 -5.309 1.00 12.40 O ATOM 0 H GLY A 33 -10.353 0.185 -9.408 1.00 22.34 H new ATOM 0 HA2 GLY A 33 -10.758 2.282 -7.581 1.00 13.41 H new ATOM 0 HA3 GLY A 33 -11.946 1.121 -8.138 1.00 13.41 H new ATOM 507 N ASN A 34 -10.726 -0.739 -6.282 1.00 10.44 N ATOM 508 CA ASN A 34 -10.709 -1.478 -5.025 1.00 21.13 C ATOM 509 C ASN A 34 -9.591 -0.978 -4.115 1.00 22.52 C ATOM 510 O ASN A 34 -9.797 -0.765 -2.920 1.00 1.11 O ATOM 511 CB ASN A 34 -10.534 -2.974 -5.292 1.00 32.53 C ATOM 512 CG ASN A 34 -10.997 -3.828 -4.126 1.00 42.53 C ATOM 513 OD1 ASN A 34 -10.531 -3.663 -2.999 1.00 14.44 O ATOM 514 ND2 ASN A 34 -11.918 -4.746 -4.395 1.00 3.05 N ATOM 0 H ASN A 34 -10.540 -1.307 -7.108 1.00 10.44 H new ATOM 0 HA ASN A 34 -11.662 -1.314 -4.523 1.00 21.13 H new ATOM 0 HB2 ASN A 34 -11.095 -3.249 -6.185 1.00 32.53 H new ATOM 0 HB3 ASN A 34 -9.484 -3.183 -5.498 1.00 32.53 H new ATOM 0 HD21 ASN A 34 -12.268 -5.350 -3.652 1.00 3.05 H new ATOM 0 HD22 ASN A 34 -12.275 -4.847 -5.345 1.00 3.05 H new ATOM 521 N PHE A 35 -8.407 -0.794 -4.689 1.00 5.34 N ATOM 522 CA PHE A 35 -7.255 -0.319 -3.930 1.00 31.52 C ATOM 523 C PHE A 35 -7.514 1.073 -3.361 1.00 73.41 C ATOM 524 O PHE A 35 -7.375 1.299 -2.159 1.00 52.51 O ATOM 525 CB PHE A 35 -6.008 -0.297 -4.816 1.00 1.41 C ATOM 526 CG PHE A 35 -5.818 -1.553 -5.617 1.00 34.13 C ATOM 527 CD1 PHE A 35 -5.967 -2.797 -5.024 1.00 43.13 C ATOM 528 CD2 PHE A 35 -5.493 -1.491 -6.962 1.00 3.50 C ATOM 529 CE1 PHE A 35 -5.792 -3.954 -5.759 1.00 31.52 C ATOM 530 CE2 PHE A 35 -5.317 -2.645 -7.702 1.00 13.12 C ATOM 531 CZ PHE A 35 -5.468 -3.878 -7.099 1.00 72.44 C ATOM 0 H PHE A 35 -8.220 -0.966 -5.677 1.00 5.34 H new ATOM 0 HA PHE A 35 -7.090 -1.006 -3.100 1.00 31.52 H new ATOM 0 HB2 PHE A 35 -6.071 0.552 -5.497 1.00 1.41 H new ATOM 0 HB3 PHE A 35 -5.130 -0.139 -4.190 1.00 1.41 H new ATOM 0 HD1 PHE A 35 -6.223 -2.863 -3.977 1.00 43.13 H new ATOM 0 HD2 PHE A 35 -5.376 -0.529 -7.438 1.00 3.50 H new ATOM 0 HE1 PHE A 35 -5.909 -4.918 -5.285 1.00 31.52 H new ATOM 0 HE2 PHE A 35 -5.062 -2.582 -8.750 1.00 13.12 H new ATOM 0 HZ PHE A 35 -5.333 -4.782 -7.675 1.00 72.44 H new ATOM 541 N ARG A 36 -7.891 2.001 -4.234 1.00 53.01 N ATOM 542 CA ARG A 36 -8.168 3.371 -3.820 1.00 53.23 C ATOM 543 C ARG A 36 -9.218 3.403 -2.713 1.00 50.23 C ATOM 544 O ARG A 36 -9.108 4.177 -1.762 1.00 63.21 O ATOM 545 CB ARG A 36 -8.645 4.201 -5.014 1.00 72.41 C ATOM 546 CG ARG A 36 -7.751 4.078 -6.237 1.00 5.52 C ATOM 547 CD ARG A 36 -7.289 5.442 -6.728 1.00 22.35 C ATOM 548 NE ARG A 36 -8.394 6.236 -7.256 1.00 52.40 N ATOM 549 CZ ARG A 36 -8.261 7.485 -7.688 1.00 4.51 C ATOM 550 NH1 ARG A 36 -7.075 8.079 -7.655 1.00 34.24 N ATOM 551 NH2 ARG A 36 -9.314 8.144 -8.155 1.00 60.50 N ATOM 0 H ARG A 36 -8.012 1.829 -5.232 1.00 53.01 H new ATOM 0 HA ARG A 36 -7.244 3.801 -3.433 1.00 53.23 H new ATOM 0 HB2 ARG A 36 -9.656 3.891 -5.280 1.00 72.41 H new ATOM 0 HB3 ARG A 36 -8.700 5.249 -4.719 1.00 72.41 H new ATOM 0 HG2 ARG A 36 -6.883 3.464 -5.995 1.00 5.52 H new ATOM 0 HG3 ARG A 36 -8.291 3.567 -7.034 1.00 5.52 H new ATOM 0 HD2 ARG A 36 -6.815 5.981 -5.908 1.00 22.35 H new ATOM 0 HD3 ARG A 36 -6.534 5.312 -7.503 1.00 22.35 H new ATOM 0 HE ARG A 36 -9.319 5.808 -7.295 1.00 52.40 H new ATOM 0 HH11 ARG A 36 -6.263 7.576 -7.297 1.00 34.24 H new ATOM 0 HH12 ARG A 36 -6.976 9.038 -7.987 1.00 34.24 H new ATOM 0 HH21 ARG A 36 -10.228 7.691 -8.183 1.00 60.50 H new ATOM 0 HH22 ARG A 36 -9.210 9.103 -8.486 1.00 60.50 H new ATOM 565 N TRP A 37 -10.235 2.559 -2.845 1.00 24.10 N ATOM 566 CA TRP A 37 -11.304 2.491 -1.856 1.00 35.00 C ATOM 567 C TRP A 37 -10.753 2.130 -0.481 1.00 61.53 C ATOM 568 O TRP A 37 -11.039 2.802 0.509 1.00 43.43 O ATOM 569 CB TRP A 37 -12.357 1.466 -2.282 1.00 41.35 C ATOM 570 CG TRP A 37 -13.403 1.219 -1.238 1.00 0.30 C ATOM 571 CD1 TRP A 37 -14.578 1.897 -1.078 1.00 43.23 C ATOM 572 CD2 TRP A 37 -13.367 0.226 -0.208 1.00 35.14 C ATOM 573 NE1 TRP A 37 -15.275 1.385 -0.011 1.00 3.05 N ATOM 574 CE2 TRP A 37 -14.554 0.358 0.540 1.00 51.31 C ATOM 575 CE3 TRP A 37 -12.450 -0.764 0.155 1.00 11.10 C ATOM 576 CZ2 TRP A 37 -14.844 -0.461 1.628 1.00 63.25 C ATOM 577 CZ3 TRP A 37 -12.739 -1.576 1.235 1.00 61.30 C ATOM 578 CH2 TRP A 37 -13.928 -1.422 1.960 1.00 3.25 C ATOM 0 H TRP A 37 -10.342 1.913 -3.627 1.00 24.10 H new ATOM 0 HA TRP A 37 -11.769 3.475 -1.793 1.00 35.00 H new ATOM 0 HB2 TRP A 37 -12.841 1.811 -3.196 1.00 41.35 H new ATOM 0 HB3 TRP A 37 -11.862 0.525 -2.520 1.00 41.35 H new ATOM 0 HD1 TRP A 37 -14.910 2.716 -1.699 1.00 43.23 H new ATOM 0 HE1 TRP A 37 -16.182 1.716 0.318 1.00 3.05 H new ATOM 0 HE3 TRP A 37 -11.532 -0.892 -0.399 1.00 11.10 H new ATOM 0 HZ2 TRP A 37 -15.759 -0.342 2.190 1.00 63.25 H new ATOM 0 HZ3 TRP A 37 -12.036 -2.343 1.525 1.00 61.30 H new ATOM 0 HH2 TRP A 37 -14.126 -2.075 2.797 1.00 3.25 H new ATOM 589 N ALA A 38 -9.961 1.063 -0.428 1.00 12.54 N ATOM 590 CA ALA A 38 -9.368 0.615 0.826 1.00 70.31 C ATOM 591 C ALA A 38 -8.355 1.628 1.348 1.00 54.30 C ATOM 592 O ALA A 38 -8.459 2.095 2.483 1.00 53.34 O ATOM 593 CB ALA A 38 -8.710 -0.745 0.642 1.00 40.34 C ATOM 0 H ALA A 38 -9.716 0.494 -1.238 1.00 12.54 H new ATOM 0 HA ALA A 38 -10.165 0.525 1.564 1.00 70.31 H new ATOM 0 HB1 ALA A 38 -8.271 -1.068 1.586 1.00 40.34 H new ATOM 0 HB2 ALA A 38 -9.458 -1.471 0.323 1.00 40.34 H new ATOM 0 HB3 ALA A 38 -7.929 -0.672 -0.115 1.00 40.34 H new ATOM 599 N ILE A 39 -7.377 1.964 0.514 1.00 60.52 N ATOM 600 CA ILE A 39 -6.346 2.922 0.892 1.00 12.11 C ATOM 601 C ILE A 39 -6.963 4.212 1.423 1.00 21.43 C ATOM 602 O ILE A 39 -6.539 4.737 2.453 1.00 65.42 O ATOM 603 CB ILE A 39 -5.426 3.258 -0.297 1.00 32.15 C ATOM 604 CG1 ILE A 39 -4.763 1.987 -0.832 1.00 33.15 C ATOM 605 CG2 ILE A 39 -4.374 4.276 0.119 1.00 75.22 C ATOM 606 CD1 ILE A 39 -4.212 2.136 -2.232 1.00 54.53 C ATOM 0 H ILE A 39 -7.277 1.587 -0.428 1.00 60.52 H new ATOM 0 HA ILE A 39 -5.754 2.454 1.678 1.00 12.11 H new ATOM 0 HB ILE A 39 -6.030 3.693 -1.093 1.00 32.15 H new ATOM 0 HG12 ILE A 39 -3.954 1.699 -0.161 1.00 33.15 H new ATOM 0 HG13 ILE A 39 -5.490 1.175 -0.821 1.00 33.15 H new ATOM 0 HG21 ILE A 39 -3.731 4.503 -0.732 1.00 75.22 H new ATOM 0 HG22 ILE A 39 -4.865 5.189 0.457 1.00 75.22 H new ATOM 0 HG23 ILE A 39 -3.771 3.866 0.930 1.00 75.22 H new ATOM 0 HD11 ILE A 39 -3.757 1.197 -2.546 1.00 54.53 H new ATOM 0 HD12 ILE A 39 -5.021 2.394 -2.916 1.00 54.53 H new ATOM 0 HD13 ILE A 39 -3.460 2.925 -2.245 1.00 54.53 H new ATOM 618 N ARG A 40 -7.968 4.716 0.715 1.00 41.02 N ATOM 619 CA ARG A 40 -8.644 5.944 1.115 1.00 11.02 C ATOM 620 C ARG A 40 -9.240 5.806 2.513 1.00 22.32 C ATOM 621 O ARG A 40 -9.040 6.665 3.371 1.00 32.12 O ATOM 622 CB ARG A 40 -9.745 6.295 0.113 1.00 40.33 C ATOM 623 CG ARG A 40 -10.388 7.649 0.364 1.00 50.41 C ATOM 624 CD ARG A 40 -11.660 7.518 1.186 1.00 34.12 C ATOM 625 NE ARG A 40 -12.785 8.217 0.570 1.00 30.21 N ATOM 626 CZ ARG A 40 -14.034 8.134 1.014 1.00 33.30 C ATOM 627 NH1 ARG A 40 -14.317 7.386 2.072 1.00 50.21 N ATOM 628 NH2 ARG A 40 -15.004 8.800 0.400 1.00 63.44 N ATOM 0 H ARG A 40 -8.332 4.293 -0.139 1.00 41.02 H new ATOM 0 HA ARG A 40 -7.906 6.746 1.130 1.00 11.02 H new ATOM 0 HB2 ARG A 40 -9.326 6.282 -0.893 1.00 40.33 H new ATOM 0 HB3 ARG A 40 -10.515 5.524 0.148 1.00 40.33 H new ATOM 0 HG2 ARG A 40 -9.683 8.297 0.884 1.00 50.41 H new ATOM 0 HG3 ARG A 40 -10.617 8.127 -0.589 1.00 50.41 H new ATOM 0 HD2 ARG A 40 -11.909 6.463 1.303 1.00 34.12 H new ATOM 0 HD3 ARG A 40 -11.488 7.918 2.185 1.00 34.12 H new ATOM 0 HE ARG A 40 -12.601 8.801 -0.246 1.00 30.21 H new ATOM 0 HH11 ARG A 40 -13.575 6.873 2.547 1.00 50.21 H new ATOM 0 HH12 ARG A 40 -15.277 7.324 2.411 1.00 50.21 H new ATOM 0 HH21 ARG A 40 -14.791 9.377 -0.414 1.00 63.44 H new ATOM 0 HH22 ARG A 40 -15.963 8.735 0.742 1.00 63.44 H new ATOM 642 N MET A 41 -9.972 4.719 2.734 1.00 60.21 N ATOM 643 CA MET A 41 -10.596 4.468 4.028 1.00 60.01 C ATOM 644 C MET A 41 -9.573 4.572 5.154 1.00 25.22 C ATOM 645 O MET A 41 -9.861 5.116 6.220 1.00 74.34 O ATOM 646 CB MET A 41 -11.250 3.085 4.043 1.00 10.02 C ATOM 647 CG MET A 41 -12.128 2.841 5.260 1.00 4.32 C ATOM 648 SD MET A 41 -13.882 3.059 4.906 1.00 32.41 S ATOM 649 CE MET A 41 -14.072 4.815 5.200 1.00 42.35 C ATOM 0 H MET A 41 -10.148 3.998 2.034 1.00 60.21 H new ATOM 0 HA MET A 41 -11.363 5.226 4.187 1.00 60.01 H new ATOM 0 HB2 MET A 41 -11.851 2.967 3.142 1.00 10.02 H new ATOM 0 HB3 MET A 41 -10.471 2.323 4.009 1.00 10.02 H new ATOM 0 HG2 MET A 41 -11.959 1.829 5.628 1.00 4.32 H new ATOM 0 HG3 MET A 41 -11.835 3.524 6.057 1.00 4.32 H new ATOM 0 HE1 MET A 41 -15.128 5.049 5.338 1.00 42.35 H new ATOM 0 HE2 MET A 41 -13.518 5.096 6.096 1.00 42.35 H new ATOM 0 HE3 MET A 41 -13.686 5.371 4.346 1.00 42.35 H new ATOM 659 N ALA A 42 -8.376 4.046 4.911 1.00 13.41 N ATOM 660 CA ALA A 42 -7.310 4.082 5.904 1.00 31.14 C ATOM 661 C ALA A 42 -6.742 5.489 6.049 1.00 5.44 C ATOM 662 O ALA A 42 -6.495 5.958 7.160 1.00 64.42 O ATOM 663 CB ALA A 42 -6.208 3.101 5.531 1.00 12.32 C ATOM 0 H ALA A 42 -8.121 3.590 4.035 1.00 13.41 H new ATOM 0 HA ALA A 42 -7.732 3.789 6.865 1.00 31.14 H new ATOM 0 HB1 ALA A 42 -5.418 3.138 6.281 1.00 12.32 H new ATOM 0 HB2 ALA A 42 -6.619 2.092 5.486 1.00 12.32 H new ATOM 0 HB3 ALA A 42 -5.797 3.369 4.558 1.00 12.32 H new ATOM 669 N ASN A 43 -6.536 6.159 4.920 1.00 65.33 N ATOM 670 CA ASN A 43 -5.994 7.513 4.922 1.00 74.04 C ATOM 671 C ASN A 43 -6.855 8.442 5.773 1.00 71.51 C ATOM 672 O ASN A 43 -6.362 9.418 6.337 1.00 15.43 O ATOM 673 CB ASN A 43 -5.905 8.051 3.492 1.00 64.41 C ATOM 674 CG ASN A 43 -4.497 8.475 3.121 1.00 24.50 C ATOM 675 OD1 ASN A 43 -3.546 7.705 3.265 1.00 14.23 O ATOM 676 ND2 ASN A 43 -4.357 9.705 2.640 1.00 24.54 N ATOM 0 H ASN A 43 -6.736 5.786 3.992 1.00 65.33 H new ATOM 0 HA ASN A 43 -4.993 7.477 5.353 1.00 74.04 H new ATOM 0 HB2 ASN A 43 -6.246 7.284 2.796 1.00 64.41 H new ATOM 0 HB3 ASN A 43 -6.578 8.902 3.384 1.00 64.41 H new ATOM 0 HD21 ASN A 43 -3.434 10.046 2.373 1.00 24.54 H new ATOM 0 HD22 ASN A 43 -5.173 10.309 2.538 1.00 24.54 H new ATOM 683 N VAL A 44 -8.144 8.129 5.861 1.00 11.22 N ATOM 684 CA VAL A 44 -9.074 8.934 6.645 1.00 62.22 C ATOM 685 C VAL A 44 -9.006 8.568 8.123 1.00 11.13 C ATOM 686 O VAL A 44 -8.660 9.398 8.964 1.00 52.45 O ATOM 687 CB VAL A 44 -10.522 8.760 6.150 1.00 61.31 C ATOM 688 CG1 VAL A 44 -11.471 9.634 6.956 1.00 64.21 C ATOM 689 CG2 VAL A 44 -10.620 9.080 4.666 1.00 5.00 C ATOM 0 H VAL A 44 -8.568 7.324 5.399 1.00 11.22 H new ATOM 0 HA VAL A 44 -8.777 9.975 6.518 1.00 62.22 H new ATOM 0 HB VAL A 44 -10.814 7.720 6.294 1.00 61.31 H new ATOM 0 HG11 VAL A 44 -12.489 9.498 6.592 1.00 64.21 H new ATOM 0 HG12 VAL A 44 -11.421 9.352 8.008 1.00 64.21 H new ATOM 0 HG13 VAL A 44 -11.184 10.680 6.847 1.00 64.21 H new ATOM 0 HG21 VAL A 44 -11.650 8.952 4.333 1.00 5.00 H new ATOM 0 HG22 VAL A 44 -10.309 10.111 4.495 1.00 5.00 H new ATOM 0 HG23 VAL A 44 -9.971 8.407 4.105 1.00 5.00 H new ATOM 699 N SER A 45 -9.338 7.319 8.434 1.00 14.10 N ATOM 700 CA SER A 45 -9.319 6.843 9.812 1.00 4.33 C ATOM 701 C SER A 45 -7.969 7.125 10.465 1.00 64.11 C ATOM 702 O SER A 45 -7.895 7.474 11.644 1.00 75.23 O ATOM 703 CB SER A 45 -9.618 5.344 9.861 1.00 75.12 C ATOM 704 OG SER A 45 -10.988 5.106 10.138 1.00 42.43 O ATOM 0 H SER A 45 -9.623 6.618 7.750 1.00 14.10 H new ATOM 0 HA SER A 45 -10.091 7.378 10.366 1.00 4.33 H new ATOM 0 HB2 SER A 45 -9.351 4.885 8.909 1.00 75.12 H new ATOM 0 HB3 SER A 45 -9.002 4.872 10.626 1.00 75.12 H new ATOM 0 HG SER A 45 -11.154 4.140 10.162 1.00 42.43 H new ATOM 710 N THR A 46 -6.900 6.971 9.689 1.00 23.54 N ATOM 711 CA THR A 46 -5.552 7.206 10.190 1.00 4.43 C ATOM 712 C THR A 46 -4.924 8.427 9.527 1.00 15.44 C ATOM 713 O THR A 46 -3.765 8.396 9.117 1.00 51.20 O ATOM 714 CB THR A 46 -4.643 5.985 9.955 1.00 71.04 C ATOM 715 OG1 THR A 46 -4.308 5.884 8.566 1.00 13.11 O ATOM 716 CG2 THR A 46 -5.328 4.705 10.411 1.00 44.33 C ATOM 0 H THR A 46 -6.942 6.684 8.711 1.00 23.54 H new ATOM 0 HA THR A 46 -5.641 7.382 11.262 1.00 4.43 H new ATOM 0 HB THR A 46 -3.733 6.119 10.539 1.00 71.04 H new ATOM 0 HG1 THR A 46 -5.099 5.608 8.058 1.00 13.11 H new ATOM 0 HG21 THR A 46 -4.667 3.856 10.235 1.00 44.33 H new ATOM 0 HG22 THR A 46 -5.556 4.773 11.475 1.00 44.33 H new ATOM 0 HG23 THR A 46 -6.252 4.567 9.850 1.00 44.33 H new ATOM 851 N THR A 56 6.186 5.524 2.158 1.00 23.23 N ATOM 852 CA THR A 56 7.124 4.685 2.893 1.00 23.50 C ATOM 853 C THR A 56 6.428 3.457 3.470 1.00 64.02 C ATOM 854 O THR A 56 5.389 3.569 4.122 1.00 62.33 O ATOM 855 CB THR A 56 7.798 5.464 4.038 1.00 12.21 C ATOM 856 OG1 THR A 56 6.864 5.674 5.104 1.00 63.35 O ATOM 857 CG2 THR A 56 8.322 6.805 3.545 1.00 33.41 C ATOM 0 HA THR A 56 7.887 4.367 2.182 1.00 23.50 H new ATOM 0 HB THR A 56 8.639 4.875 4.403 1.00 12.21 H new ATOM 0 HG1 THR A 56 7.324 5.583 5.965 1.00 63.35 H new ATOM 0 HG21 THR A 56 8.794 7.337 4.371 1.00 33.41 H new ATOM 0 HG22 THR A 56 9.054 6.641 2.754 1.00 33.41 H new ATOM 0 HG23 THR A 56 7.494 7.398 3.157 1.00 33.41 H new ATOM 865 N LEU A 57 7.007 2.286 3.227 1.00 1.12 N ATOM 866 CA LEU A 57 6.442 1.036 3.724 1.00 44.13 C ATOM 867 C LEU A 57 6.244 1.091 5.235 1.00 34.31 C ATOM 868 O LEU A 57 5.378 0.408 5.782 1.00 32.34 O ATOM 869 CB LEU A 57 7.353 -0.138 3.360 1.00 51.12 C ATOM 870 CG LEU A 57 6.691 -1.516 3.326 1.00 13.24 C ATOM 871 CD1 LEU A 57 7.254 -2.351 2.188 1.00 63.44 C ATOM 872 CD2 LEU A 57 6.877 -2.230 4.657 1.00 4.43 C ATOM 0 H LEU A 57 7.867 2.176 2.689 1.00 1.12 H new ATOM 0 HA LEU A 57 5.469 0.893 3.254 1.00 44.13 H new ATOM 0 HB2 LEU A 57 7.790 0.057 2.381 1.00 51.12 H new ATOM 0 HB3 LEU A 57 8.175 -0.169 4.075 1.00 51.12 H new ATOM 0 HG LEU A 57 5.623 -1.380 3.155 1.00 13.24 H new ATOM 0 HD11 LEU A 57 6.771 -3.328 2.180 1.00 63.44 H new ATOM 0 HD12 LEU A 57 7.068 -1.846 1.240 1.00 63.44 H new ATOM 0 HD13 LEU A 57 8.328 -2.478 2.327 1.00 63.44 H new ATOM 0 HD21 LEU A 57 6.400 -3.209 4.615 1.00 4.43 H new ATOM 0 HD22 LEU A 57 7.941 -2.354 4.858 1.00 4.43 H new ATOM 0 HD23 LEU A 57 6.424 -1.639 5.453 1.00 4.43 H new ATOM 884 N ASP A 58 7.049 1.909 5.903 1.00 22.21 N ATOM 885 CA ASP A 58 6.960 2.056 7.351 1.00 30.33 C ATOM 886 C ASP A 58 5.639 2.706 7.751 1.00 21.22 C ATOM 887 O ASP A 58 4.870 2.142 8.530 1.00 45.32 O ATOM 888 CB ASP A 58 8.131 2.889 7.874 1.00 24.51 C ATOM 889 CG ASP A 58 8.965 2.139 8.895 1.00 72.22 C ATOM 890 OD1 ASP A 58 8.373 1.468 9.766 1.00 24.44 O ATOM 891 OD2 ASP A 58 10.208 2.223 8.821 1.00 24.44 O ATOM 0 H ASP A 58 7.771 2.481 5.465 1.00 22.21 H new ATOM 0 HA ASP A 58 7.005 1.062 7.795 1.00 30.33 H new ATOM 0 HB2 ASP A 58 8.765 3.185 7.038 1.00 24.51 H new ATOM 0 HB3 ASP A 58 7.749 3.805 8.324 1.00 24.51 H new ATOM 896 N GLN A 59 5.384 3.894 7.214 1.00 52.32 N ATOM 897 CA GLN A 59 4.157 4.621 7.517 1.00 54.34 C ATOM 898 C GLN A 59 2.929 3.800 7.136 1.00 23.34 C ATOM 899 O GLN A 59 1.956 3.733 7.889 1.00 41.34 O ATOM 900 CB GLN A 59 4.137 5.961 6.778 1.00 21.23 C ATOM 901 CG GLN A 59 4.780 7.095 7.559 1.00 3.42 C ATOM 902 CD GLN A 59 5.987 7.680 6.852 1.00 22.21 C ATOM 903 OE1 GLN A 59 5.879 8.199 5.741 1.00 52.21 O ATOM 904 NE2 GLN A 59 7.147 7.598 7.494 1.00 13.30 N ATOM 0 H GLN A 59 6.010 4.374 6.567 1.00 52.32 H new ATOM 0 HA GLN A 59 4.130 4.805 8.591 1.00 54.34 H new ATOM 0 HB2 GLN A 59 4.654 5.849 5.825 1.00 21.23 H new ATOM 0 HB3 GLN A 59 3.104 6.226 6.552 1.00 21.23 H new ATOM 0 HG2 GLN A 59 4.043 7.881 7.723 1.00 3.42 H new ATOM 0 HG3 GLN A 59 5.081 6.730 8.541 1.00 3.42 H new ATOM 0 HE21 GLN A 59 7.191 7.159 8.414 1.00 13.30 H new ATOM 0 HE22 GLN A 59 7.994 7.974 7.067 1.00 13.30 H new ATOM 913 N LEU A 60 2.981 3.176 5.965 1.00 62.51 N ATOM 914 CA LEU A 60 1.873 2.358 5.484 1.00 70.31 C ATOM 915 C LEU A 60 1.672 1.135 6.374 1.00 42.23 C ATOM 916 O LEU A 60 0.552 0.832 6.785 1.00 22.03 O ATOM 917 CB LEU A 60 2.127 1.917 4.041 1.00 24.45 C ATOM 918 CG LEU A 60 1.077 0.991 3.427 1.00 35.15 C ATOM 919 CD1 LEU A 60 0.096 1.785 2.579 1.00 41.25 C ATOM 920 CD2 LEU A 60 1.743 -0.097 2.598 1.00 23.03 C ATOM 0 H LEU A 60 3.779 3.221 5.331 1.00 62.51 H new ATOM 0 HA LEU A 60 0.966 2.962 5.518 1.00 70.31 H new ATOM 0 HB2 LEU A 60 2.205 2.808 3.418 1.00 24.45 H new ATOM 0 HB3 LEU A 60 3.093 1.415 4.001 1.00 24.45 H new ATOM 0 HG LEU A 60 0.524 0.514 4.236 1.00 35.15 H new ATOM 0 HD11 LEU A 60 -0.644 1.109 2.150 1.00 41.25 H new ATOM 0 HD12 LEU A 60 -0.406 2.526 3.201 1.00 41.25 H new ATOM 0 HD13 LEU A 60 0.634 2.290 1.777 1.00 41.25 H new ATOM 0 HD21 LEU A 60 0.980 -0.746 2.169 1.00 23.03 H new ATOM 0 HD22 LEU A 60 2.323 0.360 1.796 1.00 23.03 H new ATOM 0 HD23 LEU A 60 2.404 -0.686 3.234 1.00 23.03 H new ATOM 932 N ARG A 61 2.765 0.438 6.668 1.00 12.23 N ATOM 933 CA ARG A 61 2.709 -0.751 7.510 1.00 13.43 C ATOM 934 C ARG A 61 2.008 -0.448 8.832 1.00 72.54 C ATOM 935 O ARG A 61 1.224 -1.257 9.330 1.00 20.41 O ATOM 936 CB ARG A 61 4.119 -1.279 7.778 1.00 2.11 C ATOM 937 CG ARG A 61 4.153 -2.484 8.704 1.00 12.42 C ATOM 938 CD ARG A 61 4.572 -2.092 10.113 1.00 71.15 C ATOM 939 NE ARG A 61 5.280 -3.173 10.793 1.00 11.03 N ATOM 940 CZ ARG A 61 5.918 -3.021 11.948 1.00 12.44 C ATOM 941 NH1 ARG A 61 5.936 -1.838 12.549 1.00 70.54 N ATOM 942 NH2 ARG A 61 6.539 -4.052 12.506 1.00 60.22 N ATOM 0 H ARG A 61 3.699 0.676 6.336 1.00 12.23 H new ATOM 0 HA ARG A 61 2.137 -1.514 6.981 1.00 13.43 H new ATOM 0 HB2 ARG A 61 4.584 -1.547 6.829 1.00 2.11 H new ATOM 0 HB3 ARG A 61 4.720 -0.480 8.213 1.00 2.11 H new ATOM 0 HG2 ARG A 61 3.168 -2.950 8.733 1.00 12.42 H new ATOM 0 HG3 ARG A 61 4.846 -3.227 8.310 1.00 12.42 H new ATOM 0 HD2 ARG A 61 5.212 -1.211 10.069 1.00 71.15 H new ATOM 0 HD3 ARG A 61 3.689 -1.817 10.691 1.00 71.15 H new ATOM 0 HE ARG A 61 5.285 -4.095 10.357 1.00 11.03 H new ATOM 0 HH11 ARG A 61 5.459 -1.043 12.124 1.00 70.54 H new ATOM 0 HH12 ARG A 61 6.427 -1.724 13.436 1.00 70.54 H new ATOM 0 HH21 ARG A 61 6.527 -4.963 12.048 1.00 60.22 H new ATOM 0 HH22 ARG A 61 7.028 -3.933 13.393 1.00 60.22 H new ATOM 956 N LEU A 62 2.295 0.720 9.394 1.00 43.10 N ATOM 957 CA LEU A 62 1.693 1.130 10.658 1.00 22.40 C ATOM 958 C LEU A 62 0.199 1.388 10.491 1.00 2.11 C ATOM 959 O LEU A 62 -0.612 0.952 11.308 1.00 71.22 O ATOM 960 CB LEU A 62 2.383 2.386 11.191 1.00 44.51 C ATOM 961 CG LEU A 62 3.077 2.248 12.547 1.00 70.25 C ATOM 962 CD1 LEU A 62 2.096 1.757 13.600 1.00 23.21 C ATOM 963 CD2 LEU A 62 4.267 1.305 12.443 1.00 43.43 C ATOM 0 H LEU A 62 2.941 1.401 8.995 1.00 43.10 H new ATOM 0 HA LEU A 62 1.825 0.319 11.375 1.00 22.40 H new ATOM 0 HB2 LEU A 62 3.123 2.708 10.458 1.00 44.51 H new ATOM 0 HB3 LEU A 62 1.640 3.180 11.265 1.00 44.51 H new ATOM 0 HG LEU A 62 3.442 3.230 12.849 1.00 70.25 H new ATOM 0 HD11 LEU A 62 2.607 1.665 14.558 1.00 23.21 H new ATOM 0 HD12 LEU A 62 1.276 2.469 13.693 1.00 23.21 H new ATOM 0 HD13 LEU A 62 1.701 0.785 13.304 1.00 23.21 H new ATOM 0 HD21 LEU A 62 4.749 1.219 13.417 1.00 43.43 H new ATOM 0 HD22 LEU A 62 3.925 0.322 12.119 1.00 43.43 H new ATOM 0 HD23 LEU A 62 4.980 1.698 11.719 1.00 43.43 H new ATOM 975 N VAL A 63 -0.158 2.099 9.426 1.00 22.11 N ATOM 976 CA VAL A 63 -1.555 2.413 9.150 1.00 65.34 C ATOM 977 C VAL A 63 -2.410 1.151 9.140 1.00 21.33 C ATOM 978 O VAL A 63 -3.544 1.154 9.621 1.00 64.31 O ATOM 979 CB VAL A 63 -1.711 3.135 7.798 1.00 4.44 C ATOM 980 CG1 VAL A 63 -3.176 3.429 7.516 1.00 40.31 C ATOM 981 CG2 VAL A 63 -0.889 4.415 7.781 1.00 4.32 C ATOM 0 H VAL A 63 0.501 2.468 8.740 1.00 22.11 H new ATOM 0 HA VAL A 63 -1.895 3.073 9.948 1.00 65.34 H new ATOM 0 HB VAL A 63 -1.339 2.480 7.010 1.00 4.44 H new ATOM 0 HG11 VAL A 63 -3.267 3.939 6.557 1.00 40.31 H new ATOM 0 HG12 VAL A 63 -3.735 2.494 7.484 1.00 40.31 H new ATOM 0 HG13 VAL A 63 -3.578 4.065 8.305 1.00 40.31 H new ATOM 0 HG21 VAL A 63 -1.010 4.913 6.819 1.00 4.32 H new ATOM 0 HG22 VAL A 63 -1.230 5.077 8.577 1.00 4.32 H new ATOM 0 HG23 VAL A 63 0.163 4.174 7.935 1.00 4.32 H new ATOM 991 N ILE A 64 -1.859 0.074 8.591 1.00 73.52 N ATOM 992 CA ILE A 64 -2.571 -1.196 8.521 1.00 74.34 C ATOM 993 C ILE A 64 -2.761 -1.798 9.909 1.00 14.40 C ATOM 994 O ILE A 64 -3.887 -2.063 10.333 1.00 61.21 O ATOM 995 CB ILE A 64 -1.828 -2.210 7.632 1.00 63.54 C ATOM 996 CG1 ILE A 64 -1.640 -1.645 6.222 1.00 33.12 C ATOM 997 CG2 ILE A 64 -2.586 -3.528 7.583 1.00 31.41 C ATOM 998 CD1 ILE A 64 -0.756 -2.499 5.341 1.00 24.23 C ATOM 0 H ILE A 64 -0.922 0.055 8.188 1.00 73.52 H new ATOM 0 HA ILE A 64 -3.546 -0.986 8.082 1.00 74.34 H new ATOM 0 HB ILE A 64 -0.844 -2.395 8.063 1.00 63.54 H new ATOM 0 HG12 ILE A 64 -2.616 -1.539 5.749 1.00 33.12 H new ATOM 0 HG13 ILE A 64 -1.210 -0.646 6.294 1.00 33.12 H new ATOM 0 HG21 ILE A 64 -2.048 -4.234 6.951 1.00 31.41 H new ATOM 0 HG22 ILE A 64 -2.672 -3.936 8.590 1.00 31.41 H new ATOM 0 HG23 ILE A 64 -3.582 -3.360 7.173 1.00 31.41 H new ATOM 0 HD11 ILE A 64 -0.668 -2.037 4.358 1.00 24.23 H new ATOM 0 HD12 ILE A 64 0.233 -2.585 5.792 1.00 24.23 H new ATOM 0 HD13 ILE A 64 -1.195 -3.491 5.238 1.00 24.23 H new ATOM 1010 N CYS A 65 -1.655 -2.008 10.613 1.00 63.02 N ATOM 1011 CA CYS A 65 -1.699 -2.577 11.955 1.00 21.21 C ATOM 1012 C CYS A 65 -2.589 -1.743 12.870 1.00 32.03 C ATOM 1013 O CYS A 65 -3.287 -2.279 13.731 1.00 21.25 O ATOM 1014 CB CYS A 65 -0.289 -2.668 12.540 1.00 44.03 C ATOM 1015 SG CYS A 65 0.003 -4.146 13.539 1.00 35.50 S ATOM 0 H CYS A 65 -0.716 -1.793 10.277 1.00 63.02 H new ATOM 0 HA CYS A 65 -2.120 -3.580 11.884 1.00 21.21 H new ATOM 0 HB2 CYS A 65 0.433 -2.646 11.724 1.00 44.03 H new ATOM 0 HB3 CYS A 65 -0.104 -1.786 13.153 1.00 44.03 H new ATOM 0 HG CYS A 65 1.223 -4.133 13.987 1.00 35.50 H new ATOM 1021 N ASP A 66 -2.559 -0.429 12.679 1.00 2.21 N ATOM 1022 CA ASP A 66 -3.363 0.480 13.488 1.00 44.42 C ATOM 1023 C ASP A 66 -4.843 0.350 13.143 1.00 42.45 C ATOM 1024 O ASP A 66 -5.657 -0.026 13.986 1.00 15.35 O ATOM 1025 CB ASP A 66 -2.903 1.924 13.280 1.00 44.11 C ATOM 1026 CG ASP A 66 -3.054 2.766 14.532 1.00 61.13 C ATOM 1027 OD1 ASP A 66 -2.233 2.604 15.459 1.00 43.02 O ATOM 1028 OD2 ASP A 66 -3.993 3.587 14.584 1.00 41.11 O ATOM 0 H ASP A 66 -1.987 0.031 11.971 1.00 2.21 H new ATOM 0 HA ASP A 66 -3.228 0.211 14.536 1.00 44.42 H new ATOM 0 HB2 ASP A 66 -1.859 1.928 12.967 1.00 44.11 H new ATOM 0 HB3 ASP A 66 -3.480 2.373 12.472 1.00 44.11 H new ATOM 1033 N LEU A 67 -5.184 0.665 11.898 1.00 74.41 N ATOM 1034 CA LEU A 67 -6.567 0.584 11.441 1.00 54.05 C ATOM 1035 C LEU A 67 -7.159 -0.791 11.733 1.00 25.34 C ATOM 1036 O LEU A 67 -8.320 -0.907 12.125 1.00 64.15 O ATOM 1037 CB LEU A 67 -6.647 0.877 9.941 1.00 14.44 C ATOM 1038 CG LEU A 67 -7.961 0.505 9.254 1.00 72.33 C ATOM 1039 CD1 LEU A 67 -8.377 1.590 8.273 1.00 61.02 C ATOM 1040 CD2 LEU A 67 -7.831 -0.836 8.545 1.00 2.31 C ATOM 0 H LEU A 67 -4.523 0.979 11.188 1.00 74.41 H new ATOM 0 HA LEU A 67 -7.146 1.331 11.984 1.00 54.05 H new ATOM 0 HB2 LEU A 67 -6.469 1.942 9.789 1.00 14.44 H new ATOM 0 HB3 LEU A 67 -5.837 0.345 9.443 1.00 14.44 H new ATOM 0 HG LEU A 67 -8.735 0.417 10.016 1.00 72.33 H new ATOM 0 HD11 LEU A 67 -9.314 1.307 7.794 1.00 61.02 H new ATOM 0 HD12 LEU A 67 -8.512 2.531 8.807 1.00 61.02 H new ATOM 0 HD13 LEU A 67 -7.604 1.711 7.514 1.00 61.02 H new ATOM 0 HD21 LEU A 67 -8.776 -1.085 8.062 1.00 2.31 H new ATOM 0 HD22 LEU A 67 -7.044 -0.775 7.794 1.00 2.31 H new ATOM 0 HD23 LEU A 67 -7.580 -1.609 9.272 1.00 2.31 H new ATOM 1052 N GLN A 68 -6.351 -1.830 11.543 1.00 1.41 N ATOM 1053 CA GLN A 68 -6.794 -3.197 11.789 1.00 54.34 C ATOM 1054 C GLN A 68 -6.966 -3.453 13.282 1.00 20.51 C ATOM 1055 O GLN A 68 -7.887 -4.156 13.698 1.00 3.54 O ATOM 1056 CB GLN A 68 -5.795 -4.193 11.199 1.00 24.23 C ATOM 1057 CG GLN A 68 -6.153 -5.646 11.468 1.00 55.24 C ATOM 1058 CD GLN A 68 -5.176 -6.615 10.833 1.00 60.31 C ATOM 1059 OE1 GLN A 68 -4.292 -6.216 10.075 1.00 44.03 O ATOM 1060 NE2 GLN A 68 -5.330 -7.898 11.140 1.00 11.10 N ATOM 0 H GLN A 68 -5.387 -1.751 11.220 1.00 1.41 H new ATOM 0 HA GLN A 68 -7.760 -3.332 11.303 1.00 54.34 H new ATOM 0 HB2 GLN A 68 -5.732 -4.037 10.122 1.00 24.23 H new ATOM 0 HB3 GLN A 68 -4.806 -3.989 11.609 1.00 24.23 H new ATOM 0 HG2 GLN A 68 -6.180 -5.816 12.544 1.00 55.24 H new ATOM 0 HG3 GLN A 68 -7.155 -5.846 11.089 1.00 55.24 H new ATOM 0 HE21 GLN A 68 -6.077 -8.185 11.773 1.00 11.10 H new ATOM 0 HE22 GLN A 68 -4.702 -8.596 10.743 1.00 11.10 H new ATOM 1069 N GLU A 69 -6.073 -2.880 14.083 1.00 62.13 N ATOM 1070 CA GLU A 69 -6.126 -3.049 15.530 1.00 1.21 C ATOM 1071 C GLU A 69 -7.432 -2.498 16.095 1.00 74.15 C ATOM 1072 O GLU A 69 -8.137 -3.182 16.837 1.00 11.21 O ATOM 1073 CB GLU A 69 -4.937 -2.349 16.191 1.00 3.14 C ATOM 1074 CG GLU A 69 -3.751 -3.266 16.438 1.00 22.30 C ATOM 1075 CD GLU A 69 -2.492 -2.506 16.809 1.00 14.00 C ATOM 1076 OE1 GLU A 69 -2.372 -1.329 16.410 1.00 11.51 O ATOM 1077 OE2 GLU A 69 -1.628 -3.088 17.498 1.00 53.35 O ATOM 0 H GLU A 69 -5.305 -2.295 13.754 1.00 62.13 H new ATOM 0 HA GLU A 69 -6.078 -4.116 15.747 1.00 1.21 H new ATOM 0 HB2 GLU A 69 -4.618 -1.519 15.560 1.00 3.14 H new ATOM 0 HB3 GLU A 69 -5.260 -1.922 17.141 1.00 3.14 H new ATOM 0 HG2 GLU A 69 -3.997 -3.965 17.237 1.00 22.30 H new ATOM 0 HG3 GLU A 69 -3.562 -3.859 15.543 1.00 22.30 H new ATOM 1084 N ARG A 70 -7.748 -1.258 15.737 1.00 12.30 N ATOM 1085 CA ARG A 70 -8.968 -0.614 16.209 1.00 52.24 C ATOM 1086 C ARG A 70 -10.201 -1.268 15.592 1.00 33.04 C ATOM 1087 O ARG A 70 -11.155 -1.602 16.295 1.00 33.51 O ATOM 1088 CB ARG A 70 -8.946 0.878 15.870 1.00 34.05 C ATOM 1089 CG ARG A 70 -8.017 1.690 16.758 1.00 52.12 C ATOM 1090 CD ARG A 70 -8.726 2.171 18.014 1.00 30.34 C ATOM 1091 NE ARG A 70 -7.983 3.231 18.690 1.00 53.30 N ATOM 1092 CZ ARG A 70 -8.020 4.506 18.318 1.00 14.12 C ATOM 1093 NH1 ARG A 70 -8.760 4.877 17.282 1.00 34.33 N ATOM 1094 NH2 ARG A 70 -7.317 5.413 18.983 1.00 4.24 N ATOM 0 H ARG A 70 -7.176 -0.679 15.122 1.00 12.30 H new ATOM 0 HA ARG A 70 -9.017 -0.733 17.291 1.00 52.24 H new ATOM 0 HB2 ARG A 70 -8.641 1.001 14.831 1.00 34.05 H new ATOM 0 HB3 ARG A 70 -9.957 1.276 15.955 1.00 34.05 H new ATOM 0 HG2 ARG A 70 -7.155 1.083 17.035 1.00 52.12 H new ATOM 0 HG3 ARG A 70 -7.638 2.547 16.202 1.00 52.12 H new ATOM 0 HD2 ARG A 70 -9.720 2.535 17.753 1.00 30.34 H new ATOM 0 HD3 ARG A 70 -8.863 1.332 18.697 1.00 30.34 H new ATOM 0 HE ARG A 70 -7.404 2.979 19.491 1.00 53.30 H new ATOM 0 HH11 ARG A 70 -9.303 4.183 16.768 1.00 34.33 H new ATOM 0 HH12 ARG A 70 -8.786 5.857 16.999 1.00 34.33 H new ATOM 0 HH21 ARG A 70 -6.747 5.132 19.781 1.00 4.24 H new ATOM 0 HH22 ARG A 70 -7.346 6.391 18.696 1.00 4.24 H new ATOM 1108 N ARG A 71 -10.174 -1.447 14.276 1.00 54.33 N ATOM 1109 CA ARG A 71 -11.290 -2.059 13.565 1.00 53.02 C ATOM 1110 C ARG A 71 -11.605 -3.440 14.133 1.00 11.31 C ATOM 1111 O ARG A 71 -12.764 -3.768 14.384 1.00 70.10 O ATOM 1112 CB ARG A 71 -10.973 -2.170 12.073 1.00 64.25 C ATOM 1113 CG ARG A 71 -11.109 -0.856 11.321 1.00 11.02 C ATOM 1114 CD ARG A 71 -12.556 -0.391 11.271 1.00 0.42 C ATOM 1115 NE ARG A 71 -12.692 1.015 11.642 1.00 42.51 N ATOM 1116 CZ ARG A 71 -13.859 1.605 11.875 1.00 33.40 C ATOM 1117 NH1 ARG A 71 -14.986 0.913 11.777 1.00 71.34 N ATOM 1118 NH2 ARG A 71 -13.901 2.888 12.208 1.00 53.41 N ATOM 0 H ARG A 71 -9.391 -1.177 13.680 1.00 54.33 H new ATOM 0 HA ARG A 71 -12.165 -1.422 13.697 1.00 53.02 H new ATOM 0 HB2 ARG A 71 -9.956 -2.544 11.953 1.00 64.25 H new ATOM 0 HB3 ARG A 71 -11.638 -2.907 11.623 1.00 64.25 H new ATOM 0 HG2 ARG A 71 -10.497 -0.094 11.804 1.00 11.02 H new ATOM 0 HG3 ARG A 71 -10.728 -0.975 10.307 1.00 11.02 H new ATOM 0 HD2 ARG A 71 -12.950 -0.540 10.266 1.00 0.42 H new ATOM 0 HD3 ARG A 71 -13.157 -1.003 11.943 1.00 0.42 H new ATOM 0 HE ARG A 71 -11.844 1.575 11.727 1.00 42.51 H new ATOM 0 HH11 ARG A 71 -14.958 -0.074 11.522 1.00 71.34 H new ATOM 0 HH12 ARG A 71 -15.881 1.368 11.956 1.00 71.34 H new ATOM 0 HH21 ARG A 71 -13.036 3.423 12.286 1.00 53.41 H new ATOM 0 HH22 ARG A 71 -14.798 3.339 12.387 1.00 53.41 H new ATOM 1132 N GLU A 72 -10.565 -4.243 14.333 1.00 61.14 N ATOM 1133 CA GLU A 72 -10.732 -5.588 14.870 1.00 63.53 C ATOM 1134 C GLU A 72 -11.403 -5.548 16.240 1.00 61.04 C ATOM 1135 O GLU A 72 -12.375 -6.262 16.489 1.00 5.22 O ATOM 1136 CB GLU A 72 -9.377 -6.292 14.974 1.00 4.52 C ATOM 1137 CG GLU A 72 -9.435 -7.620 15.710 1.00 52.32 C ATOM 1138 CD GLU A 72 -8.159 -8.426 15.561 1.00 14.30 C ATOM 1139 OE1 GLU A 72 -7.701 -8.605 14.414 1.00 63.23 O ATOM 1140 OE2 GLU A 72 -7.620 -8.877 16.593 1.00 4.31 O ATOM 0 H GLU A 72 -9.599 -3.986 14.131 1.00 61.14 H new ATOM 0 HA GLU A 72 -11.372 -6.147 14.187 1.00 63.53 H new ATOM 0 HB2 GLU A 72 -8.986 -6.459 13.970 1.00 4.52 H new ATOM 0 HB3 GLU A 72 -8.674 -5.634 15.484 1.00 4.52 H new ATOM 0 HG2 GLU A 72 -9.623 -7.437 16.768 1.00 52.32 H new ATOM 0 HG3 GLU A 72 -10.275 -8.204 15.333 1.00 52.32 H new ATOM 1147 N LYS A 73 -10.877 -4.708 17.125 1.00 72.12 N ATOM 1148 CA LYS A 73 -11.424 -4.572 18.470 1.00 61.23 C ATOM 1149 C LYS A 73 -12.923 -4.296 18.422 1.00 13.21 C ATOM 1150 O LYS A 73 -13.687 -4.818 19.234 1.00 20.23 O ATOM 1151 CB LYS A 73 -10.710 -3.446 19.221 1.00 15.00 C ATOM 1152 CG LYS A 73 -10.089 -3.889 20.534 1.00 31.22 C ATOM 1153 CD LYS A 73 -10.223 -2.819 21.604 1.00 13.41 C ATOM 1154 CE LYS A 73 -11.535 -2.951 22.363 1.00 2.41 C ATOM 1155 NZ LYS A 73 -12.648 -2.241 21.675 1.00 51.44 N ATOM 0 H LYS A 73 -10.072 -4.111 16.935 1.00 72.12 H new ATOM 0 HA LYS A 73 -11.263 -5.512 18.998 1.00 61.23 H new ATOM 0 HB2 LYS A 73 -9.931 -3.032 18.582 1.00 15.00 H new ATOM 0 HB3 LYS A 73 -11.421 -2.644 19.418 1.00 15.00 H new ATOM 0 HG2 LYS A 73 -10.570 -4.806 20.874 1.00 31.22 H new ATOM 0 HG3 LYS A 73 -9.035 -4.120 20.379 1.00 31.22 H new ATOM 0 HD2 LYS A 73 -9.389 -2.894 22.302 1.00 13.41 H new ATOM 0 HD3 LYS A 73 -10.166 -1.833 21.143 1.00 13.41 H new ATOM 0 HE2 LYS A 73 -11.788 -4.006 22.470 1.00 2.41 H new ATOM 0 HE3 LYS A 73 -11.415 -2.549 23.369 1.00 2.41 H new ATOM 0 HZ1 LYS A 73 -13.415 -2.059 22.353 1.00 51.44 H new ATOM 0 HZ2 LYS A 73 -12.301 -1.337 21.295 1.00 51.44 H new ATOM 0 HZ3 LYS A 73 -13.006 -2.830 20.896 1.00 51.44 H new ATOM 1169 N PHE A 74 -13.338 -3.473 17.465 1.00 15.41 N ATOM 1170 CA PHE A 74 -14.747 -3.127 17.311 1.00 20.45 C ATOM 1171 C PHE A 74 -15.518 -4.268 16.654 1.00 20.42 C ATOM 1172 O PHE A 74 -16.724 -4.412 16.851 1.00 22.04 O ATOM 1173 CB PHE A 74 -14.894 -1.852 16.479 1.00 5.12 C ATOM 1174 CG PHE A 74 -15.611 -0.746 17.199 1.00 42.31 C ATOM 1175 CD1 PHE A 74 -16.990 -0.767 17.331 1.00 61.14 C ATOM 1176 CD2 PHE A 74 -14.906 0.315 17.744 1.00 1.21 C ATOM 1177 CE1 PHE A 74 -17.652 0.250 17.992 1.00 73.04 C ATOM 1178 CE2 PHE A 74 -15.563 1.335 18.407 1.00 42.03 C ATOM 1179 CZ PHE A 74 -16.938 1.302 18.531 1.00 22.44 C ATOM 0 H PHE A 74 -12.719 -3.033 16.784 1.00 15.41 H new ATOM 0 HA PHE A 74 -15.163 -2.954 18.304 1.00 20.45 H new ATOM 0 HB2 PHE A 74 -13.904 -1.502 16.187 1.00 5.12 H new ATOM 0 HB3 PHE A 74 -15.433 -2.087 15.561 1.00 5.12 H new ATOM 0 HD1 PHE A 74 -17.554 -1.588 16.913 1.00 61.14 H new ATOM 0 HD2 PHE A 74 -13.831 0.346 17.650 1.00 1.21 H new ATOM 0 HE1 PHE A 74 -18.727 0.222 18.087 1.00 73.04 H new ATOM 0 HE2 PHE A 74 -15.002 2.156 18.827 1.00 42.03 H new ATOM 0 HZ PHE A 74 -17.454 2.097 19.048 1.00 22.44 H new ATOM 1189 N GLY A 75 -14.812 -5.078 15.871 1.00 62.04 N ATOM 1190 CA GLY A 75 -15.445 -6.195 15.195 1.00 33.32 C ATOM 1191 C GLY A 75 -14.735 -6.574 13.911 1.00 74.43 C ATOM 1192 O GLY A 75 -13.629 -6.105 13.643 1.00 32.31 O ATOM 0 H GLY A 75 -13.812 -4.980 15.693 1.00 62.04 H new ATOM 0 HA2 GLY A 75 -15.465 -7.056 15.863 1.00 33.32 H new ATOM 0 HA3 GLY A 75 -16.481 -5.941 14.972 1.00 33.32 H new ATOM 1196 N SER A 76 -15.372 -7.427 13.114 1.00 23.42 N ATOM 1197 CA SER A 76 -14.791 -7.874 11.853 1.00 14.21 C ATOM 1198 C SER A 76 -15.825 -7.824 10.732 1.00 62.21 C ATOM 1199 O SER A 76 -16.954 -8.288 10.892 1.00 24.31 O ATOM 1200 CB SER A 76 -14.243 -9.295 11.994 1.00 34.24 C ATOM 1201 OG SER A 76 -14.615 -9.864 13.238 1.00 54.11 O ATOM 0 H SER A 76 -16.290 -7.822 13.319 1.00 23.42 H new ATOM 0 HA SER A 76 -13.972 -7.201 11.600 1.00 14.21 H new ATOM 0 HB2 SER A 76 -14.618 -9.915 11.180 1.00 34.24 H new ATOM 0 HB3 SER A 76 -13.157 -9.279 11.908 1.00 34.24 H new ATOM 0 HG SER A 76 -14.254 -10.773 13.303 1.00 54.11 H new ATOM 1207 N SER A 77 -15.430 -7.258 9.596 1.00 2.42 N ATOM 1208 CA SER A 77 -16.322 -7.143 8.448 1.00 1.04 C ATOM 1209 C SER A 77 -15.554 -7.325 7.143 1.00 63.40 C ATOM 1210 O SER A 77 -14.384 -6.954 7.039 1.00 34.05 O ATOM 1211 CB SER A 77 -17.023 -5.783 8.455 1.00 75.42 C ATOM 1212 OG SER A 77 -16.307 -4.836 7.683 1.00 44.15 O ATOM 0 H SER A 77 -14.498 -6.872 9.446 1.00 2.42 H new ATOM 0 HA SER A 77 -17.072 -7.931 8.521 1.00 1.04 H new ATOM 0 HB2 SER A 77 -18.033 -5.889 8.060 1.00 75.42 H new ATOM 0 HB3 SER A 77 -17.117 -5.424 9.480 1.00 75.42 H new ATOM 0 HG SER A 77 -16.777 -3.976 7.702 1.00 44.15 H new ATOM 1218 N LYS A 78 -16.220 -7.900 6.147 1.00 23.44 N ATOM 1219 CA LYS A 78 -15.603 -8.132 4.847 1.00 63.42 C ATOM 1220 C LYS A 78 -14.978 -6.851 4.305 1.00 44.12 C ATOM 1221 O LYS A 78 -13.924 -6.884 3.671 1.00 62.44 O ATOM 1222 CB LYS A 78 -16.639 -8.666 3.855 1.00 14.34 C ATOM 1223 CG LYS A 78 -16.789 -10.177 3.886 1.00 14.13 C ATOM 1224 CD LYS A 78 -16.006 -10.838 2.765 1.00 72.05 C ATOM 1225 CE LYS A 78 -16.922 -11.296 1.640 1.00 52.11 C ATOM 1226 NZ LYS A 78 -16.433 -12.549 1.002 1.00 71.33 N ATOM 0 H LYS A 78 -17.188 -8.214 6.216 1.00 23.44 H new ATOM 0 HA LYS A 78 -14.815 -8.874 4.974 1.00 63.42 H new ATOM 0 HB2 LYS A 78 -17.605 -8.209 4.070 1.00 14.34 H new ATOM 0 HB3 LYS A 78 -16.358 -8.358 2.848 1.00 14.34 H new ATOM 0 HG2 LYS A 78 -16.443 -10.558 4.847 1.00 14.13 H new ATOM 0 HG3 LYS A 78 -17.843 -10.441 3.799 1.00 14.13 H new ATOM 0 HD2 LYS A 78 -15.268 -10.138 2.373 1.00 72.05 H new ATOM 0 HD3 LYS A 78 -15.456 -11.693 3.159 1.00 72.05 H new ATOM 0 HE2 LYS A 78 -17.926 -11.456 2.032 1.00 52.11 H new ATOM 0 HE3 LYS A 78 -16.995 -10.510 0.888 1.00 52.11 H new ATOM 0 HZ1 LYS A 78 -17.084 -12.828 0.241 1.00 71.33 H new ATOM 0 HZ2 LYS A 78 -15.485 -12.390 0.605 1.00 71.33 H new ATOM 0 HZ3 LYS A 78 -16.388 -13.306 1.714 1.00 71.33 H new ATOM 1240 N GLU A 79 -15.634 -5.723 4.560 1.00 30.54 N ATOM 1241 CA GLU A 79 -15.141 -4.432 4.098 1.00 42.41 C ATOM 1242 C GLU A 79 -13.777 -4.120 4.708 1.00 50.24 C ATOM 1243 O GLU A 79 -12.828 -3.789 3.996 1.00 53.12 O ATOM 1244 CB GLU A 79 -16.135 -3.324 4.453 1.00 74.24 C ATOM 1245 CG GLU A 79 -17.195 -3.094 3.388 1.00 32.23 C ATOM 1246 CD GLU A 79 -18.130 -1.951 3.733 1.00 20.24 C ATOM 1247 OE1 GLU A 79 -17.851 -1.231 4.715 1.00 61.24 O ATOM 1248 OE2 GLU A 79 -19.141 -1.777 3.021 1.00 10.11 O ATOM 0 H GLU A 79 -16.508 -5.678 5.084 1.00 30.54 H new ATOM 0 HA GLU A 79 -15.033 -4.480 3.014 1.00 42.41 H new ATOM 0 HB2 GLU A 79 -16.625 -3.575 5.394 1.00 74.24 H new ATOM 0 HB3 GLU A 79 -15.588 -2.395 4.616 1.00 74.24 H new ATOM 0 HG2 GLU A 79 -16.708 -2.885 2.435 1.00 32.23 H new ATOM 0 HG3 GLU A 79 -17.776 -4.007 3.256 1.00 32.23 H new ATOM 1255 N ILE A 80 -13.688 -4.228 6.029 1.00 42.51 N ATOM 1256 CA ILE A 80 -12.441 -3.958 6.734 1.00 11.14 C ATOM 1257 C ILE A 80 -11.370 -4.980 6.369 1.00 75.41 C ATOM 1258 O ILE A 80 -10.231 -4.622 6.072 1.00 42.23 O ATOM 1259 CB ILE A 80 -12.645 -3.968 8.261 1.00 44.20 C ATOM 1260 CG1 ILE A 80 -13.749 -2.986 8.656 1.00 15.14 C ATOM 1261 CG2 ILE A 80 -11.344 -3.624 8.971 1.00 42.21 C ATOM 1262 CD1 ILE A 80 -14.151 -3.082 10.112 1.00 60.23 C ATOM 0 H ILE A 80 -14.464 -4.500 6.633 1.00 42.51 H new ATOM 0 HA ILE A 80 -12.112 -2.966 6.425 1.00 11.14 H new ATOM 0 HB ILE A 80 -12.949 -4.969 8.566 1.00 44.20 H new ATOM 0 HG12 ILE A 80 -13.413 -1.971 8.446 1.00 15.14 H new ATOM 0 HG13 ILE A 80 -14.625 -3.167 8.033 1.00 15.14 H new ATOM 0 HG21 ILE A 80 -11.504 -3.635 10.049 1.00 42.21 H new ATOM 0 HG22 ILE A 80 -10.582 -4.358 8.710 1.00 42.21 H new ATOM 0 HG23 ILE A 80 -11.013 -2.632 8.663 1.00 42.21 H new ATOM 0 HD11 ILE A 80 -14.938 -2.357 10.321 1.00 60.23 H new ATOM 0 HD12 ILE A 80 -14.518 -4.087 10.323 1.00 60.23 H new ATOM 0 HD13 ILE A 80 -13.287 -2.872 10.743 1.00 60.23 H new ATOM 1274 N ASP A 81 -11.745 -6.255 6.391 1.00 11.34 N ATOM 1275 CA ASP A 81 -10.818 -7.330 6.060 1.00 61.25 C ATOM 1276 C ASP A 81 -10.270 -7.159 4.646 1.00 11.42 C ATOM 1277 O ASP A 81 -9.060 -7.216 4.428 1.00 53.21 O ATOM 1278 CB ASP A 81 -11.510 -8.688 6.190 1.00 13.31 C ATOM 1279 CG ASP A 81 -11.939 -8.985 7.614 1.00 42.53 C ATOM 1280 OD1 ASP A 81 -11.077 -8.934 8.516 1.00 4.41 O ATOM 1281 OD2 ASP A 81 -13.136 -9.267 7.826 1.00 54.13 O ATOM 0 H ASP A 81 -12.685 -6.568 6.635 1.00 11.34 H new ATOM 0 HA ASP A 81 -9.985 -7.286 6.762 1.00 61.25 H new ATOM 0 HB2 ASP A 81 -12.383 -8.711 5.538 1.00 13.31 H new ATOM 0 HB3 ASP A 81 -10.834 -9.471 5.846 1.00 13.31 H new ATOM 1286 N MET A 82 -11.169 -6.949 3.690 1.00 60.00 N ATOM 1287 CA MET A 82 -10.775 -6.769 2.297 1.00 30.15 C ATOM 1288 C MET A 82 -9.856 -5.561 2.144 1.00 14.01 C ATOM 1289 O MET A 82 -8.956 -5.557 1.305 1.00 54.41 O ATOM 1290 CB MET A 82 -12.012 -6.600 1.413 1.00 2.51 C ATOM 1291 CG MET A 82 -12.692 -7.913 1.061 1.00 2.40 C ATOM 1292 SD MET A 82 -13.697 -7.796 -0.431 1.00 61.14 S ATOM 1293 CE MET A 82 -15.303 -7.427 0.270 1.00 31.02 C ATOM 0 H MET A 82 -12.175 -6.899 3.854 1.00 60.00 H new ATOM 0 HA MET A 82 -10.231 -7.659 1.981 1.00 30.15 H new ATOM 0 HB2 MET A 82 -12.728 -5.955 1.923 1.00 2.51 H new ATOM 0 HB3 MET A 82 -11.724 -6.091 0.493 1.00 2.51 H new ATOM 0 HG2 MET A 82 -11.935 -8.685 0.925 1.00 2.40 H new ATOM 0 HG3 MET A 82 -13.321 -8.227 1.894 1.00 2.40 H new ATOM 0 HE1 MET A 82 -15.916 -6.918 -0.474 1.00 31.02 H new ATOM 0 HE2 MET A 82 -15.791 -8.354 0.570 1.00 31.02 H new ATOM 0 HE3 MET A 82 -15.181 -6.783 1.141 1.00 31.02 H new ATOM 1303 N ALA A 83 -10.090 -4.538 2.960 1.00 72.12 N ATOM 1304 CA ALA A 83 -9.283 -3.326 2.915 1.00 5.44 C ATOM 1305 C ALA A 83 -7.823 -3.626 3.237 1.00 24.32 C ATOM 1306 O ALA A 83 -6.923 -3.263 2.479 1.00 2.22 O ATOM 1307 CB ALA A 83 -9.835 -2.288 3.881 1.00 0.23 C ATOM 0 H ALA A 83 -10.832 -4.525 3.660 1.00 72.12 H new ATOM 0 HA ALA A 83 -9.330 -2.926 1.902 1.00 5.44 H new ATOM 0 HB1 ALA A 83 -9.222 -1.388 3.837 1.00 0.23 H new ATOM 0 HB2 ALA A 83 -10.861 -2.043 3.605 1.00 0.23 H new ATOM 0 HB3 ALA A 83 -9.818 -2.689 4.894 1.00 0.23 H new ATOM 1313 N ILE A 84 -7.595 -4.291 4.365 1.00 0.21 N ATOM 1314 CA ILE A 84 -6.244 -4.640 4.786 1.00 61.11 C ATOM 1315 C ILE A 84 -5.559 -5.530 3.754 1.00 54.10 C ATOM 1316 O ILE A 84 -4.357 -5.413 3.518 1.00 61.15 O ATOM 1317 CB ILE A 84 -6.247 -5.360 6.147 1.00 22.42 C ATOM 1318 CG1 ILE A 84 -6.902 -4.480 7.213 1.00 5.24 C ATOM 1319 CG2 ILE A 84 -4.828 -5.729 6.555 1.00 40.44 C ATOM 1320 CD1 ILE A 84 -7.329 -5.242 8.448 1.00 62.30 C ATOM 0 H ILE A 84 -8.329 -4.599 5.003 1.00 0.21 H new ATOM 0 HA ILE A 84 -5.691 -3.705 4.880 1.00 61.11 H new ATOM 0 HB ILE A 84 -6.827 -6.278 6.054 1.00 22.42 H new ATOM 0 HG12 ILE A 84 -6.204 -3.695 7.504 1.00 5.24 H new ATOM 0 HG13 ILE A 84 -7.773 -3.987 6.781 1.00 5.24 H new ATOM 0 HG21 ILE A 84 -4.847 -6.237 7.519 1.00 40.44 H new ATOM 0 HG22 ILE A 84 -4.394 -6.390 5.805 1.00 40.44 H new ATOM 0 HG23 ILE A 84 -4.225 -4.824 6.634 1.00 40.44 H new ATOM 0 HD11 ILE A 84 -7.785 -4.554 9.160 1.00 62.30 H new ATOM 0 HD12 ILE A 84 -8.052 -6.009 8.170 1.00 62.30 H new ATOM 0 HD13 ILE A 84 -6.458 -5.712 8.905 1.00 62.30 H new ATOM 1332 N VAL A 85 -6.334 -6.419 3.140 1.00 11.12 N ATOM 1333 CA VAL A 85 -5.804 -7.327 2.131 1.00 64.34 C ATOM 1334 C VAL A 85 -5.219 -6.558 0.952 1.00 43.42 C ATOM 1335 O VAL A 85 -4.082 -6.795 0.543 1.00 64.32 O ATOM 1336 CB VAL A 85 -6.891 -8.288 1.614 1.00 63.24 C ATOM 1337 CG1 VAL A 85 -6.326 -9.206 0.540 1.00 24.14 C ATOM 1338 CG2 VAL A 85 -7.478 -9.095 2.762 1.00 62.12 C ATOM 0 H VAL A 85 -7.331 -6.529 3.324 1.00 11.12 H new ATOM 0 HA VAL A 85 -5.015 -7.907 2.610 1.00 64.34 H new ATOM 0 HB VAL A 85 -7.692 -7.697 1.169 1.00 63.24 H new ATOM 0 HG11 VAL A 85 -7.109 -9.878 0.187 1.00 24.14 H new ATOM 0 HG12 VAL A 85 -5.958 -8.608 -0.293 1.00 24.14 H new ATOM 0 HG13 VAL A 85 -5.506 -9.791 0.956 1.00 24.14 H new ATOM 0 HG21 VAL A 85 -8.244 -9.769 2.379 1.00 62.12 H new ATOM 0 HG22 VAL A 85 -6.689 -9.677 3.239 1.00 62.12 H new ATOM 0 HG23 VAL A 85 -7.922 -8.419 3.493 1.00 62.12 H new ATOM 1348 N THR A 86 -6.003 -5.632 0.408 1.00 34.22 N ATOM 1349 CA THR A 86 -5.564 -4.827 -0.724 1.00 72.15 C ATOM 1350 C THR A 86 -4.289 -4.061 -0.393 1.00 25.30 C ATOM 1351 O THR A 86 -3.350 -4.024 -1.190 1.00 0.41 O ATOM 1352 CB THR A 86 -6.652 -3.827 -1.158 1.00 12.51 C ATOM 1353 OG1 THR A 86 -6.916 -2.900 -0.098 1.00 61.13 O ATOM 1354 CG2 THR A 86 -7.935 -4.552 -1.535 1.00 50.22 C ATOM 0 H THR A 86 -6.946 -5.421 0.734 1.00 34.22 H new ATOM 0 HA THR A 86 -5.367 -5.517 -1.544 1.00 72.15 H new ATOM 0 HB THR A 86 -6.289 -3.286 -2.032 1.00 12.51 H new ATOM 0 HG1 THR A 86 -7.169 -3.392 0.711 1.00 61.13 H new ATOM 0 HG21 THR A 86 -8.688 -3.825 -1.838 1.00 50.22 H new ATOM 0 HG22 THR A 86 -7.738 -5.235 -2.361 1.00 50.22 H new ATOM 0 HG23 THR A 86 -8.300 -5.116 -0.677 1.00 50.22 H new ATOM 1362 N LEU A 87 -4.259 -3.452 0.787 1.00 35.43 N ATOM 1363 CA LEU A 87 -3.097 -2.687 1.225 1.00 31.31 C ATOM 1364 C LEU A 87 -1.856 -3.571 1.288 1.00 23.24 C ATOM 1365 O LEU A 87 -0.742 -3.117 1.024 1.00 13.24 O ATOM 1366 CB LEU A 87 -3.361 -2.060 2.595 1.00 32.31 C ATOM 1367 CG LEU A 87 -3.772 -0.587 2.591 1.00 25.33 C ATOM 1368 CD1 LEU A 87 -4.038 -0.104 4.008 1.00 13.23 C ATOM 1369 CD2 LEU A 87 -2.698 0.264 1.929 1.00 61.32 C ATOM 0 H LEU A 87 -5.027 -3.473 1.458 1.00 35.43 H new ATOM 0 HA LEU A 87 -2.919 -1.894 0.498 1.00 31.31 H new ATOM 0 HB2 LEU A 87 -4.144 -2.634 3.090 1.00 32.31 H new ATOM 0 HB3 LEU A 87 -2.460 -2.163 3.199 1.00 32.31 H new ATOM 0 HG LEU A 87 -4.693 -0.488 2.016 1.00 25.33 H new ATOM 0 HD11 LEU A 87 -4.329 0.946 3.986 1.00 13.23 H new ATOM 0 HD12 LEU A 87 -4.841 -0.694 4.449 1.00 13.23 H new ATOM 0 HD13 LEU A 87 -3.134 -0.217 4.607 1.00 13.23 H new ATOM 0 HD21 LEU A 87 -3.007 1.309 1.935 1.00 61.32 H new ATOM 0 HD22 LEU A 87 -1.762 0.159 2.477 1.00 61.32 H new ATOM 0 HD23 LEU A 87 -2.555 -0.066 0.900 1.00 61.32 H new ATOM 1381 N LYS A 88 -2.055 -4.838 1.638 1.00 4.53 N ATOM 1382 CA LYS A 88 -0.953 -5.788 1.733 1.00 2.31 C ATOM 1383 C LYS A 88 -0.402 -6.122 0.350 1.00 33.35 C ATOM 1384 O LYS A 88 0.763 -5.859 0.055 1.00 25.10 O ATOM 1385 CB LYS A 88 -1.415 -7.068 2.433 1.00 1.32 C ATOM 1386 CG LYS A 88 -0.584 -7.428 3.653 1.00 52.13 C ATOM 1387 CD LYS A 88 -1.415 -7.389 4.924 1.00 21.25 C ATOM 1388 CE LYS A 88 -0.719 -8.113 6.067 1.00 2.41 C ATOM 1389 NZ LYS A 88 -1.508 -8.046 7.328 1.00 21.22 N ATOM 0 H LYS A 88 -2.970 -5.230 1.861 1.00 4.53 H new ATOM 0 HA LYS A 88 -0.158 -5.327 2.320 1.00 2.31 H new ATOM 0 HB2 LYS A 88 -2.456 -6.952 2.734 1.00 1.32 H new ATOM 0 HB3 LYS A 88 -1.379 -7.894 1.723 1.00 1.32 H new ATOM 0 HG2 LYS A 88 -0.160 -8.424 3.525 1.00 52.13 H new ATOM 0 HG3 LYS A 88 0.252 -6.735 3.742 1.00 52.13 H new ATOM 0 HD2 LYS A 88 -1.600 -6.353 5.207 1.00 21.25 H new ATOM 0 HD3 LYS A 88 -2.386 -7.848 4.739 1.00 21.25 H new ATOM 0 HE2 LYS A 88 -0.560 -9.156 5.793 1.00 2.41 H new ATOM 0 HE3 LYS A 88 0.265 -7.673 6.230 1.00 2.41 H new ATOM 0 HZ1 LYS A 88 -1.000 -8.551 8.082 1.00 21.22 H new ATOM 0 HZ2 LYS A 88 -1.638 -7.052 7.604 1.00 21.22 H new ATOM 0 HZ3 LYS A 88 -2.437 -8.489 7.180 1.00 21.22 H new ATOM 1403 N VAL A 89 -1.249 -6.703 -0.494 1.00 41.11 N ATOM 1404 CA VAL A 89 -0.848 -7.071 -1.847 1.00 4.14 C ATOM 1405 C VAL A 89 -0.328 -5.861 -2.614 1.00 43.41 C ATOM 1406 O VAL A 89 0.660 -5.952 -3.343 1.00 40.24 O ATOM 1407 CB VAL A 89 -2.018 -7.697 -2.628 1.00 42.14 C ATOM 1408 CG1 VAL A 89 -1.539 -8.229 -3.971 1.00 14.32 C ATOM 1409 CG2 VAL A 89 -2.674 -8.800 -1.812 1.00 10.11 C ATOM 0 H VAL A 89 -2.217 -6.929 -0.265 1.00 41.11 H new ATOM 0 HA VAL A 89 -0.050 -7.807 -1.752 1.00 4.14 H new ATOM 0 HB VAL A 89 -2.763 -6.923 -2.815 1.00 42.14 H new ATOM 0 HG11 VAL A 89 -2.379 -8.668 -4.509 1.00 14.32 H new ATOM 0 HG12 VAL A 89 -1.119 -7.412 -4.557 1.00 14.32 H new ATOM 0 HG13 VAL A 89 -0.775 -8.989 -3.810 1.00 14.32 H new ATOM 0 HG21 VAL A 89 -3.499 -9.231 -2.380 1.00 10.11 H new ATOM 0 HG22 VAL A 89 -1.940 -9.576 -1.592 1.00 10.11 H new ATOM 0 HG23 VAL A 89 -3.054 -8.385 -0.878 1.00 10.11 H new ATOM 1419 N PHE A 90 -0.999 -4.726 -2.445 1.00 31.35 N ATOM 1420 CA PHE A 90 -0.605 -3.496 -3.122 1.00 34.32 C ATOM 1421 C PHE A 90 0.724 -2.979 -2.581 1.00 24.33 C ATOM 1422 O PHE A 90 1.500 -2.355 -3.304 1.00 10.55 O ATOM 1423 CB PHE A 90 -1.687 -2.428 -2.954 1.00 14.33 C ATOM 1424 CG PHE A 90 -1.273 -1.072 -3.449 1.00 2.42 C ATOM 1425 CD1 PHE A 90 -0.698 -0.923 -4.701 1.00 4.34 C ATOM 1426 CD2 PHE A 90 -1.459 0.054 -2.663 1.00 4.12 C ATOM 1427 CE1 PHE A 90 -0.314 0.324 -5.158 1.00 74.11 C ATOM 1428 CE2 PHE A 90 -1.078 1.303 -3.115 1.00 42.53 C ATOM 1429 CZ PHE A 90 -0.506 1.438 -4.365 1.00 41.51 C ATOM 0 H PHE A 90 -1.818 -4.633 -1.845 1.00 31.35 H new ATOM 0 HA PHE A 90 -0.484 -3.717 -4.182 1.00 34.32 H new ATOM 0 HB2 PHE A 90 -2.583 -2.743 -3.489 1.00 14.33 H new ATOM 0 HB3 PHE A 90 -1.954 -2.355 -1.900 1.00 14.33 H new ATOM 0 HD1 PHE A 90 -0.548 -1.791 -5.327 1.00 4.34 H new ATOM 0 HD2 PHE A 90 -1.907 -0.046 -1.685 1.00 4.12 H new ATOM 0 HE1 PHE A 90 0.136 0.427 -6.134 1.00 74.11 H new ATOM 0 HE2 PHE A 90 -1.227 2.172 -2.492 1.00 42.53 H new ATOM 0 HZ PHE A 90 -0.209 2.413 -4.722 1.00 41.51 H new ATOM 1439 N ALA A 91 0.980 -3.244 -1.304 1.00 31.33 N ATOM 1440 CA ALA A 91 2.215 -2.808 -0.665 1.00 44.33 C ATOM 1441 C ALA A 91 3.425 -3.513 -1.269 1.00 74.55 C ATOM 1442 O ALA A 91 4.419 -2.876 -1.617 1.00 53.20 O ATOM 1443 CB ALA A 91 2.151 -3.057 0.834 1.00 2.23 C ATOM 0 H ALA A 91 0.348 -3.759 -0.691 1.00 31.33 H new ATOM 0 HA ALA A 91 2.326 -1.738 -0.840 1.00 44.33 H new ATOM 0 HB1 ALA A 91 3.080 -2.726 1.298 1.00 2.23 H new ATOM 0 HB2 ALA A 91 1.315 -2.502 1.260 1.00 2.23 H new ATOM 0 HB3 ALA A 91 2.011 -4.122 1.020 1.00 2.23 H new ATOM 1449 N VAL A 92 3.334 -4.834 -1.391 1.00 75.03 N ATOM 1450 CA VAL A 92 4.420 -5.627 -1.954 1.00 43.40 C ATOM 1451 C VAL A 92 4.420 -5.557 -3.477 1.00 1.31 C ATOM 1452 O VAL A 92 5.405 -5.146 -4.090 1.00 0.23 O ATOM 1453 CB VAL A 92 4.323 -7.101 -1.519 1.00 4.12 C ATOM 1454 CG1 VAL A 92 5.563 -7.869 -1.953 1.00 13.40 C ATOM 1455 CG2 VAL A 92 4.125 -7.200 -0.014 1.00 0.32 C ATOM 0 H VAL A 92 2.519 -5.377 -1.107 1.00 75.03 H new ATOM 0 HA VAL A 92 5.350 -5.204 -1.574 1.00 43.40 H new ATOM 0 HB VAL A 92 3.458 -7.549 -2.007 1.00 4.12 H new ATOM 0 HG11 VAL A 92 5.476 -8.909 -1.637 1.00 13.40 H new ATOM 0 HG12 VAL A 92 5.656 -7.826 -3.038 1.00 13.40 H new ATOM 0 HG13 VAL A 92 6.446 -7.423 -1.495 1.00 13.40 H new ATOM 0 HG21 VAL A 92 4.058 -8.249 0.276 1.00 0.32 H new ATOM 0 HG22 VAL A 92 4.969 -6.735 0.495 1.00 0.32 H new ATOM 0 HG23 VAL A 92 3.205 -6.687 0.266 1.00 0.32 H new ATOM 1465 N ALA A 93 3.308 -5.960 -4.082 1.00 71.42 N ATOM 1466 CA ALA A 93 3.178 -5.941 -5.534 1.00 21.21 C ATOM 1467 C ALA A 93 3.385 -4.535 -6.085 1.00 45.50 C ATOM 1468 O ALA A 93 3.740 -4.360 -7.250 1.00 53.21 O ATOM 1469 CB ALA A 93 1.816 -6.477 -5.949 1.00 61.31 C ATOM 0 H ALA A 93 2.484 -6.304 -3.589 1.00 71.42 H new ATOM 0 HA ALA A 93 3.952 -6.585 -5.952 1.00 21.21 H new ATOM 0 HB1 ALA A 93 1.733 -6.457 -7.036 1.00 61.31 H new ATOM 0 HB2 ALA A 93 1.705 -7.502 -5.595 1.00 61.31 H new ATOM 0 HB3 ALA A 93 1.033 -5.856 -5.514 1.00 61.31 H new ATOM 1475 N GLY A 94 3.161 -3.533 -5.239 1.00 65.32 N ATOM 1476 CA GLY A 94 3.328 -2.155 -5.661 1.00 2.33 C ATOM 1477 C GLY A 94 4.708 -1.614 -5.344 1.00 25.42 C ATOM 1478 O GLY A 94 5.522 -1.400 -6.244 1.00 75.51 O ATOM 0 H GLY A 94 2.867 -3.652 -4.270 1.00 65.32 H new ATOM 0 HA2 GLY A 94 3.151 -2.083 -6.734 1.00 2.33 H new ATOM 0 HA3 GLY A 94 2.577 -1.535 -5.172 1.00 2.33 H new ATOM 1482 N LEU A 95 4.975 -1.391 -4.062 1.00 35.24 N ATOM 1483 CA LEU A 95 6.266 -0.870 -3.628 1.00 23.34 C ATOM 1484 C LEU A 95 7.398 -1.805 -4.044 1.00 12.32 C ATOM 1485 O LEU A 95 8.392 -1.372 -4.629 1.00 13.45 O ATOM 1486 CB LEU A 95 6.278 -0.681 -2.110 1.00 21.13 C ATOM 1487 CG LEU A 95 5.051 0.007 -1.510 1.00 24.35 C ATOM 1488 CD1 LEU A 95 5.193 0.129 0.000 1.00 42.43 C ATOM 1489 CD2 LEU A 95 4.845 1.376 -2.141 1.00 23.12 C ATOM 0 H LEU A 95 4.314 -1.563 -3.304 1.00 35.24 H new ATOM 0 HA LEU A 95 6.421 0.096 -4.109 1.00 23.34 H new ATOM 0 HB2 LEU A 95 6.386 -1.660 -1.643 1.00 21.13 H new ATOM 0 HB3 LEU A 95 7.162 -0.101 -1.843 1.00 21.13 H new ATOM 0 HG LEU A 95 4.174 -0.604 -1.724 1.00 24.35 H new ATOM 0 HD11 LEU A 95 4.311 0.621 0.410 1.00 42.43 H new ATOM 0 HD12 LEU A 95 5.291 -0.864 0.438 1.00 42.43 H new ATOM 0 HD13 LEU A 95 6.079 0.718 0.236 1.00 42.43 H new ATOM 0 HD21 LEU A 95 3.968 1.851 -1.702 1.00 23.12 H new ATOM 0 HD22 LEU A 95 5.723 1.996 -1.959 1.00 23.12 H new ATOM 0 HD23 LEU A 95 4.697 1.263 -3.215 1.00 23.12 H new ATOM 1501 N LEU A 96 7.240 -3.088 -3.741 1.00 34.41 N ATOM 1502 CA LEU A 96 8.247 -4.086 -4.086 1.00 0.45 C ATOM 1503 C LEU A 96 8.091 -4.539 -5.534 1.00 5.23 C ATOM 1504 O LEU A 96 8.844 -5.385 -6.013 1.00 60.55 O ATOM 1505 CB LEU A 96 8.142 -5.290 -3.148 1.00 45.02 C ATOM 1506 CG LEU A 96 9.320 -5.504 -2.196 1.00 53.40 C ATOM 1507 CD1 LEU A 96 8.853 -6.173 -0.913 1.00 25.33 C ATOM 1508 CD2 LEU A 96 10.406 -6.331 -2.868 1.00 35.52 C ATOM 0 H LEU A 96 6.424 -3.463 -3.257 1.00 34.41 H new ATOM 0 HA LEU A 96 9.230 -3.629 -3.972 1.00 0.45 H new ATOM 0 HB2 LEU A 96 7.235 -5.184 -2.553 1.00 45.02 H new ATOM 0 HB3 LEU A 96 8.023 -6.188 -3.754 1.00 45.02 H new ATOM 0 HG LEU A 96 9.739 -4.531 -1.942 1.00 53.40 H new ATOM 0 HD11 LEU A 96 9.704 -6.318 -0.247 1.00 25.33 H new ATOM 0 HD12 LEU A 96 8.112 -5.542 -0.423 1.00 25.33 H new ATOM 0 HD13 LEU A 96 8.408 -7.140 -1.148 1.00 25.33 H new ATOM 0 HD21 LEU A 96 11.236 -6.473 -2.176 1.00 35.52 H new ATOM 0 HD22 LEU A 96 10.000 -7.302 -3.152 1.00 35.52 H new ATOM 0 HD23 LEU A 96 10.761 -5.811 -3.758 1.00 35.52 H new ATOM 1520 N ASN A 97 7.111 -3.967 -6.225 1.00 71.21 N ATOM 1521 CA ASN A 97 6.858 -4.311 -7.620 1.00 34.35 C ATOM 1522 C ASN A 97 6.727 -5.822 -7.792 1.00 42.41 C ATOM 1523 O ASN A 97 7.055 -6.367 -8.846 1.00 11.53 O ATOM 1524 CB ASN A 97 7.983 -3.780 -8.510 1.00 72.20 C ATOM 1525 CG ASN A 97 7.489 -3.375 -9.885 1.00 41.24 C ATOM 1526 OD1 ASN A 97 6.949 -2.283 -10.066 1.00 71.54 O ATOM 1527 ND2 ASN A 97 7.673 -4.255 -10.863 1.00 13.21 N ATOM 0 H ASN A 97 6.479 -3.264 -5.843 1.00 71.21 H new ATOM 0 HA ASN A 97 5.918 -3.846 -7.919 1.00 34.35 H new ATOM 0 HB2 ASN A 97 8.450 -2.922 -8.027 1.00 72.20 H new ATOM 0 HB3 ASN A 97 8.752 -4.545 -8.614 1.00 72.20 H new ATOM 0 HD21 ASN A 97 7.362 -4.038 -11.810 1.00 13.21 H new ATOM 0 HD22 ASN A 97 8.125 -5.148 -10.667 1.00 13.21 H new ATOM 1534 N MET A 98 6.246 -6.491 -6.750 1.00 30.30 N ATOM 1535 CA MET A 98 6.070 -7.939 -6.787 1.00 44.41 C ATOM 1536 C MET A 98 4.925 -8.324 -7.718 1.00 43.44 C ATOM 1537 O MET A 98 4.126 -7.477 -8.121 1.00 5.04 O ATOM 1538 CB MET A 98 5.803 -8.478 -5.381 1.00 14.54 C ATOM 1539 CG MET A 98 6.986 -9.216 -4.777 1.00 44.11 C ATOM 1540 SD MET A 98 6.699 -10.990 -4.636 1.00 25.42 S ATOM 1541 CE MET A 98 8.378 -11.612 -4.710 1.00 12.42 C ATOM 0 H MET A 98 5.971 -6.055 -5.870 1.00 30.30 H new ATOM 0 HA MET A 98 6.990 -8.382 -7.169 1.00 44.41 H new ATOM 0 HB2 MET A 98 5.532 -7.648 -4.728 1.00 14.54 H new ATOM 0 HB3 MET A 98 4.945 -9.150 -5.415 1.00 14.54 H new ATOM 0 HG2 MET A 98 7.870 -9.043 -5.391 1.00 44.11 H new ATOM 0 HG3 MET A 98 7.199 -8.807 -3.789 1.00 44.11 H new ATOM 0 HE1 MET A 98 8.367 -12.699 -4.635 1.00 12.42 H new ATOM 0 HE2 MET A 98 8.834 -11.318 -5.656 1.00 12.42 H new ATOM 0 HE3 MET A 98 8.956 -11.197 -3.884 1.00 12.42 H new ATOM 1551 N THR A 99 4.851 -9.607 -8.059 1.00 12.34 N ATOM 1552 CA THR A 99 3.805 -10.103 -8.943 1.00 74.25 C ATOM 1553 C THR A 99 2.913 -11.112 -8.229 1.00 12.13 C ATOM 1554 O THR A 99 2.638 -12.193 -8.751 1.00 4.44 O ATOM 1555 CB THR A 99 4.400 -10.762 -10.202 1.00 75.41 C ATOM 1556 OG1 THR A 99 5.517 -10.001 -10.672 1.00 42.33 O ATOM 1557 CG2 THR A 99 3.354 -10.870 -11.302 1.00 22.30 C ATOM 0 H THR A 99 5.504 -10.321 -7.736 1.00 12.34 H new ATOM 0 HA THR A 99 3.208 -9.241 -9.240 1.00 74.25 H new ATOM 0 HB THR A 99 4.731 -11.766 -9.937 1.00 75.41 H new ATOM 0 HG1 THR A 99 5.890 -10.428 -11.471 1.00 42.33 H new ATOM 0 HG21 THR A 99 3.797 -11.338 -12.181 1.00 22.30 H new ATOM 0 HG22 THR A 99 2.518 -11.475 -10.951 1.00 22.30 H new ATOM 0 HG23 THR A 99 2.996 -9.874 -11.563 1.00 22.30 H new ATOM 1565 N VAL A 100 2.462 -10.752 -7.031 1.00 52.12 N ATOM 1566 CA VAL A 100 1.599 -11.625 -6.245 1.00 74.41 C ATOM 1567 C VAL A 100 0.142 -11.491 -6.675 1.00 43.33 C ATOM 1568 O VAL A 100 -0.424 -10.398 -6.651 1.00 34.30 O ATOM 1569 CB VAL A 100 1.709 -11.317 -4.740 1.00 54.51 C ATOM 1570 CG1 VAL A 100 3.086 -11.694 -4.217 1.00 0.23 C ATOM 1571 CG2 VAL A 100 1.412 -9.848 -4.475 1.00 62.20 C ATOM 0 H VAL A 100 2.680 -9.862 -6.584 1.00 52.12 H new ATOM 0 HA VAL A 100 1.935 -12.646 -6.425 1.00 74.41 H new ATOM 0 HB VAL A 100 0.969 -11.916 -4.209 1.00 54.51 H new ATOM 0 HG11 VAL A 100 3.145 -11.469 -3.152 1.00 0.23 H new ATOM 0 HG12 VAL A 100 3.255 -12.759 -4.373 1.00 0.23 H new ATOM 0 HG13 VAL A 100 3.847 -11.124 -4.751 1.00 0.23 H new ATOM 0 HG21 VAL A 100 1.494 -9.647 -3.407 1.00 62.20 H new ATOM 0 HG22 VAL A 100 2.127 -9.229 -5.017 1.00 62.20 H new ATOM 0 HG23 VAL A 100 0.402 -9.615 -4.812 1.00 62.20 H new ATOM 1581 N SER A 101 -0.459 -12.609 -7.069 1.00 23.23 N ATOM 1582 CA SER A 101 -1.849 -12.616 -7.508 1.00 31.01 C ATOM 1583 C SER A 101 -2.750 -13.243 -6.449 1.00 33.15 C ATOM 1584 O SER A 101 -3.891 -13.614 -6.727 1.00 32.33 O ATOM 1585 CB SER A 101 -1.986 -13.379 -8.827 1.00 22.33 C ATOM 1586 OG SER A 101 -1.623 -12.564 -9.928 1.00 34.03 O ATOM 0 H SER A 101 -0.005 -13.522 -7.093 1.00 23.23 H new ATOM 0 HA SER A 101 -2.161 -11.583 -7.660 1.00 31.01 H new ATOM 0 HB2 SER A 101 -1.354 -14.267 -8.804 1.00 22.33 H new ATOM 0 HB3 SER A 101 -3.014 -13.722 -8.947 1.00 22.33 H new ATOM 0 HG SER A 101 -2.195 -11.768 -9.949 1.00 34.03 H new ATOM 1592 N THR A 102 -2.230 -13.359 -5.231 1.00 3.33 N ATOM 1593 CA THR A 102 -2.985 -13.941 -4.129 1.00 21.52 C ATOM 1594 C THR A 102 -2.636 -13.269 -2.806 1.00 44.43 C ATOM 1595 O THR A 102 -1.463 -13.131 -2.460 1.00 42.30 O ATOM 1596 CB THR A 102 -2.723 -15.455 -4.007 1.00 13.52 C ATOM 1597 OG1 THR A 102 -1.418 -15.684 -3.466 1.00 4.14 O ATOM 1598 CG2 THR A 102 -2.843 -16.135 -5.362 1.00 21.41 C ATOM 0 H THR A 102 -1.288 -13.057 -4.983 1.00 3.33 H new ATOM 0 HA THR A 102 -4.040 -13.778 -4.348 1.00 21.52 H new ATOM 0 HB THR A 102 -3.472 -15.879 -3.338 1.00 13.52 H new ATOM 0 HG1 THR A 102 -1.260 -16.648 -3.390 1.00 4.14 H new ATOM 0 HG21 THR A 102 -2.654 -17.203 -5.251 1.00 21.41 H new ATOM 0 HG22 THR A 102 -3.847 -15.983 -5.758 1.00 21.41 H new ATOM 0 HG23 THR A 102 -2.114 -15.707 -6.050 1.00 21.41 H new ATOM 1606 N ALA A 103 -3.661 -12.852 -2.071 1.00 0.03 N ATOM 1607 CA ALA A 103 -3.462 -12.196 -0.784 1.00 43.14 C ATOM 1608 C ALA A 103 -2.556 -13.025 0.120 1.00 1.40 C ATOM 1609 O ALA A 103 -1.839 -12.483 0.961 1.00 41.33 O ATOM 1610 CB ALA A 103 -4.801 -11.945 -0.107 1.00 22.22 C ATOM 0 H ALA A 103 -4.638 -12.957 -2.344 1.00 0.03 H new ATOM 0 HA ALA A 103 -2.974 -11.238 -0.963 1.00 43.14 H new ATOM 0 HB1 ALA A 103 -4.637 -11.455 0.853 1.00 22.22 H new ATOM 0 HB2 ALA A 103 -5.415 -11.305 -0.741 1.00 22.22 H new ATOM 0 HB3 ALA A 103 -5.311 -12.895 0.053 1.00 22.22 H new ATOM 1616 N ALA A 104 -2.594 -14.341 -0.058 1.00 32.11 N ATOM 1617 CA ALA A 104 -1.776 -15.244 0.742 1.00 64.15 C ATOM 1618 C ALA A 104 -0.294 -15.067 0.425 1.00 34.44 C ATOM 1619 O ALA A 104 0.542 -15.026 1.327 1.00 12.43 O ATOM 1620 CB ALA A 104 -2.199 -16.687 0.507 1.00 2.35 C ATOM 0 H ALA A 104 -3.183 -14.806 -0.749 1.00 32.11 H new ATOM 0 HA ALA A 104 -1.928 -14.999 1.793 1.00 64.15 H new ATOM 0 HB1 ALA A 104 -1.580 -17.351 1.111 1.00 2.35 H new ATOM 0 HB2 ALA A 104 -3.245 -16.810 0.789 1.00 2.35 H new ATOM 0 HB3 ALA A 104 -2.076 -16.935 -0.547 1.00 2.35 H new ATOM 1626 N ALA A 105 0.023 -14.965 -0.861 1.00 42.20 N ATOM 1627 CA ALA A 105 1.404 -14.791 -1.296 1.00 33.44 C ATOM 1628 C ALA A 105 1.966 -13.457 -0.819 1.00 12.55 C ATOM 1629 O ALA A 105 3.135 -13.362 -0.447 1.00 1.10 O ATOM 1630 CB ALA A 105 1.497 -14.894 -2.811 1.00 30.33 C ATOM 0 H ALA A 105 -0.657 -15.000 -1.620 1.00 42.20 H new ATOM 0 HA ALA A 105 2.002 -15.587 -0.851 1.00 33.44 H new ATOM 0 HB1 ALA A 105 2.533 -14.762 -3.122 1.00 30.33 H new ATOM 0 HB2 ALA A 105 1.144 -15.874 -3.131 1.00 30.33 H new ATOM 0 HB3 ALA A 105 0.880 -14.119 -3.267 1.00 30.33 H new ATOM 1636 N ALA A 106 1.125 -12.427 -0.832 1.00 64.04 N ATOM 1637 CA ALA A 106 1.539 -11.098 -0.400 1.00 14.21 C ATOM 1638 C ALA A 106 1.945 -11.100 1.070 1.00 60.41 C ATOM 1639 O ALA A 106 3.043 -10.668 1.420 1.00 74.21 O ATOM 1640 CB ALA A 106 0.421 -10.094 -0.639 1.00 15.25 C ATOM 0 H ALA A 106 0.154 -12.488 -1.137 1.00 64.04 H new ATOM 0 HA ALA A 106 2.408 -10.806 -0.989 1.00 14.21 H new ATOM 0 HB1 ALA A 106 0.744 -9.106 -0.312 1.00 15.25 H new ATOM 0 HB2 ALA A 106 0.180 -10.064 -1.702 1.00 15.25 H new ATOM 0 HB3 ALA A 106 -0.463 -10.392 -0.075 1.00 15.25 H new ATOM 1646 N GLU A 107 1.052 -11.589 1.925 1.00 24.32 N ATOM 1647 CA GLU A 107 1.319 -11.646 3.358 1.00 43.14 C ATOM 1648 C GLU A 107 2.500 -12.565 3.655 1.00 25.11 C ATOM 1649 O GLU A 107 3.356 -12.247 4.480 1.00 14.23 O ATOM 1650 CB GLU A 107 0.079 -12.131 4.111 1.00 0.12 C ATOM 1651 CG GLU A 107 0.329 -12.399 5.586 1.00 70.23 C ATOM 1652 CD GLU A 107 -0.773 -11.853 6.473 1.00 23.00 C ATOM 1653 OE1 GLU A 107 -1.955 -11.965 6.086 1.00 11.44 O ATOM 1654 OE2 GLU A 107 -0.453 -11.314 7.553 1.00 32.11 O ATOM 0 H GLU A 107 0.139 -11.951 1.651 1.00 24.32 H new ATOM 0 HA GLU A 107 1.570 -10.640 3.695 1.00 43.14 H new ATOM 0 HB2 GLU A 107 -0.709 -11.385 4.014 1.00 0.12 H new ATOM 0 HB3 GLU A 107 -0.287 -13.044 3.641 1.00 0.12 H new ATOM 0 HG2 GLU A 107 0.420 -13.473 5.746 1.00 70.23 H new ATOM 0 HG3 GLU A 107 1.280 -11.952 5.877 1.00 70.23 H new ATOM 1661 N ASN A 108 2.539 -13.707 2.977 1.00 64.34 N ATOM 1662 CA ASN A 108 3.614 -14.674 3.168 1.00 4.05 C ATOM 1663 C ASN A 108 4.977 -14.022 2.953 1.00 71.30 C ATOM 1664 O ASN A 108 5.920 -14.270 3.703 1.00 23.32 O ATOM 1665 CB ASN A 108 3.444 -15.854 2.210 1.00 31.51 C ATOM 1666 CG ASN A 108 4.598 -16.835 2.289 1.00 3.31 C ATOM 1667 OD1 ASN A 108 5.247 -16.964 3.327 1.00 22.33 O ATOM 1668 ND2 ASN A 108 4.860 -17.530 1.189 1.00 72.53 N ATOM 0 H ASN A 108 1.838 -13.986 2.290 1.00 64.34 H new ATOM 0 HA ASN A 108 3.563 -15.038 4.194 1.00 4.05 H new ATOM 0 HB2 ASN A 108 2.513 -16.373 2.439 1.00 31.51 H new ATOM 0 HB3 ASN A 108 3.358 -15.480 1.190 1.00 31.51 H new ATOM 0 HD21 ASN A 108 5.626 -18.204 1.182 1.00 72.53 H new ATOM 0 HD22 ASN A 108 4.296 -17.390 0.351 1.00 72.53 H new ATOM 1675 N MET A 109 5.071 -13.187 1.923 1.00 22.42 N ATOM 1676 CA MET A 109 6.318 -12.498 1.610 1.00 32.42 C ATOM 1677 C MET A 109 6.522 -11.299 2.530 1.00 54.32 C ATOM 1678 O MET A 109 7.640 -11.019 2.962 1.00 10.22 O ATOM 1679 CB MET A 109 6.321 -12.043 0.150 1.00 54.32 C ATOM 1680 CG MET A 109 7.626 -12.330 -0.574 1.00 3.42 C ATOM 1681 SD MET A 109 8.991 -11.316 0.027 1.00 12.40 S ATOM 1682 CE MET A 109 8.363 -9.671 -0.305 1.00 35.41 C ATOM 0 H MET A 109 4.300 -12.971 1.292 1.00 22.42 H new ATOM 0 HA MET A 109 7.140 -13.197 1.766 1.00 32.42 H new ATOM 0 HB2 MET A 109 5.506 -12.538 -0.378 1.00 54.32 H new ATOM 0 HB3 MET A 109 6.122 -10.972 0.111 1.00 54.32 H new ATOM 0 HG2 MET A 109 7.880 -13.383 -0.453 1.00 3.42 H new ATOM 0 HG3 MET A 109 7.491 -12.155 -1.641 1.00 3.42 H new ATOM 0 HE1 MET A 109 9.195 -8.969 -0.365 1.00 35.41 H new ATOM 0 HE2 MET A 109 7.821 -9.673 -1.251 1.00 35.41 H new ATOM 0 HE3 MET A 109 7.691 -9.369 0.498 1.00 35.41 H new ATOM 1692 N TYR A 110 5.435 -10.594 2.825 1.00 41.45 N ATOM 1693 CA TYR A 110 5.496 -9.422 3.691 1.00 73.33 C ATOM 1694 C TYR A 110 6.087 -9.781 5.051 1.00 54.51 C ATOM 1695 O TYR A 110 6.825 -8.996 5.646 1.00 52.52 O ATOM 1696 CB TYR A 110 4.100 -8.822 3.870 1.00 23.14 C ATOM 1697 CG TYR A 110 4.114 -7.349 4.211 1.00 20.13 C ATOM 1698 CD1 TYR A 110 4.750 -6.431 3.386 1.00 43.53 C ATOM 1699 CD2 TYR A 110 3.490 -6.876 5.359 1.00 55.12 C ATOM 1700 CE1 TYR A 110 4.766 -5.084 3.694 1.00 71.02 C ATOM 1701 CE2 TYR A 110 3.499 -5.531 5.674 1.00 12.21 C ATOM 1702 CZ TYR A 110 4.139 -4.639 4.839 1.00 74.02 C ATOM 1703 OH TYR A 110 4.151 -3.298 5.148 1.00 33.34 O ATOM 0 H TYR A 110 4.502 -10.814 2.477 1.00 41.45 H new ATOM 0 HA TYR A 110 6.143 -8.684 3.218 1.00 73.33 H new ATOM 0 HB2 TYR A 110 3.530 -8.969 2.952 1.00 23.14 H new ATOM 0 HB3 TYR A 110 3.579 -9.364 4.659 1.00 23.14 H new ATOM 0 HD1 TYR A 110 5.241 -6.776 2.488 1.00 43.53 H new ATOM 0 HD2 TYR A 110 2.989 -7.572 6.016 1.00 55.12 H new ATOM 0 HE1 TYR A 110 5.267 -4.384 3.042 1.00 71.02 H new ATOM 0 HE2 TYR A 110 3.008 -5.180 6.569 1.00 12.21 H new ATOM 0 HH TYR A 110 3.338 -3.070 5.646 1.00 33.34 H new ATOM 1713 N SER A 111 5.756 -10.973 5.537 1.00 41.22 N ATOM 1714 CA SER A 111 6.251 -11.436 6.828 1.00 14.21 C ATOM 1715 C SER A 111 7.610 -12.112 6.679 1.00 41.33 C ATOM 1716 O SER A 111 8.503 -11.922 7.504 1.00 11.12 O ATOM 1717 CB SER A 111 5.252 -12.407 7.462 1.00 45.31 C ATOM 1718 OG SER A 111 5.559 -12.635 8.826 1.00 23.14 O ATOM 0 H SER A 111 5.147 -11.635 5.056 1.00 41.22 H new ATOM 0 HA SER A 111 6.366 -10.568 7.477 1.00 14.21 H new ATOM 0 HB2 SER A 111 4.243 -12.004 7.375 1.00 45.31 H new ATOM 0 HB3 SER A 111 5.265 -13.353 6.920 1.00 45.31 H new ATOM 0 HG SER A 111 4.906 -13.257 9.209 1.00 23.14 H new ATOM 1724 N GLN A 112 7.758 -12.901 5.620 1.00 43.14 N ATOM 1725 CA GLN A 112 9.008 -13.606 5.362 1.00 43.02 C ATOM 1726 C GLN A 112 10.177 -12.630 5.282 1.00 5.12 C ATOM 1727 O GLN A 112 11.312 -12.978 5.607 1.00 63.23 O ATOM 1728 CB GLN A 112 8.908 -14.407 4.063 1.00 70.15 C ATOM 1729 CG GLN A 112 10.153 -15.223 3.753 1.00 34.34 C ATOM 1730 CD GLN A 112 10.195 -15.700 2.315 1.00 23.31 C ATOM 1731 OE1 GLN A 112 9.323 -16.448 1.871 1.00 43.55 O ATOM 1732 NE2 GLN A 112 11.213 -15.270 1.578 1.00 13.13 N ATOM 0 H GLN A 112 7.028 -13.068 4.927 1.00 43.14 H new ATOM 0 HA GLN A 112 9.186 -14.291 6.190 1.00 43.02 H new ATOM 0 HB2 GLN A 112 8.051 -15.077 4.124 1.00 70.15 H new ATOM 0 HB3 GLN A 112 8.718 -13.722 3.237 1.00 70.15 H new ATOM 0 HG2 GLN A 112 11.038 -14.621 3.958 1.00 34.34 H new ATOM 0 HG3 GLN A 112 10.193 -16.085 4.419 1.00 34.34 H new ATOM 0 HE21 GLN A 112 11.913 -14.651 1.987 1.00 13.13 H new ATOM 0 HE22 GLN A 112 11.295 -15.559 0.603 1.00 13.13 H new ATOM 1741 N MET A 113 9.892 -11.407 4.848 1.00 1.32 N ATOM 1742 CA MET A 113 10.921 -10.380 4.727 1.00 53.11 C ATOM 1743 C MET A 113 11.183 -9.712 6.073 1.00 43.11 C ATOM 1744 O MET A 113 12.276 -9.206 6.323 1.00 44.13 O ATOM 1745 CB MET A 113 10.504 -9.329 3.696 1.00 72.53 C ATOM 1746 CG MET A 113 11.674 -8.729 2.933 1.00 75.22 C ATOM 1747 SD MET A 113 12.042 -7.040 3.443 1.00 11.42 S ATOM 1748 CE MET A 113 13.605 -6.768 2.612 1.00 50.12 C ATOM 0 H MET A 113 8.958 -11.103 4.574 1.00 1.32 H new ATOM 0 HA MET A 113 11.841 -10.860 4.394 1.00 53.11 H new ATOM 0 HB2 MET A 113 9.812 -9.783 2.986 1.00 72.53 H new ATOM 0 HB3 MET A 113 9.963 -8.530 4.202 1.00 72.53 H new ATOM 0 HG2 MET A 113 12.557 -9.350 3.082 1.00 75.22 H new ATOM 0 HG3 MET A 113 11.452 -8.742 1.866 1.00 75.22 H new ATOM 0 HE1 MET A 113 13.963 -5.762 2.831 1.00 50.12 H new ATOM 0 HE2 MET A 113 14.335 -7.498 2.962 1.00 50.12 H new ATOM 0 HE3 MET A 113 13.469 -6.878 1.536 1.00 50.12 H new ATOM 1758 N GLY A 114 10.173 -9.714 6.937 1.00 13.01 N ATOM 1759 CA GLY A 114 10.315 -9.105 8.247 1.00 42.25 C ATOM 1760 C GLY A 114 9.530 -7.814 8.374 1.00 21.42 C ATOM 1761 O GLY A 114 9.822 -6.984 9.235 1.00 4.43 O ATOM 0 H GLY A 114 9.258 -10.127 6.753 1.00 13.01 H new ATOM 0 HA2 GLY A 114 9.979 -9.808 9.009 1.00 42.25 H new ATOM 0 HA3 GLY A 114 11.369 -8.906 8.440 1.00 42.25 H new