USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 26 THR OG1 : rot -176:sc= 1.06 USER MOD Set 1.2: A 28 SER OG : rot -58:sc= 1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0.974 (180deg=0.904) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0.977 (180deg=0.892) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -60:sc= 0.857 USER MOD Single : A 29 SER OG : rot 156:sc= 0.872 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0.854 (180deg=0.775) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.69 (180deg=0.557) USER MOD Single : A 35 HIS : no HE2:sc= 0.718 K(o=0.72,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -158:sc= 0 (180deg=-0.657) USER MOD Single : A 46 GLN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 48 TYR OH : rot -11:sc= 0.408 USER MOD Single : A 49 TYR OH : rot 142:sc= 0.834 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.69) USER MOD Single : A 62 ASN : amide:sc= 1.07 K(o=1.1,f=-5.7!) USER MOD Single : A 64 TYR OH : rot 169:sc= 0.637 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0598 USER MOD Single : A 70 SER OG : rot 77:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -6.517 14.772 9.225 1.00 0.00 N ATOM 38 CA ARG A 4 -6.213 13.379 9.529 1.00 0.00 C ATOM 39 C ARG A 4 -6.148 12.546 8.252 1.00 0.00 C ATOM 40 O ARG A 4 -6.362 11.332 8.278 1.00 0.00 O ATOM 41 CB ARG A 4 -7.185 12.783 10.537 1.00 0.00 C ATOM 42 CG ARG A 4 -7.231 13.496 11.879 1.00 0.00 C ATOM 43 CD ARG A 4 -8.237 12.953 12.827 1.00 0.00 C ATOM 44 NE ARG A 4 -8.395 13.730 14.047 1.00 0.00 N ATOM 45 CZ ARG A 4 -9.268 13.436 15.032 1.00 0.00 C ATOM 46 NH1 ARG A 4 -10.084 12.411 14.930 1.00 0.00 N ATOM 47 NH2 ARG A 4 -9.295 14.222 16.094 1.00 0.00 N ATOM 0 HA ARG A 4 -5.229 13.357 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.185 12.790 10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.918 11.740 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.246 13.439 12.341 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.442 14.552 11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.201 12.894 12.321 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.954 11.935 13.094 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.805 14.554 14.165 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.063 11.824 14.096 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.738 12.203 15.684 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.667 15.024 16.151 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.944 14.027 16.856 1.00 0.00 H new ATOM 61 N LYS A 5 -5.855 13.203 7.136 1.00 0.00 N ATOM 62 CA LYS A 5 -5.655 12.511 5.868 1.00 0.00 C ATOM 63 C LYS A 5 -4.181 12.515 5.474 1.00 0.00 C ATOM 64 O LYS A 5 -3.443 13.444 5.801 1.00 0.00 O ATOM 65 CB LYS A 5 -6.498 13.153 4.767 1.00 0.00 C ATOM 66 CG LYS A 5 -8.002 13.040 4.979 1.00 0.00 C ATOM 67 CD LYS A 5 -8.772 13.689 3.839 1.00 0.00 C ATOM 68 CE LYS A 5 -10.275 13.552 4.036 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.040 14.099 2.882 1.00 0.00 N ATOM 0 H LYS A 5 -5.750 14.216 7.083 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.975 11.477 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.232 14.207 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.242 12.690 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.282 11.990 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.275 13.515 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.507 14.744 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.484 13.228 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.528 12.501 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.570 14.073 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.059 13.986 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.818 15.108 2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.778 13.585 2.017 1.00 0.00 H new ATOM 83 N ILE A 6 -3.760 11.470 4.768 1.00 0.00 N ATOM 84 CA ILE A 6 -2.396 11.389 4.263 1.00 0.00 C ATOM 85 C ILE A 6 -2.372 10.901 2.818 1.00 0.00 C ATOM 86 O ILE A 6 -3.241 10.138 2.395 1.00 0.00 O ATOM 87 CB ILE A 6 -1.528 10.456 5.126 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.132 9.050 5.165 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.383 11.015 6.534 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.261 8.030 5.862 1.00 0.00 C ATOM 0 H ILE A 6 -4.345 10.668 4.533 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.983 12.397 4.309 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.536 10.393 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.098 9.094 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.319 8.717 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.766 10.343 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.911 11.996 6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.368 11.107 6.992 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.756 7.059 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.304 7.956 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.094 8.338 6.894 1.00 0.00 H new ATOM 102 N HIS A 7 -1.371 11.346 2.066 1.00 0.00 N ATOM 103 CA HIS A 7 -1.181 10.884 0.695 1.00 0.00 C ATOM 104 C HIS A 7 -0.116 9.794 0.632 1.00 0.00 C ATOM 105 O HIS A 7 0.884 9.846 1.349 1.00 0.00 O ATOM 106 CB HIS A 7 -0.797 12.048 -0.223 1.00 0.00 C ATOM 107 CG HIS A 7 -1.862 13.093 -0.345 1.00 0.00 C ATOM 108 ND1 HIS A 7 -2.959 12.947 -1.169 1.00 0.00 N ATOM 109 CD2 HIS A 7 -1.998 14.301 0.250 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.723 14.020 -1.073 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.163 14.857 -0.219 1.00 0.00 N ATOM 0 H HIS A 7 -0.679 12.025 2.382 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.127 10.466 0.350 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.114 12.512 0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.568 11.657 -1.214 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.317 14.745 0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.649 14.185 -1.603 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.535 15.768 0.049 1.00 0.00 H new ATOM 118 N VAL A 8 -0.335 8.806 -0.231 1.00 0.00 N ATOM 119 CA VAL A 8 0.606 7.705 -0.389 1.00 0.00 C ATOM 120 C VAL A 8 1.037 7.556 -1.844 1.00 0.00 C ATOM 121 O VAL A 8 0.203 7.490 -2.747 1.00 0.00 O ATOM 122 CB VAL A 8 0.006 6.373 0.098 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.967 5.226 -0.173 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.326 6.449 1.581 1.00 0.00 C ATOM 0 H VAL A 8 -1.157 8.747 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 8 1.476 7.944 0.223 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.916 6.189 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.527 4.292 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.159 5.157 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.905 5.405 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.749 5.499 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.582 6.656 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.049 7.246 1.752 1.00 0.00 H new ATOM 134 N THR A 9 2.347 7.503 -2.065 1.00 0.00 N ATOM 135 CA THR A 9 2.889 7.280 -3.399 1.00 0.00 C ATOM 136 C THR A 9 3.192 5.804 -3.631 1.00 0.00 C ATOM 137 O THR A 9 4.074 5.233 -2.987 1.00 0.00 O ATOM 138 CB THR A 9 4.171 8.102 -3.633 1.00 0.00 C ATOM 139 OG1 THR A 9 3.874 9.498 -3.510 1.00 0.00 O ATOM 140 CG2 THR A 9 4.736 7.827 -5.018 1.00 0.00 C ATOM 0 H THR A 9 3.052 7.612 -1.336 1.00 0.00 H new ATOM 0 HA THR A 9 2.127 7.606 -4.107 1.00 0.00 H new ATOM 0 HB THR A 9 4.911 7.814 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.690 10.020 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.641 8.416 -5.165 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.974 6.767 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.998 8.100 -5.773 1.00 0.00 H new ATOM 148 N VAL A 10 2.457 5.191 -4.552 1.00 0.00 N ATOM 149 CA VAL A 10 2.563 3.755 -4.782 1.00 0.00 C ATOM 150 C VAL A 10 3.433 3.454 -5.998 1.00 0.00 C ATOM 151 O VAL A 10 3.095 3.823 -7.123 1.00 0.00 O ATOM 152 CB VAL A 10 1.178 3.112 -4.981 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.314 1.614 -5.207 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.284 3.388 -3.783 1.00 0.00 C ATOM 0 H VAL A 10 1.782 5.666 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 10 3.027 3.327 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 10 0.718 3.555 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.326 1.176 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.919 1.434 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.795 1.158 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.690 2.926 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.741 2.972 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.160 4.464 -3.662 1.00 0.00 H new ATOM 164 N LYS A 11 4.555 2.781 -5.765 1.00 0.00 N ATOM 165 CA LYS A 11 5.518 2.509 -6.824 1.00 0.00 C ATOM 166 C LYS A 11 5.363 1.087 -7.349 1.00 0.00 C ATOM 167 O LYS A 11 5.423 0.122 -6.586 1.00 0.00 O ATOM 168 CB LYS A 11 6.946 2.735 -6.324 1.00 0.00 C ATOM 169 CG LYS A 11 8.020 2.570 -7.390 1.00 0.00 C ATOM 170 CD LYS A 11 9.369 3.076 -6.899 1.00 0.00 C ATOM 171 CE LYS A 11 10.109 2.005 -6.110 1.00 0.00 C ATOM 172 NZ LYS A 11 11.316 2.550 -5.431 1.00 0.00 N ATOM 0 H LYS A 11 4.819 2.414 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 11 5.321 3.201 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.017 3.739 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.148 2.037 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.102 1.519 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.730 3.114 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.975 3.387 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.223 3.956 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.438 1.573 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.403 1.198 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.874 1.767 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.895 3.073 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.024 3.191 -4.666 1.00 0.00 H new ATOM 186 N PHE A 12 5.166 0.961 -8.658 1.00 0.00 N ATOM 187 CA PHE A 12 5.163 -0.343 -9.309 1.00 0.00 C ATOM 188 C PHE A 12 6.435 -0.546 -10.128 1.00 0.00 C ATOM 189 O PHE A 12 7.170 0.397 -10.422 1.00 0.00 O ATOM 190 CB PHE A 12 3.929 -0.495 -10.201 1.00 0.00 C ATOM 191 CG PHE A 12 2.629 -0.316 -9.471 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.045 0.938 -9.364 1.00 0.00 C ATOM 193 CD2 PHE A 12 1.986 -1.398 -8.891 1.00 0.00 C ATOM 194 CE1 PHE A 12 0.847 1.104 -8.693 1.00 0.00 C ATOM 195 CE2 PHE A 12 0.790 -1.236 -8.221 1.00 0.00 C ATOM 196 CZ PHE A 12 0.220 0.018 -8.122 1.00 0.00 C ATOM 0 H PHE A 12 5.006 1.747 -9.288 1.00 0.00 H new ATOM 0 HA PHE A 12 5.130 -1.107 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.984 0.234 -11.010 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.944 -1.483 -10.661 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.531 1.794 -9.809 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.427 -2.381 -8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.403 2.085 -8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.301 -2.089 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.715 0.147 -7.598 1.00 0.00 H new ATOM 206 N PRO A 13 6.701 -1.805 -10.505 1.00 0.00 N ATOM 207 CA PRO A 13 7.930 -2.176 -11.214 1.00 0.00 C ATOM 208 C PRO A 13 8.158 -1.328 -12.460 1.00 0.00 C ATOM 209 O PRO A 13 9.289 -0.953 -12.769 1.00 0.00 O ATOM 210 CB PRO A 13 7.724 -3.653 -11.562 1.00 0.00 C ATOM 211 CG PRO A 13 6.855 -4.175 -10.469 1.00 0.00 C ATOM 212 CD PRO A 13 5.910 -3.050 -10.140 1.00 0.00 C ATOM 0 HA PRO A 13 8.820 -2.008 -10.607 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.249 -3.769 -12.536 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.673 -4.187 -11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.312 -5.064 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.446 -4.459 -9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.986 -3.121 -10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.632 -3.054 -9.086 1.00 0.00 H new ATOM 220 N SER A 14 7.076 -1.029 -13.173 1.00 0.00 N ATOM 221 CA SER A 14 7.176 -0.402 -14.485 1.00 0.00 C ATOM 222 C SER A 14 6.458 0.944 -14.500 1.00 0.00 C ATOM 223 O SER A 14 6.565 1.709 -15.459 1.00 0.00 O ATOM 224 CB SER A 14 6.606 -1.319 -15.549 1.00 0.00 C ATOM 225 OG SER A 14 5.243 -1.575 -15.349 1.00 0.00 O ATOM 0 H SER A 14 6.121 -1.211 -12.864 1.00 0.00 H new ATOM 0 HA SER A 14 8.230 -0.226 -14.702 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.749 -0.868 -16.531 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.155 -2.260 -15.548 1.00 0.00 H new ATOM 0 HG SER A 14 4.914 -2.168 -16.057 1.00 0.00 H new ATOM 231 N LYS A 15 5.726 1.230 -13.427 1.00 0.00 N ATOM 232 CA LYS A 15 4.845 2.391 -13.388 1.00 0.00 C ATOM 233 C LYS A 15 4.685 2.903 -11.960 1.00 0.00 C ATOM 234 O LYS A 15 5.023 2.209 -11.000 1.00 0.00 O ATOM 235 CB LYS A 15 3.478 2.050 -13.983 1.00 0.00 C ATOM 236 CG LYS A 15 2.685 1.022 -13.187 1.00 0.00 C ATOM 237 CD LYS A 15 1.358 0.705 -13.861 1.00 0.00 C ATOM 238 CE LYS A 15 0.562 -0.319 -13.064 1.00 0.00 C ATOM 239 NZ LYS A 15 -0.764 -0.594 -13.679 1.00 0.00 N ATOM 0 H LYS A 15 5.726 0.673 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 15 5.300 3.179 -13.988 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.890 2.965 -14.060 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.620 1.676 -14.997 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.270 0.108 -13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.503 1.399 -12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.774 1.619 -13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.540 0.325 -14.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.130 -1.247 -12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.421 0.044 -12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.340 -1.161 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.248 0.305 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.633 -1.119 -14.567 1.00 0.00 H new ATOM 253 N GLN A 16 4.167 4.120 -11.827 1.00 0.00 N ATOM 254 CA GLN A 16 3.886 4.690 -10.514 1.00 0.00 C ATOM 255 C GLN A 16 2.476 5.274 -10.466 1.00 0.00 C ATOM 256 O GLN A 16 1.913 5.647 -11.496 1.00 0.00 O ATOM 257 CB GLN A 16 4.908 5.775 -10.168 1.00 0.00 C ATOM 258 CG GLN A 16 6.338 5.271 -10.061 1.00 0.00 C ATOM 259 CD GLN A 16 7.312 6.370 -9.679 1.00 0.00 C ATOM 260 OE1 GLN A 16 6.944 7.546 -9.604 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.563 5.993 -9.441 1.00 0.00 N ATOM 0 H GLN A 16 3.934 4.730 -12.611 1.00 0.00 H new ATOM 0 HA GLN A 16 3.958 3.888 -9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.865 6.555 -10.928 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.625 6.237 -9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.385 4.474 -9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.640 4.837 -11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.822 5.009 -9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.265 6.687 -9.184 1.00 0.00 H new ATOM 270 N PHE A 17 1.914 5.351 -9.265 1.00 0.00 N ATOM 271 CA PHE A 17 0.590 5.934 -9.077 1.00 0.00 C ATOM 272 C PHE A 17 0.392 6.373 -7.628 1.00 0.00 C ATOM 273 O PHE A 17 0.852 5.712 -6.698 1.00 0.00 O ATOM 274 CB PHE A 17 -0.497 4.938 -9.481 1.00 0.00 C ATOM 275 CG PHE A 17 -1.886 5.510 -9.449 1.00 0.00 C ATOM 276 CD1 PHE A 17 -2.342 6.319 -10.480 1.00 0.00 C ATOM 277 CD2 PHE A 17 -2.738 5.243 -8.389 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.619 6.846 -10.453 1.00 0.00 C ATOM 279 CE2 PHE A 17 -4.015 5.768 -8.359 1.00 0.00 C ATOM 280 CZ PHE A 17 -4.455 6.571 -9.392 1.00 0.00 C ATOM 0 H PHE A 17 2.354 5.017 -8.407 1.00 0.00 H new ATOM 0 HA PHE A 17 0.513 6.813 -9.717 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.287 4.574 -10.487 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.453 4.077 -8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.691 6.539 -11.313 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.399 4.617 -7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.962 7.473 -11.263 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.669 5.550 -7.528 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.453 6.983 -9.369 1.00 0.00 H new ATOM 290 N THR A 18 -0.297 7.496 -7.447 1.00 0.00 N ATOM 291 CA THR A 18 -0.500 8.062 -6.119 1.00 0.00 C ATOM 292 C THR A 18 -1.942 7.886 -5.660 1.00 0.00 C ATOM 293 O THR A 18 -2.868 7.895 -6.473 1.00 0.00 O ATOM 294 CB THR A 18 -0.137 9.558 -6.081 1.00 0.00 C ATOM 295 OG1 THR A 18 -0.955 10.274 -7.015 1.00 0.00 O ATOM 296 CG2 THR A 18 1.328 9.761 -6.436 1.00 0.00 C ATOM 0 H THR A 18 -0.724 8.031 -8.203 1.00 0.00 H new ATOM 0 HA THR A 18 0.161 7.521 -5.442 1.00 0.00 H new ATOM 0 HB THR A 18 -0.311 9.933 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.725 11.226 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.566 10.824 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.953 9.227 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.516 9.377 -7.439 1.00 0.00 H new ATOM 304 N VAL A 19 -2.129 7.728 -4.353 1.00 0.00 N ATOM 305 CA VAL A 19 -3.459 7.534 -3.790 1.00 0.00 C ATOM 306 C VAL A 19 -3.665 8.406 -2.556 1.00 0.00 C ATOM 307 O VAL A 19 -2.703 8.895 -1.963 1.00 0.00 O ATOM 308 CB VAL A 19 -3.705 6.061 -3.414 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.627 5.176 -4.649 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.699 5.603 -2.368 1.00 0.00 C ATOM 0 H VAL A 19 -1.376 7.731 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.173 7.825 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.706 5.976 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.803 4.139 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.383 5.489 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.638 5.266 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.888 4.560 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.689 5.703 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.799 6.218 -1.474 1.00 0.00 H new ATOM 320 N GLU A 20 -4.924 8.594 -2.174 1.00 0.00 N ATOM 321 CA GLU A 20 -5.253 9.355 -0.974 1.00 0.00 C ATOM 322 C GLU A 20 -5.960 8.474 0.052 1.00 0.00 C ATOM 323 O GLU A 20 -6.964 7.830 -0.253 1.00 0.00 O ATOM 324 CB GLU A 20 -6.124 10.562 -1.325 1.00 0.00 C ATOM 325 CG GLU A 20 -6.508 11.428 -0.133 1.00 0.00 C ATOM 326 CD GLU A 20 -7.366 12.588 -0.555 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.684 12.676 -1.716 1.00 0.00 O ATOM 328 OE2 GLU A 20 -7.798 13.323 0.301 1.00 0.00 O ATOM 0 H GLU A 20 -5.733 8.230 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.321 9.713 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.594 11.179 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.034 10.209 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.043 10.825 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.607 11.798 0.356 1.00 0.00 H new ATOM 335 N VAL A 21 -5.429 8.450 1.270 1.00 0.00 N ATOM 336 CA VAL A 21 -5.947 7.574 2.314 1.00 0.00 C ATOM 337 C VAL A 21 -6.073 8.314 3.640 1.00 0.00 C ATOM 338 O VAL A 21 -5.566 9.426 3.792 1.00 0.00 O ATOM 339 CB VAL A 21 -5.052 6.336 2.510 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.002 5.507 1.235 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.650 6.753 2.927 1.00 0.00 C ATOM 0 H VAL A 21 -4.639 9.028 1.558 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.935 7.247 1.988 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.481 5.724 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.365 4.636 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.008 5.178 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.597 6.112 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.031 5.866 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.214 7.386 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.699 7.306 3.865 1.00 0.00 H new ATOM 351 N ASP A 22 -6.751 7.691 4.596 1.00 0.00 N ATOM 352 CA ASP A 22 -6.921 8.277 5.921 1.00 0.00 C ATOM 353 C ASP A 22 -5.809 7.824 6.862 1.00 0.00 C ATOM 354 O ASP A 22 -5.347 6.685 6.790 1.00 0.00 O ATOM 355 CB ASP A 22 -8.288 7.909 6.503 1.00 0.00 C ATOM 356 CG ASP A 22 -8.712 8.754 7.697 1.00 0.00 C ATOM 357 OD1 ASP A 22 -8.047 8.699 8.705 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.597 9.561 7.543 1.00 0.00 O ATOM 0 H ASP A 22 -7.193 6.779 4.479 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.866 9.361 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.040 8.005 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.272 6.861 6.803 1.00 0.00 H new ATOM 363 N ARG A 23 -5.384 8.723 7.743 1.00 0.00 N ATOM 364 CA ARG A 23 -4.274 8.443 8.646 1.00 0.00 C ATOM 365 C ARG A 23 -4.638 7.328 9.624 1.00 0.00 C ATOM 366 O ARG A 23 -3.783 6.541 10.030 1.00 0.00 O ATOM 367 CB ARG A 23 -3.793 9.690 9.373 1.00 0.00 C ATOM 368 CG ARG A 23 -2.593 9.479 10.283 1.00 0.00 C ATOM 369 CD ARG A 23 -2.053 10.724 10.885 1.00 0.00 C ATOM 370 NE ARG A 23 -0.984 10.515 11.848 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.423 11.487 12.593 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.798 12.740 12.464 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.532 11.151 13.441 1.00 0.00 N ATOM 0 H ARG A 23 -5.791 9.652 7.851 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.439 8.099 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.540 10.449 8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.616 10.086 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.875 8.796 11.084 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.801 8.992 9.713 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.685 11.368 10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.867 11.258 11.375 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.634 9.565 11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.524 12.988 11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.363 13.464 13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.826 10.177 13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.976 11.865 14.019 1.00 0.00 H new ATOM 387 N THR A 24 -5.911 7.269 9.998 1.00 0.00 N ATOM 388 CA THR A 24 -6.359 6.356 11.043 1.00 0.00 C ATOM 389 C THR A 24 -6.765 5.009 10.459 1.00 0.00 C ATOM 390 O THR A 24 -7.053 4.065 11.195 1.00 0.00 O ATOM 391 CB THR A 24 -7.544 6.940 11.835 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.675 7.089 10.967 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.178 8.294 12.422 1.00 0.00 C ATOM 0 H THR A 24 -6.651 7.842 9.593 1.00 0.00 H new ATOM 0 HA THR A 24 -5.517 6.216 11.720 1.00 0.00 H new ATOM 0 HB THR A 24 -7.789 6.258 12.649 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.447 7.699 10.235 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.027 8.691 12.978 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.326 8.182 13.092 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.918 8.981 11.617 1.00 0.00 H new ATOM 401 N GLU A 25 -6.785 4.925 9.133 1.00 0.00 N ATOM 402 CA GLU A 25 -7.148 3.688 8.451 1.00 0.00 C ATOM 403 C GLU A 25 -5.972 2.717 8.421 1.00 0.00 C ATOM 404 O GLU A 25 -4.815 3.120 8.550 1.00 0.00 O ATOM 405 CB GLU A 25 -7.630 3.981 7.029 1.00 0.00 C ATOM 406 CG GLU A 25 -9.062 4.491 6.941 1.00 0.00 C ATOM 407 CD GLU A 25 -10.050 3.397 7.239 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.655 2.256 7.263 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.174 3.709 7.554 1.00 0.00 O ATOM 0 H GLU A 25 -6.554 5.698 8.509 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.962 3.223 9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.966 4.719 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.544 3.071 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.202 5.312 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.248 4.890 5.944 1.00 0.00 H new ATOM 416 N THR A 26 -6.274 1.434 8.250 1.00 0.00 N ATOM 417 CA THR A 26 -5.243 0.407 8.183 1.00 0.00 C ATOM 418 C THR A 26 -4.779 0.188 6.748 1.00 0.00 C ATOM 419 O THR A 26 -5.383 0.695 5.804 1.00 0.00 O ATOM 420 CB THR A 26 -5.739 -0.931 8.762 1.00 0.00 C ATOM 421 OG1 THR A 26 -6.883 -1.380 8.025 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.114 -0.771 10.227 1.00 0.00 C ATOM 0 H THR A 26 -7.226 1.081 8.155 1.00 0.00 H new ATOM 0 HA THR A 26 -4.405 0.762 8.783 1.00 0.00 H new ATOM 0 HB THR A 26 -4.937 -1.664 8.681 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.234 -2.199 8.433 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.462 -1.726 10.620 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.242 -0.443 10.792 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.907 -0.029 10.321 1.00 0.00 H new ATOM 430 N VAL A 27 -3.700 -0.574 6.590 1.00 0.00 N ATOM 431 CA VAL A 27 -3.129 -0.827 5.272 1.00 0.00 C ATOM 432 C VAL A 27 -4.087 -1.639 4.406 1.00 0.00 C ATOM 433 O VAL A 27 -3.975 -1.646 3.180 1.00 0.00 O ATOM 434 CB VAL A 27 -1.785 -1.572 5.373 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.729 -0.681 6.011 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.946 -2.858 6.170 1.00 0.00 C ATOM 0 H VAL A 27 -3.204 -1.026 7.358 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.960 0.145 4.809 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.458 -1.829 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.214 -1.223 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.593 0.214 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.051 -0.395 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.986 -3.371 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.296 -2.622 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.672 -3.504 5.676 1.00 0.00 H new ATOM 446 N SER A 28 -5.029 -2.320 5.053 1.00 0.00 N ATOM 447 CA SER A 28 -6.037 -3.095 4.338 1.00 0.00 C ATOM 448 C SER A 28 -6.899 -2.189 3.465 1.00 0.00 C ATOM 449 O SER A 28 -7.407 -2.612 2.425 1.00 0.00 O ATOM 450 CB SER A 28 -6.900 -3.863 5.321 1.00 0.00 C ATOM 451 OG SER A 28 -7.704 -3.012 6.092 1.00 0.00 O ATOM 0 H SER A 28 -5.115 -2.351 6.069 1.00 0.00 H new ATOM 0 HA SER A 28 -5.528 -3.806 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.533 -4.564 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.262 -4.453 5.979 1.00 0.00 H new ATOM 0 HG SER A 28 -7.137 -2.380 6.581 1.00 0.00 H new ATOM 457 N SER A 29 -7.060 -0.942 3.893 1.00 0.00 N ATOM 458 CA SER A 29 -7.730 0.065 3.078 1.00 0.00 C ATOM 459 C SER A 29 -6.832 0.524 1.933 1.00 0.00 C ATOM 460 O SER A 29 -7.297 0.740 0.812 1.00 0.00 O ATOM 461 CB SER A 29 -8.138 1.247 3.937 1.00 0.00 C ATOM 462 OG SER A 29 -9.137 0.906 4.859 1.00 0.00 O ATOM 0 H SER A 29 -6.736 -0.604 4.799 1.00 0.00 H new ATOM 0 HA SER A 29 -8.626 -0.383 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.266 1.625 4.471 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.495 2.054 3.297 1.00 0.00 H new ATOM 0 HG SER A 29 -9.111 1.529 5.615 1.00 0.00 H new ATOM 468 N LEU A 30 -5.543 0.670 2.222 1.00 0.00 N ATOM 469 CA LEU A 30 -4.573 1.066 1.208 1.00 0.00 C ATOM 470 C LEU A 30 -4.482 0.018 0.103 1.00 0.00 C ATOM 471 O LEU A 30 -4.505 0.347 -1.083 1.00 0.00 O ATOM 472 CB LEU A 30 -3.198 1.291 1.847 1.00 0.00 C ATOM 473 CG LEU A 30 -2.069 1.631 0.865 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.379 2.934 0.142 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.751 1.734 1.619 1.00 0.00 C ATOM 0 H LEU A 30 -5.146 0.520 3.150 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.909 2.002 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.281 2.099 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.920 0.393 2.398 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.986 0.839 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.571 3.166 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.313 2.831 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.475 3.740 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.050 1.976 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.823 2.518 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.534 0.782 2.105 1.00 0.00 H new ATOM 487 N LYS A 31 -4.381 -1.246 0.501 1.00 0.00 N ATOM 488 CA LYS A 31 -4.219 -2.337 -0.452 1.00 0.00 C ATOM 489 C LYS A 31 -5.496 -2.548 -1.259 1.00 0.00 C ATOM 490 O LYS A 31 -5.446 -2.896 -2.438 1.00 0.00 O ATOM 491 CB LYS A 31 -3.831 -3.628 0.270 1.00 0.00 C ATOM 492 CG LYS A 31 -4.990 -4.339 0.956 1.00 0.00 C ATOM 493 CD LYS A 31 -4.515 -5.573 1.708 1.00 0.00 C ATOM 494 CE LYS A 31 -5.674 -6.285 2.391 1.00 0.00 C ATOM 495 NZ LYS A 31 -5.224 -7.499 3.126 1.00 0.00 N ATOM 0 H LYS A 31 -4.409 -1.540 1.477 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.418 -2.067 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.377 -4.310 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.070 -3.398 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.480 -3.655 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.734 -4.627 0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.023 -6.256 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.773 -5.285 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.162 -5.601 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.417 -6.567 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.053 -8.029 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.663 -8.101 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.641 -7.216 3.939 1.00 0.00 H new ATOM 509 N ASP A 32 -6.640 -2.335 -0.616 1.00 0.00 N ATOM 510 CA ASP A 32 -7.926 -2.396 -1.300 1.00 0.00 C ATOM 511 C ASP A 32 -7.998 -1.354 -2.413 1.00 0.00 C ATOM 512 O ASP A 32 -8.437 -1.648 -3.525 1.00 0.00 O ATOM 513 CB ASP A 32 -9.073 -2.191 -0.309 1.00 0.00 C ATOM 514 CG ASP A 32 -10.462 -2.332 -0.917 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.776 -3.399 -1.391 1.00 0.00 O ATOM 516 OD2 ASP A 32 -11.250 -1.430 -0.763 1.00 0.00 O ATOM 0 H ASP A 32 -6.702 -2.118 0.379 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.024 -3.385 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.970 -2.912 0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.982 -1.199 0.133 1.00 0.00 H new ATOM 521 N LYS A 33 -7.564 -0.136 -2.106 1.00 0.00 N ATOM 522 CA LYS A 33 -7.575 0.947 -3.081 1.00 0.00 C ATOM 523 C LYS A 33 -6.577 0.678 -4.204 1.00 0.00 C ATOM 524 O LYS A 33 -6.857 0.951 -5.372 1.00 0.00 O ATOM 525 CB LYS A 33 -7.260 2.282 -2.403 1.00 0.00 C ATOM 526 CG LYS A 33 -8.392 2.835 -1.548 1.00 0.00 C ATOM 527 CD LYS A 33 -7.974 4.111 -0.834 1.00 0.00 C ATOM 528 CE LYS A 33 -9.134 4.722 -0.063 1.00 0.00 C ATOM 529 NZ LYS A 33 -8.688 5.814 0.844 1.00 0.00 N ATOM 0 H LYS A 33 -7.200 0.125 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.574 1.001 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.376 2.159 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.009 3.015 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.260 3.035 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.695 2.088 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.154 3.894 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.600 4.831 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.870 5.112 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.630 3.946 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.519 6.314 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.141 5.410 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.092 6.483 0.315 1.00 0.00 H new ATOM 543 N ILE A 34 -5.415 0.144 -3.842 1.00 0.00 N ATOM 544 CA ILE A 34 -4.447 -0.314 -4.830 1.00 0.00 C ATOM 545 C ILE A 34 -5.030 -1.422 -5.699 1.00 0.00 C ATOM 546 O ILE A 34 -4.774 -1.482 -6.902 1.00 0.00 O ATOM 547 CB ILE A 34 -3.155 -0.821 -4.162 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.395 0.341 -3.517 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.278 -1.538 -5.176 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.273 -0.096 -2.603 1.00 0.00 C ATOM 0 H ILE A 34 -5.122 0.018 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.206 0.545 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.425 -1.531 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.985 0.975 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.097 0.951 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.369 -1.890 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.820 -2.389 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.015 -0.851 -5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.782 0.782 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.678 -0.705 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.549 -0.681 -3.170 1.00 0.00 H new ATOM 562 N HIS A 35 -5.816 -2.299 -5.082 1.00 0.00 N ATOM 563 CA HIS A 35 -6.469 -3.382 -5.808 1.00 0.00 C ATOM 564 C HIS A 35 -7.517 -2.836 -6.772 1.00 0.00 C ATOM 565 O HIS A 35 -7.665 -3.331 -7.890 1.00 0.00 O ATOM 566 CB HIS A 35 -7.116 -4.374 -4.836 1.00 0.00 C ATOM 567 CG HIS A 35 -8.030 -5.357 -5.499 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.569 -6.364 -6.320 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.377 -5.487 -5.464 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.595 -7.073 -6.761 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.701 -6.561 -6.256 1.00 0.00 N ATOM 0 H HIS A 35 -6.016 -2.281 -4.082 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.706 -3.905 -6.385 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.331 -4.918 -4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.677 -3.819 -4.084 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.590 -6.535 -6.551 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.067 -4.863 -4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.537 -7.925 -7.422 1.00 0.00 H new ATOM 578 N ILE A 36 -8.243 -1.812 -6.334 1.00 0.00 N ATOM 579 CA ILE A 36 -9.239 -1.165 -7.178 1.00 0.00 C ATOM 580 C ILE A 36 -8.586 -0.506 -8.390 1.00 0.00 C ATOM 581 O ILE A 36 -9.116 -0.561 -9.500 1.00 0.00 O ATOM 582 CB ILE A 36 -10.039 -0.106 -6.398 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.930 -0.778 -5.349 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.873 0.737 -7.348 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.510 0.182 -4.335 1.00 0.00 C ATOM 0 H ILE A 36 -8.159 -1.413 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.922 -1.945 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.337 0.551 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.746 -1.293 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.349 -1.538 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.432 1.480 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.217 1.241 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.569 0.095 -7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.129 -0.368 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.701 0.680 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.119 0.927 -4.846 1.00 0.00 H new ATOM 597 N VAL A 37 -7.432 0.115 -8.169 1.00 0.00 N ATOM 598 CA VAL A 37 -6.690 0.758 -9.248 1.00 0.00 C ATOM 599 C VAL A 37 -6.082 -0.277 -10.188 1.00 0.00 C ATOM 600 O VAL A 37 -6.056 -0.086 -11.403 1.00 0.00 O ATOM 601 CB VAL A 37 -5.570 1.663 -8.703 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.678 2.148 -9.835 1.00 0.00 C ATOM 603 CG2 VAL A 37 -6.161 2.846 -7.949 1.00 0.00 C ATOM 0 H VAL A 37 -6.990 0.187 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.403 1.372 -9.799 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.963 1.080 -8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.892 2.786 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.228 1.291 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.274 2.715 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.356 3.475 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.791 3.428 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.760 2.483 -7.114 1.00 0.00 H new ATOM 613 N GLU A 38 -5.595 -1.374 -9.616 1.00 0.00 N ATOM 614 CA GLU A 38 -4.926 -2.408 -10.396 1.00 0.00 C ATOM 615 C GLU A 38 -5.902 -3.516 -10.781 1.00 0.00 C ATOM 616 O GLU A 38 -7.099 -3.423 -10.512 1.00 0.00 O ATOM 617 CB GLU A 38 -3.745 -2.991 -9.615 1.00 0.00 C ATOM 618 CG GLU A 38 -2.638 -1.991 -9.312 1.00 0.00 C ATOM 619 CD GLU A 38 -2.110 -1.363 -10.571 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.788 -2.085 -11.483 1.00 0.00 O ATOM 621 OE2 GLU A 38 -2.133 -0.158 -10.664 1.00 0.00 O ATOM 0 H GLU A 38 -5.651 -1.569 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.549 -1.950 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.114 -3.402 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.324 -3.821 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.018 -1.215 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.826 -2.492 -8.785 1.00 0.00 H new ATOM 628 N ASN A 39 -5.380 -4.564 -11.411 1.00 0.00 N ATOM 629 CA ASN A 39 -6.179 -5.744 -11.719 1.00 0.00 C ATOM 630 C ASN A 39 -5.602 -6.984 -11.043 1.00 0.00 C ATOM 631 O ASN A 39 -5.909 -8.115 -11.425 1.00 0.00 O ATOM 632 CB ASN A 39 -6.291 -5.965 -13.216 1.00 0.00 C ATOM 633 CG ASN A 39 -6.996 -4.853 -13.942 1.00 0.00 C ATOM 634 OD1 ASN A 39 -8.212 -4.671 -13.810 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.255 -4.160 -14.769 1.00 0.00 N ATOM 0 H ASN A 39 -4.409 -4.620 -11.718 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.181 -5.569 -11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.291 -6.081 -13.633 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.823 -6.899 -13.397 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.677 -3.430 -15.343 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.255 -4.350 -14.840 1.00 0.00 H new ATOM 642 N THR A 40 -4.765 -6.765 -10.033 1.00 0.00 N ATOM 643 CA THR A 40 -4.100 -7.860 -9.340 1.00 0.00 C ATOM 644 C THR A 40 -4.790 -8.173 -8.017 1.00 0.00 C ATOM 645 O THR A 40 -5.012 -7.295 -7.183 1.00 0.00 O ATOM 646 CB THR A 40 -2.617 -7.543 -9.071 1.00 0.00 C ATOM 647 OG1 THR A 40 -1.939 -7.331 -10.317 1.00 0.00 O ATOM 648 CG2 THR A 40 -1.953 -8.690 -8.326 1.00 0.00 C ATOM 0 H THR A 40 -4.532 -5.838 -9.677 1.00 0.00 H new ATOM 0 HA THR A 40 -4.162 -8.729 -9.995 1.00 0.00 H new ATOM 0 HB THR A 40 -2.558 -6.643 -8.458 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.996 -7.128 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.906 -8.448 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.459 -8.847 -7.374 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.017 -9.598 -8.925 1.00 0.00 H new ATOM 656 N PRO A 41 -5.138 -9.452 -7.818 1.00 0.00 N ATOM 657 CA PRO A 41 -5.810 -9.910 -6.598 1.00 0.00 C ATOM 658 C PRO A 41 -5.054 -9.513 -5.335 1.00 0.00 C ATOM 659 O PRO A 41 -3.823 -9.560 -5.298 1.00 0.00 O ATOM 660 CB PRO A 41 -5.880 -11.432 -6.764 1.00 0.00 C ATOM 661 CG PRO A 41 -5.885 -11.644 -8.239 1.00 0.00 C ATOM 662 CD PRO A 41 -4.982 -10.578 -8.799 1.00 0.00 C ATOM 0 HA PRO A 41 -6.793 -9.455 -6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.027 -11.923 -6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.778 -11.841 -6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.522 -12.640 -8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.893 -11.558 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.948 -10.917 -8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.282 -10.282 -9.804 1.00 0.00 H new ATOM 670 N ILE A 42 -5.795 -9.124 -4.305 1.00 0.00 N ATOM 671 CA ILE A 42 -5.193 -8.736 -3.034 1.00 0.00 C ATOM 672 C ILE A 42 -4.404 -9.890 -2.424 1.00 0.00 C ATOM 673 O ILE A 42 -3.325 -9.692 -1.866 1.00 0.00 O ATOM 674 CB ILE A 42 -6.258 -8.264 -2.027 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.857 -6.927 -2.471 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.658 -8.146 -0.635 1.00 0.00 C ATOM 677 CD1 ILE A 42 -8.068 -6.505 -1.670 1.00 0.00 C ATOM 0 H ILE A 42 -6.813 -9.069 -4.324 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.515 -7.909 -3.245 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.057 -9.005 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.093 -6.153 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.134 -6.995 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.424 -7.811 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.278 -9.117 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.841 -7.424 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.436 -5.549 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.850 -7.258 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.792 -6.403 -0.620 1.00 0.00 H new ATOM 689 N LYS A 43 -4.949 -11.096 -2.536 1.00 0.00 N ATOM 690 CA LYS A 43 -4.344 -12.270 -1.916 1.00 0.00 C ATOM 691 C LYS A 43 -2.999 -12.592 -2.559 1.00 0.00 C ATOM 692 O LYS A 43 -2.161 -13.266 -1.961 1.00 0.00 O ATOM 693 CB LYS A 43 -5.281 -13.475 -2.019 1.00 0.00 C ATOM 694 CG LYS A 43 -6.531 -13.375 -1.155 1.00 0.00 C ATOM 695 CD LYS A 43 -7.408 -14.608 -1.306 1.00 0.00 C ATOM 696 CE LYS A 43 -8.644 -14.521 -0.423 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.523 -15.713 -0.577 1.00 0.00 N ATOM 0 H LYS A 43 -5.809 -11.287 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.177 -12.046 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.582 -13.598 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.731 -14.373 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.245 -13.256 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.098 -12.487 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.710 -14.716 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.835 -15.498 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.339 -14.427 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.206 -13.621 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.353 -15.614 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.835 -15.789 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.995 -16.570 -0.314 1.00 0.00 H new ATOM 711 N ARG A 44 -2.800 -12.105 -3.780 1.00 0.00 N ATOM 712 CA ARG A 44 -1.577 -12.380 -4.522 1.00 0.00 C ATOM 713 C ARG A 44 -0.627 -11.188 -4.466 1.00 0.00 C ATOM 714 O ARG A 44 0.593 -11.354 -4.446 1.00 0.00 O ATOM 715 CB ARG A 44 -1.856 -12.807 -5.956 1.00 0.00 C ATOM 716 CG ARG A 44 -2.637 -14.104 -6.096 1.00 0.00 C ATOM 717 CD ARG A 44 -3.013 -14.444 -7.492 1.00 0.00 C ATOM 718 NE ARG A 44 -3.823 -15.645 -7.623 1.00 0.00 N ATOM 719 CZ ARG A 44 -4.248 -16.157 -8.794 1.00 0.00 C ATOM 720 NH1 ARG A 44 -3.976 -15.560 -9.934 1.00 0.00 N ATOM 721 NH2 ARG A 44 -4.968 -17.266 -8.765 1.00 0.00 N ATOM 0 H ARG A 44 -3.471 -11.518 -4.276 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.087 -13.224 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.408 -12.011 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.906 -12.913 -6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.042 -14.919 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.543 -14.035 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.559 -13.604 -7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.104 -14.568 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.088 -16.134 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.435 -14.695 -9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.306 -15.962 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.187 -17.709 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.305 -17.678 -9.635 1.00 0.00 H new ATOM 735 N MET A 45 -1.195 -9.987 -4.442 1.00 0.00 N ATOM 736 CA MET A 45 -0.396 -8.766 -4.405 1.00 0.00 C ATOM 737 C MET A 45 0.294 -8.610 -3.054 1.00 0.00 C ATOM 738 O MET A 45 -0.325 -8.792 -2.005 1.00 0.00 O ATOM 739 CB MET A 45 -1.274 -7.550 -4.696 1.00 0.00 C ATOM 740 CG MET A 45 -0.516 -6.233 -4.787 1.00 0.00 C ATOM 741 SD MET A 45 -0.289 -5.450 -3.177 1.00 0.00 S ATOM 742 CE MET A 45 -1.920 -4.764 -2.901 1.00 0.00 C ATOM 0 H MET A 45 -2.203 -9.832 -4.447 1.00 0.00 H new ATOM 0 HA MET A 45 0.373 -8.837 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.803 -7.716 -5.634 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.029 -7.467 -3.914 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.459 -6.410 -5.242 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.056 -5.552 -5.445 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.854 -3.948 -2.182 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.320 -4.387 -3.842 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.580 -5.539 -2.511 1.00 0.00 H new ATOM 752 N GLN A 46 1.578 -8.270 -3.087 1.00 0.00 N ATOM 753 CA GLN A 46 2.339 -8.037 -1.864 1.00 0.00 C ATOM 754 C GLN A 46 2.606 -6.549 -1.666 1.00 0.00 C ATOM 755 O GLN A 46 2.921 -5.831 -2.616 1.00 0.00 O ATOM 756 CB GLN A 46 3.665 -8.801 -1.901 1.00 0.00 C ATOM 757 CG GLN A 46 3.531 -10.261 -2.299 1.00 0.00 C ATOM 758 CD GLN A 46 2.710 -11.059 -1.304 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.024 -11.101 -0.112 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.653 -11.700 -1.790 1.00 0.00 N ATOM 0 H GLN A 46 2.114 -8.150 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 46 1.744 -8.400 -1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.338 -8.305 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.131 -8.745 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.067 -10.325 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.523 -10.704 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.431 -11.637 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.064 -12.255 -1.170 1.00 0.00 H new ATOM 769 N LEU A 47 2.479 -6.091 -0.426 1.00 0.00 N ATOM 770 CA LEU A 47 2.489 -4.661 -0.133 1.00 0.00 C ATOM 771 C LEU A 47 3.629 -4.309 0.818 1.00 0.00 C ATOM 772 O LEU A 47 3.674 -4.786 1.952 1.00 0.00 O ATOM 773 CB LEU A 47 1.142 -4.231 0.462 1.00 0.00 C ATOM 774 CG LEU A 47 0.959 -2.718 0.635 1.00 0.00 C ATOM 775 CD1 LEU A 47 0.919 -2.038 -0.727 1.00 0.00 C ATOM 776 CD2 LEU A 47 -0.322 -2.446 1.411 1.00 0.00 C ATOM 0 H LEU A 47 2.368 -6.688 0.393 1.00 0.00 H new ATOM 0 HA LEU A 47 2.648 -4.121 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.344 -4.607 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.023 -4.709 1.434 1.00 0.00 H new ATOM 0 HG LEU A 47 1.801 -2.312 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.789 -0.964 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.853 -2.227 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.086 -2.435 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.452 -1.371 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.172 -2.854 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.261 -2.918 2.391 1.00 0.00 H new ATOM 788 N TYR A 48 4.547 -3.470 0.349 1.00 0.00 N ATOM 789 CA TYR A 48 5.783 -3.205 1.074 1.00 0.00 C ATOM 790 C TYR A 48 5.933 -1.716 1.367 1.00 0.00 C ATOM 791 O TYR A 48 5.685 -0.873 0.504 1.00 0.00 O ATOM 792 CB TYR A 48 6.989 -3.712 0.281 1.00 0.00 C ATOM 793 CG TYR A 48 8.318 -3.465 0.961 1.00 0.00 C ATOM 794 CD1 TYR A 48 8.734 -4.257 2.022 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.152 -2.441 0.540 1.00 0.00 C ATOM 796 CE1 TYR A 48 9.946 -4.035 2.646 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.367 -2.210 1.156 1.00 0.00 C ATOM 798 CZ TYR A 48 10.760 -3.010 2.210 1.00 0.00 C ATOM 799 OH TYR A 48 11.969 -2.785 2.828 1.00 0.00 O ATOM 0 H TYR A 48 4.457 -2.962 -0.531 1.00 0.00 H new ATOM 0 HA TYR A 48 5.739 -3.739 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.874 -4.782 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.997 -3.230 -0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.099 -5.060 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.847 -1.813 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.255 -4.660 3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.005 -1.408 0.815 1.00 0.00 H new ATOM 0 HH TYR A 48 12.018 -3.312 3.653 1.00 0.00 H new ATOM 809 N TYR A 49 6.343 -1.397 2.589 1.00 0.00 N ATOM 810 CA TYR A 49 6.600 -0.015 2.974 1.00 0.00 C ATOM 811 C TYR A 49 8.093 0.223 3.185 1.00 0.00 C ATOM 812 O TYR A 49 8.714 -0.393 4.051 1.00 0.00 O ATOM 813 CB TYR A 49 5.825 0.342 4.244 1.00 0.00 C ATOM 814 CG TYR A 49 6.171 1.699 4.813 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.583 2.735 3.988 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.082 1.942 6.177 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.900 3.976 4.502 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.397 3.180 6.702 1.00 0.00 C ATOM 819 CZ TYR A 49 6.807 4.196 5.862 1.00 0.00 C ATOM 820 OH TYR A 49 7.120 5.430 6.381 1.00 0.00 O ATOM 0 H TYR A 49 6.505 -2.078 3.331 1.00 0.00 H new ATOM 0 HA TYR A 49 6.260 0.629 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.757 0.312 4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.018 -0.418 5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.657 2.567 2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.761 1.150 6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.219 4.771 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.323 3.353 7.766 1.00 0.00 H new ATOM 0 HH TYR A 49 6.497 5.648 7.105 1.00 0.00 H new ATOM 830 N SER A 50 8.661 1.121 2.387 1.00 0.00 N ATOM 831 CA SER A 50 10.089 1.411 2.457 1.00 0.00 C ATOM 832 C SER A 50 10.657 1.014 3.816 1.00 0.00 C ATOM 833 O SER A 50 10.516 1.743 4.797 1.00 0.00 O ATOM 834 CB SER A 50 10.339 2.882 2.186 1.00 0.00 C ATOM 835 OG SER A 50 11.700 3.208 2.259 1.00 0.00 O ATOM 0 H SER A 50 8.155 1.660 1.685 1.00 0.00 H new ATOM 0 HA SER A 50 10.597 0.823 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.958 3.138 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.784 3.482 2.907 1.00 0.00 H new ATOM 0 HG SER A 50 11.818 4.164 2.077 1.00 0.00 H new ATOM 841 N GLY A 51 11.302 -0.147 3.864 1.00 0.00 N ATOM 842 CA GLY A 51 11.894 -0.616 5.104 1.00 0.00 C ATOM 843 C GLY A 51 11.207 -1.856 5.643 1.00 0.00 C ATOM 844 O GLY A 51 11.819 -2.921 5.736 1.00 0.00 O ATOM 0 H GLY A 51 11.425 -0.771 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.950 -0.832 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.843 0.177 5.850 1.00 0.00 H new ATOM 848 N ILE A 52 9.935 -1.718 5.998 1.00 0.00 N ATOM 849 CA ILE A 52 9.174 -2.828 6.559 1.00 0.00 C ATOM 850 C ILE A 52 8.021 -3.222 5.641 1.00 0.00 C ATOM 851 O ILE A 52 7.459 -2.383 4.939 1.00 0.00 O ATOM 852 CB ILE A 52 8.616 -2.484 7.951 1.00 0.00 C ATOM 853 CG1 ILE A 52 7.715 -1.250 7.876 1.00 0.00 C ATOM 854 CG2 ILE A 52 9.752 -2.259 8.938 1.00 0.00 C ATOM 855 CD1 ILE A 52 7.004 -0.932 9.172 1.00 0.00 C ATOM 0 H ILE A 52 9.409 -0.849 5.907 1.00 0.00 H new ATOM 0 HA ILE A 52 9.863 -3.667 6.653 1.00 0.00 H new ATOM 0 HB ILE A 52 8.018 -3.325 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.317 -0.390 7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.972 -1.401 7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.340 -2.017 9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.355 -3.164 9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.376 -1.435 8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.385 -0.045 9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.374 -1.774 9.458 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.740 -0.747 9.955 1.00 0.00 H new ATOM 867 N GLU A 53 7.675 -4.506 5.654 1.00 0.00 N ATOM 868 CA GLU A 53 6.543 -4.999 4.877 1.00 0.00 C ATOM 869 C GLU A 53 5.233 -4.785 5.630 1.00 0.00 C ATOM 870 O GLU A 53 5.170 -4.948 6.849 1.00 0.00 O ATOM 871 CB GLU A 53 6.724 -6.482 4.544 1.00 0.00 C ATOM 872 CG GLU A 53 5.620 -7.071 3.678 1.00 0.00 C ATOM 873 CD GLU A 53 5.882 -8.519 3.370 1.00 0.00 C ATOM 874 OE1 GLU A 53 6.868 -9.037 3.835 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.041 -9.138 2.763 1.00 0.00 O ATOM 0 H GLU A 53 8.161 -5.222 6.193 1.00 0.00 H new ATOM 0 HA GLU A 53 6.502 -4.434 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.678 -6.614 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.779 -7.047 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.662 -6.973 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.544 -6.507 2.748 1.00 0.00 H new ATOM 882 N LEU A 54 4.189 -4.418 4.894 1.00 0.00 N ATOM 883 CA LEU A 54 2.904 -4.088 5.503 1.00 0.00 C ATOM 884 C LEU A 54 2.032 -5.331 5.645 1.00 0.00 C ATOM 885 O LEU A 54 0.988 -5.445 5.003 1.00 0.00 O ATOM 886 CB LEU A 54 2.182 -3.019 4.671 1.00 0.00 C ATOM 887 CG LEU A 54 2.937 -1.694 4.514 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.118 -0.723 3.673 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.225 -1.107 5.888 1.00 0.00 C ATOM 0 H LEU A 54 4.207 -4.341 3.877 1.00 0.00 H new ATOM 0 HA LEU A 54 3.091 -3.691 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.984 -3.426 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.215 -2.815 5.131 1.00 0.00 H new ATOM 0 HG LEU A 54 3.883 -1.873 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.662 0.215 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.942 -1.154 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.162 -0.535 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.762 -0.165 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.286 -0.929 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.834 -1.806 6.462 1.00 0.00 H new ATOM 901 N ALA A 55 2.467 -6.259 6.490 1.00 0.00 N ATOM 902 CA ALA A 55 1.917 -7.609 6.491 1.00 0.00 C ATOM 903 C ALA A 55 0.686 -7.701 7.385 1.00 0.00 C ATOM 904 O ALA A 55 -0.140 -8.601 7.231 1.00 0.00 O ATOM 905 CB ALA A 55 2.974 -8.607 6.941 1.00 0.00 C ATOM 0 H ALA A 55 3.199 -6.101 7.183 1.00 0.00 H new ATOM 0 HA ALA A 55 1.612 -7.851 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.551 -9.612 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.824 -8.569 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.305 -8.356 7.949 1.00 0.00 H new ATOM 911 N ASP A 56 0.568 -6.764 8.319 1.00 0.00 N ATOM 912 CA ASP A 56 -0.473 -6.827 9.337 1.00 0.00 C ATOM 913 C ASP A 56 -1.681 -5.987 8.934 1.00 0.00 C ATOM 914 O ASP A 56 -1.609 -4.759 8.894 1.00 0.00 O ATOM 915 CB ASP A 56 0.069 -6.358 10.690 1.00 0.00 C ATOM 916 CG ASP A 56 -0.934 -6.441 11.834 1.00 0.00 C ATOM 917 OD1 ASP A 56 -2.081 -6.718 11.572 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.519 -6.383 12.966 1.00 0.00 O ATOM 0 H ASP A 56 1.181 -5.952 8.392 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.792 -7.865 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.943 -6.958 10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.407 -5.326 10.594 1.00 0.00 H new ATOM 923 N ASP A 57 -2.787 -6.658 8.634 1.00 0.00 N ATOM 924 CA ASP A 57 -3.970 -5.985 8.106 1.00 0.00 C ATOM 925 C ASP A 57 -4.548 -5.018 9.135 1.00 0.00 C ATOM 926 O ASP A 57 -5.118 -3.986 8.779 1.00 0.00 O ATOM 927 CB ASP A 57 -5.029 -7.007 7.687 1.00 0.00 C ATOM 928 CG ASP A 57 -4.716 -7.743 6.391 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.881 -7.276 5.653 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.195 -8.838 6.223 1.00 0.00 O ATOM 0 H ASP A 57 -2.890 -7.666 8.747 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.670 -5.414 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.147 -7.738 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.986 -6.497 7.579 1.00 0.00 H new ATOM 935 N TYR A 58 -4.400 -5.361 10.410 1.00 0.00 N ATOM 936 CA TYR A 58 -5.087 -4.644 11.479 1.00 0.00 C ATOM 937 C TYR A 58 -4.211 -3.526 12.035 1.00 0.00 C ATOM 938 O TYR A 58 -4.648 -2.736 12.870 1.00 0.00 O ATOM 939 CB TYR A 58 -5.487 -5.607 12.599 1.00 0.00 C ATOM 940 CG TYR A 58 -6.501 -6.647 12.180 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.855 -6.349 12.149 1.00 0.00 C ATOM 942 CD2 TYR A 58 -6.101 -7.925 11.816 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.786 -7.295 11.768 1.00 0.00 C ATOM 944 CE2 TYR A 58 -7.023 -8.880 11.431 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.366 -8.561 11.409 1.00 0.00 C ATOM 946 OH TYR A 58 -9.289 -9.507 11.028 1.00 0.00 O ATOM 0 H TYR A 58 -3.811 -6.130 10.729 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.989 -4.198 11.060 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.594 -6.112 12.967 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.893 -5.032 13.431 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.187 -5.360 12.428 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.051 -8.178 11.834 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.837 -7.046 11.751 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.695 -9.870 11.149 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.828 -10.343 10.806 1.00 0.00 H new ATOM 956 N ARG A 59 -2.968 -3.467 11.564 1.00 0.00 N ATOM 957 CA ARG A 59 -2.050 -2.408 11.966 1.00 0.00 C ATOM 958 C ARG A 59 -2.277 -1.148 11.137 1.00 0.00 C ATOM 959 O ARG A 59 -2.383 -1.208 9.913 1.00 0.00 O ATOM 960 CB ARG A 59 -0.597 -2.857 11.914 1.00 0.00 C ATOM 961 CG ARG A 59 0.407 -1.835 12.422 1.00 0.00 C ATOM 962 CD ARG A 59 1.791 -2.354 12.567 1.00 0.00 C ATOM 963 NE ARG A 59 2.788 -1.338 12.863 1.00 0.00 N ATOM 964 CZ ARG A 59 4.108 -1.577 12.991 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.590 -2.796 12.887 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.906 -0.555 13.247 1.00 0.00 N ATOM 0 H ARG A 59 -2.575 -4.139 10.905 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.265 -2.170 13.008 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.493 -3.770 12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.347 -3.110 10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.420 -0.986 11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.069 -1.461 13.388 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.804 -3.100 13.361 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.073 -2.864 11.646 1.00 0.00 H new ATOM 0 HE ARG A 59 2.466 -0.378 12.982 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.962 -3.579 12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.592 -2.958 12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.518 0.384 13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.910 -0.705 13.349 1.00 0.00 H new ATOM 980 N ASN A 60 -2.352 -0.007 11.814 1.00 0.00 N ATOM 981 CA ASN A 60 -2.789 1.232 11.179 1.00 0.00 C ATOM 982 C ASN A 60 -1.650 1.866 10.385 1.00 0.00 C ATOM 983 O ASN A 60 -0.475 1.627 10.665 1.00 0.00 O ATOM 984 CB ASN A 60 -3.333 2.217 12.197 1.00 0.00 C ATOM 985 CG ASN A 60 -4.633 1.788 12.819 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.647 1.618 12.132 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.630 1.693 14.124 1.00 0.00 N ATOM 0 H ASN A 60 -2.116 0.086 12.802 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.596 0.979 10.491 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.593 2.358 12.985 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.473 3.184 11.715 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.492 1.469 14.621 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.766 1.843 14.644 1.00 0.00 H new ATOM 994 N LEU A 61 -2.007 2.674 9.393 1.00 0.00 N ATOM 995 CA LEU A 61 -1.018 3.407 8.611 1.00 0.00 C ATOM 996 C LEU A 61 -0.137 4.266 9.512 1.00 0.00 C ATOM 997 O LEU A 61 1.078 4.327 9.331 1.00 0.00 O ATOM 998 CB LEU A 61 -1.715 4.278 7.556 1.00 0.00 C ATOM 999 CG LEU A 61 -2.465 3.505 6.463 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.333 4.458 5.653 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.463 2.793 5.567 1.00 0.00 C ATOM 0 H LEU A 61 -2.973 2.838 9.111 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.379 2.684 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.420 4.938 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.968 4.914 7.081 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.115 2.760 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.861 3.901 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.056 4.940 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.704 5.217 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.995 2.244 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.803 3.527 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.872 2.098 6.163 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.758 4.924 10.485 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.022 5.720 11.460 1.00 0.00 C ATOM 1015 C ASN A 62 0.917 4.842 12.282 1.00 0.00 C ATOM 1016 O ASN A 62 2.044 5.234 12.583 1.00 0.00 O ATOM 1017 CB ASN A 62 -0.960 6.488 12.373 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.252 7.366 13.368 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.467 8.301 12.999 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.387 7.021 14.622 1.00 0.00 N ATOM 0 H ASN A 62 -1.769 4.922 10.619 1.00 0.00 H new ATOM 0 HA ASN A 62 0.575 6.444 10.905 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.621 7.104 11.764 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.590 5.780 12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.114 7.532 15.348 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.994 6.241 14.874 1.00 0.00 H new ATOM 1027 N GLU A 63 0.443 3.652 12.639 1.00 0.00 N ATOM 1028 CA GLU A 63 1.225 2.736 13.460 1.00 0.00 C ATOM 1029 C GLU A 63 2.452 2.236 12.702 1.00 0.00 C ATOM 1030 O GLU A 63 3.482 1.924 13.301 1.00 0.00 O ATOM 1031 CB GLU A 63 0.366 1.553 13.913 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.637 1.888 15.009 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.533 0.718 15.303 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.512 -0.227 14.551 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.157 0.719 16.339 1.00 0.00 O ATOM 0 H GLU A 63 -0.477 3.301 12.373 1.00 0.00 H new ATOM 0 HA GLU A 63 1.564 3.281 14.341 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.173 1.160 13.051 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.022 0.758 14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.106 2.179 15.915 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.240 2.743 14.704 1.00 0.00 H new ATOM 1042 N TYR A 64 2.334 2.165 11.381 1.00 0.00 N ATOM 1043 CA TYR A 64 3.456 1.777 10.534 1.00 0.00 C ATOM 1044 C TYR A 64 4.467 2.914 10.415 1.00 0.00 C ATOM 1045 O TYR A 64 5.626 2.694 10.068 1.00 0.00 O ATOM 1046 CB TYR A 64 2.963 1.364 9.145 1.00 0.00 C ATOM 1047 CG TYR A 64 2.453 -0.059 9.074 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.320 -1.132 9.210 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.105 -0.324 8.871 1.00 0.00 C ATOM 1050 CE1 TYR A 64 2.860 -2.434 9.145 1.00 0.00 C ATOM 1051 CE2 TYR A 64 0.634 -1.621 8.806 1.00 0.00 C ATOM 1052 CZ TYR A 64 1.516 -2.674 8.943 1.00 0.00 C ATOM 1053 OH TYR A 64 1.053 -3.968 8.878 1.00 0.00 O ATOM 0 H TYR A 64 1.473 2.371 10.874 1.00 0.00 H new ATOM 0 HA TYR A 64 3.950 0.924 11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.166 2.041 8.837 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.777 1.484 8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.372 -0.948 9.369 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.413 0.498 8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.549 -3.259 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.418 -1.810 8.649 1.00 0.00 H new ATOM 0 HH TYR A 64 0.073 -3.966 8.902 1.00 0.00 H new ATOM 1063 N GLY A 65 4.016 4.130 10.706 1.00 0.00 N ATOM 1064 CA GLY A 65 4.843 5.302 10.479 1.00 0.00 C ATOM 1065 C GLY A 65 4.703 5.845 9.071 1.00 0.00 C ATOM 1066 O GLY A 65 5.614 6.491 8.553 1.00 0.00 O ATOM 0 H GLY A 65 3.093 4.325 11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.571 6.079 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.887 5.048 10.665 1.00 0.00 H new ATOM 1070 N ILE A 66 3.557 5.583 8.448 1.00 0.00 N ATOM 1071 CA ILE A 66 3.322 6.006 7.074 1.00 0.00 C ATOM 1072 C ILE A 66 2.819 7.445 7.020 1.00 0.00 C ATOM 1073 O ILE A 66 1.815 7.788 7.646 1.00 0.00 O ATOM 1074 CB ILE A 66 2.307 5.089 6.366 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.894 3.689 6.175 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.895 5.685 5.028 1.00 0.00 C ATOM 1077 CD1 ILE A 66 1.885 2.660 5.722 1.00 0.00 C ATOM 0 H ILE A 66 2.778 5.080 8.874 1.00 0.00 H new ATOM 0 HA ILE A 66 4.279 5.939 6.556 1.00 0.00 H new ATOM 0 HB ILE A 66 1.419 5.006 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.700 3.740 5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.337 3.360 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.178 5.025 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.438 6.661 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.774 5.797 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.376 1.694 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.090 2.578 6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.459 2.964 4.766 1.00 0.00 H new ATOM 1089 N THR A 67 3.522 8.285 6.266 1.00 0.00 N ATOM 1090 CA THR A 67 3.273 9.720 6.284 1.00 0.00 C ATOM 1091 C THR A 67 2.735 10.202 4.941 1.00 0.00 C ATOM 1092 O THR A 67 2.359 9.398 4.090 1.00 0.00 O ATOM 1093 CB THR A 67 4.548 10.510 6.629 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.496 10.385 5.560 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.169 9.985 7.915 1.00 0.00 C ATOM 0 H THR A 67 4.269 7.995 5.635 1.00 0.00 H new ATOM 0 HA THR A 67 2.526 9.900 7.057 1.00 0.00 H new ATOM 0 HB THR A 67 4.281 11.558 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.306 10.890 5.781 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.069 10.555 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.456 10.090 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.427 8.933 7.791 1.00 0.00 H new ATOM 1103 N GLU A 68 2.705 11.518 4.759 1.00 0.00 N ATOM 1104 CA GLU A 68 2.183 12.107 3.531 1.00 0.00 C ATOM 1105 C GLU A 68 3.200 11.997 2.399 1.00 0.00 C ATOM 1106 O GLU A 68 2.877 12.232 1.235 1.00 0.00 O ATOM 1107 CB GLU A 68 1.801 13.572 3.758 1.00 0.00 C ATOM 1108 CG GLU A 68 0.633 13.776 4.712 1.00 0.00 C ATOM 1109 CD GLU A 68 0.369 15.237 4.946 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.071 16.046 4.387 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -0.603 15.548 5.594 1.00 0.00 O ATOM 0 H GLU A 68 3.036 12.196 5.445 1.00 0.00 H new ATOM 0 HA GLU A 68 1.289 11.552 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.669 14.105 4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.553 14.023 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.260 13.304 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.846 13.286 5.662 1.00 0.00 H new ATOM 1118 N PHE A 69 4.431 11.637 2.749 1.00 0.00 N ATOM 1119 CA PHE A 69 5.501 11.515 1.766 1.00 0.00 C ATOM 1120 C PHE A 69 5.904 10.056 1.580 1.00 0.00 C ATOM 1121 O PHE A 69 6.919 9.757 0.950 1.00 0.00 O ATOM 1122 CB PHE A 69 6.712 12.349 2.186 1.00 0.00 C ATOM 1123 CG PHE A 69 6.429 13.820 2.289 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.352 14.608 1.150 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.238 14.420 3.525 1.00 0.00 C ATOM 1126 CE1 PHE A 69 6.093 15.962 1.243 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.977 15.774 3.621 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.904 16.544 2.480 1.00 0.00 C ATOM 0 H PHE A 69 4.712 11.425 3.706 1.00 0.00 H new ATOM 0 HA PHE A 69 5.130 11.893 0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.072 11.990 3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.516 12.193 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.496 14.158 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.294 13.822 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.038 16.564 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.830 16.228 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.699 17.602 2.554 1.00 0.00 H new ATOM 1138 N SER A 70 5.102 9.150 2.132 1.00 0.00 N ATOM 1139 CA SER A 70 5.455 7.737 2.168 1.00 0.00 C ATOM 1140 C SER A 70 5.527 7.159 0.756 1.00 0.00 C ATOM 1141 O SER A 70 4.656 7.414 -0.073 1.00 0.00 O ATOM 1142 CB SER A 70 4.452 6.969 3.007 1.00 0.00 C ATOM 1143 OG SER A 70 4.687 5.588 2.974 1.00 0.00 O ATOM 0 H SER A 70 4.203 9.371 2.560 1.00 0.00 H new ATOM 0 HA SER A 70 6.440 7.639 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.498 7.320 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.444 7.174 2.645 1.00 0.00 H new ATOM 0 HG SER A 70 5.448 5.372 3.552 1.00 0.00 H new ATOM 1149 N GLU A 71 6.572 6.380 0.496 1.00 0.00 N ATOM 1150 CA GLU A 71 6.642 5.581 -0.722 1.00 0.00 C ATOM 1151 C GLU A 71 6.322 4.117 -0.431 1.00 0.00 C ATOM 1152 O GLU A 71 6.984 3.477 0.387 1.00 0.00 O ATOM 1153 CB GLU A 71 8.024 5.702 -1.365 1.00 0.00 C ATOM 1154 CG GLU A 71 8.164 4.979 -2.696 1.00 0.00 C ATOM 1155 CD GLU A 71 9.521 5.207 -3.303 1.00 0.00 C ATOM 1156 OE1 GLU A 71 9.832 6.333 -3.610 1.00 0.00 O ATOM 1157 OE2 GLU A 71 10.290 4.276 -3.356 1.00 0.00 O ATOM 0 H GLU A 71 7.380 6.285 1.111 1.00 0.00 H new ATOM 0 HA GLU A 71 5.897 5.964 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.251 6.758 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.769 5.310 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.003 3.911 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.393 5.326 -3.384 1.00 0.00 H new ATOM 1164 N ILE A 72 5.305 3.594 -1.105 1.00 0.00 N ATOM 1165 CA ILE A 72 4.871 2.219 -0.889 1.00 0.00 C ATOM 1166 C ILE A 72 5.100 1.369 -2.134 1.00 0.00 C ATOM 1167 O ILE A 72 4.628 1.701 -3.222 1.00 0.00 O ATOM 1168 CB ILE A 72 3.384 2.151 -0.497 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.130 2.959 0.778 1.00 0.00 C ATOM 1170 CG2 ILE A 72 2.950 0.705 -0.310 1.00 0.00 C ATOM 1171 CD1 ILE A 72 3.863 2.433 1.991 1.00 0.00 C ATOM 0 H ILE A 72 4.765 4.101 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 72 5.470 1.824 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 72 2.793 2.586 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.427 3.994 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.060 2.965 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.896 0.674 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.097 0.158 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.546 0.245 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.633 3.057 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.549 1.408 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.937 2.453 1.804 1.00 0.00 H new ATOM 1183 N VAL A 73 5.827 0.268 -1.967 1.00 0.00 N ATOM 1184 CA VAL A 73 6.230 -0.560 -3.097 1.00 0.00 C ATOM 1185 C VAL A 73 5.325 -1.779 -3.234 1.00 0.00 C ATOM 1186 O VAL A 73 5.100 -2.511 -2.271 1.00 0.00 O ATOM 1187 CB VAL A 73 7.691 -1.029 -2.962 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.090 -1.879 -4.159 1.00 0.00 C ATOM 1189 CG2 VAL A 73 8.622 0.166 -2.824 1.00 0.00 C ATOM 0 H VAL A 73 6.148 -0.071 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 73 6.140 0.059 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 73 7.776 -1.639 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.125 -2.202 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.442 -2.753 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.990 -1.292 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.650 -0.183 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.533 0.800 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.350 0.738 -1.937 1.00 0.00 H new ATOM 1199 N VAL A 74 4.807 -1.993 -4.440 1.00 0.00 N ATOM 1200 CA VAL A 74 3.899 -3.105 -4.697 1.00 0.00 C ATOM 1201 C VAL A 74 4.574 -4.184 -5.536 1.00 0.00 C ATOM 1202 O VAL A 74 5.139 -3.900 -6.592 1.00 0.00 O ATOM 1203 CB VAL A 74 2.619 -2.635 -5.413 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.746 -3.825 -5.778 1.00 0.00 C ATOM 1205 CG2 VAL A 74 1.848 -1.657 -4.541 1.00 0.00 C ATOM 0 H VAL A 74 5.001 -1.411 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 74 3.628 -3.521 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 74 2.907 -2.124 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.846 -3.475 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.298 -4.491 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.467 -4.363 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.947 -1.336 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.571 -2.144 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.472 -0.789 -4.328 1.00 0.00 H new ATOM 1215 N PHE A 75 4.510 -5.422 -5.058 1.00 0.00 N ATOM 1216 CA PHE A 75 5.064 -6.554 -5.792 1.00 0.00 C ATOM 1217 C PHE A 75 3.955 -7.475 -6.291 1.00 0.00 C ATOM 1218 O PHE A 75 3.037 -7.821 -5.545 1.00 0.00 O ATOM 1219 CB PHE A 75 6.043 -7.334 -4.915 1.00 0.00 C ATOM 1220 CG PHE A 75 7.236 -6.530 -4.477 1.00 0.00 C ATOM 1221 CD1 PHE A 75 8.356 -6.426 -5.287 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.239 -5.878 -3.252 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.453 -5.688 -4.886 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.334 -5.139 -2.849 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.442 -5.045 -3.666 1.00 0.00 C ATOM 0 H PHE A 75 4.080 -5.667 -4.166 1.00 0.00 H new ATOM 0 HA PHE A 75 5.602 -6.164 -6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.516 -7.697 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.388 -8.211 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.371 -6.928 -6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.376 -5.949 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.319 -5.615 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.323 -4.635 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.299 -4.469 -3.351 1.00 0.00 H new