USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 682 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 42 SER OG : rot 130:sc= 0.319 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -0.476 K(o=-0.16,f=-2.6) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -139:sc= 0.0123 (180deg=-0.097) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0.0132 USER MOD Single : A 1 SER N :NH3+ -166:sc= -0.0242 (180deg=-0.242) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00373) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= 1.31 (180deg=0.6) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 1.15 (180deg=0.722) USER MOD Single : A 28 HIS :FLIP no HE2:sc= -2.13! C(o=-3.4!,f=-2.1!) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0047 (180deg=-0.191) USER MOD Single : A 33 MET CE :methyl -134:sc= -1.51 (180deg=-3.88!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 38 THR OG1 : rot -83:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 52 HIS : no HE2:sc= -2.23 K(o=-2.2,f=-2.9!) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0.439 (180deg=0.423) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 58 THR OG1 : rot 179:sc= -0.386 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0469 (180deg=-0.374) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 25:sc= 1.2 USER MOD Single : A 66 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1) USER MOD Single : A 69 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.865 -8.412 -6.229 1.00 12.44 N ATOM 2 CA SER A 1 16.661 -8.670 -5.465 1.00 74.35 C ATOM 3 C SER A 1 16.228 -7.422 -4.707 1.00 4.25 C ATOM 4 O SER A 1 15.021 -7.144 -4.555 1.00 33.54 O ATOM 5 CB SER A 1 16.922 -9.833 -4.483 1.00 55.11 C ATOM 6 OG SER A 1 15.776 -10.158 -3.705 1.00 61.21 O ATOM 0 H1 SER A 1 18.013 -9.180 -6.914 1.00 12.44 H new ATOM 0 H2 SER A 1 17.768 -7.509 -6.736 1.00 12.44 H new ATOM 0 H3 SER A 1 18.680 -8.361 -5.585 1.00 12.44 H new ATOM 0 HA SER A 1 15.856 -8.945 -6.147 1.00 74.35 H new ATOM 0 HB2 SER A 1 17.238 -10.713 -5.043 1.00 55.11 H new ATOM 0 HB3 SER A 1 17.744 -9.566 -3.819 1.00 55.11 H new ATOM 0 HG SER A 1 15.990 -10.899 -3.101 1.00 61.21 H new ATOM 12 N LYS A 2 17.193 -6.657 -4.247 1.00 41.02 N ATOM 13 CA LYS A 2 16.903 -5.490 -3.476 1.00 21.45 C ATOM 14 C LYS A 2 16.606 -4.309 -4.375 1.00 14.22 C ATOM 15 O LYS A 2 17.499 -3.551 -4.753 1.00 52.10 O ATOM 16 CB LYS A 2 18.034 -5.166 -2.496 1.00 64.34 C ATOM 17 CG LYS A 2 18.371 -6.312 -1.548 1.00 22.32 C ATOM 18 CD LYS A 2 19.471 -5.936 -0.565 1.00 13.14 C ATOM 19 CE LYS A 2 19.026 -4.818 0.363 1.00 20.14 C ATOM 20 NZ LYS A 2 20.077 -4.437 1.323 1.00 44.03 N ATOM 0 H LYS A 2 18.186 -6.831 -4.400 1.00 41.02 H new ATOM 0 HA LYS A 2 16.011 -5.699 -2.885 1.00 21.45 H new ATOM 0 HB2 LYS A 2 18.927 -4.899 -3.061 1.00 64.34 H new ATOM 0 HB3 LYS A 2 17.755 -4.291 -1.909 1.00 64.34 H new ATOM 0 HG2 LYS A 2 17.476 -6.601 -0.997 1.00 22.32 H new ATOM 0 HG3 LYS A 2 18.684 -7.181 -2.127 1.00 22.32 H new ATOM 0 HD2 LYS A 2 19.750 -6.810 0.023 1.00 13.14 H new ATOM 0 HD3 LYS A 2 20.360 -5.624 -1.113 1.00 13.14 H new ATOM 0 HE2 LYS A 2 18.745 -3.947 -0.229 1.00 20.14 H new ATOM 0 HE3 LYS A 2 18.136 -5.133 0.908 1.00 20.14 H new ATOM 0 HZ1 LYS A 2 19.728 -3.672 1.934 1.00 44.03 H new ATOM 0 HZ2 LYS A 2 20.328 -5.260 1.907 1.00 44.03 H new ATOM 0 HZ3 LYS A 2 20.918 -4.110 0.806 1.00 44.03 H new ATOM 34 N CYS A 3 15.369 -4.214 -4.782 1.00 62.14 N ATOM 35 CA CYS A 3 14.921 -3.111 -5.591 1.00 32.12 C ATOM 36 C CYS A 3 14.726 -1.906 -4.698 1.00 34.34 C ATOM 37 O CYS A 3 15.300 -0.839 -4.936 1.00 60.53 O ATOM 38 CB CYS A 3 13.601 -3.462 -6.267 1.00 43.20 C ATOM 39 SG CYS A 3 13.641 -5.005 -7.221 1.00 43.25 S ATOM 0 H CYS A 3 14.644 -4.897 -4.563 1.00 62.14 H new ATOM 0 HA CYS A 3 15.663 -2.894 -6.360 1.00 32.12 H new ATOM 0 HB2 CYS A 3 12.825 -3.539 -5.506 1.00 43.20 H new ATOM 0 HB3 CYS A 3 13.317 -2.645 -6.930 1.00 43.20 H new ATOM 44 N LYS A 4 13.917 -2.105 -3.642 1.00 2.11 N ATOM 45 CA LYS A 4 13.599 -1.070 -2.658 1.00 2.24 C ATOM 46 C LYS A 4 12.947 0.152 -3.333 1.00 3.10 C ATOM 47 O LYS A 4 12.524 0.096 -4.501 1.00 0.15 O ATOM 48 CB LYS A 4 14.873 -0.642 -1.899 1.00 30.13 C ATOM 49 CG LYS A 4 15.593 -1.777 -1.173 1.00 51.40 C ATOM 50 CD LYS A 4 16.844 -1.281 -0.454 1.00 3.54 C ATOM 51 CE LYS A 4 16.504 -0.289 0.647 1.00 32.15 C ATOM 52 NZ LYS A 4 17.708 0.255 1.307 1.00 1.15 N ATOM 0 H LYS A 4 13.464 -2.999 -3.451 1.00 2.11 H new ATOM 0 HA LYS A 4 12.887 -1.487 -1.946 1.00 2.24 H new ATOM 0 HB2 LYS A 4 15.565 -0.184 -2.606 1.00 30.13 H new ATOM 0 HB3 LYS A 4 14.606 0.125 -1.172 1.00 30.13 H new ATOM 0 HG2 LYS A 4 14.916 -2.235 -0.452 1.00 51.40 H new ATOM 0 HG3 LYS A 4 15.868 -2.551 -1.889 1.00 51.40 H new ATOM 0 HD2 LYS A 4 17.379 -2.129 -0.027 1.00 3.54 H new ATOM 0 HD3 LYS A 4 17.515 -0.811 -1.173 1.00 3.54 H new ATOM 0 HE2 LYS A 4 15.922 0.531 0.226 1.00 32.15 H new ATOM 0 HE3 LYS A 4 15.875 -0.778 1.391 1.00 32.15 H new ATOM 0 HZ1 LYS A 4 17.424 0.926 2.049 1.00 1.15 H new ATOM 0 HZ2 LYS A 4 18.252 -0.523 1.733 1.00 1.15 H new ATOM 0 HZ3 LYS A 4 18.297 0.745 0.604 1.00 1.15 H new ATOM 66 N CYS A 5 12.831 1.207 -2.599 1.00 42.13 N ATOM 67 CA CYS A 5 12.354 2.449 -3.128 1.00 24.54 C ATOM 68 C CYS A 5 13.483 3.459 -3.072 1.00 44.23 C ATOM 69 O CYS A 5 14.556 3.153 -2.523 1.00 20.42 O ATOM 70 CB CYS A 5 11.096 2.923 -2.385 1.00 0.42 C ATOM 71 SG CYS A 5 9.671 1.781 -2.543 1.00 5.12 S ATOM 0 H CYS A 5 13.065 1.236 -1.607 1.00 42.13 H new ATOM 0 HA CYS A 5 12.052 2.324 -4.168 1.00 24.54 H new ATOM 0 HB2 CYS A 5 11.334 3.048 -1.329 1.00 0.42 H new ATOM 0 HB3 CYS A 5 10.808 3.903 -2.765 1.00 0.42 H new ATOM 76 N SER A 6 13.271 4.628 -3.637 1.00 52.32 N ATOM 77 CA SER A 6 14.298 5.642 -3.711 1.00 34.13 C ATOM 78 C SER A 6 14.762 6.097 -2.325 1.00 4.40 C ATOM 79 O SER A 6 15.964 6.086 -2.022 1.00 60.12 O ATOM 80 CB SER A 6 13.780 6.814 -4.520 1.00 32.14 C ATOM 81 OG SER A 6 13.345 6.365 -5.795 1.00 41.53 O ATOM 0 H SER A 6 12.383 4.901 -4.057 1.00 52.32 H new ATOM 0 HA SER A 6 15.171 5.212 -4.203 1.00 34.13 H new ATOM 0 HB2 SER A 6 12.956 7.295 -3.993 1.00 32.14 H new ATOM 0 HB3 SER A 6 14.564 7.562 -4.636 1.00 32.14 H new ATOM 0 HG SER A 6 13.010 7.126 -6.313 1.00 41.53 H new ATOM 87 N ARG A 7 13.834 6.479 -1.475 1.00 44.22 N ATOM 88 CA ARG A 7 14.229 6.934 -0.172 1.00 63.31 C ATOM 89 C ARG A 7 13.593 6.102 0.936 1.00 12.21 C ATOM 90 O ARG A 7 14.298 5.461 1.715 1.00 24.42 O ATOM 91 CB ARG A 7 13.942 8.433 0.016 1.00 21.40 C ATOM 92 CG ARG A 7 14.489 8.990 1.321 1.00 30.30 C ATOM 93 CD ARG A 7 16.000 8.813 1.382 1.00 12.04 C ATOM 94 NE ARG A 7 16.572 9.253 2.647 1.00 25.25 N ATOM 95 CZ ARG A 7 17.763 8.861 3.117 1.00 54.02 C ATOM 96 NH1 ARG A 7 18.522 8.022 2.406 1.00 53.31 N ATOM 97 NH2 ARG A 7 18.186 9.308 4.295 1.00 22.10 N ATOM 0 H ARG A 7 12.831 6.483 -1.659 1.00 44.22 H new ATOM 0 HA ARG A 7 15.308 6.796 -0.100 1.00 63.31 H new ATOM 0 HB2 ARG A 7 14.375 8.986 -0.817 1.00 21.40 H new ATOM 0 HB3 ARG A 7 12.865 8.597 -0.018 1.00 21.40 H new ATOM 0 HG2 ARG A 7 14.237 10.047 1.407 1.00 30.30 H new ATOM 0 HG3 ARG A 7 14.023 8.481 2.165 1.00 30.30 H new ATOM 0 HD2 ARG A 7 16.244 7.762 1.225 1.00 12.04 H new ATOM 0 HD3 ARG A 7 16.459 9.373 0.567 1.00 12.04 H new ATOM 0 HE ARG A 7 16.028 9.904 3.214 1.00 25.25 H new ATOM 0 HH11 ARG A 7 18.195 7.679 1.503 1.00 53.31 H new ATOM 0 HH12 ARG A 7 19.429 7.725 2.766 1.00 53.31 H new ATOM 0 HH21 ARG A 7 17.604 9.947 4.837 1.00 22.10 H new ATOM 0 HH22 ARG A 7 19.092 9.012 4.657 1.00 22.10 H new ATOM 111 N LYS A 8 12.276 6.116 1.002 1.00 11.54 N ATOM 112 CA LYS A 8 11.536 5.386 2.025 1.00 2.53 C ATOM 113 C LYS A 8 10.190 4.988 1.521 1.00 54.13 C ATOM 114 O LYS A 8 9.815 5.280 0.379 1.00 35.52 O ATOM 115 CB LYS A 8 11.293 6.242 3.293 1.00 11.21 C ATOM 116 CG LYS A 8 12.493 6.525 4.165 1.00 25.33 C ATOM 117 CD LYS A 8 12.109 7.371 5.391 1.00 24.21 C ATOM 118 CE LYS A 8 11.051 6.698 6.282 1.00 4.44 C ATOM 119 NZ LYS A 8 11.501 5.391 6.829 1.00 15.42 N ATOM 0 H LYS A 8 11.685 6.632 0.351 1.00 11.54 H new ATOM 0 HA LYS A 8 12.146 4.517 2.269 1.00 2.53 H new ATOM 0 HB2 LYS A 8 10.867 7.196 2.982 1.00 11.21 H new ATOM 0 HB3 LYS A 8 10.541 5.740 3.902 1.00 11.21 H new ATOM 0 HG2 LYS A 8 12.935 5.585 4.494 1.00 25.33 H new ATOM 0 HG3 LYS A 8 13.252 7.048 3.583 1.00 25.33 H new ATOM 0 HD2 LYS A 8 13.003 7.567 5.984 1.00 24.21 H new ATOM 0 HD3 LYS A 8 11.731 8.336 5.055 1.00 24.21 H new ATOM 0 HE2 LYS A 8 10.801 7.365 7.107 1.00 4.44 H new ATOM 0 HE3 LYS A 8 10.138 6.550 5.705 1.00 4.44 H new ATOM 0 HZ1 LYS A 8 10.755 4.993 7.434 1.00 15.42 H new ATOM 0 HZ2 LYS A 8 11.698 4.736 6.046 1.00 15.42 H new ATOM 0 HZ3 LYS A 8 12.366 5.529 7.390 1.00 15.42 H new ATOM 133 N GLY A 9 9.480 4.315 2.375 1.00 32.22 N ATOM 134 CA GLY A 9 8.105 4.034 2.177 1.00 1.42 C ATOM 135 C GLY A 9 7.363 4.690 3.303 1.00 54.02 C ATOM 136 O GLY A 9 7.227 4.096 4.377 1.00 73.02 O ATOM 0 H GLY A 9 9.856 3.941 3.246 1.00 32.22 H new ATOM 0 HA2 GLY A 9 7.766 4.418 1.215 1.00 1.42 H new ATOM 0 HA3 GLY A 9 7.927 2.959 2.171 1.00 1.42 H new ATOM 140 N PRO A 10 6.934 5.946 3.097 1.00 34.32 N ATOM 141 CA PRO A 10 6.276 6.776 4.120 1.00 44.44 C ATOM 142 C PRO A 10 5.135 6.064 4.830 1.00 31.23 C ATOM 143 O PRO A 10 4.448 5.218 4.244 1.00 22.14 O ATOM 144 CB PRO A 10 5.745 7.969 3.324 1.00 12.03 C ATOM 145 CG PRO A 10 6.662 8.068 2.158 1.00 22.04 C ATOM 146 CD PRO A 10 7.056 6.655 1.823 1.00 61.11 C ATOM 0 HA PRO A 10 6.969 7.044 4.917 1.00 44.44 H new ATOM 0 HB2 PRO A 10 4.714 7.809 3.007 1.00 12.03 H new ATOM 0 HB3 PRO A 10 5.758 8.882 3.919 1.00 12.03 H new ATOM 0 HG2 PRO A 10 6.168 8.547 1.312 1.00 22.04 H new ATOM 0 HG3 PRO A 10 7.537 8.671 2.399 1.00 22.04 H new ATOM 0 HD2 PRO A 10 6.402 6.227 1.063 1.00 61.11 H new ATOM 0 HD3 PRO A 10 8.073 6.605 1.433 1.00 61.11 H new ATOM 154 N LYS A 11 4.941 6.409 6.080 1.00 64.24 N ATOM 155 CA LYS A 11 3.914 5.815 6.879 1.00 34.33 C ATOM 156 C LYS A 11 2.559 6.361 6.432 1.00 13.42 C ATOM 157 O LYS A 11 2.248 7.550 6.607 1.00 35.32 O ATOM 158 CB LYS A 11 4.178 6.089 8.356 1.00 21.21 C ATOM 159 CG LYS A 11 3.232 5.386 9.301 1.00 71.03 C ATOM 160 CD LYS A 11 3.578 5.703 10.739 1.00 74.22 C ATOM 161 CE LYS A 11 2.711 4.920 11.694 1.00 34.41 C ATOM 162 NZ LYS A 11 3.042 5.219 13.095 1.00 13.01 N ATOM 0 H LYS A 11 5.496 7.113 6.567 1.00 64.24 H new ATOM 0 HA LYS A 11 3.909 4.733 6.746 1.00 34.33 H new ATOM 0 HB2 LYS A 11 5.198 5.787 8.592 1.00 21.21 H new ATOM 0 HB3 LYS A 11 4.115 7.163 8.531 1.00 21.21 H new ATOM 0 HG2 LYS A 11 2.207 5.693 9.092 1.00 71.03 H new ATOM 0 HG3 LYS A 11 3.282 4.309 9.139 1.00 71.03 H new ATOM 0 HD2 LYS A 11 4.627 5.472 10.923 1.00 74.22 H new ATOM 0 HD3 LYS A 11 3.451 6.770 10.920 1.00 74.22 H new ATOM 0 HE2 LYS A 11 1.662 5.154 11.509 1.00 34.41 H new ATOM 0 HE3 LYS A 11 2.837 3.853 11.509 1.00 34.41 H new ATOM 0 HZ1 LYS A 11 2.427 4.663 13.723 1.00 13.01 H new ATOM 0 HZ2 LYS A 11 4.036 4.973 13.277 1.00 13.01 H new ATOM 0 HZ3 LYS A 11 2.898 6.233 13.277 1.00 13.01 H new ATOM 176 N ILE A 12 1.805 5.503 5.824 1.00 14.52 N ATOM 177 CA ILE A 12 0.525 5.818 5.242 1.00 61.00 C ATOM 178 C ILE A 12 -0.583 5.341 6.163 1.00 2.42 C ATOM 179 O ILE A 12 -0.396 4.382 6.909 1.00 62.03 O ATOM 180 CB ILE A 12 0.407 5.105 3.861 1.00 14.31 C ATOM 181 CG1 ILE A 12 1.612 5.468 2.994 1.00 53.30 C ATOM 182 CG2 ILE A 12 -0.879 5.508 3.144 1.00 65.32 C ATOM 183 CD1 ILE A 12 1.668 4.743 1.683 1.00 34.11 C ATOM 0 H ILE A 12 2.067 4.524 5.711 1.00 14.52 H new ATOM 0 HA ILE A 12 0.435 6.896 5.106 1.00 61.00 H new ATOM 0 HB ILE A 12 0.383 4.029 4.031 1.00 14.31 H new ATOM 0 HG12 ILE A 12 1.597 6.541 2.802 1.00 53.30 H new ATOM 0 HG13 ILE A 12 2.524 5.256 3.552 1.00 53.30 H new ATOM 0 HG21 ILE A 12 -0.936 4.996 2.183 1.00 65.32 H new ATOM 0 HG22 ILE A 12 -1.738 5.230 3.754 1.00 65.32 H new ATOM 0 HG23 ILE A 12 -0.883 6.586 2.981 1.00 65.32 H new ATOM 0 HD11 ILE A 12 2.553 5.059 1.130 1.00 34.11 H new ATOM 0 HD12 ILE A 12 1.716 3.669 1.863 1.00 34.11 H new ATOM 0 HD13 ILE A 12 0.775 4.974 1.101 1.00 34.11 H new ATOM 195 N ARG A 13 -1.686 6.047 6.183 1.00 43.53 N ATOM 196 CA ARG A 13 -2.844 5.588 6.901 1.00 70.23 C ATOM 197 C ARG A 13 -3.776 4.937 5.913 1.00 11.03 C ATOM 198 O ARG A 13 -3.653 5.150 4.711 1.00 71.12 O ATOM 199 CB ARG A 13 -3.568 6.726 7.603 1.00 21.05 C ATOM 200 CG ARG A 13 -2.780 7.412 8.696 1.00 3.41 C ATOM 201 CD ARG A 13 -3.580 8.549 9.312 1.00 52.24 C ATOM 202 NE ARG A 13 -4.847 8.087 9.907 1.00 64.01 N ATOM 203 CZ ARG A 13 -5.906 8.870 10.146 1.00 71.51 C ATOM 204 NH1 ARG A 13 -5.861 10.167 9.851 1.00 3.04 N ATOM 205 NH2 ARG A 13 -6.999 8.359 10.693 1.00 15.33 N ATOM 0 H ARG A 13 -1.804 6.942 5.709 1.00 43.53 H new ATOM 0 HA ARG A 13 -2.523 4.884 7.669 1.00 70.23 H new ATOM 0 HB2 ARG A 13 -3.850 7.470 6.858 1.00 21.05 H new ATOM 0 HB3 ARG A 13 -4.492 6.338 8.032 1.00 21.05 H new ATOM 0 HG2 ARG A 13 -2.516 6.689 9.467 1.00 3.41 H new ATOM 0 HG3 ARG A 13 -1.846 7.799 8.288 1.00 3.41 H new ATOM 0 HD2 ARG A 13 -2.979 9.039 10.078 1.00 52.24 H new ATOM 0 HD3 ARG A 13 -3.792 9.296 8.547 1.00 52.24 H new ATOM 0 HE ARG A 13 -4.922 7.100 10.154 1.00 64.01 H new ATOM 0 HH11 ARG A 13 -5.017 10.568 9.441 1.00 3.04 H new ATOM 0 HH12 ARG A 13 -6.670 10.760 10.035 1.00 3.04 H new ATOM 0 HH21 ARG A 13 -7.034 7.368 10.932 1.00 15.33 H new ATOM 0 HH22 ARG A 13 -7.805 8.956 10.875 1.00 15.33 H new ATOM 219 N TYR A 14 -4.718 4.181 6.400 1.00 70.35 N ATOM 220 CA TYR A 14 -5.647 3.463 5.541 1.00 1.24 C ATOM 221 C TYR A 14 -6.589 4.452 4.868 1.00 14.33 C ATOM 222 O TYR A 14 -7.120 4.203 3.784 1.00 61.34 O ATOM 223 CB TYR A 14 -6.431 2.450 6.366 1.00 13.14 C ATOM 224 CG TYR A 14 -5.543 1.533 7.175 1.00 54.20 C ATOM 225 CD1 TYR A 14 -4.893 0.456 6.593 1.00 73.33 C ATOM 226 CD2 TYR A 14 -5.351 1.752 8.537 1.00 70.22 C ATOM 227 CE1 TYR A 14 -4.085 -0.366 7.332 1.00 51.30 C ATOM 228 CE2 TYR A 14 -4.540 0.929 9.283 1.00 24.10 C ATOM 229 CZ TYR A 14 -3.908 -0.129 8.677 1.00 22.45 C ATOM 230 OH TYR A 14 -3.088 -0.957 9.419 1.00 63.01 O ATOM 0 H TYR A 14 -4.873 4.038 7.398 1.00 70.35 H new ATOM 0 HA TYR A 14 -5.094 2.928 4.769 1.00 1.24 H new ATOM 0 HB2 TYR A 14 -7.104 2.981 7.039 1.00 13.14 H new ATOM 0 HB3 TYR A 14 -7.052 1.851 5.700 1.00 13.14 H new ATOM 0 HD1 TYR A 14 -5.026 0.262 5.539 1.00 73.33 H new ATOM 0 HD2 TYR A 14 -5.848 2.583 9.016 1.00 70.22 H new ATOM 0 HE1 TYR A 14 -3.587 -1.200 6.860 1.00 51.30 H new ATOM 0 HE2 TYR A 14 -4.401 1.113 10.338 1.00 24.10 H new ATOM 0 HH TYR A 14 -3.071 -0.651 10.350 1.00 63.01 H new ATOM 240 N SER A 15 -6.750 5.584 5.518 1.00 0.02 N ATOM 241 CA SER A 15 -7.580 6.666 5.054 1.00 43.11 C ATOM 242 C SER A 15 -6.966 7.334 3.801 1.00 51.01 C ATOM 243 O SER A 15 -7.672 7.947 2.995 1.00 43.51 O ATOM 244 CB SER A 15 -7.663 7.692 6.170 1.00 2.12 C ATOM 245 OG SER A 15 -8.076 7.075 7.390 1.00 11.01 O ATOM 0 H SER A 15 -6.293 5.779 6.409 1.00 0.02 H new ATOM 0 HA SER A 15 -8.566 6.283 4.789 1.00 43.11 H new ATOM 0 HB2 SER A 15 -6.692 8.167 6.307 1.00 2.12 H new ATOM 0 HB3 SER A 15 -8.367 8.478 5.897 1.00 2.12 H new ATOM 0 HG SER A 15 -8.123 7.750 8.099 1.00 11.01 H new ATOM 251 N ASP A 16 -5.650 7.189 3.649 1.00 0.30 N ATOM 252 CA ASP A 16 -4.908 7.820 2.553 1.00 32.43 C ATOM 253 C ASP A 16 -4.944 6.995 1.307 1.00 72.11 C ATOM 254 O ASP A 16 -4.682 7.507 0.204 1.00 72.21 O ATOM 255 CB ASP A 16 -3.435 8.030 2.917 1.00 73.44 C ATOM 256 CG ASP A 16 -3.188 9.041 3.993 1.00 4.53 C ATOM 257 OD1 ASP A 16 -3.312 8.713 5.185 1.00 12.13 O ATOM 258 OD2 ASP A 16 -2.806 10.174 3.667 1.00 51.41 O ATOM 0 H ASP A 16 -5.069 6.634 4.277 1.00 0.30 H new ATOM 0 HA ASP A 16 -5.397 8.779 2.381 1.00 32.43 H new ATOM 0 HB2 ASP A 16 -3.014 7.075 3.233 1.00 73.44 H new ATOM 0 HB3 ASP A 16 -2.895 8.336 2.021 1.00 73.44 H new ATOM 263 N VAL A 17 -5.261 5.739 1.456 1.00 3.43 N ATOM 264 CA VAL A 17 -5.185 4.821 0.347 1.00 60.14 C ATOM 265 C VAL A 17 -6.478 4.824 -0.455 1.00 22.22 C ATOM 266 O VAL A 17 -7.572 4.603 0.085 1.00 70.34 O ATOM 267 CB VAL A 17 -4.862 3.388 0.814 1.00 40.51 C ATOM 268 CG1 VAL A 17 -4.591 2.476 -0.365 1.00 61.54 C ATOM 269 CG2 VAL A 17 -3.721 3.360 1.813 1.00 65.04 C ATOM 0 H VAL A 17 -5.575 5.325 2.334 1.00 3.43 H new ATOM 0 HA VAL A 17 -4.371 5.163 -0.293 1.00 60.14 H new ATOM 0 HB VAL A 17 -5.744 3.010 1.331 1.00 40.51 H new ATOM 0 HG11 VAL A 17 -4.366 1.472 -0.004 1.00 61.54 H new ATOM 0 HG12 VAL A 17 -5.470 2.442 -1.008 1.00 61.54 H new ATOM 0 HG13 VAL A 17 -3.741 2.857 -0.932 1.00 61.54 H new ATOM 0 HG21 VAL A 17 -3.527 2.331 2.115 1.00 65.04 H new ATOM 0 HG22 VAL A 17 -2.825 3.778 1.354 1.00 65.04 H new ATOM 0 HG23 VAL A 17 -3.990 3.951 2.689 1.00 65.04 H new ATOM 279 N LYS A 18 -6.347 5.065 -1.731 1.00 11.41 N ATOM 280 CA LYS A 18 -7.468 5.101 -2.652 1.00 51.22 C ATOM 281 C LYS A 18 -7.519 3.742 -3.365 1.00 43.31 C ATOM 282 O LYS A 18 -8.584 3.231 -3.723 1.00 1.04 O ATOM 283 CB LYS A 18 -7.182 6.224 -3.665 1.00 73.14 C ATOM 284 CG LYS A 18 -8.332 6.806 -4.407 1.00 21.31 C ATOM 285 CD LYS A 18 -8.977 5.870 -5.356 1.00 42.55 C ATOM 286 CE LYS A 18 -10.013 6.626 -6.073 1.00 63.12 C ATOM 287 NZ LYS A 18 -10.737 5.815 -7.069 1.00 42.14 N ATOM 0 H LYS A 18 -5.447 5.246 -2.175 1.00 11.41 H new ATOM 0 HA LYS A 18 -8.418 5.286 -2.151 1.00 51.22 H new ATOM 0 HB2 LYS A 18 -6.684 7.034 -3.133 1.00 73.14 H new ATOM 0 HB3 LYS A 18 -6.472 5.840 -4.398 1.00 73.14 H new ATOM 0 HG2 LYS A 18 -9.077 7.149 -3.689 1.00 21.31 H new ATOM 0 HG3 LYS A 18 -7.990 7.684 -4.955 1.00 21.31 H new ATOM 0 HD2 LYS A 18 -8.245 5.464 -6.054 1.00 42.55 H new ATOM 0 HD3 LYS A 18 -9.415 5.025 -4.825 1.00 42.55 H new ATOM 0 HE2 LYS A 18 -10.726 7.027 -5.352 1.00 63.12 H new ATOM 0 HE3 LYS A 18 -9.552 7.478 -6.573 1.00 63.12 H new ATOM 0 HZ1 LYS A 18 -11.453 6.403 -7.541 1.00 42.14 H new ATOM 0 HZ2 LYS A 18 -10.066 5.453 -7.776 1.00 42.14 H new ATOM 0 HZ3 LYS A 18 -11.203 5.016 -6.594 1.00 42.14 H new ATOM 301 N LYS A 19 -6.350 3.168 -3.518 1.00 22.24 N ATOM 302 CA LYS A 19 -6.143 1.900 -4.205 1.00 32.03 C ATOM 303 C LYS A 19 -4.916 1.241 -3.674 1.00 24.25 C ATOM 304 O LYS A 19 -3.923 1.919 -3.360 1.00 4.24 O ATOM 305 CB LYS A 19 -5.885 2.050 -5.707 1.00 53.54 C ATOM 306 CG LYS A 19 -7.010 2.510 -6.604 1.00 4.12 C ATOM 307 CD LYS A 19 -6.476 2.656 -8.038 1.00 74.15 C ATOM 308 CE LYS A 19 -5.776 1.368 -8.513 1.00 61.31 C ATOM 309 NZ LYS A 19 -5.174 1.502 -9.848 1.00 51.24 N ATOM 0 H LYS A 19 -5.486 3.576 -3.160 1.00 22.24 H new ATOM 0 HA LYS A 19 -7.059 1.333 -4.040 1.00 32.03 H new ATOM 0 HB2 LYS A 19 -5.059 2.751 -5.830 1.00 53.54 H new ATOM 0 HB3 LYS A 19 -5.542 1.085 -6.079 1.00 53.54 H new ATOM 0 HG2 LYS A 19 -7.830 1.792 -6.578 1.00 4.12 H new ATOM 0 HG3 LYS A 19 -7.408 3.461 -6.251 1.00 4.12 H new ATOM 0 HD2 LYS A 19 -7.299 2.894 -8.712 1.00 74.15 H new ATOM 0 HD3 LYS A 19 -5.776 3.490 -8.084 1.00 74.15 H new ATOM 0 HE2 LYS A 19 -5.001 1.096 -7.796 1.00 61.31 H new ATOM 0 HE3 LYS A 19 -6.498 0.552 -8.526 1.00 61.31 H new ATOM 0 HZ1 LYS A 19 -4.238 1.048 -9.854 1.00 51.24 H new ATOM 0 HZ2 LYS A 19 -5.786 1.043 -10.552 1.00 51.24 H new ATOM 0 HZ3 LYS A 19 -5.071 2.510 -10.083 1.00 51.24 H new ATOM 323 N LEU A 20 -4.958 -0.040 -3.597 1.00 35.31 N ATOM 324 CA LEU A 20 -3.824 -0.813 -3.229 1.00 4.11 C ATOM 325 C LEU A 20 -3.736 -1.927 -4.260 1.00 73.11 C ATOM 326 O LEU A 20 -4.688 -2.707 -4.421 1.00 35.01 O ATOM 327 CB LEU A 20 -4.045 -1.369 -1.795 1.00 45.31 C ATOM 328 CG LEU A 20 -2.860 -2.033 -1.045 1.00 35.11 C ATOM 329 CD1 LEU A 20 -3.289 -2.369 0.374 1.00 1.45 C ATOM 330 CD2 LEU A 20 -2.377 -3.304 -1.740 1.00 71.21 C ATOM 0 H LEU A 20 -5.794 -0.591 -3.791 1.00 35.31 H new ATOM 0 HA LEU A 20 -2.897 -0.239 -3.214 1.00 4.11 H new ATOM 0 HB2 LEU A 20 -4.404 -0.546 -1.177 1.00 45.31 H new ATOM 0 HB3 LEU A 20 -4.850 -2.102 -1.849 1.00 45.31 H new ATOM 0 HG LEU A 20 -2.032 -1.324 -1.039 1.00 35.11 H new ATOM 0 HD11 LEU A 20 -2.459 -2.836 0.904 1.00 1.45 H new ATOM 0 HD12 LEU A 20 -3.582 -1.456 0.891 1.00 1.45 H new ATOM 0 HD13 LEU A 20 -4.134 -3.057 0.345 1.00 1.45 H new ATOM 0 HD21 LEU A 20 -1.547 -3.733 -1.178 1.00 71.21 H new ATOM 0 HD22 LEU A 20 -3.193 -4.025 -1.788 1.00 71.21 H new ATOM 0 HD23 LEU A 20 -2.046 -3.063 -2.750 1.00 71.21 H new ATOM 342 N GLU A 21 -2.637 -2.001 -4.959 1.00 14.33 N ATOM 343 CA GLU A 21 -2.446 -3.031 -5.943 1.00 42.22 C ATOM 344 C GLU A 21 -1.102 -3.665 -5.761 1.00 51.45 C ATOM 345 O GLU A 21 -0.140 -2.999 -5.375 1.00 23.35 O ATOM 346 CB GLU A 21 -2.653 -2.512 -7.394 1.00 45.43 C ATOM 347 CG GLU A 21 -1.835 -1.289 -7.777 1.00 62.34 C ATOM 348 CD GLU A 21 -2.051 -0.869 -9.225 1.00 53.41 C ATOM 349 OE1 GLU A 21 -3.069 -0.203 -9.533 1.00 2.22 O ATOM 350 OE2 GLU A 21 -1.199 -1.199 -10.086 1.00 55.12 O ATOM 0 H GLU A 21 -1.854 -1.354 -4.864 1.00 14.33 H new ATOM 0 HA GLU A 21 -3.212 -3.791 -5.789 1.00 42.22 H new ATOM 0 HB2 GLU A 21 -2.414 -3.319 -8.087 1.00 45.43 H new ATOM 0 HB3 GLU A 21 -3.709 -2.278 -7.530 1.00 45.43 H new ATOM 0 HG2 GLU A 21 -2.098 -0.460 -7.119 1.00 62.34 H new ATOM 0 HG3 GLU A 21 -0.777 -1.499 -7.618 1.00 62.34 H new ATOM 357 N MET A 22 -1.030 -4.941 -5.977 1.00 12.45 N ATOM 358 CA MET A 22 0.199 -5.623 -5.845 1.00 2.41 C ATOM 359 C MET A 22 0.806 -5.947 -7.192 1.00 30.35 C ATOM 360 O MET A 22 0.244 -6.674 -8.006 1.00 1.24 O ATOM 361 CB MET A 22 0.090 -6.828 -4.866 1.00 13.13 C ATOM 362 CG MET A 22 -1.072 -7.809 -5.094 1.00 25.35 C ATOM 363 SD MET A 22 -0.924 -8.831 -6.569 1.00 53.45 S ATOM 364 CE MET A 22 -2.495 -9.679 -6.526 1.00 60.50 C ATOM 0 H MET A 22 -1.820 -5.527 -6.247 1.00 12.45 H new ATOM 0 HA MET A 22 0.916 -4.951 -5.373 1.00 2.41 H new ATOM 0 HB2 MET A 22 1.023 -7.390 -4.915 1.00 13.13 H new ATOM 0 HB3 MET A 22 0.008 -6.435 -3.853 1.00 13.13 H new ATOM 0 HG2 MET A 22 -1.153 -8.461 -4.225 1.00 25.35 H new ATOM 0 HG3 MET A 22 -2.001 -7.242 -5.155 1.00 25.35 H new ATOM 0 HE1 MET A 22 -2.566 -10.356 -7.377 1.00 60.50 H new ATOM 0 HE2 MET A 22 -2.575 -10.249 -5.601 1.00 60.50 H new ATOM 0 HE3 MET A 22 -3.304 -8.950 -6.574 1.00 60.50 H new ATOM 374 N LYS A 23 1.906 -5.322 -7.448 1.00 23.42 N ATOM 375 CA LYS A 23 2.684 -5.526 -8.636 1.00 23.31 C ATOM 376 C LYS A 23 4.103 -5.051 -8.377 1.00 71.52 C ATOM 377 O LYS A 23 4.290 -4.049 -7.700 1.00 54.12 O ATOM 378 CB LYS A 23 1.982 -4.931 -9.915 1.00 12.14 C ATOM 379 CG LYS A 23 1.578 -3.441 -9.904 1.00 34.20 C ATOM 380 CD LYS A 23 2.744 -2.513 -10.178 1.00 74.31 C ATOM 381 CE LYS A 23 2.303 -1.043 -10.251 1.00 73.52 C ATOM 382 NZ LYS A 23 1.203 -0.819 -11.222 1.00 75.11 N ATOM 0 H LYS A 23 2.307 -4.629 -6.816 1.00 23.42 H new ATOM 0 HA LYS A 23 2.752 -6.587 -8.874 1.00 23.31 H new ATOM 0 HB2 LYS A 23 2.649 -5.088 -10.763 1.00 12.14 H new ATOM 0 HB3 LYS A 23 1.083 -5.518 -10.103 1.00 12.14 H new ATOM 0 HG2 LYS A 23 0.803 -3.274 -10.652 1.00 34.20 H new ATOM 0 HG3 LYS A 23 1.144 -3.194 -8.935 1.00 34.20 H new ATOM 0 HD2 LYS A 23 3.492 -2.629 -9.394 1.00 74.31 H new ATOM 0 HD3 LYS A 23 3.220 -2.796 -11.117 1.00 74.31 H new ATOM 0 HE2 LYS A 23 1.981 -0.716 -9.262 1.00 73.52 H new ATOM 0 HE3 LYS A 23 3.157 -0.426 -10.528 1.00 73.52 H new ATOM 0 HZ1 LYS A 23 1.275 0.142 -11.613 1.00 75.11 H new ATOM 0 HZ2 LYS A 23 1.274 -1.513 -11.993 1.00 75.11 H new ATOM 0 HZ3 LYS A 23 0.288 -0.929 -10.741 1.00 75.11 H new ATOM 396 N PRO A 24 5.123 -5.778 -8.849 1.00 2.30 N ATOM 397 CA PRO A 24 6.508 -5.451 -8.552 1.00 3.40 C ATOM 398 C PRO A 24 6.941 -4.163 -9.211 1.00 53.15 C ATOM 399 O PRO A 24 6.390 -3.760 -10.250 1.00 44.44 O ATOM 400 CB PRO A 24 7.291 -6.643 -9.116 1.00 52.41 C ATOM 401 CG PRO A 24 6.428 -7.158 -10.207 1.00 2.13 C ATOM 402 CD PRO A 24 5.018 -6.942 -9.740 1.00 42.11 C ATOM 0 HA PRO A 24 6.672 -5.293 -7.486 1.00 3.40 H new ATOM 0 HB2 PRO A 24 8.268 -6.337 -9.491 1.00 52.41 H new ATOM 0 HB3 PRO A 24 7.466 -7.402 -8.354 1.00 52.41 H new ATOM 0 HG2 PRO A 24 6.618 -6.628 -11.140 1.00 2.13 H new ATOM 0 HG3 PRO A 24 6.622 -8.214 -10.395 1.00 2.13 H new ATOM 0 HD2 PRO A 24 4.344 -6.748 -10.575 1.00 42.11 H new ATOM 0 HD3 PRO A 24 4.631 -7.815 -9.215 1.00 42.11 H new ATOM 410 N LYS A 25 7.907 -3.506 -8.605 1.00 70.35 N ATOM 411 CA LYS A 25 8.437 -2.283 -9.147 1.00 74.14 C ATOM 412 C LYS A 25 9.086 -2.599 -10.485 1.00 44.23 C ATOM 413 O LYS A 25 8.819 -1.949 -11.492 1.00 72.43 O ATOM 414 CB LYS A 25 9.441 -1.658 -8.162 1.00 10.13 C ATOM 415 CG LYS A 25 10.061 -0.360 -8.610 1.00 2.41 C ATOM 416 CD LYS A 25 9.021 0.720 -8.696 1.00 43.42 C ATOM 417 CE LYS A 25 9.612 2.032 -9.221 1.00 24.53 C ATOM 418 NZ LYS A 25 10.649 2.581 -8.312 1.00 1.31 N ATOM 0 H LYS A 25 8.340 -3.805 -7.731 1.00 70.35 H new ATOM 0 HA LYS A 25 7.641 -1.554 -9.300 1.00 74.14 H new ATOM 0 HB2 LYS A 25 8.935 -1.491 -7.211 1.00 10.13 H new ATOM 0 HB3 LYS A 25 10.239 -2.377 -7.977 1.00 10.13 H new ATOM 0 HG2 LYS A 25 10.843 -0.064 -7.911 1.00 2.41 H new ATOM 0 HG3 LYS A 25 10.536 -0.494 -9.582 1.00 2.41 H new ATOM 0 HD2 LYS A 25 8.213 0.396 -9.352 1.00 43.42 H new ATOM 0 HD3 LYS A 25 8.585 0.885 -7.711 1.00 43.42 H new ATOM 0 HE2 LYS A 25 10.046 1.865 -10.207 1.00 24.53 H new ATOM 0 HE3 LYS A 25 8.814 2.765 -9.345 1.00 24.53 H new ATOM 0 HZ1 LYS A 25 10.537 3.613 -8.241 1.00 1.31 H new ATOM 0 HZ2 LYS A 25 10.544 2.156 -7.369 1.00 1.31 H new ATOM 0 HZ3 LYS A 25 11.593 2.360 -8.689 1.00 1.31 H new ATOM 432 N TYR A 26 9.903 -3.627 -10.498 1.00 12.03 N ATOM 433 CA TYR A 26 10.513 -4.106 -11.707 1.00 63.04 C ATOM 434 C TYR A 26 10.355 -5.606 -11.682 1.00 14.20 C ATOM 435 O TYR A 26 10.223 -6.177 -10.601 1.00 1.10 O ATOM 436 CB TYR A 26 12.019 -3.760 -11.751 1.00 1.31 C ATOM 437 CG TYR A 26 12.341 -2.350 -11.358 1.00 42.52 C ATOM 438 CD1 TYR A 26 11.959 -1.273 -12.145 1.00 21.01 C ATOM 439 CD2 TYR A 26 13.011 -2.100 -10.173 1.00 62.31 C ATOM 440 CE1 TYR A 26 12.241 0.019 -11.762 1.00 15.21 C ATOM 441 CE2 TYR A 26 13.295 -0.811 -9.779 1.00 33.44 C ATOM 442 CZ TYR A 26 12.907 0.248 -10.580 1.00 43.43 C ATOM 443 OH TYR A 26 13.182 1.536 -10.189 1.00 62.23 O ATOM 0 H TYR A 26 10.161 -4.154 -9.664 1.00 12.03 H new ATOM 0 HA TYR A 26 10.046 -3.647 -12.578 1.00 63.04 H new ATOM 0 HB2 TYR A 26 12.555 -4.440 -11.090 1.00 1.31 H new ATOM 0 HB3 TYR A 26 12.391 -3.937 -12.760 1.00 1.31 H new ATOM 0 HD1 TYR A 26 11.433 -1.451 -13.071 1.00 21.01 H new ATOM 0 HD2 TYR A 26 13.315 -2.927 -9.549 1.00 62.31 H new ATOM 0 HE1 TYR A 26 11.941 0.848 -12.386 1.00 15.21 H new ATOM 0 HE2 TYR A 26 13.817 -0.628 -8.851 1.00 33.44 H new ATOM 0 HH TYR A 26 13.656 1.523 -9.331 1.00 62.23 H new ATOM 453 N PRO A 27 10.335 -6.279 -12.835 1.00 23.43 N ATOM 454 CA PRO A 27 10.248 -7.753 -12.887 1.00 34.33 C ATOM 455 C PRO A 27 11.378 -8.450 -12.088 1.00 55.51 C ATOM 456 O PRO A 27 11.236 -9.600 -11.665 1.00 22.13 O ATOM 457 CB PRO A 27 10.386 -8.056 -14.373 1.00 3.53 C ATOM 458 CG PRO A 27 9.898 -6.828 -15.056 1.00 34.01 C ATOM 459 CD PRO A 27 10.332 -5.682 -14.191 1.00 73.24 C ATOM 0 HA PRO A 27 9.324 -8.120 -12.440 1.00 34.33 H new ATOM 0 HB2 PRO A 27 11.421 -8.272 -14.639 1.00 3.53 H new ATOM 0 HB3 PRO A 27 9.796 -8.928 -14.656 1.00 3.53 H new ATOM 0 HG2 PRO A 27 10.319 -6.744 -16.058 1.00 34.01 H new ATOM 0 HG3 PRO A 27 8.814 -6.846 -15.167 1.00 34.01 H new ATOM 0 HD2 PRO A 27 11.318 -5.313 -14.473 1.00 73.24 H new ATOM 0 HD3 PRO A 27 9.644 -4.839 -14.261 1.00 73.24 H new ATOM 467 N HIS A 28 12.485 -7.737 -11.864 1.00 34.54 N ATOM 468 CA HIS A 28 13.623 -8.278 -11.108 1.00 21.44 C ATOM 469 C HIS A 28 13.427 -8.216 -9.586 1.00 14.12 C ATOM 470 O HIS A 28 14.372 -8.424 -8.837 1.00 22.42 O ATOM 471 CB HIS A 28 14.979 -7.618 -11.508 1.00 3.45 C ATOM 472 CG HIS A 28 15.105 -6.107 -11.340 1.00 61.24 C ATOM 473 ND1 HIS A 28 14.906 -5.266 -10.272 1.00 50.40 N flip ATOM 474 CD2 HIS A 28 15.575 -5.301 -12.343 1.00 40.33 C flip ATOM 475 CE1 HIS A 28 15.270 -4.022 -10.673 1.00 24.22 C flip ATOM 476 NE2 HIS A 28 15.661 -4.067 -11.917 1.00 73.12 N flip ATOM 0 H HIS A 28 12.620 -6.782 -12.195 1.00 34.54 H new ATOM 0 HA HIS A 28 13.665 -9.331 -11.387 1.00 21.44 H new ATOM 0 HB2 HIS A 28 15.768 -8.088 -10.921 1.00 3.45 H new ATOM 0 HB3 HIS A 28 15.174 -7.857 -12.553 1.00 3.45 H new ATOM 0 HD1 HIS A 28 14.552 -5.527 -9.352 1.00 50.40 H new ATOM 0 HD2 HIS A 28 15.836 -5.634 -13.337 1.00 40.33 H new ATOM 0 HE1 HIS A 28 15.241 -3.134 -10.059 1.00 24.22 H new ATOM 485 N CYS A 29 12.215 -8.010 -9.138 1.00 33.03 N ATOM 486 CA CYS A 29 11.974 -7.907 -7.724 1.00 34.15 C ATOM 487 C CYS A 29 11.248 -9.152 -7.241 1.00 42.44 C ATOM 488 O CYS A 29 10.505 -9.791 -8.007 1.00 4.41 O ATOM 489 CB CYS A 29 11.104 -6.682 -7.462 1.00 21.24 C ATOM 490 SG CYS A 29 11.798 -5.094 -8.061 1.00 31.30 S ATOM 0 H CYS A 29 11.388 -7.911 -9.726 1.00 33.03 H new ATOM 0 HA CYS A 29 12.921 -7.813 -7.193 1.00 34.15 H new ATOM 0 HB2 CYS A 29 10.133 -6.837 -7.933 1.00 21.24 H new ATOM 0 HB3 CYS A 29 10.929 -6.603 -6.389 1.00 21.24 H new ATOM 495 N GLU A 30 11.480 -9.509 -5.990 1.00 33.32 N ATOM 496 CA GLU A 30 10.880 -10.681 -5.414 1.00 1.04 C ATOM 497 C GLU A 30 9.526 -10.347 -4.821 1.00 32.32 C ATOM 498 O GLU A 30 9.418 -9.392 -4.014 1.00 2.33 O ATOM 499 CB GLU A 30 11.798 -11.251 -4.352 1.00 13.32 C ATOM 500 CG GLU A 30 13.182 -11.548 -4.858 1.00 23.14 C ATOM 501 CD GLU A 30 13.202 -12.543 -5.988 1.00 64.11 C ATOM 502 OE1 GLU A 30 13.236 -13.761 -5.717 1.00 60.13 O ATOM 503 OE2 GLU A 30 13.189 -12.125 -7.167 1.00 0.22 O ATOM 0 H GLU A 30 12.088 -8.992 -5.354 1.00 33.32 H new ATOM 0 HA GLU A 30 10.733 -11.427 -6.195 1.00 1.04 H new ATOM 0 HB2 GLU A 30 11.865 -10.546 -3.524 1.00 13.32 H new ATOM 0 HB3 GLU A 30 11.359 -12.167 -3.956 1.00 13.32 H new ATOM 0 HG2 GLU A 30 13.646 -10.620 -5.192 1.00 23.14 H new ATOM 0 HG3 GLU A 30 13.788 -11.930 -4.036 1.00 23.14 H new ATOM 510 N GLU A 31 8.526 -11.160 -5.159 1.00 31.12 N ATOM 511 CA GLU A 31 7.140 -10.981 -4.732 1.00 22.20 C ATOM 512 C GLU A 31 6.542 -9.727 -5.417 1.00 4.12 C ATOM 513 O GLU A 31 7.228 -9.038 -6.185 1.00 50.43 O ATOM 514 CB GLU A 31 7.039 -10.940 -3.172 1.00 42.44 C ATOM 515 CG GLU A 31 5.636 -10.873 -2.595 1.00 71.13 C ATOM 516 CD GLU A 31 4.775 -11.998 -3.083 1.00 3.42 C ATOM 517 OE1 GLU A 31 4.890 -13.119 -2.552 1.00 14.52 O ATOM 518 OE2 GLU A 31 3.976 -11.773 -4.020 1.00 34.11 O ATOM 0 H GLU A 31 8.661 -11.980 -5.751 1.00 31.12 H new ATOM 0 HA GLU A 31 6.543 -11.837 -5.048 1.00 22.20 H new ATOM 0 HB2 GLU A 31 7.532 -11.826 -2.773 1.00 42.44 H new ATOM 0 HB3 GLU A 31 7.599 -10.076 -2.815 1.00 42.44 H new ATOM 0 HG2 GLU A 31 5.690 -10.903 -1.507 1.00 71.13 H new ATOM 0 HG3 GLU A 31 5.178 -9.922 -2.865 1.00 71.13 H new ATOM 525 N LYS A 32 5.288 -9.479 -5.212 1.00 23.31 N ATOM 526 CA LYS A 32 4.651 -8.317 -5.754 1.00 3.23 C ATOM 527 C LYS A 32 4.780 -7.176 -4.772 1.00 71.31 C ATOM 528 O LYS A 32 4.551 -7.354 -3.571 1.00 22.32 O ATOM 529 CB LYS A 32 3.182 -8.614 -6.029 1.00 4.22 C ATOM 530 CG LYS A 32 2.972 -9.827 -6.910 1.00 62.14 C ATOM 531 CD LYS A 32 3.606 -9.650 -8.270 1.00 15.01 C ATOM 532 CE LYS A 32 3.483 -10.894 -9.134 1.00 45.42 C ATOM 533 NZ LYS A 32 4.205 -12.050 -8.558 1.00 43.12 N ATOM 0 H LYS A 32 4.672 -10.078 -4.662 1.00 23.31 H new ATOM 0 HA LYS A 32 5.131 -8.039 -6.692 1.00 3.23 H new ATOM 0 HB2 LYS A 32 2.666 -8.768 -5.081 1.00 4.22 H new ATOM 0 HB3 LYS A 32 2.725 -7.745 -6.503 1.00 4.22 H new ATOM 0 HG2 LYS A 32 3.394 -10.707 -6.424 1.00 62.14 H new ATOM 0 HG3 LYS A 32 1.904 -10.010 -7.028 1.00 62.14 H new ATOM 0 HD2 LYS A 32 3.136 -8.809 -8.780 1.00 15.01 H new ATOM 0 HD3 LYS A 32 4.660 -9.400 -8.147 1.00 15.01 H new ATOM 0 HE2 LYS A 32 2.430 -11.149 -9.253 1.00 45.42 H new ATOM 0 HE3 LYS A 32 3.874 -10.683 -10.129 1.00 45.42 H new ATOM 0 HZ1 LYS A 32 4.282 -12.802 -9.272 1.00 43.12 H new ATOM 0 HZ2 LYS A 32 5.157 -11.753 -8.264 1.00 43.12 H new ATOM 0 HZ3 LYS A 32 3.684 -12.409 -7.732 1.00 43.12 H new ATOM 547 N MET A 33 5.163 -6.025 -5.263 1.00 52.20 N ATOM 548 CA MET A 33 5.287 -4.844 -4.409 1.00 22.33 C ATOM 549 C MET A 33 3.938 -4.323 -4.038 1.00 24.32 C ATOM 550 O MET A 33 2.933 -4.611 -4.695 1.00 13.25 O ATOM 551 CB MET A 33 6.098 -3.686 -5.041 1.00 22.30 C ATOM 552 CG MET A 33 7.647 -3.716 -4.980 1.00 25.42 C ATOM 553 SD MET A 33 8.485 -5.103 -5.797 1.00 60.52 S ATOM 554 CE MET A 33 8.247 -6.443 -4.637 1.00 2.14 C ATOM 0 H MET A 33 5.396 -5.868 -6.244 1.00 52.20 H new ATOM 0 HA MET A 33 5.836 -5.186 -3.531 1.00 22.33 H new ATOM 0 HB2 MET A 33 5.814 -3.624 -6.091 1.00 22.30 H new ATOM 0 HB3 MET A 33 5.770 -2.761 -4.567 1.00 22.30 H new ATOM 0 HG2 MET A 33 8.020 -2.791 -5.419 1.00 25.42 H new ATOM 0 HG3 MET A 33 7.943 -3.713 -3.931 1.00 25.42 H new ATOM 0 HE1 MET A 33 9.189 -6.973 -4.495 1.00 2.14 H new ATOM 0 HE2 MET A 33 7.909 -6.042 -3.682 1.00 2.14 H new ATOM 0 HE3 MET A 33 7.498 -7.132 -5.026 1.00 2.14 H new ATOM 564 N VAL A 34 3.917 -3.559 -3.006 1.00 43.31 N ATOM 565 CA VAL A 34 2.724 -2.949 -2.544 1.00 31.11 C ATOM 566 C VAL A 34 2.666 -1.558 -3.110 1.00 53.03 C ATOM 567 O VAL A 34 3.473 -0.688 -2.755 1.00 71.00 O ATOM 568 CB VAL A 34 2.689 -2.902 -1.012 1.00 4.54 C ATOM 569 CG1 VAL A 34 1.457 -2.163 -0.524 1.00 72.33 C ATOM 570 CG2 VAL A 34 2.722 -4.318 -0.452 1.00 11.22 C ATOM 0 H VAL A 34 4.742 -3.337 -2.450 1.00 43.31 H new ATOM 0 HA VAL A 34 1.862 -3.530 -2.872 1.00 31.11 H new ATOM 0 HB VAL A 34 3.566 -2.361 -0.658 1.00 4.54 H new ATOM 0 HG11 VAL A 34 1.453 -2.142 0.566 1.00 72.33 H new ATOM 0 HG12 VAL A 34 1.470 -1.142 -0.907 1.00 72.33 H new ATOM 0 HG13 VAL A 34 0.562 -2.673 -0.880 1.00 72.33 H new ATOM 0 HG21 VAL A 34 2.697 -4.279 0.637 1.00 11.22 H new ATOM 0 HG22 VAL A 34 1.857 -4.873 -0.815 1.00 11.22 H new ATOM 0 HG23 VAL A 34 3.636 -4.816 -0.776 1.00 11.22 H new ATOM 580 N ILE A 35 1.758 -1.363 -4.002 1.00 3.21 N ATOM 581 CA ILE A 35 1.621 -0.120 -4.677 1.00 43.22 C ATOM 582 C ILE A 35 0.435 0.601 -4.105 1.00 74.32 C ATOM 583 O ILE A 35 -0.713 0.137 -4.225 1.00 62.44 O ATOM 584 CB ILE A 35 1.398 -0.361 -6.171 1.00 25.30 C ATOM 585 CG1 ILE A 35 2.461 -1.331 -6.714 1.00 31.25 C ATOM 586 CG2 ILE A 35 1.426 0.955 -6.930 1.00 72.44 C ATOM 587 CD1 ILE A 35 3.900 -0.822 -6.646 1.00 62.21 C ATOM 0 H ILE A 35 1.081 -2.071 -4.287 1.00 3.21 H new ATOM 0 HA ILE A 35 2.525 0.475 -4.547 1.00 43.22 H new ATOM 0 HB ILE A 35 0.416 -0.812 -6.314 1.00 25.30 H new ATOM 0 HG12 ILE A 35 2.396 -2.265 -6.156 1.00 31.25 H new ATOM 0 HG13 ILE A 35 2.223 -1.562 -7.752 1.00 31.25 H new ATOM 0 HG21 ILE A 35 1.266 0.766 -7.992 1.00 72.44 H new ATOM 0 HG22 ILE A 35 0.638 1.608 -6.555 1.00 72.44 H new ATOM 0 HG23 ILE A 35 2.394 1.436 -6.789 1.00 72.44 H new ATOM 0 HD11 ILE A 35 4.573 -1.577 -7.052 1.00 62.21 H new ATOM 0 HD12 ILE A 35 3.990 0.095 -7.229 1.00 62.21 H new ATOM 0 HD13 ILE A 35 4.166 -0.620 -5.608 1.00 62.21 H new ATOM 599 N ILE A 36 0.688 1.697 -3.472 1.00 0.11 N ATOM 600 CA ILE A 36 -0.347 2.426 -2.812 1.00 70.53 C ATOM 601 C ILE A 36 -0.662 3.710 -3.500 1.00 73.51 C ATOM 602 O ILE A 36 0.161 4.605 -3.588 1.00 14.24 O ATOM 603 CB ILE A 36 -0.003 2.670 -1.348 1.00 33.04 C ATOM 604 CG1 ILE A 36 0.074 1.332 -0.640 1.00 12.45 C ATOM 605 CG2 ILE A 36 -1.018 3.597 -0.675 1.00 54.23 C ATOM 606 CD1 ILE A 36 0.372 1.444 0.801 1.00 22.12 C ATOM 0 H ILE A 36 1.616 2.114 -3.396 1.00 0.11 H new ATOM 0 HA ILE A 36 -1.243 1.807 -2.857 1.00 70.53 H new ATOM 0 HB ILE A 36 0.962 3.173 -1.286 1.00 33.04 H new ATOM 0 HG12 ILE A 36 -0.873 0.808 -0.767 1.00 12.45 H new ATOM 0 HG13 ILE A 36 0.842 0.722 -1.115 1.00 12.45 H new ATOM 0 HG21 ILE A 36 -0.738 3.747 0.368 1.00 54.23 H new ATOM 0 HG22 ILE A 36 -1.030 4.558 -1.189 1.00 54.23 H new ATOM 0 HG23 ILE A 36 -2.010 3.147 -0.724 1.00 54.23 H new ATOM 0 HD11 ILE A 36 0.412 0.448 1.243 1.00 22.12 H new ATOM 0 HD12 ILE A 36 1.333 1.940 0.936 1.00 22.12 H new ATOM 0 HD13 ILE A 36 -0.409 2.027 1.290 1.00 22.12 H new ATOM 618 N THR A 37 -1.861 3.806 -3.930 1.00 52.55 N ATOM 619 CA THR A 37 -2.334 4.965 -4.629 1.00 41.32 C ATOM 620 C THR A 37 -3.027 5.840 -3.612 1.00 51.02 C ATOM 621 O THR A 37 -3.834 5.343 -2.818 1.00 42.12 O ATOM 622 CB THR A 37 -3.344 4.544 -5.690 1.00 22.23 C ATOM 623 OG1 THR A 37 -2.764 3.499 -6.491 1.00 52.23 O ATOM 624 CG2 THR A 37 -3.720 5.719 -6.584 1.00 14.50 C ATOM 0 H THR A 37 -2.564 3.076 -3.811 1.00 52.55 H new ATOM 0 HA THR A 37 -1.510 5.490 -5.113 1.00 41.32 H new ATOM 0 HB THR A 37 -4.249 4.189 -5.196 1.00 22.23 H new ATOM 0 HG1 THR A 37 -3.405 3.218 -7.177 1.00 52.23 H new ATOM 0 HG21 THR A 37 -4.442 5.391 -7.332 1.00 14.50 H new ATOM 0 HG22 THR A 37 -4.160 6.511 -5.978 1.00 14.50 H new ATOM 0 HG23 THR A 37 -2.827 6.097 -7.083 1.00 14.50 H new ATOM 632 N THR A 38 -2.723 7.105 -3.605 1.00 45.11 N ATOM 633 CA THR A 38 -3.286 7.951 -2.604 1.00 63.02 C ATOM 634 C THR A 38 -4.572 8.605 -3.078 1.00 42.32 C ATOM 635 O THR A 38 -4.807 8.734 -4.274 1.00 34.10 O ATOM 636 CB THR A 38 -2.258 9.002 -2.192 1.00 21.55 C ATOM 637 OG1 THR A 38 -1.746 9.668 -3.364 1.00 21.14 O ATOM 638 CG2 THR A 38 -1.113 8.343 -1.472 1.00 21.41 C ATOM 0 H THR A 38 -2.100 7.564 -4.269 1.00 45.11 H new ATOM 0 HA THR A 38 -3.543 7.340 -1.739 1.00 63.02 H new ATOM 0 HB THR A 38 -2.740 9.725 -1.534 1.00 21.55 H new ATOM 0 HG1 THR A 38 -1.030 9.129 -3.760 1.00 21.14 H new ATOM 0 HG21 THR A 38 -0.383 9.098 -1.181 1.00 21.41 H new ATOM 0 HG22 THR A 38 -1.486 7.837 -0.582 1.00 21.41 H new ATOM 0 HG23 THR A 38 -0.639 7.616 -2.131 1.00 21.41 H new ATOM 646 N LYS A 39 -5.393 9.004 -2.124 1.00 45.15 N ATOM 647 CA LYS A 39 -6.666 9.633 -2.419 1.00 41.24 C ATOM 648 C LYS A 39 -6.506 11.109 -2.804 1.00 74.53 C ATOM 649 O LYS A 39 -6.992 11.530 -3.839 1.00 53.33 O ATOM 650 CB LYS A 39 -7.569 9.486 -1.194 1.00 54.35 C ATOM 651 CG LYS A 39 -8.977 10.021 -1.353 1.00 51.22 C ATOM 652 CD LYS A 39 -9.746 9.843 -0.061 1.00 12.13 C ATOM 653 CE LYS A 39 -11.168 10.361 -0.161 1.00 52.44 C ATOM 654 NZ LYS A 39 -11.883 10.229 1.130 1.00 10.53 N ATOM 0 H LYS A 39 -5.197 8.902 -1.128 1.00 45.15 H new ATOM 0 HA LYS A 39 -7.114 9.138 -3.281 1.00 41.24 H new ATOM 0 HB2 LYS A 39 -7.628 8.429 -0.933 1.00 54.35 H new ATOM 0 HB3 LYS A 39 -7.098 9.996 -0.354 1.00 54.35 H new ATOM 0 HG2 LYS A 39 -8.946 11.076 -1.625 1.00 51.22 H new ATOM 0 HG3 LYS A 39 -9.485 9.498 -2.163 1.00 51.22 H new ATOM 0 HD2 LYS A 39 -9.765 8.786 0.205 1.00 12.13 H new ATOM 0 HD3 LYS A 39 -9.227 10.365 0.743 1.00 12.13 H new ATOM 0 HE2 LYS A 39 -11.155 11.407 -0.466 1.00 52.44 H new ATOM 0 HE3 LYS A 39 -11.704 9.810 -0.934 1.00 52.44 H new ATOM 0 HZ1 LYS A 39 -12.852 10.592 1.029 1.00 10.53 H new ATOM 0 HZ2 LYS A 39 -11.916 9.227 1.408 1.00 10.53 H new ATOM 0 HZ3 LYS A 39 -11.384 10.775 1.861 1.00 10.53 H new ATOM 668 N SER A 40 -5.756 11.853 -1.976 1.00 55.22 N ATOM 669 CA SER A 40 -5.538 13.311 -2.138 1.00 2.03 C ATOM 670 C SER A 40 -4.996 13.849 -0.809 1.00 75.25 C ATOM 671 O SER A 40 -4.220 14.800 -0.767 1.00 41.43 O ATOM 672 CB SER A 40 -6.876 14.036 -2.464 1.00 24.24 C ATOM 673 OG SER A 40 -6.691 15.410 -2.786 1.00 13.53 O ATOM 0 H SER A 40 -5.276 11.462 -1.165 1.00 55.22 H new ATOM 0 HA SER A 40 -4.841 13.489 -2.957 1.00 2.03 H new ATOM 0 HB2 SER A 40 -7.363 13.533 -3.300 1.00 24.24 H new ATOM 0 HB3 SER A 40 -7.547 13.954 -1.609 1.00 24.24 H new ATOM 0 HG SER A 40 -7.559 15.819 -2.984 1.00 13.53 H new ATOM 679 N VAL A 41 -5.422 13.194 0.273 1.00 52.21 N ATOM 680 CA VAL A 41 -5.039 13.536 1.652 1.00 54.51 C ATOM 681 C VAL A 41 -3.510 13.320 1.922 1.00 33.45 C ATOM 682 O VAL A 41 -2.947 13.828 2.901 1.00 62.41 O ATOM 683 CB VAL A 41 -5.929 12.733 2.663 1.00 50.34 C ATOM 684 CG1 VAL A 41 -5.770 11.238 2.478 1.00 34.23 C ATOM 685 CG2 VAL A 41 -5.677 13.135 4.104 1.00 71.41 C ATOM 0 H VAL A 41 -6.055 12.396 0.219 1.00 52.21 H new ATOM 0 HA VAL A 41 -5.217 14.601 1.797 1.00 54.51 H new ATOM 0 HB VAL A 41 -6.963 12.992 2.437 1.00 50.34 H new ATOM 0 HG11 VAL A 41 -6.401 10.713 3.195 1.00 34.23 H new ATOM 0 HG12 VAL A 41 -6.066 10.963 1.465 1.00 34.23 H new ATOM 0 HG13 VAL A 41 -4.729 10.960 2.640 1.00 34.23 H new ATOM 0 HG21 VAL A 41 -6.318 12.549 4.763 1.00 71.41 H new ATOM 0 HG22 VAL A 41 -4.633 12.950 4.356 1.00 71.41 H new ATOM 0 HG23 VAL A 41 -5.899 14.195 4.230 1.00 71.41 H new ATOM 695 N SER A 42 -2.864 12.576 1.052 1.00 61.04 N ATOM 696 CA SER A 42 -1.435 12.358 1.137 1.00 50.43 C ATOM 697 C SER A 42 -0.772 13.259 0.099 1.00 52.13 C ATOM 698 O SER A 42 -1.376 13.525 -0.941 1.00 23.13 O ATOM 699 CB SER A 42 -1.118 10.880 0.865 1.00 3.32 C ATOM 700 OG SER A 42 0.285 10.598 0.936 1.00 23.13 O ATOM 0 H SER A 42 -3.313 12.105 0.266 1.00 61.04 H new ATOM 0 HA SER A 42 -1.059 12.598 2.132 1.00 50.43 H new ATOM 0 HB2 SER A 42 -1.647 10.259 1.588 1.00 3.32 H new ATOM 0 HB3 SER A 42 -1.491 10.607 -0.122 1.00 3.32 H new ATOM 0 HG SER A 42 0.434 9.824 1.518 1.00 23.13 H new ATOM 706 N ARG A 43 0.467 13.699 0.365 1.00 30.32 N ATOM 707 CA ARG A 43 1.185 14.664 -0.505 1.00 65.31 C ATOM 708 C ARG A 43 1.351 14.165 -1.957 1.00 63.53 C ATOM 709 O ARG A 43 1.537 14.961 -2.884 1.00 62.23 O ATOM 710 CB ARG A 43 2.545 15.033 0.097 1.00 13.35 C ATOM 711 CG ARG A 43 3.291 16.089 -0.696 1.00 20.53 C ATOM 712 CD ARG A 43 4.623 16.435 -0.077 1.00 22.30 C ATOM 713 NE ARG A 43 5.320 17.439 -0.875 1.00 35.51 N ATOM 714 CZ ARG A 43 6.414 18.098 -0.499 1.00 1.23 C ATOM 715 NH1 ARG A 43 6.958 17.878 0.696 1.00 65.03 N ATOM 716 NH2 ARG A 43 6.956 18.988 -1.319 1.00 75.41 N ATOM 0 H ARG A 43 1.003 13.403 1.181 1.00 30.32 H new ATOM 0 HA ARG A 43 0.562 15.557 -0.552 1.00 65.31 H new ATOM 0 HB2 ARG A 43 2.397 15.392 1.116 1.00 13.35 H new ATOM 0 HB3 ARG A 43 3.161 14.136 0.161 1.00 13.35 H new ATOM 0 HG2 ARG A 43 3.448 15.733 -1.714 1.00 20.53 H new ATOM 0 HG3 ARG A 43 2.680 16.989 -0.764 1.00 20.53 H new ATOM 0 HD2 ARG A 43 4.472 16.809 0.936 1.00 22.30 H new ATOM 0 HD3 ARG A 43 5.236 15.537 0.003 1.00 22.30 H new ATOM 0 HE ARG A 43 4.938 17.653 -1.796 1.00 35.51 H new ATOM 0 HH11 ARG A 43 6.537 17.200 1.331 1.00 65.03 H new ATOM 0 HH12 ARG A 43 7.796 18.387 0.976 1.00 65.03 H new ATOM 0 HH21 ARG A 43 6.535 19.164 -2.231 1.00 75.41 H new ATOM 0 HH22 ARG A 43 7.794 19.497 -1.038 1.00 75.41 H new ATOM 730 N TYR A 44 1.238 12.869 -2.150 1.00 71.11 N ATOM 731 CA TYR A 44 1.342 12.290 -3.478 1.00 32.35 C ATOM 732 C TYR A 44 0.140 12.644 -4.334 1.00 21.44 C ATOM 733 O TYR A 44 0.271 12.824 -5.533 1.00 65.10 O ATOM 734 CB TYR A 44 1.551 10.780 -3.396 1.00 52.42 C ATOM 735 CG TYR A 44 3.000 10.376 -3.269 1.00 5.22 C ATOM 736 CD1 TYR A 44 3.830 10.930 -2.305 1.00 41.24 C ATOM 737 CD2 TYR A 44 3.545 9.457 -4.146 1.00 44.10 C ATOM 738 CE1 TYR A 44 5.163 10.564 -2.222 1.00 41.33 C ATOM 739 CE2 TYR A 44 4.867 9.091 -4.073 1.00 2.13 C ATOM 740 CZ TYR A 44 5.672 9.644 -3.112 1.00 14.02 C ATOM 741 OH TYR A 44 6.993 9.271 -3.040 1.00 73.44 O ATOM 0 H TYR A 44 1.074 12.192 -1.405 1.00 71.11 H new ATOM 0 HA TYR A 44 2.217 12.720 -3.965 1.00 32.35 H new ATOM 0 HB2 TYR A 44 0.998 10.391 -2.541 1.00 52.42 H new ATOM 0 HB3 TYR A 44 1.130 10.314 -4.287 1.00 52.42 H new ATOM 0 HD1 TYR A 44 3.432 11.655 -1.611 1.00 41.24 H new ATOM 0 HD2 TYR A 44 2.917 9.017 -4.906 1.00 44.10 H new ATOM 0 HE1 TYR A 44 5.799 10.997 -1.464 1.00 41.33 H new ATOM 0 HE2 TYR A 44 5.270 8.371 -4.770 1.00 2.13 H new ATOM 0 HH TYR A 44 7.186 8.613 -3.741 1.00 73.44 H new ATOM 751 N ARG A 45 -1.009 12.775 -3.690 1.00 44.14 N ATOM 752 CA ARG A 45 -2.264 13.209 -4.329 1.00 54.34 C ATOM 753 C ARG A 45 -2.585 12.445 -5.620 1.00 54.31 C ATOM 754 O ARG A 45 -2.672 13.034 -6.694 1.00 53.20 O ATOM 755 CB ARG A 45 -2.226 14.716 -4.606 1.00 3.42 C ATOM 756 CG ARG A 45 -1.977 15.559 -3.376 1.00 73.14 C ATOM 757 CD ARG A 45 -1.861 17.015 -3.735 1.00 54.25 C ATOM 758 NE ARG A 45 -1.568 17.844 -2.569 1.00 12.45 N ATOM 759 CZ ARG A 45 -1.405 19.162 -2.606 1.00 23.24 C ATOM 760 NH1 ARG A 45 -1.510 19.810 -3.762 1.00 13.24 N ATOM 761 NH2 ARG A 45 -1.138 19.827 -1.493 1.00 2.13 N ATOM 0 H ARG A 45 -1.109 12.582 -2.693 1.00 44.14 H new ATOM 0 HA ARG A 45 -3.063 12.981 -3.624 1.00 54.34 H new ATOM 0 HB2 ARG A 45 -1.446 14.921 -5.339 1.00 3.42 H new ATOM 0 HB3 ARG A 45 -3.172 15.017 -5.055 1.00 3.42 H new ATOM 0 HG2 ARG A 45 -2.791 15.420 -2.665 1.00 73.14 H new ATOM 0 HG3 ARG A 45 -1.063 15.228 -2.883 1.00 73.14 H new ATOM 0 HD2 ARG A 45 -1.074 17.144 -4.478 1.00 54.25 H new ATOM 0 HD3 ARG A 45 -2.791 17.351 -4.194 1.00 54.25 H new ATOM 0 HE ARG A 45 -1.483 17.380 -1.665 1.00 12.45 H new ATOM 0 HH11 ARG A 45 -1.715 19.295 -4.618 1.00 13.24 H new ATOM 0 HH12 ARG A 45 -1.385 20.822 -3.793 1.00 13.24 H new ATOM 0 HH21 ARG A 45 -1.057 19.328 -0.607 1.00 2.13 H new ATOM 0 HH22 ARG A 45 -1.013 20.839 -1.521 1.00 2.13 H new ATOM 775 N GLY A 46 -2.735 11.157 -5.515 1.00 71.23 N ATOM 776 CA GLY A 46 -3.069 10.359 -6.673 1.00 41.53 C ATOM 777 C GLY A 46 -1.856 9.679 -7.270 1.00 65.13 C ATOM 778 O GLY A 46 -1.962 8.982 -8.272 1.00 31.32 O ATOM 0 H GLY A 46 -2.633 10.632 -4.646 1.00 71.23 H new ATOM 0 HA2 GLY A 46 -3.804 9.605 -6.392 1.00 41.53 H new ATOM 0 HA3 GLY A 46 -3.535 10.994 -7.427 1.00 41.53 H new ATOM 782 N GLN A 47 -0.709 9.901 -6.670 1.00 14.14 N ATOM 783 CA GLN A 47 0.518 9.224 -7.064 1.00 0.21 C ATOM 784 C GLN A 47 0.730 8.033 -6.147 1.00 71.34 C ATOM 785 O GLN A 47 0.214 8.025 -4.993 1.00 11.55 O ATOM 786 CB GLN A 47 1.710 10.176 -7.012 1.00 64.10 C ATOM 787 CG GLN A 47 1.635 11.325 -7.997 1.00 42.32 C ATOM 788 CD GLN A 47 2.743 12.339 -7.791 1.00 72.42 C ATOM 789 OE1 GLN A 47 3.839 12.008 -7.334 1.00 31.11 O ATOM 790 NE2 GLN A 47 2.474 13.568 -8.129 1.00 34.41 N ATOM 0 H GLN A 47 -0.594 10.554 -5.895 1.00 14.14 H new ATOM 0 HA GLN A 47 0.430 8.879 -8.094 1.00 0.21 H new ATOM 0 HB2 GLN A 47 1.792 10.582 -6.004 1.00 64.10 H new ATOM 0 HB3 GLN A 47 2.621 9.609 -7.202 1.00 64.10 H new ATOM 0 HG2 GLN A 47 1.690 10.933 -9.013 1.00 42.32 H new ATOM 0 HG3 GLN A 47 0.670 11.821 -7.899 1.00 42.32 H new ATOM 0 HE21 GLN A 47 1.555 13.804 -8.504 1.00 34.41 H new ATOM 0 HE22 GLN A 47 3.182 14.294 -8.019 1.00 34.41 H new ATOM 799 N GLU A 48 1.458 7.041 -6.615 1.00 22.24 N ATOM 800 CA GLU A 48 1.622 5.815 -5.864 1.00 65.14 C ATOM 801 C GLU A 48 2.884 5.805 -5.002 1.00 4.43 C ATOM 802 O GLU A 48 3.957 6.203 -5.441 1.00 10.24 O ATOM 803 CB GLU A 48 1.646 4.554 -6.761 1.00 42.01 C ATOM 804 CG GLU A 48 0.438 4.316 -7.679 1.00 40.30 C ATOM 805 CD GLU A 48 0.427 5.205 -8.893 1.00 64.22 C ATOM 806 OE1 GLU A 48 1.240 4.960 -9.817 1.00 43.32 O ATOM 807 OE2 GLU A 48 -0.378 6.131 -8.962 1.00 62.11 O ATOM 0 H GLU A 48 1.945 7.060 -7.511 1.00 22.24 H new ATOM 0 HA GLU A 48 0.744 5.784 -5.219 1.00 65.14 H new ATOM 0 HB2 GLU A 48 2.539 4.601 -7.385 1.00 42.01 H new ATOM 0 HB3 GLU A 48 1.755 3.683 -6.115 1.00 42.01 H new ATOM 0 HG2 GLU A 48 0.435 3.274 -8.000 1.00 40.30 H new ATOM 0 HG3 GLU A 48 -0.478 4.477 -7.111 1.00 40.30 H new ATOM 814 N HIS A 49 2.732 5.332 -3.779 1.00 22.15 N ATOM 815 CA HIS A 49 3.854 5.077 -2.879 1.00 45.11 C ATOM 816 C HIS A 49 4.203 3.614 -3.038 1.00 44.33 C ATOM 817 O HIS A 49 3.344 2.821 -3.435 1.00 1.40 O ATOM 818 CB HIS A 49 3.508 5.290 -1.386 1.00 63.54 C ATOM 819 CG HIS A 49 3.176 6.684 -0.924 1.00 64.30 C ATOM 820 ND1 HIS A 49 4.094 7.509 -0.329 1.00 30.51 N ATOM 821 CD2 HIS A 49 2.007 7.345 -0.877 1.00 12.41 C ATOM 822 CE1 HIS A 49 3.509 8.610 0.075 1.00 64.30 C ATOM 823 NE2 HIS A 49 2.237 8.544 -0.244 1.00 71.21 N ATOM 0 H HIS A 49 1.822 5.111 -3.374 1.00 22.15 H new ATOM 0 HA HIS A 49 4.657 5.768 -3.136 1.00 45.11 H new ATOM 0 HB2 HIS A 49 2.660 4.649 -1.146 1.00 63.54 H new ATOM 0 HB3 HIS A 49 4.352 4.936 -0.795 1.00 63.54 H new ATOM 0 HD2 HIS A 49 1.061 6.998 -1.265 1.00 12.41 H new ATOM 0 HE1 HIS A 49 3.991 9.432 0.584 1.00 64.30 H new ATOM 0 HE2 HIS A 49 1.537 9.261 -0.054 1.00 71.21 H new ATOM 832 N CYS A 50 5.405 3.249 -2.735 1.00 72.32 N ATOM 833 CA CYS A 50 5.801 1.870 -2.845 1.00 65.53 C ATOM 834 C CYS A 50 6.210 1.285 -1.494 1.00 3.43 C ATOM 835 O CYS A 50 7.024 1.866 -0.768 1.00 61.24 O ATOM 836 CB CYS A 50 6.911 1.703 -3.902 1.00 15.35 C ATOM 837 SG CYS A 50 8.351 2.824 -3.692 1.00 23.54 S ATOM 0 H CYS A 50 6.136 3.881 -2.408 1.00 72.32 H new ATOM 0 HA CYS A 50 4.934 1.301 -3.180 1.00 65.53 H new ATOM 0 HB2 CYS A 50 7.264 0.672 -3.877 1.00 15.35 H new ATOM 0 HB3 CYS A 50 6.481 1.869 -4.890 1.00 15.35 H new ATOM 842 N LEU A 51 5.603 0.173 -1.151 1.00 25.52 N ATOM 843 CA LEU A 51 5.948 -0.569 0.041 1.00 62.21 C ATOM 844 C LEU A 51 6.496 -1.909 -0.311 1.00 61.10 C ATOM 845 O LEU A 51 6.064 -2.556 -1.280 1.00 71.42 O ATOM 846 CB LEU A 51 4.803 -0.681 1.050 1.00 52.12 C ATOM 847 CG LEU A 51 4.518 0.562 1.868 1.00 11.52 C ATOM 848 CD1 LEU A 51 3.256 0.371 2.693 1.00 23.33 C ATOM 849 CD2 LEU A 51 5.687 0.855 2.800 1.00 25.52 C ATOM 0 H LEU A 51 4.849 -0.246 -1.695 1.00 25.52 H new ATOM 0 HA LEU A 51 6.724 0.007 0.544 1.00 62.21 H new ATOM 0 HB2 LEU A 51 3.895 -0.954 0.512 1.00 52.12 H new ATOM 0 HB3 LEU A 51 5.026 -1.500 1.734 1.00 52.12 H new ATOM 0 HG LEU A 51 4.379 1.400 1.185 1.00 11.52 H new ATOM 0 HD11 LEU A 51 3.063 1.271 3.276 1.00 23.33 H new ATOM 0 HD12 LEU A 51 2.413 0.181 2.029 1.00 23.33 H new ATOM 0 HD13 LEU A 51 3.386 -0.476 3.366 1.00 23.33 H new ATOM 0 HD21 LEU A 51 5.472 1.750 3.383 1.00 25.52 H new ATOM 0 HD22 LEU A 51 5.836 0.011 3.473 1.00 25.52 H new ATOM 0 HD23 LEU A 51 6.591 1.014 2.211 1.00 25.52 H new ATOM 861 N HIS A 52 7.452 -2.316 0.443 1.00 52.14 N ATOM 862 CA HIS A 52 8.136 -3.553 0.185 1.00 21.22 C ATOM 863 C HIS A 52 7.579 -4.654 1.114 1.00 41.41 C ATOM 864 O HIS A 52 7.626 -4.524 2.337 1.00 23.32 O ATOM 865 CB HIS A 52 9.647 -3.347 0.371 1.00 34.32 C ATOM 866 CG HIS A 52 10.502 -4.461 -0.156 1.00 2.10 C ATOM 867 ND1 HIS A 52 11.358 -5.191 0.617 1.00 53.11 N ATOM 868 CD2 HIS A 52 10.651 -4.934 -1.415 1.00 31.31 C ATOM 869 CE1 HIS A 52 11.996 -6.063 -0.130 1.00 1.13 C ATOM 870 NE2 HIS A 52 11.582 -5.927 -1.367 1.00 15.34 N ATOM 0 H HIS A 52 7.791 -1.808 1.260 1.00 52.14 H new ATOM 0 HA HIS A 52 7.969 -3.875 -0.843 1.00 21.22 H new ATOM 0 HB2 HIS A 52 9.937 -2.420 -0.124 1.00 34.32 H new ATOM 0 HB3 HIS A 52 9.854 -3.220 1.434 1.00 34.32 H new ATOM 0 HD1 HIS A 52 11.483 -5.077 1.623 1.00 53.11 H new ATOM 0 HD2 HIS A 52 10.129 -4.588 -2.295 1.00 31.31 H new ATOM 0 HE1 HIS A 52 12.735 -6.771 0.215 1.00 1.13 H new ATOM 879 N PRO A 53 7.042 -5.748 0.533 1.00 15.31 N ATOM 880 CA PRO A 53 6.368 -6.842 1.293 1.00 31.44 C ATOM 881 C PRO A 53 7.292 -7.676 2.197 1.00 50.15 C ATOM 882 O PRO A 53 6.846 -8.600 2.850 1.00 4.03 O ATOM 883 CB PRO A 53 5.775 -7.717 0.192 1.00 73.21 C ATOM 884 CG PRO A 53 6.631 -7.460 -0.997 1.00 2.41 C ATOM 885 CD PRO A 53 7.011 -6.012 -0.919 1.00 31.53 C ATOM 0 HA PRO A 53 5.645 -6.425 1.994 1.00 31.44 H new ATOM 0 HB2 PRO A 53 5.791 -8.770 0.471 1.00 73.21 H new ATOM 0 HB3 PRO A 53 4.735 -7.456 -0.005 1.00 73.21 H new ATOM 0 HG2 PRO A 53 7.515 -8.098 -0.988 1.00 2.41 H new ATOM 0 HG3 PRO A 53 6.093 -7.674 -1.920 1.00 2.41 H new ATOM 0 HD2 PRO A 53 7.979 -5.824 -1.383 1.00 31.53 H new ATOM 0 HD3 PRO A 53 6.285 -5.378 -1.428 1.00 31.53 H new ATOM 893 N LYS A 54 8.562 -7.347 2.220 1.00 72.12 N ATOM 894 CA LYS A 54 9.514 -8.027 3.091 1.00 44.20 C ATOM 895 C LYS A 54 9.412 -7.563 4.547 1.00 43.23 C ATOM 896 O LYS A 54 9.978 -8.182 5.447 1.00 63.44 O ATOM 897 CB LYS A 54 10.947 -7.930 2.559 1.00 40.04 C ATOM 898 CG LYS A 54 11.337 -9.076 1.621 1.00 61.14 C ATOM 899 CD LYS A 54 10.408 -9.233 0.422 1.00 63.33 C ATOM 900 CE LYS A 54 10.742 -10.519 -0.318 1.00 45.55 C ATOM 901 NZ LYS A 54 9.808 -10.821 -1.429 1.00 13.21 N ATOM 0 H LYS A 54 8.969 -6.610 1.645 1.00 72.12 H new ATOM 0 HA LYS A 54 9.240 -9.082 3.083 1.00 44.20 H new ATOM 0 HB2 LYS A 54 11.065 -6.984 2.030 1.00 40.04 H new ATOM 0 HB3 LYS A 54 11.637 -7.912 3.402 1.00 40.04 H new ATOM 0 HG2 LYS A 54 12.353 -8.910 1.262 1.00 61.14 H new ATOM 0 HG3 LYS A 54 11.347 -10.008 2.186 1.00 61.14 H new ATOM 0 HD2 LYS A 54 9.370 -9.252 0.754 1.00 63.33 H new ATOM 0 HD3 LYS A 54 10.514 -8.379 -0.247 1.00 63.33 H new ATOM 0 HE2 LYS A 54 11.755 -10.448 -0.714 1.00 45.55 H new ATOM 0 HE3 LYS A 54 10.734 -11.349 0.389 1.00 45.55 H new ATOM 0 HZ1 LYS A 54 10.019 -11.764 -1.813 1.00 13.21 H new ATOM 0 HZ2 LYS A 54 8.830 -10.802 -1.075 1.00 13.21 H new ATOM 0 HZ3 LYS A 54 9.919 -10.109 -2.179 1.00 13.21 H new ATOM 915 N LEU A 55 8.714 -6.459 4.765 1.00 0.11 N ATOM 916 CA LEU A 55 8.485 -5.940 6.107 1.00 61.21 C ATOM 917 C LEU A 55 7.203 -6.541 6.675 1.00 25.54 C ATOM 918 O LEU A 55 6.240 -6.765 5.939 1.00 60.43 O ATOM 919 CB LEU A 55 8.352 -4.409 6.082 1.00 71.14 C ATOM 920 CG LEU A 55 9.565 -3.615 5.585 1.00 33.03 C ATOM 921 CD1 LEU A 55 9.236 -2.131 5.530 1.00 2.52 C ATOM 922 CD2 LEU A 55 10.771 -3.853 6.486 1.00 25.23 C ATOM 0 H LEU A 55 8.292 -5.900 4.023 1.00 0.11 H new ATOM 0 HA LEU A 55 9.336 -6.212 6.732 1.00 61.21 H new ATOM 0 HB2 LEU A 55 7.499 -4.153 5.454 1.00 71.14 H new ATOM 0 HB3 LEU A 55 8.117 -4.072 7.092 1.00 71.14 H new ATOM 0 HG LEU A 55 9.812 -3.959 4.581 1.00 33.03 H new ATOM 0 HD11 LEU A 55 10.106 -1.578 5.175 1.00 2.52 H new ATOM 0 HD12 LEU A 55 8.401 -1.969 4.849 1.00 2.52 H new ATOM 0 HD13 LEU A 55 8.965 -1.781 6.526 1.00 2.52 H new ATOM 0 HD21 LEU A 55 11.621 -3.280 6.115 1.00 25.23 H new ATOM 0 HD22 LEU A 55 10.535 -3.536 7.502 1.00 25.23 H new ATOM 0 HD23 LEU A 55 11.021 -4.914 6.486 1.00 25.23 H new ATOM 934 N GLN A 56 7.183 -6.782 7.975 1.00 51.02 N ATOM 935 CA GLN A 56 6.010 -7.346 8.641 1.00 4.02 C ATOM 936 C GLN A 56 4.931 -6.294 8.801 1.00 23.03 C ATOM 937 O GLN A 56 3.730 -6.612 8.809 1.00 75.43 O ATOM 938 CB GLN A 56 6.373 -7.938 9.998 1.00 71.15 C ATOM 939 CG GLN A 56 7.335 -9.103 9.925 1.00 52.51 C ATOM 940 CD GLN A 56 7.646 -9.675 11.287 1.00 73.32 C ATOM 941 OE1 GLN A 56 7.638 -8.966 12.295 1.00 62.23 O ATOM 942 NE2 GLN A 56 7.908 -10.946 11.337 1.00 24.33 N ATOM 0 H GLN A 56 7.969 -6.596 8.598 1.00 51.02 H new ATOM 0 HA GLN A 56 5.628 -8.150 8.013 1.00 4.02 H new ATOM 0 HB2 GLN A 56 6.812 -7.156 10.618 1.00 71.15 H new ATOM 0 HB3 GLN A 56 5.460 -8.265 10.496 1.00 71.15 H new ATOM 0 HG2 GLN A 56 6.910 -9.883 9.294 1.00 52.51 H new ATOM 0 HG3 GLN A 56 8.261 -8.778 9.450 1.00 52.51 H new ATOM 0 HE21 GLN A 56 7.905 -11.501 10.481 1.00 24.33 H new ATOM 0 HE22 GLN A 56 8.116 -11.389 12.232 1.00 24.33 H new ATOM 951 N SER A 57 5.366 -5.041 8.908 1.00 15.21 N ATOM 952 CA SER A 57 4.476 -3.896 9.021 1.00 60.01 C ATOM 953 C SER A 57 3.535 -3.853 7.813 1.00 0.24 C ATOM 954 O SER A 57 2.343 -3.525 7.932 1.00 43.33 O ATOM 955 CB SER A 57 5.327 -2.628 9.059 1.00 24.31 C ATOM 956 OG SER A 57 6.343 -2.732 10.059 1.00 72.13 O ATOM 0 H SER A 57 6.355 -4.793 8.918 1.00 15.21 H new ATOM 0 HA SER A 57 3.878 -3.973 9.929 1.00 60.01 H new ATOM 0 HB2 SER A 57 5.785 -2.462 8.084 1.00 24.31 H new ATOM 0 HB3 SER A 57 4.694 -1.765 9.265 1.00 24.31 H new ATOM 0 HG SER A 57 6.879 -1.912 10.067 1.00 72.13 H new ATOM 962 N THR A 58 4.083 -4.228 6.671 1.00 44.32 N ATOM 963 CA THR A 58 3.376 -4.256 5.433 1.00 22.30 C ATOM 964 C THR A 58 2.181 -5.229 5.510 1.00 2.23 C ATOM 965 O THR A 58 1.091 -4.900 5.062 1.00 31.53 O ATOM 966 CB THR A 58 4.336 -4.686 4.305 1.00 43.51 C ATOM 967 OG1 THR A 58 5.533 -3.881 4.380 1.00 61.23 O ATOM 968 CG2 THR A 58 3.693 -4.477 2.951 1.00 24.53 C ATOM 0 H THR A 58 5.055 -4.526 6.592 1.00 44.32 H new ATOM 0 HA THR A 58 2.991 -3.258 5.224 1.00 22.30 H new ATOM 0 HB THR A 58 4.573 -5.743 4.426 1.00 43.51 H new ATOM 0 HG1 THR A 58 6.159 -4.160 3.680 1.00 61.23 H new ATOM 0 HG21 THR A 58 4.385 -4.786 2.168 1.00 24.53 H new ATOM 0 HG22 THR A 58 2.782 -5.072 2.885 1.00 24.53 H new ATOM 0 HG23 THR A 58 3.448 -3.423 2.823 1.00 24.53 H new ATOM 976 N LYS A 59 2.389 -6.408 6.131 1.00 21.33 N ATOM 977 CA LYS A 59 1.333 -7.415 6.236 1.00 61.42 C ATOM 978 C LYS A 59 0.102 -6.899 6.912 1.00 33.32 C ATOM 979 O LYS A 59 -0.989 -7.037 6.368 1.00 13.31 O ATOM 980 CB LYS A 59 1.800 -8.721 6.891 1.00 33.14 C ATOM 981 CG LYS A 59 2.660 -9.604 6.003 1.00 64.45 C ATOM 982 CD LYS A 59 4.000 -8.990 5.663 1.00 43.20 C ATOM 983 CE LYS A 59 4.803 -9.890 4.749 1.00 34.13 C ATOM 984 NZ LYS A 59 4.105 -10.143 3.469 1.00 55.24 N ATOM 0 H LYS A 59 3.274 -6.677 6.562 1.00 21.33 H new ATOM 0 HA LYS A 59 1.073 -7.648 5.203 1.00 61.42 H new ATOM 0 HB2 LYS A 59 2.362 -8.479 7.793 1.00 33.14 H new ATOM 0 HB3 LYS A 59 0.924 -9.288 7.205 1.00 33.14 H new ATOM 0 HG2 LYS A 59 2.822 -10.560 6.502 1.00 64.45 H new ATOM 0 HG3 LYS A 59 2.120 -9.814 5.080 1.00 64.45 H new ATOM 0 HD2 LYS A 59 3.848 -8.023 5.183 1.00 43.20 H new ATOM 0 HD3 LYS A 59 4.561 -8.806 6.579 1.00 43.20 H new ATOM 0 HE2 LYS A 59 5.772 -9.433 4.549 1.00 34.13 H new ATOM 0 HE3 LYS A 59 4.995 -10.838 5.251 1.00 34.13 H new ATOM 0 HZ1 LYS A 59 4.775 -10.541 2.781 1.00 55.24 H new ATOM 0 HZ2 LYS A 59 3.328 -10.817 3.625 1.00 55.24 H new ATOM 0 HZ3 LYS A 59 3.720 -9.250 3.101 1.00 55.24 H new ATOM 998 N ARG A 60 0.248 -6.267 8.070 1.00 14.20 N ATOM 999 CA ARG A 60 -0.909 -5.742 8.723 1.00 44.43 C ATOM 1000 C ARG A 60 -1.534 -4.641 7.964 1.00 2.15 C ATOM 1001 O ARG A 60 -2.719 -4.560 7.924 1.00 30.51 O ATOM 1002 CB ARG A 60 -0.708 -5.350 10.176 1.00 32.30 C ATOM 1003 CG ARG A 60 -0.813 -6.496 11.154 1.00 12.22 C ATOM 1004 CD ARG A 60 0.380 -7.432 11.074 1.00 12.44 C ATOM 1005 NE ARG A 60 0.230 -8.591 11.957 1.00 72.32 N ATOM 1006 CZ ARG A 60 1.238 -9.362 12.382 1.00 41.14 C ATOM 1007 NH1 ARG A 60 2.500 -9.035 12.122 1.00 62.21 N ATOM 1008 NH2 ARG A 60 0.983 -10.435 13.095 1.00 33.42 N ATOM 0 H ARG A 60 1.134 -6.116 8.552 1.00 14.20 H new ATOM 0 HA ARG A 60 -1.598 -6.587 8.742 1.00 44.43 H new ATOM 0 HB2 ARG A 60 0.273 -4.887 10.282 1.00 32.30 H new ATOM 0 HB3 ARG A 60 -1.447 -4.594 10.441 1.00 32.30 H new ATOM 0 HG2 ARG A 60 -0.895 -6.101 12.166 1.00 12.22 H new ATOM 0 HG3 ARG A 60 -1.726 -7.057 10.956 1.00 12.22 H new ATOM 0 HD2 ARG A 60 0.504 -7.773 10.046 1.00 12.44 H new ATOM 0 HD3 ARG A 60 1.286 -6.888 11.341 1.00 12.44 H new ATOM 0 HE ARG A 60 -0.711 -8.828 12.271 1.00 72.32 H new ATOM 0 HH11 ARG A 60 2.709 -8.188 11.593 1.00 62.21 H new ATOM 0 HH12 ARG A 60 3.259 -9.631 12.451 1.00 62.21 H new ATOM 0 HH21 ARG A 60 0.019 -10.679 13.323 1.00 33.42 H new ATOM 0 HH22 ARG A 60 1.749 -11.025 13.421 1.00 33.42 H new ATOM 1022 N PHE A 61 -0.741 -3.813 7.329 1.00 63.05 N ATOM 1023 CA PHE A 61 -1.302 -2.712 6.578 1.00 52.12 C ATOM 1024 C PHE A 61 -2.157 -3.247 5.421 1.00 11.15 C ATOM 1025 O PHE A 61 -3.239 -2.740 5.161 1.00 42.11 O ATOM 1026 CB PHE A 61 -0.207 -1.814 6.048 1.00 74.53 C ATOM 1027 CG PHE A 61 -0.695 -0.469 5.537 1.00 63.34 C ATOM 1028 CD1 PHE A 61 -1.008 0.543 6.433 1.00 34.21 C ATOM 1029 CD2 PHE A 61 -0.828 -0.210 4.187 1.00 62.54 C ATOM 1030 CE1 PHE A 61 -1.440 1.777 5.998 1.00 2.22 C ATOM 1031 CE2 PHE A 61 -1.255 1.037 3.747 1.00 61.23 C ATOM 1032 CZ PHE A 61 -1.559 2.029 4.658 1.00 25.03 C ATOM 0 H PHE A 61 0.277 -3.876 7.315 1.00 63.05 H new ATOM 0 HA PHE A 61 -1.934 -2.124 7.244 1.00 52.12 H new ATOM 0 HB2 PHE A 61 0.524 -1.646 6.839 1.00 74.53 H new ATOM 0 HB3 PHE A 61 0.311 -2.330 5.240 1.00 74.53 H new ATOM 0 HD1 PHE A 61 -0.911 0.360 7.493 1.00 34.21 H new ATOM 0 HD2 PHE A 61 -0.598 -0.982 3.468 1.00 62.54 H new ATOM 0 HE1 PHE A 61 -1.685 2.546 6.715 1.00 2.22 H new ATOM 0 HE2 PHE A 61 -1.349 1.231 2.689 1.00 61.23 H new ATOM 0 HZ PHE A 61 -1.889 2.999 4.315 1.00 25.03 H new ATOM 1042 N ILE A 62 -1.677 -4.295 4.766 1.00 72.30 N ATOM 1043 CA ILE A 62 -2.406 -4.900 3.653 1.00 0.52 C ATOM 1044 C ILE A 62 -3.648 -5.600 4.153 1.00 24.20 C ATOM 1045 O ILE A 62 -4.756 -5.353 3.669 1.00 3.12 O ATOM 1046 CB ILE A 62 -1.551 -5.930 2.871 1.00 12.41 C ATOM 1047 CG1 ILE A 62 -0.246 -5.302 2.401 1.00 24.41 C ATOM 1048 CG2 ILE A 62 -2.338 -6.483 1.688 1.00 0.44 C ATOM 1049 CD1 ILE A 62 -0.432 -4.048 1.613 1.00 75.43 C ATOM 0 H ILE A 62 -0.788 -4.745 4.983 1.00 72.30 H new ATOM 0 HA ILE A 62 -2.667 -4.083 2.980 1.00 0.52 H new ATOM 0 HB ILE A 62 -1.308 -6.755 3.541 1.00 12.41 H new ATOM 0 HG12 ILE A 62 0.376 -5.086 3.270 1.00 24.41 H new ATOM 0 HG13 ILE A 62 0.297 -6.026 1.793 1.00 24.41 H new ATOM 0 HG21 ILE A 62 -1.725 -7.205 1.149 1.00 0.44 H new ATOM 0 HG22 ILE A 62 -3.242 -6.973 2.050 1.00 0.44 H new ATOM 0 HG23 ILE A 62 -2.611 -5.667 1.019 1.00 0.44 H new ATOM 0 HD11 ILE A 62 0.541 -3.659 1.313 1.00 75.43 H new ATOM 0 HD12 ILE A 62 -1.027 -4.261 0.725 1.00 75.43 H new ATOM 0 HD13 ILE A 62 -0.946 -3.307 2.225 1.00 75.43 H new ATOM 1061 N LYS A 63 -3.466 -6.455 5.147 1.00 62.24 N ATOM 1062 CA LYS A 63 -4.577 -7.257 5.681 1.00 73.15 C ATOM 1063 C LYS A 63 -5.633 -6.357 6.305 1.00 33.33 C ATOM 1064 O LYS A 63 -6.831 -6.676 6.299 1.00 71.53 O ATOM 1065 CB LYS A 63 -4.099 -8.277 6.732 1.00 55.23 C ATOM 1066 CG LYS A 63 -3.019 -9.314 6.307 1.00 64.22 C ATOM 1067 CD LYS A 63 -3.428 -10.265 5.163 1.00 73.30 C ATOM 1068 CE LYS A 63 -3.347 -9.627 3.778 1.00 3.12 C ATOM 1069 NZ LYS A 63 -3.757 -10.571 2.717 1.00 24.33 N ATOM 0 H LYS A 63 -2.569 -6.617 5.604 1.00 62.24 H new ATOM 0 HA LYS A 63 -5.005 -7.804 4.841 1.00 73.15 H new ATOM 0 HB2 LYS A 63 -3.710 -7.720 7.584 1.00 55.23 H new ATOM 0 HB3 LYS A 63 -4.971 -8.828 7.083 1.00 55.23 H new ATOM 0 HG2 LYS A 63 -2.121 -8.775 6.005 1.00 64.22 H new ATOM 0 HG3 LYS A 63 -2.753 -9.914 7.178 1.00 64.22 H new ATOM 0 HD2 LYS A 63 -2.785 -11.145 5.186 1.00 73.30 H new ATOM 0 HD3 LYS A 63 -4.447 -10.610 5.336 1.00 73.30 H new ATOM 0 HE2 LYS A 63 -3.985 -8.744 3.746 1.00 3.12 H new ATOM 0 HE3 LYS A 63 -2.327 -9.290 3.591 1.00 3.12 H new ATOM 0 HZ1 LYS A 63 -3.689 -10.103 1.791 1.00 24.33 H new ATOM 0 HZ2 LYS A 63 -3.132 -11.402 2.731 1.00 24.33 H new ATOM 0 HZ3 LYS A 63 -4.739 -10.873 2.881 1.00 24.33 H new ATOM 1083 N TRP A 64 -5.194 -5.246 6.829 1.00 75.42 N ATOM 1084 CA TRP A 64 -6.076 -4.322 7.471 1.00 3.34 C ATOM 1085 C TRP A 64 -6.780 -3.477 6.416 1.00 31.23 C ATOM 1086 O TRP A 64 -7.988 -3.223 6.521 1.00 1.34 O ATOM 1087 CB TRP A 64 -5.292 -3.434 8.415 1.00 21.33 C ATOM 1088 CG TRP A 64 -5.980 -3.126 9.689 1.00 62.04 C ATOM 1089 CD1 TRP A 64 -5.814 -3.791 10.867 1.00 54.40 C ATOM 1090 CD2 TRP A 64 -6.931 -2.085 9.935 1.00 21.25 C ATOM 1091 NE1 TRP A 64 -6.607 -3.229 11.829 1.00 43.11 N ATOM 1092 CE2 TRP A 64 -7.306 -2.184 11.284 1.00 55.41 C ATOM 1093 CE3 TRP A 64 -7.506 -1.086 9.146 1.00 24.51 C ATOM 1094 CZ2 TRP A 64 -8.227 -1.317 11.865 1.00 3.41 C ATOM 1095 CZ3 TRP A 64 -8.416 -0.225 9.722 1.00 41.03 C ATOM 1096 CH2 TRP A 64 -8.769 -0.346 11.069 1.00 74.21 C ATOM 0 H TRP A 64 -4.215 -4.959 6.821 1.00 75.42 H new ATOM 0 HA TRP A 64 -6.822 -4.871 8.046 1.00 3.34 H new ATOM 0 HB2 TRP A 64 -4.340 -3.916 8.639 1.00 21.33 H new ATOM 0 HB3 TRP A 64 -5.063 -2.498 7.906 1.00 21.33 H new ATOM 0 HD1 TRP A 64 -5.156 -4.634 11.018 1.00 54.40 H new ATOM 0 HE1 TRP A 64 -6.668 -3.539 12.799 1.00 43.11 H new ATOM 0 HE3 TRP A 64 -7.242 -0.990 8.103 1.00 24.51 H new ATOM 0 HZ2 TRP A 64 -8.503 -1.408 12.905 1.00 3.41 H new ATOM 0 HZ3 TRP A 64 -8.863 0.555 9.123 1.00 41.03 H new ATOM 0 HH2 TRP A 64 -9.486 0.343 11.491 1.00 74.21 H new ATOM 1107 N TYR A 65 -6.028 -3.058 5.365 1.00 54.40 N ATOM 1108 CA TYR A 65 -6.618 -2.250 4.311 1.00 64.14 C ATOM 1109 C TYR A 65 -7.666 -3.030 3.563 1.00 54.12 C ATOM 1110 O TYR A 65 -8.670 -2.475 3.170 1.00 71.24 O ATOM 1111 CB TYR A 65 -5.590 -1.653 3.332 1.00 63.40 C ATOM 1112 CG TYR A 65 -6.242 -0.695 2.340 1.00 54.12 C ATOM 1113 CD1 TYR A 65 -6.734 0.523 2.773 1.00 64.43 C ATOM 1114 CD2 TYR A 65 -6.388 -1.011 0.988 1.00 45.03 C ATOM 1115 CE1 TYR A 65 -7.348 1.400 1.908 1.00 52.45 C ATOM 1116 CE2 TYR A 65 -7.004 -0.120 0.111 1.00 10.23 C ATOM 1117 CZ TYR A 65 -7.481 1.076 0.588 1.00 2.42 C ATOM 1118 OH TYR A 65 -8.102 1.958 -0.263 1.00 32.03 O ATOM 0 H TYR A 65 -5.038 -3.269 5.242 1.00 54.40 H new ATOM 0 HA TYR A 65 -7.084 -1.403 4.814 1.00 64.14 H new ATOM 0 HB2 TYR A 65 -4.818 -1.126 3.892 1.00 63.40 H new ATOM 0 HB3 TYR A 65 -5.096 -2.458 2.788 1.00 63.40 H new ATOM 0 HD1 TYR A 65 -6.634 0.792 3.814 1.00 64.43 H new ATOM 0 HD2 TYR A 65 -6.020 -1.956 0.618 1.00 45.03 H new ATOM 0 HE1 TYR A 65 -7.725 2.344 2.273 1.00 52.45 H new ATOM 0 HE2 TYR A 65 -7.105 -0.368 -0.935 1.00 10.23 H new ATOM 0 HH TYR A 65 -8.026 2.867 0.096 1.00 32.03 H new ATOM 1128 N ASN A 66 -7.431 -4.323 3.374 1.00 23.03 N ATOM 1129 CA ASN A 66 -8.415 -5.191 2.717 1.00 75.01 C ATOM 1130 C ASN A 66 -9.762 -5.125 3.412 1.00 71.30 C ATOM 1131 O ASN A 66 -10.787 -4.971 2.765 1.00 51.50 O ATOM 1132 CB ASN A 66 -7.930 -6.647 2.616 1.00 45.11 C ATOM 1133 CG ASN A 66 -6.803 -6.839 1.618 1.00 2.23 C ATOM 1134 OD1 ASN A 66 -6.696 -6.113 0.625 1.00 51.51 O ATOM 1135 ND2 ASN A 66 -5.976 -7.824 1.851 1.00 5.22 N ATOM 0 H ASN A 66 -6.575 -4.796 3.662 1.00 23.03 H new ATOM 0 HA ASN A 66 -8.534 -4.814 1.701 1.00 75.01 H new ATOM 0 HB2 ASN A 66 -7.596 -6.980 3.599 1.00 45.11 H new ATOM 0 HB3 ASN A 66 -8.769 -7.283 2.332 1.00 45.11 H new ATOM 0 HD21 ASN A 66 -5.212 -8.013 1.202 1.00 5.22 H new ATOM 0 HD22 ASN A 66 -6.094 -8.404 2.682 1.00 5.22 H new ATOM 1142 N ALA A 67 -9.749 -5.190 4.734 1.00 65.04 N ATOM 1143 CA ALA A 67 -10.982 -5.117 5.509 1.00 14.34 C ATOM 1144 C ALA A 67 -11.585 -3.715 5.415 1.00 42.33 C ATOM 1145 O ALA A 67 -12.779 -3.555 5.201 1.00 24.43 O ATOM 1146 CB ALA A 67 -10.718 -5.496 6.955 1.00 43.32 C ATOM 0 H ALA A 67 -8.902 -5.293 5.293 1.00 65.04 H new ATOM 0 HA ALA A 67 -11.700 -5.826 5.096 1.00 14.34 H new ATOM 0 HB1 ALA A 67 -11.647 -5.437 7.522 1.00 43.32 H new ATOM 0 HB2 ALA A 67 -10.330 -6.514 6.999 1.00 43.32 H new ATOM 0 HB3 ALA A 67 -9.987 -4.810 7.383 1.00 43.32 H new ATOM 1152 N TRP A 68 -10.736 -2.724 5.567 1.00 61.05 N ATOM 1153 CA TRP A 68 -11.113 -1.310 5.475 1.00 71.21 C ATOM 1154 C TRP A 68 -11.731 -0.983 4.109 1.00 2.34 C ATOM 1155 O TRP A 68 -12.740 -0.275 4.027 1.00 12.03 O ATOM 1156 CB TRP A 68 -9.863 -0.455 5.777 1.00 74.33 C ATOM 1157 CG TRP A 68 -9.937 1.018 5.475 1.00 4.15 C ATOM 1158 CD1 TRP A 68 -9.607 1.606 4.297 1.00 41.35 C ATOM 1159 CD2 TRP A 68 -10.322 2.091 6.354 1.00 32.14 C ATOM 1160 NE1 TRP A 68 -9.749 2.955 4.374 1.00 25.52 N ATOM 1161 CE2 TRP A 68 -10.188 3.286 5.616 1.00 12.01 C ATOM 1162 CE3 TRP A 68 -10.759 2.169 7.679 1.00 65.13 C ATOM 1163 CZ2 TRP A 68 -10.474 4.530 6.146 1.00 52.12 C ATOM 1164 CZ3 TRP A 68 -11.043 3.420 8.204 1.00 12.34 C ATOM 1165 CH2 TRP A 68 -10.895 4.583 7.429 1.00 15.10 C ATOM 0 H TRP A 68 -9.745 -2.868 5.762 1.00 61.05 H new ATOM 0 HA TRP A 68 -11.885 -1.080 6.210 1.00 71.21 H new ATOM 0 HB2 TRP A 68 -9.625 -0.570 6.834 1.00 74.33 H new ATOM 0 HB3 TRP A 68 -9.027 -0.872 5.215 1.00 74.33 H new ATOM 0 HD1 TRP A 68 -9.276 1.074 3.417 1.00 41.35 H new ATOM 0 HE1 TRP A 68 -9.557 3.614 3.620 1.00 25.52 H new ATOM 0 HE3 TRP A 68 -10.873 1.278 8.278 1.00 65.13 H new ATOM 0 HZ2 TRP A 68 -10.365 5.428 5.556 1.00 52.12 H new ATOM 0 HZ3 TRP A 68 -11.384 3.502 9.226 1.00 12.34 H new ATOM 0 HH2 TRP A 68 -11.123 5.542 7.869 1.00 15.10 H new ATOM 1176 N ASN A 69 -11.141 -1.518 3.060 1.00 4.53 N ATOM 1177 CA ASN A 69 -11.621 -1.305 1.707 1.00 55.42 C ATOM 1178 C ASN A 69 -12.998 -1.920 1.567 1.00 4.21 C ATOM 1179 O ASN A 69 -13.914 -1.273 1.081 1.00 53.41 O ATOM 1180 CB ASN A 69 -10.641 -1.917 0.679 1.00 5.11 C ATOM 1181 CG ASN A 69 -10.963 -1.581 -0.785 1.00 60.22 C ATOM 1182 OD1 ASN A 69 -12.117 -1.379 -1.178 1.00 53.15 O ATOM 1183 ND2 ASN A 69 -9.941 -1.523 -1.605 1.00 71.11 N ATOM 0 H ASN A 69 -10.315 -2.113 3.120 1.00 4.53 H new ATOM 0 HA ASN A 69 -11.683 -0.235 1.509 1.00 55.42 H new ATOM 0 HB2 ASN A 69 -9.633 -1.570 0.905 1.00 5.11 H new ATOM 0 HB3 ASN A 69 -10.639 -3.000 0.798 1.00 5.11 H new ATOM 0 HD21 ASN A 69 -10.090 -1.307 -2.591 1.00 71.11 H new ATOM 0 HD22 ASN A 69 -8.998 -1.694 -1.257 1.00 71.11 H new ATOM 1190 N GLU A 70 -13.151 -3.154 2.049 1.00 72.13 N ATOM 1191 CA GLU A 70 -14.433 -3.847 1.991 1.00 71.40 C ATOM 1192 C GLU A 70 -15.495 -3.122 2.804 1.00 51.51 C ATOM 1193 O GLU A 70 -16.648 -3.076 2.406 1.00 52.44 O ATOM 1194 CB GLU A 70 -14.308 -5.299 2.449 1.00 64.32 C ATOM 1195 CG GLU A 70 -13.384 -6.156 1.593 1.00 41.20 C ATOM 1196 CD GLU A 70 -13.826 -6.256 0.148 1.00 5.23 C ATOM 1197 OE1 GLU A 70 -14.820 -6.940 -0.122 1.00 75.50 O ATOM 1198 OE2 GLU A 70 -13.148 -5.697 -0.743 1.00 54.04 O ATOM 0 H GLU A 70 -12.401 -3.692 2.484 1.00 72.13 H new ATOM 0 HA GLU A 70 -14.747 -3.848 0.947 1.00 71.40 H new ATOM 0 HB2 GLU A 70 -13.946 -5.312 3.477 1.00 64.32 H new ATOM 0 HB3 GLU A 70 -15.300 -5.751 2.455 1.00 64.32 H new ATOM 0 HG2 GLU A 70 -12.377 -5.740 1.630 1.00 41.20 H new ATOM 0 HG3 GLU A 70 -13.331 -7.158 2.019 1.00 41.20 H new ATOM 1205 N LYS A 71 -15.106 -2.534 3.928 1.00 63.52 N ATOM 1206 CA LYS A 71 -16.038 -1.793 4.738 1.00 53.11 C ATOM 1207 C LYS A 71 -16.535 -0.538 4.050 1.00 4.14 C ATOM 1208 O LYS A 71 -17.694 -0.163 4.187 1.00 53.30 O ATOM 1209 CB LYS A 71 -15.466 -1.504 6.077 1.00 33.23 C ATOM 1210 CG LYS A 71 -15.294 -2.776 6.860 1.00 64.31 C ATOM 1211 CD LYS A 71 -14.929 -2.502 8.256 1.00 2.30 C ATOM 1212 CE LYS A 71 -13.556 -1.857 8.370 1.00 70.42 C ATOM 1213 NZ LYS A 71 -13.160 -1.641 9.774 1.00 22.44 N ATOM 0 H LYS A 71 -14.153 -2.561 4.291 1.00 63.52 H new ATOM 0 HA LYS A 71 -16.914 -2.425 4.881 1.00 53.11 H new ATOM 0 HB2 LYS A 71 -14.504 -1.004 5.968 1.00 33.23 H new ATOM 0 HB3 LYS A 71 -16.120 -0.821 6.619 1.00 33.23 H new ATOM 0 HG2 LYS A 71 -16.220 -3.351 6.831 1.00 64.31 H new ATOM 0 HG3 LYS A 71 -14.523 -3.390 6.395 1.00 64.31 H new ATOM 0 HD2 LYS A 71 -15.676 -1.846 8.704 1.00 2.30 H new ATOM 0 HD3 LYS A 71 -14.941 -3.433 8.823 1.00 2.30 H new ATOM 0 HE2 LYS A 71 -12.817 -2.489 7.878 1.00 70.42 H new ATOM 0 HE3 LYS A 71 -13.559 -0.902 7.844 1.00 70.42 H new ATOM 0 HZ1 LYS A 71 -12.219 -1.200 9.805 1.00 22.44 H new ATOM 0 HZ2 LYS A 71 -13.851 -1.017 10.237 1.00 22.44 H new ATOM 0 HZ3 LYS A 71 -13.131 -2.554 10.271 1.00 22.44 H new ATOM 1227 N ARG A 72 -15.667 0.096 3.279 1.00 51.14 N ATOM 1228 CA ARG A 72 -16.042 1.287 2.511 1.00 5.33 C ATOM 1229 C ARG A 72 -16.819 0.870 1.260 1.00 42.42 C ATOM 1230 O ARG A 72 -17.706 1.579 0.792 1.00 45.41 O ATOM 1231 CB ARG A 72 -14.797 2.088 2.128 1.00 5.14 C ATOM 1232 CG ARG A 72 -14.012 2.610 3.322 1.00 12.12 C ATOM 1233 CD ARG A 72 -12.747 3.324 2.885 1.00 61.14 C ATOM 1234 NE ARG A 72 -13.018 4.500 2.050 1.00 71.41 N ATOM 1235 CZ ARG A 72 -12.124 5.091 1.240 1.00 71.00 C ATOM 1236 NH1 ARG A 72 -10.901 4.567 1.083 1.00 55.22 N ATOM 1237 NH2 ARG A 72 -12.465 6.177 0.569 1.00 0.10 N ATOM 0 H ARG A 72 -14.695 -0.190 3.164 1.00 51.14 H new ATOM 0 HA ARG A 72 -16.679 1.922 3.127 1.00 5.33 H new ATOM 0 HB2 ARG A 72 -14.144 1.460 1.522 1.00 5.14 H new ATOM 0 HB3 ARG A 72 -15.096 2.931 1.505 1.00 5.14 H new ATOM 0 HG2 ARG A 72 -14.636 3.293 3.899 1.00 12.12 H new ATOM 0 HG3 ARG A 72 -13.754 1.780 3.980 1.00 12.12 H new ATOM 0 HD2 ARG A 72 -12.186 3.632 3.767 1.00 61.14 H new ATOM 0 HD3 ARG A 72 -12.115 2.629 2.332 1.00 61.14 H new ATOM 0 HE ARG A 72 -13.956 4.899 2.087 1.00 71.41 H new ATOM 0 HH11 ARG A 72 -10.644 3.714 1.580 1.00 55.22 H new ATOM 0 HH12 ARG A 72 -10.227 5.021 0.466 1.00 55.22 H new ATOM 0 HH21 ARG A 72 -13.404 6.563 0.667 1.00 0.10 H new ATOM 0 HH22 ARG A 72 -11.789 6.629 -0.047 1.00 0.10 H new ATOM 1251 N ARG A 73 -16.468 -0.298 0.742 1.00 42.45 N ATOM 1252 CA ARG A 73 -17.124 -0.931 -0.411 1.00 52.05 C ATOM 1253 C ARG A 73 -18.543 -1.356 -0.018 1.00 52.05 C ATOM 1254 O ARG A 73 -19.437 -1.472 -0.864 1.00 63.32 O ATOM 1255 CB ARG A 73 -16.295 -2.167 -0.794 1.00 5.13 C ATOM 1256 CG ARG A 73 -16.786 -2.977 -1.975 1.00 4.20 C ATOM 1257 CD ARG A 73 -15.886 -4.191 -2.178 1.00 11.32 C ATOM 1258 NE ARG A 73 -16.287 -5.020 -3.318 1.00 54.14 N ATOM 1259 CZ ARG A 73 -15.630 -6.118 -3.730 1.00 31.24 C ATOM 1260 NH1 ARG A 73 -14.576 -6.567 -3.051 1.00 63.03 N ATOM 1261 NH2 ARG A 73 -16.059 -6.786 -4.798 1.00 13.01 N ATOM 0 H ARG A 73 -15.699 -0.853 1.117 1.00 42.45 H new ATOM 0 HA ARG A 73 -17.188 -0.240 -1.251 1.00 52.05 H new ATOM 0 HB2 ARG A 73 -15.276 -1.841 -1.005 1.00 5.13 H new ATOM 0 HB3 ARG A 73 -16.246 -2.826 0.073 1.00 5.13 H new ATOM 0 HG2 ARG A 73 -17.813 -3.299 -1.805 1.00 4.20 H new ATOM 0 HG3 ARG A 73 -16.789 -2.361 -2.874 1.00 4.20 H new ATOM 0 HD2 ARG A 73 -14.860 -3.854 -2.324 1.00 11.32 H new ATOM 0 HD3 ARG A 73 -15.896 -4.799 -1.273 1.00 11.32 H new ATOM 0 HE ARG A 73 -17.122 -4.745 -3.835 1.00 54.14 H new ATOM 0 HH11 ARG A 73 -14.263 -6.077 -2.213 1.00 63.03 H new ATOM 0 HH12 ARG A 73 -14.082 -7.401 -3.369 1.00 63.03 H new ATOM 0 HH21 ARG A 73 -16.885 -6.465 -5.303 1.00 13.01 H new ATOM 0 HH22 ARG A 73 -15.562 -7.619 -5.112 1.00 13.01 H new ATOM 1275 N VAL A 74 -18.709 -1.542 1.287 1.00 24.01 N ATOM 1276 CA VAL A 74 -19.932 -1.972 1.953 1.00 34.50 C ATOM 1277 C VAL A 74 -20.026 -3.476 1.958 1.00 22.33 C ATOM 1278 O VAL A 74 -20.331 -4.134 0.954 1.00 64.35 O ATOM 1279 CB VAL A 74 -21.239 -1.322 1.448 1.00 64.44 C ATOM 1280 CG1 VAL A 74 -22.448 -1.830 2.240 1.00 32.04 C ATOM 1281 CG2 VAL A 74 -21.165 0.203 1.488 1.00 72.55 C ATOM 0 H VAL A 74 -17.947 -1.387 1.947 1.00 24.01 H new ATOM 0 HA VAL A 74 -19.841 -1.603 2.975 1.00 34.50 H new ATOM 0 HB VAL A 74 -21.365 -1.617 0.406 1.00 64.44 H new ATOM 0 HG11 VAL A 74 -23.355 -1.356 1.864 1.00 32.04 H new ATOM 0 HG12 VAL A 74 -22.529 -2.911 2.126 1.00 32.04 H new ATOM 0 HG13 VAL A 74 -22.321 -1.585 3.294 1.00 32.04 H new ATOM 0 HG21 VAL A 74 -22.103 0.622 1.125 1.00 72.55 H new ATOM 0 HG22 VAL A 74 -20.993 0.532 2.513 1.00 72.55 H new ATOM 0 HG23 VAL A 74 -20.346 0.544 0.855 1.00 72.55 H new ATOM 1291 N TYR A 75 -19.739 -3.979 3.085 1.00 52.15 N ATOM 1292 CA TYR A 75 -19.668 -5.378 3.389 1.00 12.15 C ATOM 1293 C TYR A 75 -20.233 -5.544 4.784 1.00 20.12 C ATOM 1294 O TYR A 75 -19.630 -5.094 5.756 1.00 4.24 O ATOM 1295 CB TYR A 75 -18.188 -5.797 3.337 1.00 34.34 C ATOM 1296 CG TYR A 75 -17.873 -7.224 3.705 1.00 64.20 C ATOM 1297 CD1 TYR A 75 -18.011 -8.246 2.785 1.00 13.11 C ATOM 1298 CD2 TYR A 75 -17.403 -7.538 4.972 1.00 62.43 C ATOM 1299 CE1 TYR A 75 -17.692 -9.547 3.114 1.00 44.34 C ATOM 1300 CE2 TYR A 75 -17.085 -8.836 5.311 1.00 23.03 C ATOM 1301 CZ TYR A 75 -17.232 -9.836 4.379 1.00 23.23 C ATOM 1302 OH TYR A 75 -16.905 -11.132 4.705 1.00 55.44 O ATOM 0 H TYR A 75 -19.528 -3.395 3.894 1.00 52.15 H new ATOM 0 HA TYR A 75 -20.228 -5.996 2.687 1.00 12.15 H new ATOM 0 HB2 TYR A 75 -17.819 -5.617 2.327 1.00 34.34 H new ATOM 0 HB3 TYR A 75 -17.626 -5.142 4.003 1.00 34.34 H new ATOM 0 HD1 TYR A 75 -18.374 -8.022 1.793 1.00 13.11 H new ATOM 0 HD2 TYR A 75 -17.284 -6.753 5.704 1.00 62.43 H new ATOM 0 HE1 TYR A 75 -17.802 -10.335 2.383 1.00 44.34 H new ATOM 0 HE2 TYR A 75 -16.723 -9.066 6.302 1.00 23.03 H new ATOM 0 HH TYR A 75 -16.596 -11.168 5.634 1.00 55.44 H new ATOM 1312 N GLU A 76 -21.400 -6.121 4.885 1.00 22.32 N ATOM 1313 CA GLU A 76 -22.061 -6.218 6.165 1.00 60.35 C ATOM 1314 C GLU A 76 -22.304 -7.650 6.555 1.00 23.02 C ATOM 1315 O GLU A 76 -23.274 -8.272 6.123 1.00 72.24 O ATOM 1316 CB GLU A 76 -23.366 -5.446 6.156 1.00 23.11 C ATOM 1317 CG GLU A 76 -23.201 -3.993 5.762 1.00 65.42 C ATOM 1318 CD GLU A 76 -24.493 -3.233 5.768 1.00 51.33 C ATOM 1319 OE1 GLU A 76 -25.282 -3.387 4.827 1.00 64.10 O ATOM 1320 OE2 GLU A 76 -24.737 -2.450 6.712 1.00 12.42 O ATOM 0 H GLU A 76 -21.913 -6.530 4.104 1.00 22.32 H new ATOM 0 HA GLU A 76 -21.398 -5.776 6.909 1.00 60.35 H new ATOM 0 HB2 GLU A 76 -24.059 -5.926 5.465 1.00 23.11 H new ATOM 0 HB3 GLU A 76 -23.817 -5.497 7.147 1.00 23.11 H new ATOM 0 HG2 GLU A 76 -22.501 -3.514 6.447 1.00 65.42 H new ATOM 0 HG3 GLU A 76 -22.760 -3.940 4.767 1.00 65.42 H new ATOM 1327 N GLU A 77 -21.404 -8.162 7.331 1.00 21.44 N ATOM 1328 CA GLU A 77 -21.472 -9.510 7.844 1.00 61.52 C ATOM 1329 C GLU A 77 -21.371 -9.455 9.351 1.00 34.14 C ATOM 1330 O GLU A 77 -20.230 -9.401 9.876 1.00 37.26 O ATOM 1331 CB GLU A 77 -20.350 -10.386 7.267 1.00 23.04 C ATOM 1332 CG GLU A 77 -20.417 -10.601 5.761 1.00 32.02 C ATOM 1333 CD GLU A 77 -21.677 -11.312 5.325 1.00 24.55 C ATOM 1334 OE1 GLU A 77 -21.815 -12.509 5.610 1.00 34.21 O ATOM 1335 OE2 GLU A 77 -22.533 -10.697 4.660 1.00 54.23 O ATOM 1336 OXT GLU A 77 -22.421 -9.417 10.020 1.00 37.26 O ATOM 0 H GLU A 77 -20.578 -7.649 7.638 1.00 21.44 H new ATOM 0 HA GLU A 77 -22.420 -9.958 7.545 1.00 61.52 H new ATOM 0 HB2 GLU A 77 -19.390 -9.931 7.512 1.00 23.04 H new ATOM 0 HB3 GLU A 77 -20.377 -11.358 7.760 1.00 23.04 H new ATOM 0 HG2 GLU A 77 -20.358 -9.636 5.258 1.00 32.02 H new ATOM 0 HG3 GLU A 77 -19.550 -11.180 5.443 1.00 32.02 H new TER 1343 GLU A 77