USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 797 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 53 GLN : amide:sc= -3.2! C(o=-12!,f=-12!) USER MOD Set 1.2: A 69 GLN : amide:sc= -8.9! C(o=-12!,f=-21!) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -10.4! C(o=-11!,f=-14!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -118:sc= -0.378 (180deg=-0.355) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.00642) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 77:sc= -0.465 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -64:sc= 0.745 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.185 (180deg=-0.692) USER MOD Single : A 34 CYS SG : rot 159:sc= -6.95! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= -0.0948 (180deg=-0.636) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= -1.97! (180deg=-3.56!) USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= -2.08 (180deg=-4.11!) USER MOD Single : A 56 SER OG : rot -84:sc= 0.581 USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -3.66 (180deg=-4.38!) USER MOD Single : A 70 ASN : amide:sc= -10.4! C(o=-10!,f=-23!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 90:sc= 1.19 USER MOD Single : A 83 THR OG1 : rot 122:sc= -1.68 USER MOD Single : A 84 LYS NZ :NH3+ 159:sc=-0.00855 (180deg=-0.633) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 1.54 (180deg=1.47) USER MOD Single : A 106 MET CE :methyl -169:sc= -3.86! (180deg=-4.02!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 5.919 -3.584 -0.660 1.00 33.15 N ATOM 30 CA ALA A 2 6.915 -4.200 0.200 1.00 30.41 C ATOM 31 C ALA A 2 7.094 -5.665 -0.203 1.00 63.34 C ATOM 32 O ALA A 2 8.212 -6.109 -0.464 1.00 14.11 O ATOM 33 CB ALA A 2 6.493 -4.046 1.663 1.00 44.03 C ATOM 0 HA ALA A 2 7.879 -3.705 0.085 1.00 30.41 H new ATOM 0 HB1 ALA A 2 7.240 -4.508 2.308 1.00 44.03 H new ATOM 0 HB2 ALA A 2 6.408 -2.987 1.908 1.00 44.03 H new ATOM 0 HB3 ALA A 2 5.530 -4.533 1.817 1.00 44.03 H new ATOM 39 N PHE A 3 5.977 -6.376 -0.243 1.00 31.14 N ATOM 40 CA PHE A 3 5.997 -7.782 -0.610 1.00 14.11 C ATOM 41 C PHE A 3 6.714 -7.990 -1.945 1.00 42.42 C ATOM 42 O PHE A 3 7.147 -9.098 -2.255 1.00 70.54 O ATOM 43 CB PHE A 3 4.540 -8.227 -0.753 1.00 31.23 C ATOM 44 CG PHE A 3 3.932 -8.790 0.534 1.00 64.43 C ATOM 45 CD1 PHE A 3 2.924 -8.125 1.158 1.00 51.33 C ATOM 46 CD2 PHE A 3 4.401 -9.957 1.053 1.00 1.42 C ATOM 47 CE1 PHE A 3 2.360 -8.647 2.352 1.00 62.34 C ATOM 48 CE2 PHE A 3 3.837 -10.479 2.247 1.00 24.22 C ATOM 49 CZ PHE A 3 2.829 -9.813 2.871 1.00 32.52 C ATOM 0 H PHE A 3 5.052 -6.005 -0.027 1.00 31.14 H new ATOM 0 HA PHE A 3 6.526 -8.357 0.150 1.00 14.11 H new ATOM 0 HB2 PHE A 3 3.942 -7.378 -1.084 1.00 31.23 H new ATOM 0 HB3 PHE A 3 4.477 -8.985 -1.534 1.00 31.23 H new ATOM 0 HD1 PHE A 3 2.552 -7.199 0.745 1.00 51.33 H new ATOM 0 HD2 PHE A 3 5.202 -10.486 0.557 1.00 1.42 H new ATOM 0 HE1 PHE A 3 1.559 -8.118 2.848 1.00 62.34 H new ATOM 0 HE2 PHE A 3 4.209 -11.405 2.660 1.00 24.22 H new ATOM 0 HZ PHE A 3 2.401 -10.210 3.779 1.00 32.52 H new ATOM 59 N ALA A 4 6.818 -6.905 -2.700 1.00 24.55 N ATOM 60 CA ALA A 4 7.476 -6.955 -3.994 1.00 41.13 C ATOM 61 C ALA A 4 8.753 -7.791 -3.881 1.00 55.04 C ATOM 62 O ALA A 4 9.188 -8.400 -4.857 1.00 71.50 O ATOM 63 CB ALA A 4 7.753 -5.531 -4.481 1.00 72.12 C ATOM 0 H ALA A 4 6.458 -5.987 -2.440 1.00 24.55 H new ATOM 0 HA ALA A 4 6.833 -7.434 -4.733 1.00 41.13 H new ATOM 0 HB1 ALA A 4 8.247 -5.568 -5.452 1.00 72.12 H new ATOM 0 HB2 ALA A 4 6.812 -4.988 -4.573 1.00 72.12 H new ATOM 0 HB3 ALA A 4 8.398 -5.021 -3.765 1.00 72.12 H new ATOM 69 N SER A 5 9.316 -7.793 -2.682 1.00 44.25 N ATOM 70 CA SER A 5 10.534 -8.544 -2.429 1.00 62.04 C ATOM 71 C SER A 5 10.205 -9.841 -1.687 1.00 14.51 C ATOM 72 O SER A 5 10.726 -10.902 -2.023 1.00 24.51 O ATOM 73 CB SER A 5 11.537 -7.713 -1.627 1.00 1.03 C ATOM 74 OG SER A 5 12.875 -8.169 -1.808 1.00 71.32 O ATOM 0 H SER A 5 8.951 -7.287 -1.875 1.00 44.25 H new ATOM 0 HA SER A 5 10.991 -8.788 -3.388 1.00 62.04 H new ATOM 0 HB2 SER A 5 11.466 -6.668 -1.930 1.00 1.03 H new ATOM 0 HB3 SER A 5 11.279 -7.756 -0.569 1.00 1.03 H new ATOM 0 HG SER A 5 13.485 -7.612 -1.281 1.00 71.32 H new ATOM 80 N VAL A 6 9.340 -9.711 -0.691 1.00 62.11 N ATOM 81 CA VAL A 6 8.935 -10.859 0.102 1.00 73.21 C ATOM 82 C VAL A 6 8.199 -11.858 -0.794 1.00 10.12 C ATOM 83 O VAL A 6 8.657 -12.984 -0.980 1.00 72.34 O ATOM 84 CB VAL A 6 8.098 -10.400 1.298 1.00 4.00 C ATOM 85 CG1 VAL A 6 7.866 -11.551 2.279 1.00 61.03 C ATOM 86 CG2 VAL A 6 8.752 -9.207 1.998 1.00 52.41 C ATOM 0 H VAL A 6 8.909 -8.829 -0.416 1.00 62.11 H new ATOM 0 HA VAL A 6 9.808 -11.369 0.510 1.00 73.21 H new ATOM 0 HB VAL A 6 7.126 -10.078 0.923 1.00 4.00 H new ATOM 0 HG11 VAL A 6 7.269 -11.198 3.120 1.00 61.03 H new ATOM 0 HG12 VAL A 6 7.338 -12.359 1.773 1.00 61.03 H new ATOM 0 HG13 VAL A 6 8.826 -11.917 2.644 1.00 61.03 H new ATOM 0 HG21 VAL A 6 8.137 -8.900 2.844 1.00 52.41 H new ATOM 0 HG22 VAL A 6 9.742 -9.492 2.353 1.00 52.41 H new ATOM 0 HG23 VAL A 6 8.843 -8.378 1.296 1.00 52.41 H new ATOM 96 N LEU A 7 7.071 -11.409 -1.324 1.00 71.02 N ATOM 97 CA LEU A 7 6.267 -12.249 -2.196 1.00 24.33 C ATOM 98 C LEU A 7 6.405 -11.759 -3.638 1.00 53.34 C ATOM 99 O LEU A 7 7.168 -10.834 -3.913 1.00 55.33 O ATOM 100 CB LEU A 7 4.821 -12.306 -1.701 1.00 32.14 C ATOM 101 CG LEU A 7 4.611 -12.907 -0.309 1.00 63.22 C ATOM 102 CD1 LEU A 7 3.241 -12.524 0.253 1.00 41.20 C ATOM 103 CD2 LEU A 7 4.819 -14.423 -0.330 1.00 13.12 C ATOM 0 H LEU A 7 6.694 -10.474 -1.167 1.00 71.02 H new ATOM 0 HA LEU A 7 6.628 -13.277 -2.173 1.00 24.33 H new ATOM 0 HB2 LEU A 7 4.417 -11.294 -1.702 1.00 32.14 H new ATOM 0 HB3 LEU A 7 4.236 -12.884 -2.416 1.00 32.14 H new ATOM 0 HG LEU A 7 5.362 -12.488 0.361 1.00 63.22 H new ATOM 0 HD11 LEU A 7 3.118 -12.964 1.243 1.00 41.20 H new ATOM 0 HD12 LEU A 7 3.168 -11.439 0.327 1.00 41.20 H new ATOM 0 HD13 LEU A 7 2.459 -12.896 -0.409 1.00 41.20 H new ATOM 0 HD21 LEU A 7 4.664 -14.825 0.671 1.00 13.12 H new ATOM 0 HD22 LEU A 7 4.107 -14.878 -1.018 1.00 13.12 H new ATOM 0 HD23 LEU A 7 5.834 -14.646 -0.658 1.00 13.12 H new ATOM 115 N LYS A 8 5.654 -12.400 -4.522 1.00 22.21 N ATOM 116 CA LYS A 8 5.683 -12.041 -5.929 1.00 54.34 C ATOM 117 C LYS A 8 4.639 -10.954 -6.195 1.00 1.31 C ATOM 118 O LYS A 8 3.438 -11.207 -6.111 1.00 64.11 O ATOM 119 CB LYS A 8 5.511 -13.285 -6.804 1.00 11.43 C ATOM 120 CG LYS A 8 6.453 -14.404 -6.356 1.00 12.04 C ATOM 121 CD LYS A 8 5.873 -15.163 -5.160 1.00 51.14 C ATOM 122 CE LYS A 8 6.289 -16.635 -5.192 1.00 12.05 C ATOM 123 NZ LYS A 8 7.742 -16.768 -4.942 1.00 35.50 N ATOM 0 H LYS A 8 5.022 -13.166 -4.290 1.00 22.21 H new ATOM 0 HA LYS A 8 6.654 -11.624 -6.195 1.00 54.34 H new ATOM 0 HB2 LYS A 8 4.479 -13.631 -6.752 1.00 11.43 H new ATOM 0 HB3 LYS A 8 5.710 -13.032 -7.845 1.00 11.43 H new ATOM 0 HG2 LYS A 8 6.622 -15.095 -7.182 1.00 12.04 H new ATOM 0 HG3 LYS A 8 7.422 -13.983 -6.089 1.00 12.04 H new ATOM 0 HD2 LYS A 8 6.216 -14.704 -4.233 1.00 51.14 H new ATOM 0 HD3 LYS A 8 4.786 -15.088 -5.170 1.00 51.14 H new ATOM 0 HE2 LYS A 8 5.732 -17.193 -4.439 1.00 12.05 H new ATOM 0 HE3 LYS A 8 6.039 -17.069 -6.160 1.00 12.05 H new ATOM 0 HZ1 LYS A 8 7.940 -17.705 -4.537 1.00 35.50 H new ATOM 0 HZ2 LYS A 8 8.260 -16.662 -5.838 1.00 35.50 H new ATOM 0 HZ3 LYS A 8 8.049 -16.031 -4.276 1.00 35.50 H new ATOM 136 N ASP A 9 5.135 -9.766 -6.510 1.00 23.24 N ATOM 137 CA ASP A 9 4.261 -8.640 -6.788 1.00 11.42 C ATOM 138 C ASP A 9 3.323 -9.000 -7.942 1.00 30.24 C ATOM 139 O ASP A 9 2.298 -8.350 -8.140 1.00 1.42 O ATOM 140 CB ASP A 9 5.066 -7.406 -7.201 1.00 63.22 C ATOM 141 CG ASP A 9 5.540 -7.401 -8.656 1.00 51.10 C ATOM 142 OD1 ASP A 9 5.546 -8.442 -9.330 1.00 15.14 O ATOM 143 OD2 ASP A 9 5.920 -6.251 -9.101 1.00 70.44 O ATOM 0 H ASP A 9 6.131 -9.559 -6.579 1.00 23.24 H new ATOM 0 HA ASP A 9 3.700 -8.417 -5.880 1.00 11.42 H new ATOM 0 HB2 ASP A 9 4.456 -6.519 -7.030 1.00 63.22 H new ATOM 0 HB3 ASP A 9 5.937 -7.324 -6.551 1.00 63.22 H new ATOM 149 N ALA A 10 3.707 -10.036 -8.673 1.00 24.13 N ATOM 150 CA ALA A 10 2.914 -10.491 -9.802 1.00 34.24 C ATOM 151 C ALA A 10 1.839 -11.461 -9.306 1.00 11.21 C ATOM 152 O ALA A 10 0.767 -11.562 -9.901 1.00 1.02 O ATOM 153 CB ALA A 10 3.832 -11.124 -10.849 1.00 74.12 C ATOM 0 H ALA A 10 4.557 -10.574 -8.505 1.00 24.13 H new ATOM 0 HA ALA A 10 2.407 -9.652 -10.278 1.00 34.24 H new ATOM 0 HB1 ALA A 10 3.237 -11.465 -11.696 1.00 74.12 H new ATOM 0 HB2 ALA A 10 4.558 -10.386 -11.190 1.00 74.12 H new ATOM 0 HB3 ALA A 10 4.356 -11.972 -10.408 1.00 74.12 H new ATOM 159 N GLU A 11 2.163 -12.149 -8.221 1.00 62.34 N ATOM 160 CA GLU A 11 1.239 -13.107 -7.639 1.00 31.40 C ATOM 161 C GLU A 11 0.293 -12.406 -6.662 1.00 25.24 C ATOM 162 O GLU A 11 -0.921 -12.414 -6.854 1.00 54.11 O ATOM 163 CB GLU A 11 1.992 -14.247 -6.951 1.00 23.34 C ATOM 164 CG GLU A 11 2.896 -14.984 -7.941 1.00 71.22 C ATOM 165 CD GLU A 11 2.077 -15.895 -8.858 1.00 33.33 C ATOM 166 OE1 GLU A 11 0.896 -16.155 -8.579 1.00 45.15 O ATOM 167 OE2 GLU A 11 2.708 -16.338 -9.892 1.00 32.21 O ATOM 0 H GLU A 11 3.053 -12.062 -7.730 1.00 62.34 H new ATOM 0 HA GLU A 11 0.644 -13.542 -8.442 1.00 31.40 H new ATOM 0 HB2 GLU A 11 2.592 -13.849 -6.132 1.00 23.34 H new ATOM 0 HB3 GLU A 11 1.279 -14.946 -6.514 1.00 23.34 H new ATOM 0 HG2 GLU A 11 3.450 -14.262 -8.541 1.00 71.22 H new ATOM 0 HG3 GLU A 11 3.631 -15.576 -7.396 1.00 71.22 H new ATOM 175 N VAL A 12 0.887 -11.817 -5.634 1.00 53.30 N ATOM 176 CA VAL A 12 0.113 -11.112 -4.626 1.00 75.32 C ATOM 177 C VAL A 12 -1.029 -10.353 -5.305 1.00 10.31 C ATOM 178 O VAL A 12 -2.185 -10.474 -4.903 1.00 73.13 O ATOM 179 CB VAL A 12 1.028 -10.204 -3.803 1.00 23.43 C ATOM 180 CG1 VAL A 12 2.271 -10.962 -3.331 1.00 32.04 C ATOM 181 CG2 VAL A 12 1.416 -8.954 -4.594 1.00 43.14 C ATOM 0 H VAL A 12 1.895 -11.814 -5.478 1.00 53.30 H new ATOM 0 HA VAL A 12 -0.336 -11.818 -3.927 1.00 75.32 H new ATOM 0 HB VAL A 12 0.475 -9.883 -2.920 1.00 23.43 H new ATOM 0 HG11 VAL A 12 2.905 -10.294 -2.748 1.00 32.04 H new ATOM 0 HG12 VAL A 12 1.969 -11.807 -2.712 1.00 32.04 H new ATOM 0 HG13 VAL A 12 2.826 -11.326 -4.196 1.00 32.04 H new ATOM 0 HG21 VAL A 12 2.067 -8.326 -3.986 1.00 43.14 H new ATOM 0 HG22 VAL A 12 1.941 -9.247 -5.503 1.00 43.14 H new ATOM 0 HG23 VAL A 12 0.517 -8.397 -4.858 1.00 43.14 H new ATOM 191 N THR A 13 -0.665 -9.586 -6.322 1.00 65.11 N ATOM 192 CA THR A 13 -1.644 -8.807 -7.061 1.00 2.25 C ATOM 193 C THR A 13 -2.841 -9.679 -7.443 1.00 32.15 C ATOM 194 O THR A 13 -3.987 -9.312 -7.188 1.00 73.31 O ATOM 195 CB THR A 13 -0.939 -8.181 -8.266 1.00 23.14 C ATOM 196 OG1 THR A 13 -1.641 -6.961 -8.484 1.00 10.44 O ATOM 197 CG2 THR A 13 -1.164 -8.976 -9.554 1.00 11.25 C ATOM 0 H THR A 13 0.295 -9.487 -6.652 1.00 65.11 H new ATOM 0 HA THR A 13 -2.051 -8.001 -6.450 1.00 2.25 H new ATOM 0 HB THR A 13 0.130 -8.111 -8.065 1.00 23.14 H new ATOM 0 HG1 THR A 13 -1.248 -6.489 -9.248 1.00 10.44 H new ATOM 0 HG21 THR A 13 -0.643 -8.489 -10.378 1.00 11.25 H new ATOM 0 HG22 THR A 13 -0.779 -9.988 -9.429 1.00 11.25 H new ATOM 0 HG23 THR A 13 -2.231 -9.018 -9.774 1.00 11.25 H new ATOM 205 N ALA A 14 -2.534 -10.817 -8.047 1.00 73.33 N ATOM 206 CA ALA A 14 -3.571 -11.745 -8.467 1.00 10.01 C ATOM 207 C ALA A 14 -4.381 -12.184 -7.246 1.00 33.03 C ATOM 208 O ALA A 14 -5.585 -12.415 -7.346 1.00 33.35 O ATOM 209 CB ALA A 14 -2.933 -12.927 -9.199 1.00 24.22 C ATOM 0 H ALA A 14 -1.582 -11.118 -8.256 1.00 73.33 H new ATOM 0 HA ALA A 14 -4.258 -11.263 -9.163 1.00 10.01 H new ATOM 0 HB1 ALA A 14 -3.711 -13.623 -9.514 1.00 24.22 H new ATOM 0 HB2 ALA A 14 -2.394 -12.565 -10.074 1.00 24.22 H new ATOM 0 HB3 ALA A 14 -2.239 -13.437 -8.531 1.00 24.22 H new ATOM 215 N ALA A 15 -3.688 -12.286 -6.121 1.00 54.30 N ATOM 216 CA ALA A 15 -4.329 -12.693 -4.882 1.00 5.12 C ATOM 217 C ALA A 15 -5.182 -11.539 -4.351 1.00 30.53 C ATOM 218 O ALA A 15 -6.139 -11.760 -3.610 1.00 72.44 O ATOM 219 CB ALA A 15 -3.263 -13.139 -3.879 1.00 64.20 C ATOM 0 H ALA A 15 -2.689 -12.094 -6.042 1.00 54.30 H new ATOM 0 HA ALA A 15 -4.992 -13.541 -5.053 1.00 5.12 H new ATOM 0 HB1 ALA A 15 -3.743 -13.444 -2.949 1.00 64.20 H new ATOM 0 HB2 ALA A 15 -2.704 -13.979 -4.292 1.00 64.20 H new ATOM 0 HB3 ALA A 15 -2.581 -12.312 -3.681 1.00 64.20 H new ATOM 225 N LEU A 16 -4.804 -10.334 -4.750 1.00 15.25 N ATOM 226 CA LEU A 16 -5.523 -9.145 -4.323 1.00 73.20 C ATOM 227 C LEU A 16 -6.849 -9.057 -5.081 1.00 52.34 C ATOM 228 O LEU A 16 -7.886 -8.751 -4.494 1.00 25.35 O ATOM 229 CB LEU A 16 -4.643 -7.903 -4.476 1.00 32.01 C ATOM 230 CG LEU A 16 -3.725 -7.582 -3.295 1.00 20.11 C ATOM 231 CD1 LEU A 16 -2.511 -6.770 -3.749 1.00 41.33 C ATOM 232 CD2 LEU A 16 -4.497 -6.882 -2.175 1.00 2.51 C ATOM 0 H LEU A 16 -4.010 -10.155 -5.364 1.00 15.25 H new ATOM 0 HA LEU A 16 -5.765 -9.206 -3.262 1.00 73.20 H new ATOM 0 HB2 LEU A 16 -4.027 -8.026 -5.367 1.00 32.01 H new ATOM 0 HB3 LEU A 16 -5.290 -7.043 -4.652 1.00 32.01 H new ATOM 0 HG LEU A 16 -3.350 -8.521 -2.889 1.00 20.11 H new ATOM 0 HD11 LEU A 16 -1.875 -6.555 -2.890 1.00 41.33 H new ATOM 0 HD12 LEU A 16 -1.946 -7.341 -4.485 1.00 41.33 H new ATOM 0 HD13 LEU A 16 -2.846 -5.834 -4.195 1.00 41.33 H new ATOM 0 HD21 LEU A 16 -3.821 -6.665 -1.348 1.00 2.51 H new ATOM 0 HD22 LEU A 16 -4.920 -5.951 -2.552 1.00 2.51 H new ATOM 0 HD23 LEU A 16 -5.301 -7.531 -1.826 1.00 2.51 H new ATOM 244 N ASP A 17 -6.773 -9.329 -6.376 1.00 31.43 N ATOM 245 CA ASP A 17 -7.954 -9.284 -7.221 1.00 33.43 C ATOM 246 C ASP A 17 -8.817 -10.518 -6.950 1.00 32.51 C ATOM 247 O ASP A 17 -9.994 -10.548 -7.306 1.00 12.42 O ATOM 248 CB ASP A 17 -7.572 -9.291 -8.702 1.00 53.52 C ATOM 249 CG ASP A 17 -8.610 -8.671 -9.640 1.00 51.12 C ATOM 250 OD1 ASP A 17 -9.215 -9.365 -10.471 1.00 14.14 O ATOM 251 OD2 ASP A 17 -8.791 -7.402 -9.492 1.00 25.23 O ATOM 0 H ASP A 17 -5.912 -9.581 -6.860 1.00 31.43 H new ATOM 0 HA ASP A 17 -8.497 -8.367 -6.993 1.00 33.43 H new ATOM 0 HB2 ASP A 17 -6.630 -8.755 -8.821 1.00 53.52 H new ATOM 0 HB3 ASP A 17 -7.394 -10.321 -9.011 1.00 53.52 H new ATOM 257 N GLY A 18 -8.198 -11.508 -6.322 1.00 52.43 N ATOM 258 CA GLY A 18 -8.895 -12.741 -6.000 1.00 21.34 C ATOM 259 C GLY A 18 -9.884 -12.528 -4.852 1.00 21.42 C ATOM 260 O GLY A 18 -10.622 -13.442 -4.486 1.00 3.01 O ATOM 0 H GLY A 18 -7.222 -11.481 -6.028 1.00 52.43 H new ATOM 0 HA2 GLY A 18 -9.426 -13.103 -6.880 1.00 21.34 H new ATOM 0 HA3 GLY A 18 -8.173 -13.510 -5.725 1.00 21.34 H new ATOM 264 N CYS A 19 -9.867 -11.317 -4.316 1.00 11.13 N ATOM 265 CA CYS A 19 -10.753 -10.972 -3.217 1.00 34.30 C ATOM 266 C CYS A 19 -11.293 -9.562 -3.460 1.00 12.55 C ATOM 267 O CYS A 19 -11.669 -8.866 -2.517 1.00 24.11 O ATOM 268 CB CYS A 19 -10.049 -11.089 -1.864 1.00 24.00 C ATOM 269 SG CYS A 19 -8.947 -12.550 -1.856 1.00 71.31 S ATOM 0 H CYS A 19 -9.253 -10.562 -4.622 1.00 11.13 H new ATOM 0 HA CYS A 19 -11.584 -11.677 -3.181 1.00 34.30 H new ATOM 0 HB2 CYS A 19 -9.471 -10.186 -1.666 1.00 24.00 H new ATOM 0 HB3 CYS A 19 -10.787 -11.176 -1.067 1.00 24.00 H new ATOM 0 HG CYS A 19 -7.863 -12.280 -2.521 1.00 71.31 H new ATOM 275 N LYS A 20 -11.315 -9.181 -4.728 1.00 51.23 N ATOM 276 CA LYS A 20 -11.803 -7.865 -5.107 1.00 22.33 C ATOM 277 C LYS A 20 -13.262 -7.722 -4.670 1.00 72.32 C ATOM 278 O LYS A 20 -13.642 -6.710 -4.083 1.00 61.22 O ATOM 279 CB LYS A 20 -11.581 -7.621 -6.601 1.00 1.14 C ATOM 280 CG LYS A 20 -12.441 -8.564 -7.444 1.00 60.22 C ATOM 281 CD LYS A 20 -12.050 -8.489 -8.922 1.00 13.54 C ATOM 282 CE LYS A 20 -12.593 -9.692 -9.694 1.00 61.34 C ATOM 283 NZ LYS A 20 -14.048 -9.549 -9.922 1.00 33.13 N ATOM 0 H LYS A 20 -11.003 -9.760 -5.507 1.00 51.23 H new ATOM 0 HA LYS A 20 -11.238 -7.087 -4.594 1.00 22.33 H new ATOM 0 HB2 LYS A 20 -11.824 -6.587 -6.844 1.00 1.14 H new ATOM 0 HB3 LYS A 20 -10.529 -7.767 -6.845 1.00 1.14 H new ATOM 0 HG2 LYS A 20 -12.325 -9.587 -7.085 1.00 60.22 H new ATOM 0 HG3 LYS A 20 -13.493 -8.303 -7.329 1.00 60.22 H new ATOM 0 HD2 LYS A 20 -12.437 -7.568 -9.358 1.00 13.54 H new ATOM 0 HD3 LYS A 20 -10.964 -8.454 -9.013 1.00 13.54 H new ATOM 0 HE2 LYS A 20 -12.076 -9.781 -10.650 1.00 61.34 H new ATOM 0 HE3 LYS A 20 -12.395 -10.608 -9.138 1.00 61.34 H new ATOM 0 HZ1 LYS A 20 -14.400 -10.375 -10.447 1.00 33.13 H new ATOM 0 HZ2 LYS A 20 -14.538 -9.486 -9.007 1.00 33.13 H new ATOM 0 HZ3 LYS A 20 -14.230 -8.685 -10.472 1.00 33.13 H new ATOM 296 N ALA A 21 -14.041 -8.750 -4.974 1.00 23.43 N ATOM 297 CA ALA A 21 -15.450 -8.752 -4.620 1.00 71.01 C ATOM 298 C ALA A 21 -15.592 -8.935 -3.108 1.00 22.43 C ATOM 299 O ALA A 21 -15.140 -9.937 -2.555 1.00 61.23 O ATOM 300 CB ALA A 21 -16.174 -9.844 -5.410 1.00 64.41 C ATOM 0 H ALA A 21 -13.723 -9.587 -5.462 1.00 23.43 H new ATOM 0 HA ALA A 21 -15.912 -7.800 -4.881 1.00 71.01 H new ATOM 0 HB1 ALA A 21 -17.231 -9.845 -5.144 1.00 64.41 H new ATOM 0 HB2 ALA A 21 -16.069 -9.651 -6.478 1.00 64.41 H new ATOM 0 HB3 ALA A 21 -15.739 -10.815 -5.172 1.00 64.41 H new ATOM 306 N ALA A 22 -16.221 -7.952 -2.481 1.00 71.20 N ATOM 307 CA ALA A 22 -16.428 -7.993 -1.043 1.00 40.53 C ATOM 308 C ALA A 22 -17.301 -9.199 -0.692 1.00 11.33 C ATOM 309 O ALA A 22 -18.249 -9.514 -1.410 1.00 24.11 O ATOM 310 CB ALA A 22 -17.044 -6.671 -0.579 1.00 32.41 C ATOM 0 H ALA A 22 -16.594 -7.122 -2.942 1.00 71.20 H new ATOM 0 HA ALA A 22 -15.478 -8.111 -0.521 1.00 40.53 H new ATOM 0 HB1 ALA A 22 -17.200 -6.701 0.499 1.00 32.41 H new ATOM 0 HB2 ALA A 22 -16.371 -5.850 -0.826 1.00 32.41 H new ATOM 0 HB3 ALA A 22 -18.000 -6.520 -1.080 1.00 32.41 H new ATOM 316 N GLY A 23 -16.951 -9.840 0.413 1.00 22.42 N ATOM 317 CA GLY A 23 -17.691 -11.005 0.869 1.00 63.01 C ATOM 318 C GLY A 23 -17.099 -12.292 0.290 1.00 40.33 C ATOM 319 O GLY A 23 -17.259 -13.367 0.866 1.00 42.24 O ATOM 0 H GLY A 23 -16.165 -9.575 1.006 1.00 22.42 H new ATOM 0 HA2 GLY A 23 -17.672 -11.049 1.958 1.00 63.01 H new ATOM 0 HA3 GLY A 23 -18.736 -10.916 0.572 1.00 63.01 H new ATOM 323 N SER A 24 -16.428 -12.139 -0.842 1.00 63.33 N ATOM 324 CA SER A 24 -15.811 -13.276 -1.506 1.00 14.33 C ATOM 325 C SER A 24 -14.324 -13.344 -1.153 1.00 50.22 C ATOM 326 O SER A 24 -13.559 -14.051 -1.808 1.00 10.53 O ATOM 327 CB SER A 24 -15.994 -13.194 -3.022 1.00 52.45 C ATOM 328 OG SER A 24 -14.898 -12.541 -3.658 1.00 11.03 O ATOM 0 H SER A 24 -16.298 -11.246 -1.317 1.00 63.33 H new ATOM 0 HA SER A 24 -16.302 -14.184 -1.157 1.00 14.33 H new ATOM 0 HB2 SER A 24 -16.103 -14.199 -3.429 1.00 52.45 H new ATOM 0 HB3 SER A 24 -16.916 -12.658 -3.247 1.00 52.45 H new ATOM 0 HG SER A 24 -14.858 -11.607 -3.364 1.00 11.03 H new ATOM 334 N PHE A 25 -13.959 -12.599 -0.120 1.00 21.42 N ATOM 335 CA PHE A 25 -12.577 -12.566 0.328 1.00 61.44 C ATOM 336 C PHE A 25 -12.314 -13.648 1.378 1.00 54.14 C ATOM 337 O PHE A 25 -13.197 -13.977 2.169 1.00 3.31 O ATOM 338 CB PHE A 25 -12.344 -11.192 0.959 1.00 62.33 C ATOM 339 CG PHE A 25 -11.152 -11.142 1.917 1.00 12.21 C ATOM 340 CD1 PHE A 25 -11.289 -11.584 3.196 1.00 61.21 C ATOM 341 CD2 PHE A 25 -9.956 -10.654 1.490 1.00 35.33 C ATOM 342 CE1 PHE A 25 -10.183 -11.537 4.085 1.00 31.24 C ATOM 343 CE2 PHE A 25 -8.851 -10.607 2.380 1.00 64.31 C ATOM 344 CZ PHE A 25 -8.987 -11.050 3.659 1.00 53.23 C ATOM 0 H PHE A 25 -14.596 -12.013 0.420 1.00 21.42 H new ATOM 0 HA PHE A 25 -11.909 -12.746 -0.514 1.00 61.44 H new ATOM 0 HB2 PHE A 25 -12.191 -10.460 0.166 1.00 62.33 H new ATOM 0 HB3 PHE A 25 -13.243 -10.894 1.498 1.00 62.33 H new ATOM 0 HD1 PHE A 25 -12.239 -11.971 3.535 1.00 61.21 H new ATOM 0 HD2 PHE A 25 -9.847 -10.303 0.475 1.00 35.33 H new ATOM 0 HE1 PHE A 25 -10.292 -11.888 5.100 1.00 31.24 H new ATOM 0 HE2 PHE A 25 -7.902 -10.219 2.041 1.00 64.31 H new ATOM 0 HZ PHE A 25 -8.146 -11.015 4.335 1.00 53.23 H new ATOM 354 N ASP A 26 -11.097 -14.171 1.351 1.00 55.04 N ATOM 355 CA ASP A 26 -10.708 -15.209 2.290 1.00 2.53 C ATOM 356 C ASP A 26 -9.238 -15.019 2.672 1.00 72.34 C ATOM 357 O ASP A 26 -8.378 -14.897 1.801 1.00 51.41 O ATOM 358 CB ASP A 26 -10.860 -16.599 1.670 1.00 10.30 C ATOM 359 CG ASP A 26 -12.200 -17.286 1.944 1.00 45.34 C ATOM 360 OD1 ASP A 26 -12.847 -17.812 1.026 1.00 43.31 O ATOM 361 OD2 ASP A 26 -12.580 -17.267 3.176 1.00 21.31 O ATOM 0 H ASP A 26 -10.368 -13.895 0.694 1.00 55.04 H new ATOM 0 HA ASP A 26 -11.355 -15.133 3.164 1.00 2.53 H new ATOM 0 HB2 ASP A 26 -10.725 -16.516 0.592 1.00 10.30 H new ATOM 0 HB3 ASP A 26 -10.059 -17.237 2.043 1.00 10.30 H new ATOM 367 N HIS A 27 -8.995 -15.002 3.974 1.00 55.30 N ATOM 368 CA HIS A 27 -7.645 -14.830 4.481 1.00 2.43 C ATOM 369 C HIS A 27 -6.817 -16.078 4.170 1.00 22.14 C ATOM 370 O HIS A 27 -5.833 -16.008 3.436 1.00 43.22 O ATOM 371 CB HIS A 27 -7.664 -14.487 5.972 1.00 31.03 C ATOM 372 CG HIS A 27 -8.556 -15.385 6.797 1.00 5.51 C ATOM 373 ND1 HIS A 27 -8.156 -16.632 7.244 1.00 0.12 N ATOM 374 CD2 HIS A 27 -9.829 -15.202 7.251 1.00 23.23 C ATOM 375 CE1 HIS A 27 -9.152 -17.168 7.934 1.00 0.54 C ATOM 376 NE2 HIS A 27 -10.188 -16.280 7.937 1.00 21.23 N ATOM 0 H HIS A 27 -9.711 -15.105 4.693 1.00 55.30 H new ATOM 0 HA HIS A 27 -7.169 -13.987 3.980 1.00 2.43 H new ATOM 0 HB2 HIS A 27 -6.647 -14.545 6.361 1.00 31.03 H new ATOM 0 HB3 HIS A 27 -7.993 -13.455 6.093 1.00 31.03 H new ATOM 0 HD2 HIS A 27 -10.441 -14.328 7.081 1.00 23.23 H new ATOM 0 HE1 HIS A 27 -9.145 -18.137 8.410 1.00 0.54 H new ATOM 0 HE2 HIS A 27 -11.090 -16.421 8.392 1.00 21.23 H new ATOM 384 N LYS A 28 -7.246 -17.192 4.745 1.00 12.12 N ATOM 385 CA LYS A 28 -6.557 -18.454 4.539 1.00 61.31 C ATOM 386 C LYS A 28 -6.288 -18.645 3.045 1.00 74.42 C ATOM 387 O LYS A 28 -5.227 -19.133 2.659 1.00 40.44 O ATOM 388 CB LYS A 28 -7.342 -19.603 5.175 1.00 61.54 C ATOM 389 CG LYS A 28 -7.064 -19.692 6.677 1.00 75.03 C ATOM 390 CD LYS A 28 -7.367 -21.094 7.208 1.00 33.44 C ATOM 391 CE LYS A 28 -8.870 -21.288 7.419 1.00 33.11 C ATOM 392 NZ LYS A 28 -9.343 -20.474 8.561 1.00 24.03 N ATOM 0 H LYS A 28 -8.063 -17.246 5.354 1.00 12.12 H new ATOM 0 HA LYS A 28 -5.588 -18.446 5.039 1.00 61.31 H new ATOM 0 HB2 LYS A 28 -8.409 -19.456 5.007 1.00 61.54 H new ATOM 0 HB3 LYS A 28 -7.070 -20.543 4.695 1.00 61.54 H new ATOM 0 HG2 LYS A 28 -6.021 -19.442 6.873 1.00 75.03 H new ATOM 0 HG3 LYS A 28 -7.672 -18.959 7.207 1.00 75.03 H new ATOM 0 HD2 LYS A 28 -6.995 -21.841 6.506 1.00 33.44 H new ATOM 0 HD3 LYS A 28 -6.841 -21.252 8.149 1.00 33.44 H new ATOM 0 HE2 LYS A 28 -9.409 -21.005 6.515 1.00 33.11 H new ATOM 0 HE3 LYS A 28 -9.085 -22.341 7.602 1.00 33.11 H new ATOM 0 HZ1 LYS A 28 -9.721 -21.100 9.301 1.00 24.03 H new ATOM 0 HZ2 LYS A 28 -8.550 -19.923 8.946 1.00 24.03 H new ATOM 0 HZ3 LYS A 28 -10.091 -19.827 8.240 1.00 24.03 H new ATOM 405 N LYS A 29 -7.268 -18.252 2.245 1.00 55.11 N ATOM 406 CA LYS A 29 -7.151 -18.374 0.802 1.00 53.23 C ATOM 407 C LYS A 29 -6.049 -17.437 0.303 1.00 53.10 C ATOM 408 O LYS A 29 -5.116 -17.873 -0.369 1.00 51.03 O ATOM 409 CB LYS A 29 -8.507 -18.140 0.132 1.00 10.34 C ATOM 410 CG LYS A 29 -9.554 -19.126 0.654 1.00 23.21 C ATOM 411 CD LYS A 29 -9.330 -20.523 0.071 1.00 43.23 C ATOM 412 CE LYS A 29 -10.510 -21.444 0.385 1.00 21.24 C ATOM 413 NZ LYS A 29 -10.068 -22.856 0.431 1.00 45.21 N ATOM 0 H LYS A 29 -8.147 -17.849 2.569 1.00 55.11 H new ATOM 0 HA LYS A 29 -6.857 -19.387 0.528 1.00 53.23 H new ATOM 0 HB2 LYS A 29 -8.838 -17.119 0.320 1.00 10.34 H new ATOM 0 HB3 LYS A 29 -8.407 -18.249 -0.948 1.00 10.34 H new ATOM 0 HG2 LYS A 29 -9.507 -19.170 1.742 1.00 23.21 H new ATOM 0 HG3 LYS A 29 -10.552 -18.775 0.392 1.00 23.21 H new ATOM 0 HD2 LYS A 29 -9.196 -20.453 -1.008 1.00 43.23 H new ATOM 0 HD3 LYS A 29 -8.413 -20.949 0.479 1.00 43.23 H new ATOM 0 HE2 LYS A 29 -10.953 -21.164 1.341 1.00 21.24 H new ATOM 0 HE3 LYS A 29 -11.284 -21.324 -0.373 1.00 21.24 H new ATOM 0 HZ1 LYS A 29 -10.881 -23.468 0.645 1.00 45.21 H new ATOM 0 HZ2 LYS A 29 -9.666 -23.124 -0.490 1.00 45.21 H new ATOM 0 HZ3 LYS A 29 -9.345 -22.970 1.170 1.00 45.21 H new ATOM 426 N PHE A 30 -6.194 -16.167 0.652 1.00 42.14 N ATOM 427 CA PHE A 30 -5.222 -15.165 0.248 1.00 53.33 C ATOM 428 C PHE A 30 -3.794 -15.683 0.425 1.00 63.21 C ATOM 429 O PHE A 30 -3.053 -15.818 -0.548 1.00 74.41 O ATOM 430 CB PHE A 30 -5.428 -13.951 1.156 1.00 41.21 C ATOM 431 CG PHE A 30 -4.921 -12.635 0.561 1.00 71.51 C ATOM 432 CD1 PHE A 30 -3.585 -12.397 0.477 1.00 63.40 C ATOM 433 CD2 PHE A 30 -5.807 -11.704 0.116 1.00 21.41 C ATOM 434 CE1 PHE A 30 -3.114 -11.177 -0.075 1.00 53.32 C ATOM 435 CE2 PHE A 30 -5.337 -10.484 -0.436 1.00 44.40 C ATOM 436 CZ PHE A 30 -4.000 -10.246 -0.520 1.00 11.50 C ATOM 0 H PHE A 30 -6.969 -15.809 1.210 1.00 42.14 H new ATOM 0 HA PHE A 30 -5.361 -14.915 -0.804 1.00 53.33 H new ATOM 0 HB2 PHE A 30 -6.491 -13.852 1.378 1.00 41.21 H new ATOM 0 HB3 PHE A 30 -4.920 -14.129 2.104 1.00 41.21 H new ATOM 0 HD1 PHE A 30 -2.882 -13.137 0.830 1.00 63.40 H new ATOM 0 HD2 PHE A 30 -6.868 -11.893 0.183 1.00 21.41 H new ATOM 0 HE1 PHE A 30 -2.053 -10.988 -0.142 1.00 53.32 H new ATOM 0 HE2 PHE A 30 -6.040 -9.745 -0.789 1.00 44.40 H new ATOM 0 HZ PHE A 30 -3.642 -9.318 -0.940 1.00 11.50 H new ATOM 446 N PHE A 31 -3.449 -15.959 1.674 1.00 32.31 N ATOM 447 CA PHE A 31 -2.122 -16.460 1.991 1.00 15.13 C ATOM 448 C PHE A 31 -1.774 -17.675 1.129 1.00 51.22 C ATOM 449 O PHE A 31 -0.601 -17.944 0.874 1.00 52.43 O ATOM 450 CB PHE A 31 -2.144 -16.882 3.462 1.00 64.44 C ATOM 451 CG PHE A 31 -2.333 -15.721 4.440 1.00 63.30 C ATOM 452 CD1 PHE A 31 -3.479 -15.623 5.165 1.00 12.10 C ATOM 453 CD2 PHE A 31 -1.354 -14.788 4.585 1.00 54.24 C ATOM 454 CE1 PHE A 31 -3.655 -14.545 6.073 1.00 63.41 C ATOM 455 CE2 PHE A 31 -1.530 -13.710 5.493 1.00 60.15 C ATOM 456 CZ PHE A 31 -2.676 -13.612 6.218 1.00 54.35 C ATOM 0 H PHE A 31 -4.065 -15.845 2.479 1.00 32.31 H new ATOM 0 HA PHE A 31 -1.377 -15.688 1.800 1.00 15.13 H new ATOM 0 HB2 PHE A 31 -2.948 -17.603 3.610 1.00 64.44 H new ATOM 0 HB3 PHE A 31 -1.210 -17.393 3.697 1.00 64.44 H new ATOM 0 HD1 PHE A 31 -4.256 -16.365 5.050 1.00 12.10 H new ATOM 0 HD2 PHE A 31 -0.443 -14.867 4.010 1.00 54.24 H new ATOM 0 HE1 PHE A 31 -4.566 -14.466 6.648 1.00 63.41 H new ATOM 0 HE2 PHE A 31 -0.753 -12.968 5.608 1.00 60.15 H new ATOM 0 HZ PHE A 31 -2.809 -12.793 6.909 1.00 54.35 H new ATOM 466 N LYS A 32 -2.814 -18.376 0.704 1.00 74.44 N ATOM 467 CA LYS A 32 -2.633 -19.556 -0.125 1.00 31.31 C ATOM 468 C LYS A 32 -2.548 -19.135 -1.593 1.00 44.12 C ATOM 469 O LYS A 32 -1.973 -19.848 -2.415 1.00 12.32 O ATOM 470 CB LYS A 32 -3.732 -20.583 0.157 1.00 22.13 C ATOM 471 CG LYS A 32 -3.284 -21.990 -0.245 1.00 10.20 C ATOM 472 CD LYS A 32 -4.489 -22.905 -0.472 1.00 51.31 C ATOM 473 CE LYS A 32 -4.041 -24.324 -0.828 1.00 42.52 C ATOM 474 NZ LYS A 32 -2.995 -24.788 0.111 1.00 51.33 N ATOM 0 H LYS A 32 -3.785 -18.150 0.918 1.00 74.44 H new ATOM 0 HA LYS A 32 -1.694 -20.052 0.120 1.00 31.31 H new ATOM 0 HB2 LYS A 32 -3.986 -20.567 1.217 1.00 22.13 H new ATOM 0 HB3 LYS A 32 -4.635 -20.314 -0.391 1.00 22.13 H new ATOM 0 HG2 LYS A 32 -2.685 -21.939 -1.154 1.00 10.20 H new ATOM 0 HG3 LYS A 32 -2.646 -22.409 0.533 1.00 10.20 H new ATOM 0 HD2 LYS A 32 -5.106 -22.929 0.426 1.00 51.31 H new ATOM 0 HD3 LYS A 32 -5.109 -22.504 -1.274 1.00 51.31 H new ATOM 0 HE2 LYS A 32 -4.895 -25.001 -0.794 1.00 42.52 H new ATOM 0 HE3 LYS A 32 -3.658 -24.346 -1.848 1.00 42.52 H new ATOM 0 HZ1 LYS A 32 -3.033 -25.824 0.188 1.00 51.33 H new ATOM 0 HZ2 LYS A 32 -2.060 -24.501 -0.242 1.00 51.33 H new ATOM 0 HZ3 LYS A 32 -3.157 -24.365 1.047 1.00 51.33 H new ATOM 487 N ALA A 33 -3.128 -17.978 -1.878 1.00 64.45 N ATOM 488 CA ALA A 33 -3.124 -17.454 -3.233 1.00 52.45 C ATOM 489 C ALA A 33 -1.798 -16.738 -3.495 1.00 44.22 C ATOM 490 O ALA A 33 -1.339 -16.669 -4.635 1.00 34.04 O ATOM 491 CB ALA A 33 -4.331 -16.534 -3.428 1.00 13.21 C ATOM 0 H ALA A 33 -3.603 -17.389 -1.194 1.00 64.45 H new ATOM 0 HA ALA A 33 -3.210 -18.264 -3.957 1.00 52.45 H new ATOM 0 HB1 ALA A 33 -4.328 -16.141 -4.445 1.00 13.21 H new ATOM 0 HB2 ALA A 33 -5.249 -17.097 -3.259 1.00 13.21 H new ATOM 0 HB3 ALA A 33 -4.277 -15.708 -2.719 1.00 13.21 H new ATOM 497 N CYS A 34 -1.218 -16.223 -2.421 1.00 2.21 N ATOM 498 CA CYS A 34 0.047 -15.515 -2.520 1.00 42.30 C ATOM 499 C CYS A 34 1.177 -16.507 -2.237 1.00 33.01 C ATOM 500 O CYS A 34 2.296 -16.333 -2.717 1.00 75.15 O ATOM 501 CB CYS A 34 0.096 -14.310 -1.578 1.00 64.01 C ATOM 502 SG CYS A 34 -1.562 -13.546 -1.452 1.00 63.01 S ATOM 0 H CYS A 34 -1.601 -16.282 -1.477 1.00 2.21 H new ATOM 0 HA CYS A 34 0.163 -15.112 -3.526 1.00 42.30 H new ATOM 0 HB2 CYS A 34 0.437 -14.623 -0.591 1.00 64.01 H new ATOM 0 HB3 CYS A 34 0.815 -13.579 -1.947 1.00 64.01 H new ATOM 0 HG CYS A 34 -1.638 -12.851 -0.356 1.00 63.01 H new ATOM 508 N GLY A 35 0.845 -17.526 -1.458 1.00 34.00 N ATOM 509 CA GLY A 35 1.817 -18.546 -1.105 1.00 62.32 C ATOM 510 C GLY A 35 2.260 -18.401 0.352 1.00 22.11 C ATOM 511 O GLY A 35 2.882 -19.305 0.909 1.00 40.33 O ATOM 0 H GLY A 35 -0.084 -17.667 -1.061 1.00 34.00 H new ATOM 0 HA2 GLY A 35 1.385 -19.534 -1.261 1.00 62.32 H new ATOM 0 HA3 GLY A 35 2.684 -18.470 -1.762 1.00 62.32 H new ATOM 515 N LEU A 36 1.922 -17.257 0.929 1.00 44.14 N ATOM 516 CA LEU A 36 2.278 -16.982 2.310 1.00 14.35 C ATOM 517 C LEU A 36 2.060 -18.243 3.149 1.00 1.32 C ATOM 518 O LEU A 36 2.744 -18.453 4.150 1.00 43.24 O ATOM 519 CB LEU A 36 1.514 -15.760 2.827 1.00 62.42 C ATOM 520 CG LEU A 36 2.139 -14.399 2.516 1.00 12.55 C ATOM 521 CD1 LEU A 36 1.070 -13.306 2.458 1.00 12.44 C ATOM 522 CD2 LEU A 36 3.248 -14.063 3.516 1.00 74.30 C ATOM 0 H LEU A 36 1.405 -16.510 0.465 1.00 44.14 H new ATOM 0 HA LEU A 36 3.335 -16.725 2.387 1.00 14.35 H new ATOM 0 HB2 LEU A 36 0.508 -15.780 2.407 1.00 62.42 H new ATOM 0 HB3 LEU A 36 1.410 -15.852 3.908 1.00 62.42 H new ATOM 0 HG LEU A 36 2.600 -14.452 1.530 1.00 12.55 H new ATOM 0 HD11 LEU A 36 1.541 -12.348 2.235 1.00 12.44 H new ATOM 0 HD12 LEU A 36 0.347 -13.545 1.678 1.00 12.44 H new ATOM 0 HD13 LEU A 36 0.560 -13.245 3.419 1.00 12.44 H new ATOM 0 HD21 LEU A 36 3.675 -13.090 3.272 1.00 74.30 H new ATOM 0 HD22 LEU A 36 2.833 -14.035 4.524 1.00 74.30 H new ATOM 0 HD23 LEU A 36 4.026 -14.824 3.465 1.00 74.30 H new ATOM 534 N SER A 37 1.105 -19.049 2.711 1.00 72.14 N ATOM 535 CA SER A 37 0.789 -20.284 3.408 1.00 15.34 C ATOM 536 C SER A 37 1.973 -21.249 3.327 1.00 51.00 C ATOM 537 O SER A 37 2.423 -21.772 4.345 1.00 4.21 O ATOM 538 CB SER A 37 -0.469 -20.936 2.831 1.00 62.43 C ATOM 539 OG SER A 37 -0.420 -22.358 2.916 1.00 21.05 O ATOM 0 H SER A 37 0.539 -18.871 1.881 1.00 72.14 H new ATOM 0 HA SER A 37 0.594 -20.046 4.454 1.00 15.34 H new ATOM 0 HB2 SER A 37 -1.345 -20.571 3.367 1.00 62.43 H new ATOM 0 HB3 SER A 37 -0.586 -20.639 1.789 1.00 62.43 H new ATOM 0 HG SER A 37 -1.241 -22.737 2.539 1.00 21.05 H new ATOM 545 N GLY A 38 2.443 -21.456 2.106 1.00 44.02 N ATOM 546 CA GLY A 38 3.567 -22.349 1.878 1.00 33.11 C ATOM 547 C GLY A 38 4.897 -21.623 2.091 1.00 35.15 C ATOM 548 O GLY A 38 5.962 -22.190 1.856 1.00 23.42 O ATOM 0 H GLY A 38 2.066 -21.021 1.264 1.00 44.02 H new ATOM 0 HA2 GLY A 38 3.502 -23.201 2.554 1.00 33.11 H new ATOM 0 HA3 GLY A 38 3.523 -22.743 0.863 1.00 33.11 H new ATOM 552 N LYS A 39 4.790 -20.379 2.535 1.00 64.12 N ATOM 553 CA LYS A 39 5.971 -19.570 2.783 1.00 44.45 C ATOM 554 C LYS A 39 6.617 -20.007 4.099 1.00 41.21 C ATOM 555 O LYS A 39 6.175 -20.972 4.721 1.00 41.51 O ATOM 556 CB LYS A 39 5.621 -18.081 2.734 1.00 34.22 C ATOM 557 CG LYS A 39 5.531 -17.586 1.289 1.00 12.44 C ATOM 558 CD LYS A 39 6.839 -17.845 0.539 1.00 54.53 C ATOM 559 CE LYS A 39 7.067 -16.789 -0.545 1.00 1.32 C ATOM 560 NZ LYS A 39 7.875 -17.348 -1.651 1.00 61.24 N ATOM 0 H LYS A 39 3.904 -19.912 2.729 1.00 64.12 H new ATOM 0 HA LYS A 39 6.711 -19.726 1.998 1.00 44.45 H new ATOM 0 HB2 LYS A 39 4.671 -17.910 3.240 1.00 34.22 H new ATOM 0 HB3 LYS A 39 6.376 -17.508 3.272 1.00 34.22 H new ATOM 0 HG2 LYS A 39 4.709 -18.089 0.779 1.00 12.44 H new ATOM 0 HG3 LYS A 39 5.307 -16.519 1.279 1.00 12.44 H new ATOM 0 HD2 LYS A 39 7.673 -17.837 1.241 1.00 54.53 H new ATOM 0 HD3 LYS A 39 6.813 -18.836 0.087 1.00 54.53 H new ATOM 0 HE2 LYS A 39 6.108 -16.439 -0.928 1.00 1.32 H new ATOM 0 HE3 LYS A 39 7.574 -15.924 -0.117 1.00 1.32 H new ATOM 0 HZ1 LYS A 39 8.020 -16.619 -2.378 1.00 61.24 H new ATOM 0 HZ2 LYS A 39 8.797 -17.660 -1.284 1.00 61.24 H new ATOM 0 HZ3 LYS A 39 7.377 -18.159 -2.070 1.00 61.24 H new ATOM 573 N SER A 40 7.653 -19.276 4.484 1.00 12.04 N ATOM 574 CA SER A 40 8.364 -19.576 5.716 1.00 72.24 C ATOM 575 C SER A 40 7.895 -18.641 6.832 1.00 51.10 C ATOM 576 O SER A 40 7.547 -17.489 6.577 1.00 72.24 O ATOM 577 CB SER A 40 9.876 -19.455 5.522 1.00 45.44 C ATOM 578 OG SER A 40 10.377 -20.426 4.607 1.00 41.44 O ATOM 0 H SER A 40 8.017 -18.477 3.965 1.00 12.04 H new ATOM 0 HA SER A 40 8.142 -20.606 5.997 1.00 72.24 H new ATOM 0 HB2 SER A 40 10.116 -18.456 5.158 1.00 45.44 H new ATOM 0 HB3 SER A 40 10.375 -19.572 6.484 1.00 45.44 H new ATOM 0 HG SER A 40 11.346 -20.314 4.509 1.00 41.44 H new ATOM 584 N THR A 41 7.901 -19.171 8.046 1.00 20.31 N ATOM 585 CA THR A 41 7.481 -18.398 9.203 1.00 73.45 C ATOM 586 C THR A 41 8.407 -17.198 9.407 1.00 23.43 C ATOM 587 O THR A 41 8.096 -16.294 10.181 1.00 62.11 O ATOM 588 CB THR A 41 7.430 -19.340 10.407 1.00 4.15 C ATOM 589 OG1 THR A 41 6.091 -19.825 10.413 1.00 34.21 O ATOM 590 CG2 THR A 41 7.563 -18.596 11.738 1.00 53.11 C ATOM 0 H THR A 41 8.190 -20.127 8.254 1.00 20.31 H new ATOM 0 HA THR A 41 6.485 -17.978 9.059 1.00 73.45 H new ATOM 0 HB THR A 41 8.226 -20.079 10.323 1.00 4.15 H new ATOM 0 HG1 THR A 41 5.971 -20.445 11.162 1.00 34.21 H new ATOM 0 HG21 THR A 41 7.521 -19.311 12.560 1.00 53.11 H new ATOM 0 HG22 THR A 41 8.516 -18.067 11.766 1.00 53.11 H new ATOM 0 HG23 THR A 41 6.747 -17.880 11.837 1.00 53.11 H new ATOM 598 N ASP A 42 9.527 -17.229 8.700 1.00 5.14 N ATOM 599 CA ASP A 42 10.502 -16.155 8.795 1.00 54.11 C ATOM 600 C ASP A 42 9.935 -14.898 8.132 1.00 75.13 C ATOM 601 O ASP A 42 9.725 -13.883 8.794 1.00 33.22 O ATOM 602 CB ASP A 42 11.800 -16.524 8.075 1.00 22.22 C ATOM 603 CG ASP A 42 12.924 -15.494 8.200 1.00 42.21 C ATOM 604 OD1 ASP A 42 12.711 -14.371 8.680 1.00 54.41 O ATOM 605 OD2 ASP A 42 14.076 -15.889 7.773 1.00 12.14 O ATOM 0 H ASP A 42 9.781 -17.981 8.059 1.00 5.14 H new ATOM 0 HA ASP A 42 10.712 -15.982 9.851 1.00 54.11 H new ATOM 0 HB2 ASP A 42 12.156 -17.477 8.466 1.00 22.22 H new ATOM 0 HB3 ASP A 42 11.581 -16.674 7.018 1.00 22.22 H new ATOM 611 N GLU A 43 9.703 -15.007 6.832 1.00 74.01 N ATOM 612 CA GLU A 43 9.164 -13.892 6.072 1.00 51.03 C ATOM 613 C GLU A 43 7.870 -13.388 6.714 1.00 73.05 C ATOM 614 O GLU A 43 7.617 -12.185 6.748 1.00 4.41 O ATOM 615 CB GLU A 43 8.935 -14.284 4.611 1.00 72.13 C ATOM 616 CG GLU A 43 7.586 -14.986 4.436 1.00 5.13 C ATOM 617 CD GLU A 43 7.336 -15.334 2.968 1.00 73.23 C ATOM 618 OE1 GLU A 43 6.319 -14.914 2.396 1.00 74.31 O ATOM 619 OE2 GLU A 43 8.243 -16.068 2.419 1.00 64.13 O ATOM 0 H GLU A 43 9.878 -15.850 6.286 1.00 74.01 H new ATOM 0 HA GLU A 43 9.893 -13.082 6.086 1.00 51.03 H new ATOM 0 HB2 GLU A 43 8.970 -13.394 3.982 1.00 72.13 H new ATOM 0 HB3 GLU A 43 9.737 -14.942 4.277 1.00 72.13 H new ATOM 0 HG2 GLU A 43 7.564 -15.895 5.038 1.00 5.13 H new ATOM 0 HG3 GLU A 43 6.787 -14.342 4.802 1.00 5.13 H new ATOM 627 N VAL A 44 7.083 -14.334 7.206 1.00 45.01 N ATOM 628 CA VAL A 44 5.822 -14.001 7.845 1.00 54.04 C ATOM 629 C VAL A 44 6.045 -12.863 8.843 1.00 31.31 C ATOM 630 O VAL A 44 5.277 -11.903 8.877 1.00 1.12 O ATOM 631 CB VAL A 44 5.215 -15.250 8.487 1.00 13.13 C ATOM 632 CG1 VAL A 44 3.955 -14.900 9.283 1.00 64.32 C ATOM 633 CG2 VAL A 44 4.919 -16.320 7.434 1.00 12.42 C ATOM 0 H VAL A 44 7.295 -15.331 7.175 1.00 45.01 H new ATOM 0 HA VAL A 44 5.101 -13.649 7.107 1.00 54.04 H new ATOM 0 HB VAL A 44 5.948 -15.659 9.182 1.00 13.13 H new ATOM 0 HG11 VAL A 44 3.543 -15.805 9.729 1.00 64.32 H new ATOM 0 HG12 VAL A 44 4.208 -14.190 10.071 1.00 64.32 H new ATOM 0 HG13 VAL A 44 3.216 -14.455 8.617 1.00 64.32 H new ATOM 0 HG21 VAL A 44 4.488 -17.197 7.917 1.00 12.42 H new ATOM 0 HG22 VAL A 44 4.213 -15.926 6.703 1.00 12.42 H new ATOM 0 HG23 VAL A 44 5.844 -16.601 6.931 1.00 12.42 H new ATOM 643 N LYS A 45 7.100 -13.009 9.631 1.00 33.24 N ATOM 644 CA LYS A 45 7.434 -12.006 10.628 1.00 53.11 C ATOM 645 C LYS A 45 7.689 -10.667 9.932 1.00 35.31 C ATOM 646 O LYS A 45 7.422 -9.609 10.499 1.00 42.54 O ATOM 647 CB LYS A 45 8.601 -12.480 11.495 1.00 25.23 C ATOM 648 CG LYS A 45 8.204 -13.699 12.330 1.00 24.33 C ATOM 649 CD LYS A 45 9.440 -14.475 12.791 1.00 45.25 C ATOM 650 CE LYS A 45 9.061 -15.564 13.795 1.00 23.53 C ATOM 651 NZ LYS A 45 8.515 -14.962 15.032 1.00 51.03 N ATOM 0 H LYS A 45 7.735 -13.807 9.599 1.00 33.24 H new ATOM 0 HA LYS A 45 6.599 -11.857 11.313 1.00 53.11 H new ATOM 0 HB2 LYS A 45 9.451 -12.730 10.861 1.00 25.23 H new ATOM 0 HB3 LYS A 45 8.921 -11.672 12.153 1.00 25.23 H new ATOM 0 HG2 LYS A 45 7.628 -13.378 13.198 1.00 24.33 H new ATOM 0 HG3 LYS A 45 7.559 -14.352 11.742 1.00 24.33 H new ATOM 0 HD2 LYS A 45 9.933 -14.925 11.930 1.00 45.25 H new ATOM 0 HD3 LYS A 45 10.155 -13.790 13.245 1.00 45.25 H new ATOM 0 HE2 LYS A 45 8.323 -16.233 13.353 1.00 23.53 H new ATOM 0 HE3 LYS A 45 9.937 -16.168 14.033 1.00 23.53 H new ATOM 0 HZ1 LYS A 45 8.789 -15.542 15.851 1.00 51.03 H new ATOM 0 HZ2 LYS A 45 8.894 -14.000 15.147 1.00 51.03 H new ATOM 0 HZ3 LYS A 45 7.478 -14.920 14.969 1.00 51.03 H new ATOM 664 N LYS A 46 8.201 -10.758 8.714 1.00 64.22 N ATOM 665 CA LYS A 46 8.495 -9.567 7.935 1.00 61.43 C ATOM 666 C LYS A 46 7.233 -9.126 7.190 1.00 65.52 C ATOM 667 O LYS A 46 7.122 -7.972 6.780 1.00 33.11 O ATOM 668 CB LYS A 46 9.697 -9.809 7.019 1.00 31.12 C ATOM 669 CG LYS A 46 10.677 -10.799 7.651 1.00 22.42 C ATOM 670 CD LYS A 46 11.047 -10.373 9.073 1.00 33.04 C ATOM 671 CE LYS A 46 12.169 -9.333 9.060 1.00 61.31 C ATOM 672 NZ LYS A 46 11.727 -8.102 8.367 1.00 31.34 N ATOM 0 H LYS A 46 8.420 -11.638 8.247 1.00 64.22 H new ATOM 0 HA LYS A 46 8.783 -8.745 8.590 1.00 61.43 H new ATOM 0 HB2 LYS A 46 9.355 -10.194 6.058 1.00 31.12 H new ATOM 0 HB3 LYS A 46 10.205 -8.865 6.822 1.00 31.12 H new ATOM 0 HG2 LYS A 46 10.233 -11.794 7.670 1.00 22.42 H new ATOM 0 HG3 LYS A 46 11.578 -10.864 7.041 1.00 22.42 H new ATOM 0 HD2 LYS A 46 10.170 -9.961 9.573 1.00 33.04 H new ATOM 0 HD3 LYS A 46 11.361 -11.245 9.647 1.00 33.04 H new ATOM 0 HE2 LYS A 46 12.465 -9.096 10.082 1.00 61.31 H new ATOM 0 HE3 LYS A 46 13.047 -9.743 8.561 1.00 61.31 H new ATOM 0 HZ1 LYS A 46 12.182 -7.275 8.804 1.00 31.34 H new ATOM 0 HZ2 LYS A 46 11.994 -8.154 7.363 1.00 31.34 H new ATOM 0 HZ3 LYS A 46 10.694 -8.011 8.446 1.00 31.34 H new ATOM 685 N ALA A 47 6.315 -10.069 7.037 1.00 22.21 N ATOM 686 CA ALA A 47 5.066 -9.792 6.349 1.00 72.52 C ATOM 687 C ALA A 47 4.077 -9.161 7.331 1.00 74.24 C ATOM 688 O ALA A 47 3.039 -8.641 6.923 1.00 2.55 O ATOM 689 CB ALA A 47 4.528 -11.083 5.728 1.00 32.42 C ATOM 0 H ALA A 47 6.411 -11.026 7.378 1.00 22.21 H new ATOM 0 HA ALA A 47 5.224 -9.081 5.538 1.00 72.52 H new ATOM 0 HB1 ALA A 47 3.591 -10.875 5.212 1.00 32.42 H new ATOM 0 HB2 ALA A 47 5.255 -11.475 5.017 1.00 32.42 H new ATOM 0 HB3 ALA A 47 4.355 -11.819 6.513 1.00 32.42 H new ATOM 695 N PHE A 48 4.433 -9.228 8.605 1.00 73.20 N ATOM 696 CA PHE A 48 3.589 -8.670 9.648 1.00 2.41 C ATOM 697 C PHE A 48 3.775 -7.154 9.750 1.00 33.34 C ATOM 698 O PHE A 48 2.905 -6.452 10.264 1.00 21.32 O ATOM 699 CB PHE A 48 4.022 -9.315 10.966 1.00 12.42 C ATOM 700 CG PHE A 48 3.363 -8.702 12.204 1.00 21.51 C ATOM 701 CD1 PHE A 48 2.135 -9.131 12.603 1.00 43.40 C ATOM 702 CD2 PHE A 48 4.005 -7.730 12.906 1.00 62.34 C ATOM 703 CE1 PHE A 48 1.524 -8.562 13.752 1.00 60.42 C ATOM 704 CE2 PHE A 48 3.394 -7.162 14.054 1.00 31.04 C ATOM 705 CZ PHE A 48 2.166 -7.590 14.453 1.00 21.22 C ATOM 0 H PHE A 48 5.294 -9.660 8.939 1.00 73.20 H new ATOM 0 HA PHE A 48 2.541 -8.867 9.424 1.00 2.41 H new ATOM 0 HB2 PHE A 48 3.789 -10.379 10.932 1.00 12.42 H new ATOM 0 HB3 PHE A 48 5.104 -9.229 11.063 1.00 12.42 H new ATOM 0 HD1 PHE A 48 1.625 -9.904 12.046 1.00 43.40 H new ATOM 0 HD2 PHE A 48 4.980 -7.390 12.590 1.00 62.34 H new ATOM 0 HE1 PHE A 48 0.549 -8.902 14.069 1.00 60.42 H new ATOM 0 HE2 PHE A 48 3.904 -6.390 14.611 1.00 31.04 H new ATOM 0 HZ PHE A 48 1.701 -7.158 15.327 1.00 21.22 H new ATOM 715 N ALA A 49 4.913 -6.695 9.253 1.00 4.31 N ATOM 716 CA ALA A 49 5.224 -5.276 9.282 1.00 1.41 C ATOM 717 C ALA A 49 4.624 -4.601 8.046 1.00 25.35 C ATOM 718 O ALA A 49 4.289 -3.418 8.082 1.00 70.53 O ATOM 719 CB ALA A 49 6.740 -5.086 9.372 1.00 73.31 C ATOM 0 H ALA A 49 5.632 -7.281 8.828 1.00 4.31 H new ATOM 0 HA ALA A 49 4.784 -4.805 10.161 1.00 1.41 H new ATOM 0 HB1 ALA A 49 6.973 -4.021 9.394 1.00 73.31 H new ATOM 0 HB2 ALA A 49 7.112 -5.557 10.281 1.00 73.31 H new ATOM 0 HB3 ALA A 49 7.216 -5.544 8.505 1.00 73.31 H new ATOM 725 N ILE A 50 4.508 -5.383 6.983 1.00 30.01 N ATOM 726 CA ILE A 50 3.955 -4.876 5.739 1.00 73.32 C ATOM 727 C ILE A 50 2.557 -4.311 6.000 1.00 42.11 C ATOM 728 O ILE A 50 2.227 -3.222 5.533 1.00 41.10 O ATOM 729 CB ILE A 50 3.988 -5.958 4.658 1.00 61.44 C ATOM 730 CG1 ILE A 50 5.391 -6.555 4.522 1.00 53.53 C ATOM 731 CG2 ILE A 50 3.463 -5.419 3.326 1.00 70.14 C ATOM 732 CD1 ILE A 50 6.438 -5.455 4.338 1.00 44.31 C ATOM 0 H ILE A 50 4.787 -6.364 6.958 1.00 30.01 H new ATOM 0 HA ILE A 50 4.565 -4.057 5.357 1.00 73.32 H new ATOM 0 HB ILE A 50 3.323 -6.766 4.963 1.00 61.44 H new ATOM 0 HG12 ILE A 50 5.628 -7.143 5.409 1.00 53.53 H new ATOM 0 HG13 ILE A 50 5.420 -7.236 3.671 1.00 53.53 H new ATOM 0 HG21 ILE A 50 3.497 -6.208 2.575 1.00 70.14 H new ATOM 0 HG22 ILE A 50 2.434 -5.081 3.450 1.00 70.14 H new ATOM 0 HG23 ILE A 50 4.083 -4.583 3.002 1.00 70.14 H new ATOM 0 HD11 ILE A 50 7.426 -5.905 4.244 1.00 44.31 H new ATOM 0 HD12 ILE A 50 6.212 -4.884 3.437 1.00 44.31 H new ATOM 0 HD13 ILE A 50 6.423 -4.790 5.202 1.00 44.31 H new ATOM 744 N ILE A 51 1.774 -5.076 6.745 1.00 33.42 N ATOM 745 CA ILE A 51 0.419 -4.665 7.074 1.00 24.41 C ATOM 746 C ILE A 51 0.471 -3.486 8.047 1.00 1.21 C ATOM 747 O ILE A 51 0.061 -2.377 7.707 1.00 74.33 O ATOM 748 CB ILE A 51 -0.391 -5.855 7.593 1.00 64.32 C ATOM 749 CG1 ILE A 51 -0.229 -7.070 6.676 1.00 2.14 C ATOM 750 CG2 ILE A 51 -1.860 -5.475 7.787 1.00 61.40 C ATOM 751 CD1 ILE A 51 -0.318 -8.373 7.473 1.00 65.22 C ATOM 0 H ILE A 51 2.051 -5.979 7.131 1.00 33.42 H new ATOM 0 HA ILE A 51 -0.102 -4.320 6.181 1.00 24.41 H new ATOM 0 HB ILE A 51 0.001 -6.135 8.571 1.00 64.32 H new ATOM 0 HG12 ILE A 51 -1.002 -7.056 5.907 1.00 2.14 H new ATOM 0 HG13 ILE A 51 0.731 -7.018 6.163 1.00 2.14 H new ATOM 0 HG21 ILE A 51 -2.413 -6.338 8.156 1.00 61.40 H new ATOM 0 HG22 ILE A 51 -1.933 -4.661 8.509 1.00 61.40 H new ATOM 0 HG23 ILE A 51 -2.282 -5.154 6.834 1.00 61.40 H new ATOM 0 HD11 ILE A 51 -0.200 -9.221 6.798 1.00 65.22 H new ATOM 0 HD12 ILE A 51 0.471 -8.394 8.225 1.00 65.22 H new ATOM 0 HD13 ILE A 51 -1.289 -8.433 7.965 1.00 65.22 H new ATOM 763 N ASP A 52 0.979 -3.765 9.239 1.00 41.55 N ATOM 764 CA ASP A 52 1.090 -2.740 10.263 1.00 32.32 C ATOM 765 C ASP A 52 1.633 -1.455 9.636 1.00 1.44 C ATOM 766 O ASP A 52 2.828 -1.350 9.362 1.00 34.20 O ATOM 767 CB ASP A 52 2.054 -3.171 11.370 1.00 1.42 C ATOM 768 CG ASP A 52 1.668 -4.459 12.100 1.00 72.05 C ATOM 769 OD1 ASP A 52 0.479 -4.788 12.229 1.00 43.03 O ATOM 770 OD2 ASP A 52 2.660 -5.148 12.552 1.00 3.32 O ATOM 0 H ASP A 52 1.318 -4.686 9.518 1.00 41.55 H new ATOM 0 HA ASP A 52 0.100 -2.580 10.689 1.00 32.32 H new ATOM 0 HB2 ASP A 52 3.046 -3.300 10.937 1.00 1.42 H new ATOM 0 HB3 ASP A 52 2.128 -2.365 12.101 1.00 1.42 H new ATOM 776 N GLN A 53 0.730 -0.508 9.428 1.00 32.12 N ATOM 777 CA GLN A 53 1.103 0.766 8.839 1.00 44.51 C ATOM 778 C GLN A 53 1.621 1.719 9.918 1.00 11.15 C ATOM 779 O GLN A 53 2.261 2.724 9.679 1.00 54.13 O ATOM 780 CB GLN A 53 -0.072 1.385 8.079 1.00 1.04 C ATOM 781 CG GLN A 53 -0.674 0.384 7.092 1.00 73.23 C ATOM 782 CD GLN A 53 -1.806 1.023 6.285 1.00 53.12 C ATOM 783 OE1 GLN A 53 -1.757 1.124 5.070 1.00 73.21 O ATOM 784 NE2 GLN A 53 -2.826 1.448 7.026 1.00 43.12 N ATOM 0 H GLN A 53 -0.260 -0.598 9.657 1.00 32.12 H new ATOM 0 HA GLN A 53 1.905 0.591 8.122 1.00 44.51 H new ATOM 0 HB2 GLN A 53 -0.836 1.709 8.785 1.00 1.04 H new ATOM 0 HB3 GLN A 53 0.264 2.273 7.543 1.00 1.04 H new ATOM 0 HG2 GLN A 53 0.101 0.024 6.416 1.00 73.23 H new ATOM 0 HG3 GLN A 53 -1.053 -0.483 7.633 1.00 73.23 H new ATOM 0 HE21 GLN A 53 -2.803 1.333 8.039 1.00 43.12 H new ATOM 0 HE22 GLN A 53 -3.631 1.889 6.581 1.00 43.12 H new ATOM 793 N ASP A 54 1.326 1.378 11.142 1.00 31.24 N ATOM 794 CA ASP A 54 1.778 2.221 12.285 1.00 44.05 C ATOM 795 C ASP A 54 2.710 1.414 13.194 1.00 25.13 C ATOM 796 O ASP A 54 3.265 2.005 14.120 1.00 61.43 O ATOM 797 CB ASP A 54 0.497 2.600 13.029 1.00 65.14 C ATOM 798 CG ASP A 54 -0.089 1.358 13.702 1.00 11.44 C ATOM 799 OD1 ASP A 54 -1.056 0.826 13.182 1.00 51.14 O ATOM 800 OD2 ASP A 54 0.436 0.960 14.729 1.00 4.11 O ATOM 0 H ASP A 54 0.790 0.550 11.401 1.00 31.24 H new ATOM 0 HA ASP A 54 2.333 3.101 11.959 1.00 44.05 H new ATOM 0 HB2 ASP A 54 0.710 3.365 13.776 1.00 65.14 H new ATOM 0 HB3 ASP A 54 -0.227 3.026 12.334 1.00 65.14 H new ATOM 805 N LYS A 55 2.859 0.124 12.931 1.00 63.01 N ATOM 806 CA LYS A 55 3.721 -0.712 13.749 1.00 21.31 C ATOM 807 C LYS A 55 3.383 -0.495 15.225 1.00 34.54 C ATOM 808 O LYS A 55 4.255 -0.153 16.022 1.00 13.31 O ATOM 809 CB LYS A 55 5.192 -0.458 13.412 1.00 74.14 C ATOM 810 CG LYS A 55 5.359 -0.086 11.937 1.00 3.21 C ATOM 811 CD LYS A 55 4.901 -1.228 11.028 1.00 54.43 C ATOM 812 CE LYS A 55 5.828 -2.438 11.157 1.00 12.31 C ATOM 813 NZ LYS A 55 5.397 -3.303 12.278 1.00 61.00 N ATOM 0 H LYS A 55 2.397 -0.363 12.163 1.00 63.01 H new ATOM 0 HA LYS A 55 3.546 -1.766 13.532 1.00 21.31 H new ATOM 0 HB2 LYS A 55 5.579 0.345 14.040 1.00 74.14 H new ATOM 0 HB3 LYS A 55 5.779 -1.349 13.635 1.00 74.14 H new ATOM 0 HG2 LYS A 55 4.782 0.812 11.717 1.00 3.21 H new ATOM 0 HG3 LYS A 55 6.404 0.149 11.734 1.00 3.21 H new ATOM 0 HD2 LYS A 55 3.882 -1.517 11.287 1.00 54.43 H new ATOM 0 HD3 LYS A 55 4.883 -0.888 9.992 1.00 54.43 H new ATOM 0 HE2 LYS A 55 5.824 -3.008 10.228 1.00 12.31 H new ATOM 0 HE3 LYS A 55 6.852 -2.103 11.321 1.00 12.31 H new ATOM 0 HZ1 LYS A 55 5.509 -4.301 12.009 1.00 61.00 H new ATOM 0 HZ2 LYS A 55 5.980 -3.102 13.115 1.00 61.00 H new ATOM 0 HZ3 LYS A 55 4.398 -3.114 12.498 1.00 61.00 H new ATOM 826 N SER A 56 2.114 -0.704 15.545 1.00 30.34 N ATOM 827 CA SER A 56 1.649 -0.536 16.912 1.00 44.11 C ATOM 828 C SER A 56 2.123 -1.708 17.774 1.00 73.24 C ATOM 829 O SER A 56 2.019 -1.664 18.999 1.00 63.55 O ATOM 830 CB SER A 56 0.125 -0.420 16.965 1.00 52.12 C ATOM 831 OG SER A 56 -0.505 -1.191 15.945 1.00 51.51 O ATOM 0 H SER A 56 1.393 -0.988 14.881 1.00 30.34 H new ATOM 0 HA SER A 56 2.070 0.389 17.305 1.00 44.11 H new ATOM 0 HB2 SER A 56 -0.230 -0.751 17.941 1.00 52.12 H new ATOM 0 HB3 SER A 56 -0.163 0.626 16.859 1.00 52.12 H new ATOM 0 HG SER A 56 -0.522 -0.678 15.110 1.00 51.51 H new ATOM 837 N GLY A 57 2.632 -2.729 17.100 1.00 51.25 N ATOM 838 CA GLY A 57 3.122 -3.911 17.788 1.00 15.02 C ATOM 839 C GLY A 57 2.160 -5.087 17.609 1.00 32.54 C ATOM 840 O GLY A 57 2.533 -6.238 17.833 1.00 34.11 O ATOM 0 H GLY A 57 2.716 -2.762 16.084 1.00 51.25 H new ATOM 0 HA2 GLY A 57 4.106 -4.179 17.402 1.00 15.02 H new ATOM 0 HA3 GLY A 57 3.244 -3.694 18.849 1.00 15.02 H new ATOM 844 N PHE A 58 0.941 -4.758 17.208 1.00 71.22 N ATOM 845 CA PHE A 58 -0.077 -5.773 16.996 1.00 31.33 C ATOM 846 C PHE A 58 -0.939 -5.440 15.777 1.00 50.21 C ATOM 847 O PHE A 58 -0.673 -4.468 15.072 1.00 54.42 O ATOM 848 CB PHE A 58 -0.963 -5.785 18.244 1.00 65.40 C ATOM 849 CG PHE A 58 -0.234 -6.213 19.520 1.00 73.53 C ATOM 850 CD1 PHE A 58 -0.262 -5.414 20.619 1.00 2.34 C ATOM 851 CD2 PHE A 58 0.441 -7.394 19.554 1.00 54.30 C ATOM 852 CE1 PHE A 58 0.414 -5.811 21.803 1.00 1.03 C ATOM 853 CE2 PHE A 58 1.117 -7.791 20.738 1.00 54.01 C ATOM 854 CZ PHE A 58 1.089 -6.991 21.838 1.00 60.24 C ATOM 0 H PHE A 58 0.635 -3.802 17.024 1.00 71.22 H new ATOM 0 HA PHE A 58 0.394 -6.740 16.821 1.00 31.33 H new ATOM 0 HB2 PHE A 58 -1.378 -4.788 18.392 1.00 65.40 H new ATOM 0 HB3 PHE A 58 -1.803 -6.458 18.074 1.00 65.40 H new ATOM 0 HD1 PHE A 58 -0.798 -4.477 20.592 1.00 2.34 H new ATOM 0 HD2 PHE A 58 0.463 -8.029 18.681 1.00 54.30 H new ATOM 0 HE1 PHE A 58 0.392 -5.176 22.676 1.00 1.03 H new ATOM 0 HE2 PHE A 58 1.653 -8.728 20.765 1.00 54.01 H new ATOM 0 HZ PHE A 58 1.603 -7.293 22.739 1.00 60.24 H new ATOM 864 N ILE A 59 -1.954 -6.265 15.566 1.00 62.10 N ATOM 865 CA ILE A 59 -2.856 -6.070 14.444 1.00 14.11 C ATOM 866 C ILE A 59 -4.298 -6.038 14.955 1.00 53.33 C ATOM 867 O ILE A 59 -5.017 -7.031 14.859 1.00 61.32 O ATOM 868 CB ILE A 59 -2.609 -7.128 13.367 1.00 21.10 C ATOM 869 CG1 ILE A 59 -1.394 -6.765 12.511 1.00 71.05 C ATOM 870 CG2 ILE A 59 -3.863 -7.351 12.519 1.00 44.54 C ATOM 871 CD1 ILE A 59 -1.179 -7.795 11.399 1.00 12.34 C ATOM 0 H ILE A 59 -2.172 -7.070 16.153 1.00 62.10 H new ATOM 0 HA ILE A 59 -2.665 -5.110 13.964 1.00 14.11 H new ATOM 0 HB ILE A 59 -2.384 -8.073 13.861 1.00 21.10 H new ATOM 0 HG12 ILE A 59 -1.535 -5.777 12.074 1.00 71.05 H new ATOM 0 HG13 ILE A 59 -0.505 -6.712 13.139 1.00 71.05 H new ATOM 0 HG21 ILE A 59 -3.660 -8.108 11.761 1.00 44.54 H new ATOM 0 HG22 ILE A 59 -4.679 -7.687 13.158 1.00 44.54 H new ATOM 0 HG23 ILE A 59 -4.144 -6.417 12.033 1.00 44.54 H new ATOM 0 HD11 ILE A 59 -0.309 -7.513 10.805 1.00 12.34 H new ATOM 0 HD12 ILE A 59 -1.014 -8.778 11.840 1.00 12.34 H new ATOM 0 HD13 ILE A 59 -2.060 -7.828 10.758 1.00 12.34 H new ATOM 883 N GLU A 60 -4.678 -4.885 15.486 1.00 33.23 N ATOM 884 CA GLU A 60 -6.022 -4.710 16.012 1.00 25.43 C ATOM 885 C GLU A 60 -7.057 -5.186 14.992 1.00 53.05 C ATOM 886 O GLU A 60 -6.731 -5.402 13.825 1.00 11.04 O ATOM 887 CB GLU A 60 -6.270 -3.253 16.408 1.00 73.54 C ATOM 888 CG GLU A 60 -5.369 -2.840 17.573 1.00 71.01 C ATOM 889 CD GLU A 60 -4.045 -2.265 17.065 1.00 32.20 C ATOM 890 OE1 GLU A 60 -4.047 -1.346 16.232 1.00 31.43 O ATOM 891 OE2 GLU A 60 -2.987 -2.806 17.567 1.00 34.34 O ATOM 0 H GLU A 60 -4.079 -4.063 15.563 1.00 33.23 H new ATOM 0 HA GLU A 60 -6.122 -5.318 16.911 1.00 25.43 H new ATOM 0 HB2 GLU A 60 -6.085 -2.603 15.553 1.00 73.54 H new ATOM 0 HB3 GLU A 60 -7.315 -3.121 16.688 1.00 73.54 H new ATOM 0 HG2 GLU A 60 -5.880 -2.098 18.187 1.00 71.01 H new ATOM 0 HG3 GLU A 60 -5.174 -3.703 18.210 1.00 71.01 H new ATOM 899 N GLU A 61 -8.285 -5.335 15.467 1.00 22.23 N ATOM 900 CA GLU A 61 -9.370 -5.781 14.611 1.00 74.33 C ATOM 901 C GLU A 61 -9.616 -4.766 13.493 1.00 63.15 C ATOM 902 O GLU A 61 -9.991 -5.139 12.382 1.00 32.02 O ATOM 903 CB GLU A 61 -10.645 -6.022 15.422 1.00 71.44 C ATOM 904 CG GLU A 61 -11.717 -6.705 14.569 1.00 44.21 C ATOM 905 CD GLU A 61 -13.015 -6.882 15.358 1.00 12.35 C ATOM 906 OE1 GLU A 61 -13.916 -7.610 14.915 1.00 1.25 O ATOM 907 OE2 GLU A 61 -13.070 -6.231 16.471 1.00 42.11 O ATOM 0 H GLU A 61 -8.552 -5.154 16.435 1.00 22.23 H new ATOM 0 HA GLU A 61 -9.082 -6.729 14.158 1.00 74.33 H new ATOM 0 HB2 GLU A 61 -10.417 -6.641 16.290 1.00 71.44 H new ATOM 0 HB3 GLU A 61 -11.025 -5.073 15.799 1.00 71.44 H new ATOM 0 HG2 GLU A 61 -11.909 -6.111 13.675 1.00 44.21 H new ATOM 0 HG3 GLU A 61 -11.355 -7.677 14.234 1.00 44.21 H new ATOM 915 N GLU A 62 -9.393 -3.503 13.824 1.00 14.15 N ATOM 916 CA GLU A 62 -9.586 -2.431 12.862 1.00 24.31 C ATOM 917 C GLU A 62 -8.453 -2.432 11.834 1.00 44.31 C ATOM 918 O GLU A 62 -8.601 -1.887 10.741 1.00 74.51 O ATOM 919 CB GLU A 62 -9.688 -1.076 13.564 1.00 14.22 C ATOM 920 CG GLU A 62 -10.896 -1.035 14.503 1.00 41.41 C ATOM 921 CD GLU A 62 -11.059 0.353 15.126 1.00 52.44 C ATOM 922 OE1 GLU A 62 -12.164 0.916 15.104 1.00 2.33 O ATOM 923 OE2 GLU A 62 -9.987 0.847 15.646 1.00 31.13 O ATOM 0 H GLU A 62 -9.080 -3.198 14.746 1.00 14.15 H new ATOM 0 HA GLU A 62 -10.526 -2.603 12.339 1.00 24.31 H new ATOM 0 HB2 GLU A 62 -8.776 -0.886 14.130 1.00 14.22 H new ATOM 0 HB3 GLU A 62 -9.773 -0.283 12.821 1.00 14.22 H new ATOM 0 HG2 GLU A 62 -11.799 -1.298 13.952 1.00 41.41 H new ATOM 0 HG3 GLU A 62 -10.775 -1.779 15.290 1.00 41.41 H new ATOM 931 N GLU A 63 -7.346 -3.049 12.221 1.00 43.54 N ATOM 932 CA GLU A 63 -6.188 -3.127 11.346 1.00 50.10 C ATOM 933 C GLU A 63 -6.204 -4.440 10.561 1.00 23.21 C ATOM 934 O GLU A 63 -5.517 -4.571 9.549 1.00 5.13 O ATOM 935 CB GLU A 63 -4.889 -2.979 12.141 1.00 52.21 C ATOM 936 CG GLU A 63 -4.605 -1.509 12.458 1.00 61.22 C ATOM 937 CD GLU A 63 -3.103 -1.262 12.611 1.00 22.14 C ATOM 938 OE1 GLU A 63 -2.704 -0.869 13.729 1.00 63.31 O ATOM 939 OE2 GLU A 63 -2.388 -1.472 11.608 1.00 44.21 O ATOM 0 H GLU A 63 -7.226 -3.499 13.128 1.00 43.54 H new ATOM 0 HA GLU A 63 -6.237 -2.301 10.636 1.00 50.10 H new ATOM 0 HB2 GLU A 63 -4.959 -3.548 13.068 1.00 52.21 H new ATOM 0 HB3 GLU A 63 -4.060 -3.399 11.571 1.00 52.21 H new ATOM 0 HG2 GLU A 63 -5.002 -0.878 11.662 1.00 61.22 H new ATOM 0 HG3 GLU A 63 -5.119 -1.225 13.376 1.00 61.22 H new ATOM 946 N LEU A 64 -6.995 -5.380 11.057 1.00 11.33 N ATOM 947 CA LEU A 64 -7.109 -6.678 10.415 1.00 33.11 C ATOM 948 C LEU A 64 -7.660 -6.495 8.999 1.00 33.45 C ATOM 949 O LEU A 64 -7.143 -7.079 8.048 1.00 11.31 O ATOM 950 CB LEU A 64 -7.937 -7.632 11.279 1.00 62.13 C ATOM 951 CG LEU A 64 -7.152 -8.481 12.281 1.00 71.21 C ATOM 952 CD1 LEU A 64 -8.096 -9.307 13.157 1.00 21.21 C ATOM 953 CD2 LEU A 64 -6.119 -9.356 11.568 1.00 72.21 C ATOM 0 H LEU A 64 -7.563 -5.268 11.897 1.00 11.33 H new ATOM 0 HA LEU A 64 -6.128 -7.143 10.318 1.00 33.11 H new ATOM 0 HB2 LEU A 64 -8.674 -7.046 11.828 1.00 62.13 H new ATOM 0 HB3 LEU A 64 -8.489 -8.302 10.619 1.00 62.13 H new ATOM 0 HG LEU A 64 -6.604 -7.810 12.942 1.00 71.21 H new ATOM 0 HD11 LEU A 64 -7.513 -9.901 13.860 1.00 21.21 H new ATOM 0 HD12 LEU A 64 -8.759 -8.639 13.708 1.00 21.21 H new ATOM 0 HD13 LEU A 64 -8.690 -9.969 12.528 1.00 21.21 H new ATOM 0 HD21 LEU A 64 -5.575 -9.949 12.303 1.00 72.21 H new ATOM 0 HD22 LEU A 64 -6.626 -10.021 10.869 1.00 72.21 H new ATOM 0 HD23 LEU A 64 -5.419 -8.722 11.024 1.00 72.21 H new ATOM 965 N LYS A 65 -8.703 -5.683 8.905 1.00 63.11 N ATOM 966 CA LYS A 65 -9.330 -5.416 7.621 1.00 25.25 C ATOM 967 C LYS A 65 -8.322 -4.726 6.700 1.00 2.44 C ATOM 968 O LYS A 65 -8.539 -4.636 5.493 1.00 11.41 O ATOM 969 CB LYS A 65 -10.628 -4.629 7.813 1.00 63.44 C ATOM 970 CG LYS A 65 -10.338 -3.184 8.223 1.00 23.32 C ATOM 971 CD LYS A 65 -11.636 -2.406 8.445 1.00 32.23 C ATOM 972 CE LYS A 65 -12.683 -3.275 9.146 1.00 3.33 C ATOM 973 NZ LYS A 65 -12.106 -3.908 10.354 1.00 52.15 N ATOM 0 H LYS A 65 -9.130 -5.201 9.697 1.00 63.11 H new ATOM 0 HA LYS A 65 -9.619 -6.348 7.136 1.00 25.25 H new ATOM 0 HB2 LYS A 65 -11.204 -4.640 6.888 1.00 63.44 H new ATOM 0 HB3 LYS A 65 -11.240 -5.111 8.575 1.00 63.44 H new ATOM 0 HG2 LYS A 65 -9.743 -3.174 9.136 1.00 23.32 H new ATOM 0 HG3 LYS A 65 -9.744 -2.695 7.450 1.00 23.32 H new ATOM 0 HD2 LYS A 65 -11.434 -1.518 9.045 1.00 32.23 H new ATOM 0 HD3 LYS A 65 -12.026 -2.062 7.487 1.00 32.23 H new ATOM 0 HE2 LYS A 65 -13.543 -2.666 9.423 1.00 3.33 H new ATOM 0 HE3 LYS A 65 -13.043 -4.044 8.462 1.00 3.33 H new ATOM 0 HZ1 LYS A 65 -12.682 -4.731 10.623 1.00 52.15 H new ATOM 0 HZ2 LYS A 65 -11.133 -4.216 10.153 1.00 52.15 H new ATOM 0 HZ3 LYS A 65 -12.097 -3.221 11.135 1.00 52.15 H new ATOM 986 N LEU A 66 -7.241 -4.256 7.305 1.00 2.55 N ATOM 987 CA LEU A 66 -6.199 -3.576 6.555 1.00 41.23 C ATOM 988 C LEU A 66 -5.163 -4.600 6.086 1.00 54.11 C ATOM 989 O LEU A 66 -4.051 -4.235 5.708 1.00 52.02 O ATOM 990 CB LEU A 66 -5.604 -2.432 7.379 1.00 24.50 C ATOM 991 CG LEU A 66 -6.603 -1.583 8.168 1.00 63.33 C ATOM 992 CD1 LEU A 66 -5.881 -0.535 9.016 1.00 11.41 C ATOM 993 CD2 LEU A 66 -7.641 -0.953 7.237 1.00 3.43 C ATOM 0 H LEU A 66 -7.064 -4.333 8.307 1.00 2.55 H new ATOM 0 HA LEU A 66 -6.615 -3.111 5.661 1.00 41.23 H new ATOM 0 HB2 LEU A 66 -4.882 -2.852 8.079 1.00 24.50 H new ATOM 0 HB3 LEU A 66 -5.051 -1.776 6.707 1.00 24.50 H new ATOM 0 HG LEU A 66 -7.141 -2.236 8.855 1.00 63.33 H new ATOM 0 HD11 LEU A 66 -6.614 0.055 9.567 1.00 11.41 H new ATOM 0 HD12 LEU A 66 -5.213 -1.033 9.719 1.00 11.41 H new ATOM 0 HD13 LEU A 66 -5.301 0.121 8.367 1.00 11.41 H new ATOM 0 HD21 LEU A 66 -8.339 -0.355 7.822 1.00 3.43 H new ATOM 0 HD22 LEU A 66 -7.138 -0.316 6.510 1.00 3.43 H new ATOM 0 HD23 LEU A 66 -8.186 -1.739 6.715 1.00 3.43 H new ATOM 1005 N PHE A 67 -5.566 -5.862 6.126 1.00 42.42 N ATOM 1006 CA PHE A 67 -4.687 -6.941 5.710 1.00 64.12 C ATOM 1007 C PHE A 67 -4.327 -6.815 4.228 1.00 71.21 C ATOM 1008 O PHE A 67 -3.425 -7.498 3.744 1.00 14.31 O ATOM 1009 CB PHE A 67 -5.450 -8.249 5.928 1.00 50.21 C ATOM 1010 CG PHE A 67 -4.760 -9.479 5.335 1.00 44.33 C ATOM 1011 CD1 PHE A 67 -5.325 -10.137 4.288 1.00 71.14 C ATOM 1012 CD2 PHE A 67 -3.581 -9.914 5.855 1.00 44.43 C ATOM 1013 CE1 PHE A 67 -4.684 -11.279 3.737 1.00 14.52 C ATOM 1014 CE2 PHE A 67 -2.940 -11.055 5.304 1.00 21.13 C ATOM 1015 CZ PHE A 67 -3.505 -11.713 4.257 1.00 34.51 C ATOM 0 H PHE A 67 -6.489 -6.161 6.440 1.00 42.42 H new ATOM 0 HA PHE A 67 -3.761 -6.909 6.285 1.00 64.12 H new ATOM 0 HB2 PHE A 67 -5.588 -8.403 6.998 1.00 50.21 H new ATOM 0 HB3 PHE A 67 -6.443 -8.156 5.489 1.00 50.21 H new ATOM 0 HD1 PHE A 67 -6.261 -9.792 3.875 1.00 71.14 H new ATOM 0 HD2 PHE A 67 -3.132 -9.392 6.687 1.00 44.43 H new ATOM 0 HE1 PHE A 67 -5.133 -11.802 2.906 1.00 14.52 H new ATOM 0 HE2 PHE A 67 -2.004 -11.400 5.717 1.00 21.13 H new ATOM 0 HZ PHE A 67 -3.017 -12.581 3.838 1.00 34.51 H new ATOM 1025 N LEU A 68 -5.051 -5.938 3.549 1.00 51.33 N ATOM 1026 CA LEU A 68 -4.820 -5.714 2.132 1.00 42.33 C ATOM 1027 C LEU A 68 -3.999 -4.436 1.949 1.00 1.53 C ATOM 1028 O LEU A 68 -3.490 -4.171 0.861 1.00 5.34 O ATOM 1029 CB LEU A 68 -6.145 -5.708 1.367 1.00 41.01 C ATOM 1030 CG LEU A 68 -6.906 -7.035 1.334 1.00 41.13 C ATOM 1031 CD1 LEU A 68 -7.868 -7.086 0.145 1.00 2.31 C ATOM 1032 CD2 LEU A 68 -5.940 -8.221 1.340 1.00 22.33 C ATOM 0 H LEU A 68 -5.798 -5.374 3.954 1.00 51.33 H new ATOM 0 HA LEU A 68 -4.237 -6.532 1.708 1.00 42.33 H new ATOM 0 HB2 LEU A 68 -6.793 -4.951 1.808 1.00 41.01 H new ATOM 0 HB3 LEU A 68 -5.948 -5.399 0.340 1.00 41.01 H new ATOM 0 HG LEU A 68 -7.509 -7.106 2.239 1.00 41.13 H new ATOM 0 HD11 LEU A 68 -8.396 -8.039 0.145 1.00 2.31 H new ATOM 0 HD12 LEU A 68 -8.589 -6.272 0.225 1.00 2.31 H new ATOM 0 HD13 LEU A 68 -7.305 -6.983 -0.783 1.00 2.31 H new ATOM 0 HD21 LEU A 68 -6.507 -9.152 1.316 1.00 22.33 H new ATOM 0 HD22 LEU A 68 -5.293 -8.168 0.465 1.00 22.33 H new ATOM 0 HD23 LEU A 68 -5.331 -8.190 2.244 1.00 22.33 H new ATOM 1044 N GLN A 69 -3.896 -3.677 3.031 1.00 60.03 N ATOM 1045 CA GLN A 69 -3.146 -2.433 3.004 1.00 64.04 C ATOM 1046 C GLN A 69 -1.643 -2.720 2.981 1.00 41.11 C ATOM 1047 O GLN A 69 -0.832 -1.798 2.903 1.00 54.12 O ATOM 1048 CB GLN A 69 -3.516 -1.543 4.192 1.00 60.32 C ATOM 1049 CG GLN A 69 -4.949 -1.022 4.061 1.00 24.32 C ATOM 1050 CD GLN A 69 -5.104 0.335 4.751 1.00 64.41 C ATOM 1051 OE1 GLN A 69 -4.153 1.076 4.940 1.00 32.12 O ATOM 1052 NE2 GLN A 69 -6.351 0.617 5.115 1.00 53.35 N ATOM 0 H GLN A 69 -4.320 -3.900 3.932 1.00 60.03 H new ATOM 0 HA GLN A 69 -3.407 -1.894 2.094 1.00 64.04 H new ATOM 0 HB2 GLN A 69 -3.413 -2.107 5.119 1.00 60.32 H new ATOM 0 HB3 GLN A 69 -2.824 -0.703 4.251 1.00 60.32 H new ATOM 0 HG2 GLN A 69 -5.212 -0.930 3.007 1.00 24.32 H new ATOM 0 HG3 GLN A 69 -5.642 -1.739 4.501 1.00 24.32 H new ATOM 0 HE21 GLN A 69 -7.100 -0.049 4.926 1.00 53.35 H new ATOM 0 HE22 GLN A 69 -6.559 1.499 5.583 1.00 53.35 H new ATOM 1061 N ASN A 70 -1.316 -4.002 3.051 1.00 75.13 N ATOM 1062 CA ASN A 70 0.075 -4.422 3.039 1.00 15.12 C ATOM 1063 C ASN A 70 0.566 -4.505 1.593 1.00 52.44 C ATOM 1064 O ASN A 70 1.656 -4.032 1.276 1.00 41.45 O ATOM 1065 CB ASN A 70 0.238 -5.805 3.674 1.00 52.54 C ATOM 1066 CG ASN A 70 -0.880 -6.749 3.226 1.00 11.53 C ATOM 1067 OD1 ASN A 70 -1.741 -6.402 2.435 1.00 53.42 O ATOM 1068 ND2 ASN A 70 -0.819 -7.958 3.776 1.00 62.13 N ATOM 0 H ASN A 70 -1.991 -4.764 3.116 1.00 75.13 H new ATOM 0 HA ASN A 70 0.652 -3.693 3.608 1.00 15.12 H new ATOM 0 HB2 ASN A 70 1.205 -6.224 3.398 1.00 52.54 H new ATOM 0 HB3 ASN A 70 0.229 -5.714 4.760 1.00 52.54 H new ATOM 0 HD21 ASN A 70 -1.521 -8.661 3.542 1.00 62.13 H new ATOM 0 HD22 ASN A 70 -0.071 -8.183 4.432 1.00 62.13 H new ATOM 1075 N PHE A 71 -0.263 -5.109 0.754 1.00 44.14 N ATOM 1076 CA PHE A 71 0.074 -5.260 -0.652 1.00 11.41 C ATOM 1077 C PHE A 71 -0.329 -4.017 -1.448 1.00 44.24 C ATOM 1078 O PHE A 71 -0.267 -4.015 -2.677 1.00 24.41 O ATOM 1079 CB PHE A 71 -0.714 -6.463 -1.174 1.00 11.41 C ATOM 1080 CG PHE A 71 -0.597 -7.711 -0.297 1.00 14.12 C ATOM 1081 CD1 PHE A 71 0.537 -8.460 -0.327 1.00 44.15 C ATOM 1082 CD2 PHE A 71 -1.629 -8.072 0.513 1.00 5.53 C ATOM 1083 CE1 PHE A 71 0.646 -9.618 0.486 1.00 34.45 C ATOM 1084 CE2 PHE A 71 -1.520 -9.230 1.327 1.00 33.12 C ATOM 1085 CZ PHE A 71 -0.385 -9.979 1.297 1.00 75.14 C ATOM 0 H PHE A 71 -1.167 -5.499 1.020 1.00 44.14 H new ATOM 0 HA PHE A 71 1.149 -5.398 -0.765 1.00 11.41 H new ATOM 0 HB2 PHE A 71 -1.765 -6.187 -1.257 1.00 11.41 H new ATOM 0 HB3 PHE A 71 -0.367 -6.704 -2.179 1.00 11.41 H new ATOM 0 HD1 PHE A 71 1.356 -8.173 -0.970 1.00 44.15 H new ATOM 0 HD2 PHE A 71 -2.531 -7.478 0.537 1.00 5.53 H new ATOM 0 HE1 PHE A 71 1.547 -10.213 0.461 1.00 34.45 H new ATOM 0 HE2 PHE A 71 -2.339 -9.516 1.970 1.00 33.12 H new ATOM 0 HZ PHE A 71 -0.302 -10.860 1.917 1.00 75.14 H new ATOM 1095 N LYS A 72 -0.732 -2.989 -0.716 1.00 53.03 N ATOM 1096 CA LYS A 72 -1.145 -1.743 -1.339 1.00 40.30 C ATOM 1097 C LYS A 72 -1.438 -0.707 -0.252 1.00 2.22 C ATOM 1098 O LYS A 72 -1.842 -1.060 0.855 1.00 65.40 O ATOM 1099 CB LYS A 72 -2.318 -1.982 -2.292 1.00 22.41 C ATOM 1100 CG LYS A 72 -2.603 -0.738 -3.135 1.00 4.31 C ATOM 1101 CD LYS A 72 -1.749 -0.728 -4.404 1.00 62.35 C ATOM 1102 CE LYS A 72 -2.450 -1.474 -5.542 1.00 43.51 C ATOM 1103 NZ LYS A 72 -1.476 -1.855 -6.589 1.00 62.12 N ATOM 0 H LYS A 72 -0.781 -2.993 0.303 1.00 53.03 H new ATOM 0 HA LYS A 72 -0.341 -1.341 -1.955 1.00 40.30 H new ATOM 0 HB2 LYS A 72 -2.094 -2.825 -2.946 1.00 22.41 H new ATOM 0 HB3 LYS A 72 -3.207 -2.249 -1.720 1.00 22.41 H new ATOM 0 HG2 LYS A 72 -3.659 -0.710 -3.403 1.00 4.31 H new ATOM 0 HG3 LYS A 72 -2.399 0.158 -2.548 1.00 4.31 H new ATOM 0 HD2 LYS A 72 -1.552 0.301 -4.706 1.00 62.35 H new ATOM 0 HD3 LYS A 72 -0.784 -1.191 -4.201 1.00 62.35 H new ATOM 0 HE2 LYS A 72 -2.941 -2.366 -5.152 1.00 43.51 H new ATOM 0 HE3 LYS A 72 -3.228 -0.844 -5.973 1.00 43.51 H new ATOM 0 HZ1 LYS A 72 -1.968 -2.360 -7.354 1.00 62.12 H new ATOM 0 HZ2 LYS A 72 -1.026 -0.999 -6.973 1.00 62.12 H new ATOM 0 HZ3 LYS A 72 -0.748 -2.474 -6.178 1.00 62.12 H new ATOM 1116 N ALA A 73 -1.223 0.552 -0.605 1.00 61.12 N ATOM 1117 CA ALA A 73 -1.459 1.642 0.327 1.00 63.44 C ATOM 1118 C ALA A 73 -2.812 2.286 0.019 1.00 45.43 C ATOM 1119 O ALA A 73 -3.057 3.432 0.394 1.00 60.12 O ATOM 1120 CB ALA A 73 -0.304 2.642 0.245 1.00 21.03 C ATOM 0 H ALA A 73 -0.888 0.842 -1.524 1.00 61.12 H new ATOM 0 HA ALA A 73 -1.497 1.271 1.351 1.00 63.44 H new ATOM 0 HB1 ALA A 73 -0.480 3.460 0.944 1.00 21.03 H new ATOM 0 HB2 ALA A 73 0.630 2.141 0.501 1.00 21.03 H new ATOM 0 HB3 ALA A 73 -0.237 3.039 -0.768 1.00 21.03 H new ATOM 1126 N GLY A 74 -3.654 1.523 -0.661 1.00 60.23 N ATOM 1127 CA GLY A 74 -4.976 2.005 -1.024 1.00 3.31 C ATOM 1128 C GLY A 74 -5.931 0.840 -1.289 1.00 13.12 C ATOM 1129 O GLY A 74 -6.913 0.991 -2.014 1.00 34.41 O ATOM 0 H GLY A 74 -3.447 0.574 -0.971 1.00 60.23 H new ATOM 0 HA2 GLY A 74 -5.372 2.629 -0.223 1.00 3.31 H new ATOM 0 HA3 GLY A 74 -4.907 2.632 -1.913 1.00 3.31 H new ATOM 1133 N ALA A 75 -5.610 -0.295 -0.687 1.00 30.53 N ATOM 1134 CA ALA A 75 -6.428 -1.486 -0.848 1.00 44.34 C ATOM 1135 C ALA A 75 -7.764 -1.282 -0.132 1.00 30.42 C ATOM 1136 O ALA A 75 -7.903 -0.373 0.684 1.00 3.34 O ATOM 1137 CB ALA A 75 -5.665 -2.704 -0.325 1.00 22.31 C ATOM 0 H ALA A 75 -4.794 -0.416 -0.087 1.00 30.53 H new ATOM 0 HA ALA A 75 -6.643 -1.665 -1.902 1.00 44.34 H new ATOM 0 HB1 ALA A 75 -6.278 -3.597 -0.446 1.00 22.31 H new ATOM 0 HB2 ALA A 75 -4.738 -2.822 -0.887 1.00 22.31 H new ATOM 0 HB3 ALA A 75 -5.434 -2.563 0.731 1.00 22.31 H new ATOM 1143 N ARG A 76 -8.714 -2.145 -0.463 1.00 2.30 N ATOM 1144 CA ARG A 76 -10.034 -2.071 0.139 1.00 74.22 C ATOM 1145 C ARG A 76 -10.014 -2.684 1.540 1.00 22.25 C ATOM 1146 O ARG A 76 -9.151 -3.505 1.851 1.00 53.55 O ATOM 1147 CB ARG A 76 -11.071 -2.804 -0.716 1.00 24.03 C ATOM 1148 CG ARG A 76 -10.854 -4.318 -0.661 1.00 55.22 C ATOM 1149 CD ARG A 76 -11.695 -4.952 0.449 1.00 3.12 C ATOM 1150 NE ARG A 76 -11.996 -6.362 0.114 1.00 42.53 N ATOM 1151 CZ ARG A 76 -13.071 -7.036 0.574 1.00 24.23 C ATOM 1152 NH1 ARG A 76 -13.241 -8.293 0.210 1.00 34.40 N ATOM 1153 NH2 ARG A 76 -13.957 -6.434 1.395 1.00 33.31 N ATOM 0 H ARG A 76 -8.595 -2.899 -1.140 1.00 2.30 H new ATOM 0 HA ARG A 76 -10.310 -1.019 0.203 1.00 74.22 H new ATOM 0 HB2 ARG A 76 -12.074 -2.564 -0.364 1.00 24.03 H new ATOM 0 HB3 ARG A 76 -11.005 -2.461 -1.748 1.00 24.03 H new ATOM 0 HG2 ARG A 76 -11.118 -4.762 -1.621 1.00 55.22 H new ATOM 0 HG3 ARG A 76 -9.799 -4.532 -0.490 1.00 55.22 H new ATOM 0 HD2 ARG A 76 -11.159 -4.901 1.397 1.00 3.12 H new ATOM 0 HD3 ARG A 76 -12.623 -4.394 0.577 1.00 3.12 H new ATOM 0 HE ARG A 76 -11.351 -6.855 -0.503 1.00 42.53 H new ATOM 0 HH11 ARG A 76 -12.565 -8.740 -0.410 1.00 34.40 H new ATOM 0 HH12 ARG A 76 -14.048 -8.817 0.548 1.00 34.40 H new ATOM 0 HH21 ARG A 76 -13.817 -5.462 1.672 1.00 33.31 H new ATOM 0 HH22 ARG A 76 -14.767 -6.951 1.738 1.00 33.31 H new ATOM 1166 N ALA A 77 -10.974 -2.262 2.350 1.00 20.42 N ATOM 1167 CA ALA A 77 -11.077 -2.760 3.712 1.00 41.43 C ATOM 1168 C ALA A 77 -12.056 -3.934 3.748 1.00 34.42 C ATOM 1169 O ALA A 77 -13.122 -3.878 3.137 1.00 52.02 O ATOM 1170 CB ALA A 77 -11.499 -1.620 4.641 1.00 4.21 C ATOM 0 H ALA A 77 -11.687 -1.581 2.090 1.00 20.42 H new ATOM 0 HA ALA A 77 -10.111 -3.125 4.062 1.00 41.43 H new ATOM 0 HB1 ALA A 77 -11.576 -1.993 5.662 1.00 4.21 H new ATOM 0 HB2 ALA A 77 -10.756 -0.824 4.601 1.00 4.21 H new ATOM 0 HB3 ALA A 77 -12.466 -1.230 4.323 1.00 4.21 H new ATOM 1176 N LEU A 78 -11.660 -4.972 4.471 1.00 11.53 N ATOM 1177 CA LEU A 78 -12.490 -6.158 4.596 1.00 43.14 C ATOM 1178 C LEU A 78 -13.718 -5.829 5.447 1.00 23.41 C ATOM 1179 O LEU A 78 -13.605 -5.159 6.472 1.00 14.12 O ATOM 1180 CB LEU A 78 -11.668 -7.333 5.129 1.00 2.13 C ATOM 1181 CG LEU A 78 -10.620 -7.908 4.174 1.00 52.43 C ATOM 1182 CD1 LEU A 78 -11.120 -7.875 2.728 1.00 12.21 C ATOM 1183 CD2 LEU A 78 -9.279 -7.188 4.333 1.00 54.11 C ATOM 0 H LEU A 78 -10.775 -5.016 4.976 1.00 11.53 H new ATOM 0 HA LEU A 78 -12.855 -6.472 3.618 1.00 43.14 H new ATOM 0 HB2 LEU A 78 -11.163 -7.013 6.041 1.00 2.13 H new ATOM 0 HB3 LEU A 78 -12.354 -8.133 5.408 1.00 2.13 H new ATOM 0 HG LEU A 78 -10.457 -8.954 4.435 1.00 52.43 H new ATOM 0 HD11 LEU A 78 -10.357 -8.289 2.069 1.00 12.21 H new ATOM 0 HD12 LEU A 78 -12.031 -8.467 2.645 1.00 12.21 H new ATOM 0 HD13 LEU A 78 -11.329 -6.845 2.439 1.00 12.21 H new ATOM 0 HD21 LEU A 78 -8.552 -7.616 3.643 1.00 54.11 H new ATOM 0 HD22 LEU A 78 -9.407 -6.128 4.114 1.00 54.11 H new ATOM 0 HD23 LEU A 78 -8.922 -7.306 5.356 1.00 54.11 H new ATOM 1195 N SER A 79 -14.862 -6.317 4.991 1.00 51.11 N ATOM 1196 CA SER A 79 -16.110 -6.083 5.698 1.00 61.40 C ATOM 1197 C SER A 79 -16.036 -6.685 7.103 1.00 44.21 C ATOM 1198 O SER A 79 -15.397 -7.716 7.308 1.00 75.24 O ATOM 1199 CB SER A 79 -17.296 -6.671 4.931 1.00 61.41 C ATOM 1200 OG SER A 79 -17.271 -6.312 3.552 1.00 21.11 O ATOM 0 H SER A 79 -14.951 -6.873 4.141 1.00 51.11 H new ATOM 0 HA SER A 79 -16.261 -5.007 5.778 1.00 61.40 H new ATOM 0 HB2 SER A 79 -17.285 -7.757 5.023 1.00 61.41 H new ATOM 0 HB3 SER A 79 -18.226 -6.323 5.379 1.00 61.41 H new ATOM 0 HG SER A 79 -16.763 -6.982 3.049 1.00 21.11 H new ATOM 1206 N ASP A 80 -16.697 -6.014 8.035 1.00 71.24 N ATOM 1207 CA ASP A 80 -16.714 -6.469 9.414 1.00 32.54 C ATOM 1208 C ASP A 80 -16.856 -7.993 9.443 1.00 44.34 C ATOM 1209 O ASP A 80 -16.357 -8.649 10.356 1.00 71.14 O ATOM 1210 CB ASP A 80 -17.897 -5.871 10.177 1.00 14.33 C ATOM 1211 CG ASP A 80 -19.130 -5.567 9.324 1.00 73.13 C ATOM 1212 OD1 ASP A 80 -19.659 -4.445 9.341 1.00 64.41 O ATOM 1213 OD2 ASP A 80 -19.555 -6.554 8.609 1.00 43.52 O ATOM 0 H ASP A 80 -17.225 -5.159 7.862 1.00 71.24 H new ATOM 0 HA ASP A 80 -15.783 -6.152 9.884 1.00 32.54 H new ATOM 0 HB2 ASP A 80 -18.184 -6.561 10.971 1.00 14.33 H new ATOM 0 HB3 ASP A 80 -17.571 -4.949 10.658 1.00 14.33 H new ATOM 1219 N ALA A 81 -17.537 -8.511 8.432 1.00 55.54 N ATOM 1220 CA ALA A 81 -17.751 -9.944 8.329 1.00 62.20 C ATOM 1221 C ALA A 81 -16.418 -10.634 8.030 1.00 0.41 C ATOM 1222 O ALA A 81 -15.915 -11.401 8.849 1.00 62.21 O ATOM 1223 CB ALA A 81 -18.807 -10.228 7.259 1.00 61.10 C ATOM 0 H ALA A 81 -17.948 -7.963 7.676 1.00 55.54 H new ATOM 0 HA ALA A 81 -18.126 -10.344 9.271 1.00 62.20 H new ATOM 0 HB1 ALA A 81 -18.967 -11.303 7.182 1.00 61.10 H new ATOM 0 HB2 ALA A 81 -19.743 -9.740 7.533 1.00 61.10 H new ATOM 0 HB3 ALA A 81 -18.465 -9.843 6.299 1.00 61.10 H new ATOM 1229 N GLU A 82 -15.884 -10.335 6.855 1.00 52.22 N ATOM 1230 CA GLU A 82 -14.620 -10.916 6.438 1.00 64.23 C ATOM 1231 C GLU A 82 -13.575 -10.764 7.545 1.00 64.31 C ATOM 1232 O GLU A 82 -12.920 -11.735 7.923 1.00 13.32 O ATOM 1233 CB GLU A 82 -14.131 -10.286 5.132 1.00 24.11 C ATOM 1234 CG GLU A 82 -15.084 -10.604 3.979 1.00 72.33 C ATOM 1235 CD GLU A 82 -16.171 -9.534 3.854 1.00 24.14 C ATOM 1236 OE1 GLU A 82 -17.359 -9.832 4.046 1.00 70.04 O ATOM 1237 OE2 GLU A 82 -15.743 -8.356 3.548 1.00 31.22 O ATOM 0 H GLU A 82 -16.304 -9.698 6.179 1.00 52.22 H new ATOM 0 HA GLU A 82 -14.774 -11.979 6.254 1.00 64.23 H new ATOM 0 HB2 GLU A 82 -14.049 -9.206 5.253 1.00 24.11 H new ATOM 0 HB3 GLU A 82 -13.133 -10.657 4.897 1.00 24.11 H new ATOM 0 HG2 GLU A 82 -14.523 -10.668 3.046 1.00 72.33 H new ATOM 0 HG3 GLU A 82 -15.545 -11.578 4.142 1.00 72.33 H new ATOM 1245 N THR A 83 -13.450 -9.539 8.033 1.00 14.03 N ATOM 1246 CA THR A 83 -12.496 -9.248 9.090 1.00 51.54 C ATOM 1247 C THR A 83 -12.808 -10.080 10.335 1.00 60.13 C ATOM 1248 O THR A 83 -11.898 -10.531 11.029 1.00 42.35 O ATOM 1249 CB THR A 83 -12.520 -7.739 9.345 1.00 20.34 C ATOM 1250 OG1 THR A 83 -12.000 -7.175 8.144 1.00 34.24 O ATOM 1251 CG2 THR A 83 -11.519 -7.312 10.421 1.00 14.11 C ATOM 0 H THR A 83 -13.993 -8.736 7.716 1.00 14.03 H new ATOM 0 HA THR A 83 -11.484 -9.527 8.797 1.00 51.54 H new ATOM 0 HB THR A 83 -13.524 -7.437 9.642 1.00 20.34 H new ATOM 0 HG1 THR A 83 -12.659 -6.560 7.759 1.00 34.24 H new ATOM 0 HG21 THR A 83 -11.576 -6.233 10.563 1.00 14.11 H new ATOM 0 HG22 THR A 83 -11.756 -7.815 11.359 1.00 14.11 H new ATOM 0 HG23 THR A 83 -10.511 -7.584 10.108 1.00 14.11 H new ATOM 1259 N LYS A 84 -14.098 -10.259 10.580 1.00 63.12 N ATOM 1260 CA LYS A 84 -14.541 -11.030 11.729 1.00 11.52 C ATOM 1261 C LYS A 84 -13.985 -12.452 11.630 1.00 54.44 C ATOM 1262 O LYS A 84 -13.405 -12.963 12.586 1.00 72.52 O ATOM 1263 CB LYS A 84 -16.065 -10.972 11.857 1.00 23.22 C ATOM 1264 CG LYS A 84 -16.492 -9.865 12.823 1.00 75.11 C ATOM 1265 CD LYS A 84 -17.971 -9.517 12.638 1.00 61.22 C ATOM 1266 CE LYS A 84 -18.539 -8.851 13.893 1.00 45.14 C ATOM 1267 NZ LYS A 84 -17.534 -7.950 14.501 1.00 61.13 N ATOM 0 H LYS A 84 -14.850 -9.883 10.002 1.00 63.12 H new ATOM 0 HA LYS A 84 -14.150 -10.599 12.651 1.00 11.52 H new ATOM 0 HB2 LYS A 84 -16.509 -10.796 10.877 1.00 23.22 H new ATOM 0 HB3 LYS A 84 -16.441 -11.932 12.210 1.00 23.22 H new ATOM 0 HG2 LYS A 84 -16.316 -10.185 13.850 1.00 75.11 H new ATOM 0 HG3 LYS A 84 -15.882 -8.977 12.657 1.00 75.11 H new ATOM 0 HD2 LYS A 84 -18.087 -8.850 11.784 1.00 61.22 H new ATOM 0 HD3 LYS A 84 -18.536 -10.422 12.415 1.00 61.22 H new ATOM 0 HE2 LYS A 84 -19.436 -8.286 13.638 1.00 45.14 H new ATOM 0 HE3 LYS A 84 -18.836 -9.613 14.614 1.00 45.14 H new ATOM 0 HZ1 LYS A 84 -18.013 -7.255 15.109 1.00 61.13 H new ATOM 0 HZ2 LYS A 84 -16.867 -8.508 15.072 1.00 61.13 H new ATOM 0 HZ3 LYS A 84 -17.014 -7.452 13.750 1.00 61.13 H new ATOM 1280 N ALA A 85 -14.183 -13.049 10.464 1.00 64.42 N ATOM 1281 CA ALA A 85 -13.708 -14.402 10.227 1.00 75.31 C ATOM 1282 C ALA A 85 -12.181 -14.394 10.136 1.00 32.33 C ATOM 1283 O ALA A 85 -11.544 -15.442 10.238 1.00 52.32 O ATOM 1284 CB ALA A 85 -14.365 -14.959 8.962 1.00 64.21 C ATOM 0 H ALA A 85 -14.665 -12.621 9.674 1.00 64.42 H new ATOM 0 HA ALA A 85 -13.985 -15.056 11.054 1.00 75.31 H new ATOM 0 HB1 ALA A 85 -14.009 -15.974 8.784 1.00 64.21 H new ATOM 0 HB2 ALA A 85 -15.447 -14.971 9.089 1.00 64.21 H new ATOM 0 HB3 ALA A 85 -14.107 -14.329 8.111 1.00 64.21 H new ATOM 1290 N PHE A 86 -11.638 -13.201 9.946 1.00 2.03 N ATOM 1291 CA PHE A 86 -10.197 -13.043 9.841 1.00 52.20 C ATOM 1292 C PHE A 86 -9.550 -12.978 11.226 1.00 40.21 C ATOM 1293 O PHE A 86 -8.416 -13.419 11.406 1.00 10.14 O ATOM 1294 CB PHE A 86 -9.945 -11.722 9.111 1.00 65.44 C ATOM 1295 CG PHE A 86 -8.664 -11.710 8.273 1.00 2.45 C ATOM 1296 CD1 PHE A 86 -7.698 -12.642 8.493 1.00 13.25 C ATOM 1297 CD2 PHE A 86 -8.491 -10.766 7.310 1.00 41.15 C ATOM 1298 CE1 PHE A 86 -6.510 -12.630 7.717 1.00 42.13 C ATOM 1299 CE2 PHE A 86 -7.302 -10.754 6.533 1.00 53.03 C ATOM 1300 CZ PHE A 86 -6.337 -11.686 6.753 1.00 62.23 C ATOM 0 H PHE A 86 -12.169 -12.334 9.862 1.00 2.03 H new ATOM 0 HA PHE A 86 -9.767 -13.891 9.308 1.00 52.20 H new ATOM 0 HB2 PHE A 86 -10.794 -11.510 8.461 1.00 65.44 H new ATOM 0 HB3 PHE A 86 -9.895 -10.917 9.844 1.00 65.44 H new ATOM 0 HD1 PHE A 86 -7.835 -13.391 9.259 1.00 13.25 H new ATOM 0 HD2 PHE A 86 -9.257 -10.025 7.136 1.00 41.15 H new ATOM 0 HE1 PHE A 86 -5.743 -13.370 7.892 1.00 42.13 H new ATOM 0 HE2 PHE A 86 -7.165 -10.005 5.768 1.00 53.03 H new ATOM 0 HZ PHE A 86 -5.433 -11.677 6.162 1.00 62.23 H new ATOM 1310 N LEU A 87 -10.299 -12.424 12.168 1.00 23.34 N ATOM 1311 CA LEU A 87 -9.812 -12.296 13.532 1.00 51.14 C ATOM 1312 C LEU A 87 -9.858 -13.663 14.216 1.00 74.51 C ATOM 1313 O LEU A 87 -8.820 -14.219 14.572 1.00 13.34 O ATOM 1314 CB LEU A 87 -10.588 -11.208 14.277 1.00 31.43 C ATOM 1315 CG LEU A 87 -10.307 -11.093 15.777 1.00 54.31 C ATOM 1316 CD1 LEU A 87 -8.889 -10.579 16.031 1.00 23.41 C ATOM 1317 CD2 LEU A 87 -11.363 -10.226 16.467 1.00 23.21 C ATOM 0 H LEU A 87 -11.239 -12.059 12.014 1.00 23.34 H new ATOM 0 HA LEU A 87 -8.771 -11.973 13.537 1.00 51.14 H new ATOM 0 HB2 LEU A 87 -10.367 -10.248 13.811 1.00 31.43 H new ATOM 0 HB3 LEU A 87 -11.654 -11.391 14.140 1.00 31.43 H new ATOM 0 HG LEU A 87 -10.372 -12.089 16.214 1.00 54.31 H new ATOM 0 HD11 LEU A 87 -8.715 -10.506 17.105 1.00 23.41 H new ATOM 0 HD12 LEU A 87 -8.168 -11.269 15.592 1.00 23.41 H new ATOM 0 HD13 LEU A 87 -8.772 -9.595 15.577 1.00 23.41 H new ATOM 0 HD21 LEU A 87 -11.140 -10.160 17.532 1.00 23.21 H new ATOM 0 HD22 LEU A 87 -11.354 -9.227 16.032 1.00 23.21 H new ATOM 0 HD23 LEU A 87 -12.348 -10.673 16.329 1.00 23.21 H new ATOM 1329 N LYS A 88 -11.073 -14.167 14.379 1.00 61.21 N ATOM 1330 CA LYS A 88 -11.268 -15.459 15.014 1.00 32.33 C ATOM 1331 C LYS A 88 -10.459 -16.519 14.264 1.00 22.12 C ATOM 1332 O LYS A 88 -10.175 -17.587 14.805 1.00 12.33 O ATOM 1333 CB LYS A 88 -12.760 -15.785 15.119 1.00 5.24 C ATOM 1334 CG LYS A 88 -13.338 -15.283 16.444 1.00 31.51 C ATOM 1335 CD LYS A 88 -14.864 -15.193 16.377 1.00 60.32 C ATOM 1336 CE LYS A 88 -15.461 -14.962 17.766 1.00 13.22 C ATOM 1337 NZ LYS A 88 -15.195 -13.579 18.221 1.00 4.02 N ATOM 0 H LYS A 88 -11.932 -13.704 14.082 1.00 61.21 H new ATOM 0 HA LYS A 88 -10.896 -15.439 16.038 1.00 32.33 H new ATOM 0 HB2 LYS A 88 -13.296 -15.327 14.287 1.00 5.24 H new ATOM 0 HB3 LYS A 88 -12.907 -16.862 15.038 1.00 5.24 H new ATOM 0 HG2 LYS A 88 -13.045 -15.955 17.251 1.00 31.51 H new ATOM 0 HG3 LYS A 88 -12.922 -14.303 16.678 1.00 31.51 H new ATOM 0 HD2 LYS A 88 -15.155 -14.380 15.712 1.00 60.32 H new ATOM 0 HD3 LYS A 88 -15.268 -16.112 15.952 1.00 60.32 H new ATOM 0 HE2 LYS A 88 -16.536 -15.143 17.741 1.00 13.22 H new ATOM 0 HE3 LYS A 88 -15.035 -15.672 18.474 1.00 13.22 H new ATOM 0 HZ1 LYS A 88 -15.607 -13.439 19.166 1.00 4.02 H new ATOM 0 HZ2 LYS A 88 -14.168 -13.419 18.264 1.00 4.02 H new ATOM 0 HZ3 LYS A 88 -15.623 -12.906 17.554 1.00 4.02 H new ATOM 1350 N ALA A 89 -10.110 -16.187 13.030 1.00 62.31 N ATOM 1351 CA ALA A 89 -9.339 -17.097 12.200 1.00 23.20 C ATOM 1352 C ALA A 89 -7.984 -17.360 12.861 1.00 33.25 C ATOM 1353 O ALA A 89 -7.620 -18.510 13.102 1.00 22.11 O ATOM 1354 CB ALA A 89 -9.197 -16.510 10.794 1.00 22.32 C ATOM 0 H ALA A 89 -10.347 -15.300 12.585 1.00 62.31 H new ATOM 0 HA ALA A 89 -9.851 -18.055 12.104 1.00 23.20 H new ATOM 0 HB1 ALA A 89 -8.619 -17.193 10.171 1.00 22.32 H new ATOM 0 HB2 ALA A 89 -10.186 -16.369 10.357 1.00 22.32 H new ATOM 0 HB3 ALA A 89 -8.685 -15.549 10.851 1.00 22.32 H new ATOM 1360 N GLY A 90 -7.276 -16.275 13.137 1.00 64.23 N ATOM 1361 CA GLY A 90 -5.969 -16.374 13.766 1.00 74.13 C ATOM 1362 C GLY A 90 -6.079 -16.221 15.284 1.00 1.41 C ATOM 1363 O GLY A 90 -5.661 -17.103 16.032 1.00 10.24 O ATOM 0 H GLY A 90 -7.582 -15.323 12.937 1.00 64.23 H new ATOM 0 HA2 GLY A 90 -5.518 -17.337 13.526 1.00 74.13 H new ATOM 0 HA3 GLY A 90 -5.310 -15.604 13.366 1.00 74.13 H new ATOM 1367 N ASP A 91 -6.643 -15.094 15.694 1.00 70.03 N ATOM 1368 CA ASP A 91 -6.813 -14.814 17.109 1.00 2.34 C ATOM 1369 C ASP A 91 -7.666 -15.914 17.744 1.00 25.01 C ATOM 1370 O ASP A 91 -8.813 -16.119 17.352 1.00 13.31 O ATOM 1371 CB ASP A 91 -7.528 -13.478 17.325 1.00 64.35 C ATOM 1372 CG ASP A 91 -7.164 -12.752 18.621 1.00 41.41 C ATOM 1373 OD1 ASP A 91 -5.985 -12.666 18.996 1.00 51.53 O ATOM 1374 OD2 ASP A 91 -8.164 -12.254 19.266 1.00 51.43 O ATOM 0 H ASP A 91 -6.988 -14.364 15.070 1.00 70.03 H new ATOM 0 HA ASP A 91 -5.824 -14.772 17.565 1.00 2.34 H new ATOM 0 HB2 ASP A 91 -7.303 -12.823 16.484 1.00 64.35 H new ATOM 0 HB3 ASP A 91 -8.604 -13.653 17.314 1.00 64.35 H new ATOM 1380 N SER A 92 -7.071 -16.594 18.714 1.00 53.41 N ATOM 1381 CA SER A 92 -7.762 -17.668 19.407 1.00 51.03 C ATOM 1382 C SER A 92 -8.286 -17.169 20.755 1.00 60.40 C ATOM 1383 O SER A 92 -9.151 -17.737 21.393 1.00 65.31 O ATOM 1384 CB SER A 92 -6.843 -18.874 19.608 1.00 62.33 C ATOM 1385 OG SER A 92 -7.541 -19.993 20.148 1.00 63.34 O ATOM 0 H SER A 92 -6.119 -16.422 19.036 1.00 53.41 H new ATOM 0 HA SER A 92 -8.604 -17.986 18.792 1.00 51.03 H new ATOM 0 HB2 SER A 92 -6.396 -19.152 18.654 1.00 62.33 H new ATOM 0 HB3 SER A 92 -6.026 -18.600 20.275 1.00 62.33 H new ATOM 0 HG SER A 92 -6.920 -20.743 20.260 1.00 63.34 H new ATOM 1391 N ASP A 93 -7.734 -16.070 21.188 1.00 1.14 N ATOM 1392 CA ASP A 93 -8.162 -15.479 22.487 1.00 12.34 C ATOM 1393 C ASP A 93 -9.261 -14.437 22.252 1.00 74.54 C ATOM 1394 O ASP A 93 -9.922 -14.068 23.221 1.00 32.52 O ATOM 1395 CB ASP A 93 -6.906 -14.815 23.053 1.00 34.04 C ATOM 1396 CG ASP A 93 -6.609 -13.533 22.273 1.00 32.35 C ATOM 1397 OD1 ASP A 93 -6.015 -12.636 22.849 1.00 21.34 O ATOM 1398 OD2 ASP A 93 -6.982 -13.468 21.113 1.00 3.24 O ATOM 0 H ASP A 93 -7.003 -15.554 20.697 1.00 1.14 H new ATOM 0 HA ASP A 93 -8.569 -16.226 23.169 1.00 12.34 H new ATOM 0 HB2 ASP A 93 -7.048 -14.586 24.109 1.00 34.04 H new ATOM 0 HB3 ASP A 93 -6.059 -15.498 22.986 1.00 34.04 H new ATOM 1403 N GLY A 94 -9.431 -13.993 21.015 1.00 23.10 N ATOM 1404 CA GLY A 94 -10.448 -13.002 20.709 1.00 42.42 C ATOM 1405 C GLY A 94 -10.303 -11.772 21.608 1.00 40.24 C ATOM 1406 O GLY A 94 -11.220 -11.433 22.354 1.00 2.13 O ATOM 0 H GLY A 94 -8.881 -14.302 20.213 1.00 23.10 H new ATOM 0 HA2 GLY A 94 -10.368 -12.704 19.664 1.00 42.42 H new ATOM 0 HA3 GLY A 94 -11.438 -13.439 20.841 1.00 42.42 H new ATOM 1410 N ASP A 95 -9.144 -11.137 21.506 1.00 73.41 N ATOM 1411 CA ASP A 95 -8.868 -9.953 22.300 1.00 4.43 C ATOM 1412 C ASP A 95 -9.038 -8.707 21.428 1.00 64.55 C ATOM 1413 O ASP A 95 -9.242 -7.609 21.941 1.00 53.53 O ATOM 1414 CB ASP A 95 -7.432 -9.967 22.829 1.00 11.11 C ATOM 1415 CG ASP A 95 -6.348 -10.064 21.754 1.00 41.11 C ATOM 1416 OD1 ASP A 95 -6.515 -10.757 20.739 1.00 2.03 O ATOM 1417 OD2 ASP A 95 -5.280 -9.381 21.993 1.00 11.32 O ATOM 0 H ASP A 95 -8.386 -11.421 20.885 1.00 73.41 H new ATOM 0 HA ASP A 95 -9.562 -9.942 23.140 1.00 4.43 H new ATOM 0 HB2 ASP A 95 -7.266 -9.060 23.410 1.00 11.11 H new ATOM 0 HB3 ASP A 95 -7.321 -10.809 23.513 1.00 11.11 H new ATOM 1423 N GLY A 96 -8.946 -8.921 20.123 1.00 34.42 N ATOM 1424 CA GLY A 96 -9.088 -7.830 19.174 1.00 25.12 C ATOM 1425 C GLY A 96 -7.753 -7.521 18.492 1.00 75.04 C ATOM 1426 O GLY A 96 -7.679 -6.638 17.638 1.00 25.24 O ATOM 0 H GLY A 96 -8.775 -9.834 19.701 1.00 34.42 H new ATOM 0 HA2 GLY A 96 -9.833 -8.091 18.422 1.00 25.12 H new ATOM 0 HA3 GLY A 96 -9.453 -6.941 19.688 1.00 25.12 H new ATOM 1430 N LYS A 97 -6.733 -8.265 18.893 1.00 35.21 N ATOM 1431 CA LYS A 97 -5.406 -8.082 18.331 1.00 52.31 C ATOM 1432 C LYS A 97 -4.849 -9.439 17.896 1.00 12.21 C ATOM 1433 O LYS A 97 -5.166 -10.465 18.496 1.00 53.13 O ATOM 1434 CB LYS A 97 -4.506 -7.334 19.316 1.00 25.33 C ATOM 1435 CG LYS A 97 -5.231 -6.128 19.916 1.00 51.02 C ATOM 1436 CD LYS A 97 -4.262 -5.239 20.698 1.00 54.42 C ATOM 1437 CE LYS A 97 -3.861 -5.895 22.020 1.00 20.31 C ATOM 1438 NZ LYS A 97 -2.722 -5.175 22.631 1.00 24.35 N ATOM 0 H LYS A 97 -6.799 -8.996 19.601 1.00 35.21 H new ATOM 0 HA LYS A 97 -5.453 -7.456 17.440 1.00 52.31 H new ATOM 0 HB2 LYS A 97 -4.194 -8.009 20.113 1.00 25.33 H new ATOM 0 HB3 LYS A 97 -3.601 -7.002 18.807 1.00 25.33 H new ATOM 0 HG2 LYS A 97 -5.700 -5.549 19.121 1.00 51.02 H new ATOM 0 HG3 LYS A 97 -6.029 -6.470 20.575 1.00 51.02 H new ATOM 0 HD2 LYS A 97 -3.372 -5.049 20.098 1.00 54.42 H new ATOM 0 HD3 LYS A 97 -4.727 -4.273 20.894 1.00 54.42 H new ATOM 0 HE2 LYS A 97 -4.709 -5.894 22.705 1.00 20.31 H new ATOM 0 HE3 LYS A 97 -3.590 -6.937 21.848 1.00 20.31 H new ATOM 0 HZ1 LYS A 97 -2.549 -5.546 23.587 1.00 24.35 H new ATOM 0 HZ2 LYS A 97 -1.872 -5.312 22.048 1.00 24.35 H new ATOM 0 HZ3 LYS A 97 -2.943 -4.160 22.688 1.00 24.35 H new ATOM 1451 N ILE A 98 -4.028 -9.400 16.857 1.00 75.22 N ATOM 1452 CA ILE A 98 -3.424 -10.614 16.335 1.00 73.32 C ATOM 1453 C ILE A 98 -1.915 -10.408 16.196 1.00 64.43 C ATOM 1454 O ILE A 98 -1.457 -9.753 15.261 1.00 54.14 O ATOM 1455 CB ILE A 98 -4.110 -11.037 15.034 1.00 63.40 C ATOM 1456 CG1 ILE A 98 -5.423 -11.769 15.319 1.00 1.00 C ATOM 1457 CG2 ILE A 98 -3.167 -11.870 14.163 1.00 22.22 C ATOM 1458 CD1 ILE A 98 -5.911 -12.522 14.080 1.00 21.50 C ATOM 0 H ILE A 98 -3.767 -8.547 16.363 1.00 75.22 H new ATOM 0 HA ILE A 98 -3.570 -11.442 17.029 1.00 73.32 H new ATOM 0 HB ILE A 98 -4.359 -10.137 14.471 1.00 63.40 H new ATOM 0 HG12 ILE A 98 -5.282 -12.469 16.142 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -6.181 -11.053 15.636 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -3.679 -12.158 13.245 1.00 22.22 H new ATOM 0 HG22 ILE A 98 -2.284 -11.281 13.917 1.00 22.22 H new ATOM 0 HG23 ILE A 98 -2.866 -12.766 14.706 1.00 22.22 H new ATOM 0 HD11 ILE A 98 -6.846 -13.034 14.310 1.00 21.50 H new ATOM 0 HD12 ILE A 98 -6.074 -11.816 13.266 1.00 21.50 H new ATOM 0 HD13 ILE A 98 -5.161 -13.254 13.780 1.00 21.50 H new ATOM 1470 N GLY A 99 -1.182 -10.980 17.140 1.00 71.51 N ATOM 1471 CA GLY A 99 0.267 -10.868 17.134 1.00 15.05 C ATOM 1472 C GLY A 99 0.869 -11.598 15.932 1.00 13.21 C ATOM 1473 O GLY A 99 0.164 -11.906 14.972 1.00 23.10 O ATOM 0 H GLY A 99 -1.564 -11.523 17.914 1.00 71.51 H new ATOM 0 HA2 GLY A 99 0.554 -9.817 17.106 1.00 15.05 H new ATOM 0 HA3 GLY A 99 0.671 -11.285 18.057 1.00 15.05 H new ATOM 1477 N ILE A 100 2.166 -11.853 16.024 1.00 35.10 N ATOM 1478 CA ILE A 100 2.870 -12.541 14.956 1.00 44.03 C ATOM 1479 C ILE A 100 2.655 -14.049 15.097 1.00 23.21 C ATOM 1480 O ILE A 100 2.568 -14.764 14.100 1.00 43.44 O ATOM 1481 CB ILE A 100 4.344 -12.129 14.934 1.00 32.31 C ATOM 1482 CG1 ILE A 100 4.895 -12.139 13.507 1.00 51.43 C ATOM 1483 CG2 ILE A 100 5.172 -13.007 15.874 1.00 23.41 C ATOM 1484 CD1 ILE A 100 5.227 -13.563 13.056 1.00 14.34 C ATOM 0 H ILE A 100 2.747 -11.595 16.822 1.00 35.10 H new ATOM 0 HA ILE A 100 2.467 -12.251 13.986 1.00 44.03 H new ATOM 0 HB ILE A 100 4.418 -11.105 15.300 1.00 32.31 H new ATOM 0 HG12 ILE A 100 4.164 -11.700 12.828 1.00 51.43 H new ATOM 0 HG13 ILE A 100 5.790 -11.519 13.455 1.00 51.43 H new ATOM 0 HG21 ILE A 100 6.215 -12.694 15.840 1.00 23.41 H new ATOM 0 HG22 ILE A 100 4.796 -12.906 16.892 1.00 23.41 H new ATOM 0 HG23 ILE A 100 5.095 -14.048 15.561 1.00 23.41 H new ATOM 0 HD11 ILE A 100 5.617 -13.541 12.038 1.00 14.34 H new ATOM 0 HD12 ILE A 100 5.976 -13.990 13.722 1.00 14.34 H new ATOM 0 HD13 ILE A 100 4.325 -14.174 13.086 1.00 14.34 H new ATOM 1496 N ASP A 101 2.576 -14.489 16.344 1.00 12.13 N ATOM 1497 CA ASP A 101 2.373 -15.899 16.629 1.00 35.21 C ATOM 1498 C ASP A 101 0.966 -16.307 16.187 1.00 53.31 C ATOM 1499 O ASP A 101 0.732 -17.462 15.833 1.00 4.53 O ATOM 1500 CB ASP A 101 2.498 -16.182 18.127 1.00 33.24 C ATOM 1501 CG ASP A 101 3.471 -15.271 18.878 1.00 22.44 C ATOM 1502 OD1 ASP A 101 3.061 -14.308 19.543 1.00 41.04 O ATOM 1503 OD2 ASP A 101 4.716 -15.589 18.760 1.00 10.50 O ATOM 0 H ASP A 101 2.649 -13.893 17.169 1.00 12.13 H new ATOM 0 HA ASP A 101 3.134 -16.464 16.090 1.00 35.21 H new ATOM 0 HB2 ASP A 101 1.512 -16.089 18.582 1.00 33.24 H new ATOM 0 HB3 ASP A 101 2.815 -17.216 18.261 1.00 33.24 H new ATOM 1509 N GLU A 102 0.065 -15.336 16.221 1.00 13.14 N ATOM 1510 CA GLU A 102 -1.313 -15.579 15.829 1.00 61.14 C ATOM 1511 C GLU A 102 -1.480 -15.369 14.322 1.00 15.14 C ATOM 1512 O GLU A 102 -2.227 -16.097 13.670 1.00 64.03 O ATOM 1513 CB GLU A 102 -2.274 -14.687 16.617 1.00 45.41 C ATOM 1514 CG GLU A 102 -2.704 -15.362 17.921 1.00 51.33 C ATOM 1515 CD GLU A 102 -2.971 -14.324 19.013 1.00 75.10 C ATOM 1516 OE1 GLU A 102 -2.088 -13.461 19.205 1.00 64.34 O ATOM 1517 OE2 GLU A 102 -4.054 -14.417 19.632 1.00 63.34 O ATOM 0 H GLU A 102 0.263 -14.379 16.514 1.00 13.14 H new ATOM 0 HA GLU A 102 -1.559 -16.615 16.062 1.00 61.14 H new ATOM 0 HB2 GLU A 102 -1.793 -13.734 16.838 1.00 45.41 H new ATOM 0 HB3 GLU A 102 -3.152 -14.467 16.010 1.00 45.41 H new ATOM 0 HG2 GLU A 102 -3.603 -15.954 17.749 1.00 51.33 H new ATOM 0 HG3 GLU A 102 -1.927 -16.051 18.251 1.00 51.33 H new ATOM 1524 N PHE A 103 -0.774 -14.370 13.814 1.00 1.14 N ATOM 1525 CA PHE A 103 -0.835 -14.055 12.397 1.00 0.23 C ATOM 1526 C PHE A 103 -0.090 -15.104 11.570 1.00 44.24 C ATOM 1527 O PHE A 103 -0.461 -15.378 10.429 1.00 24.45 O ATOM 1528 CB PHE A 103 -0.154 -12.697 12.211 1.00 21.52 C ATOM 1529 CG PHE A 103 0.290 -12.416 10.774 1.00 1.13 C ATOM 1530 CD1 PHE A 103 -0.623 -12.427 9.766 1.00 4.51 C ATOM 1531 CD2 PHE A 103 1.597 -12.155 10.505 1.00 24.03 C ATOM 1532 CE1 PHE A 103 -0.211 -12.165 8.433 1.00 65.34 C ATOM 1533 CE2 PHE A 103 2.010 -11.894 9.172 1.00 55.22 C ATOM 1534 CZ PHE A 103 1.097 -11.904 8.164 1.00 72.45 C ATOM 0 H PHE A 103 -0.156 -13.768 14.359 1.00 1.14 H new ATOM 0 HA PHE A 103 -1.873 -14.039 12.063 1.00 0.23 H new ATOM 0 HB2 PHE A 103 -0.840 -11.912 12.529 1.00 21.52 H new ATOM 0 HB3 PHE A 103 0.716 -12.645 12.866 1.00 21.52 H new ATOM 0 HD1 PHE A 103 -1.661 -12.635 9.980 1.00 4.51 H new ATOM 0 HD2 PHE A 103 2.321 -12.146 11.306 1.00 24.03 H new ATOM 0 HE1 PHE A 103 -0.936 -12.173 7.632 1.00 65.34 H new ATOM 0 HE2 PHE A 103 3.048 -11.688 8.959 1.00 55.22 H new ATOM 0 HZ PHE A 103 1.410 -11.705 7.150 1.00 72.45 H new ATOM 1544 N ALA A 104 0.948 -15.662 12.176 1.00 40.51 N ATOM 1545 CA ALA A 104 1.749 -16.674 11.509 1.00 32.32 C ATOM 1546 C ALA A 104 1.119 -18.050 11.740 1.00 4.44 C ATOM 1547 O ALA A 104 1.593 -19.051 11.205 1.00 11.22 O ATOM 1548 CB ALA A 104 3.191 -16.600 12.016 1.00 74.33 C ATOM 0 H ALA A 104 1.253 -15.432 13.122 1.00 40.51 H new ATOM 0 HA ALA A 104 1.773 -16.498 10.434 1.00 32.32 H new ATOM 0 HB1 ALA A 104 3.792 -17.359 11.516 1.00 74.33 H new ATOM 0 HB2 ALA A 104 3.602 -15.613 11.802 1.00 74.33 H new ATOM 0 HB3 ALA A 104 3.208 -16.775 13.092 1.00 74.33 H new ATOM 1554 N ALA A 105 0.062 -18.054 12.538 1.00 33.33 N ATOM 1555 CA ALA A 105 -0.637 -19.290 12.847 1.00 74.21 C ATOM 1556 C ALA A 105 -1.667 -19.576 11.752 1.00 52.41 C ATOM 1557 O ALA A 105 -1.665 -20.653 11.158 1.00 45.42 O ATOM 1558 CB ALA A 105 -1.275 -19.184 14.234 1.00 50.44 C ATOM 0 H ALA A 105 -0.328 -17.221 12.980 1.00 33.33 H new ATOM 0 HA ALA A 105 0.059 -20.128 12.872 1.00 74.21 H new ATOM 0 HB1 ALA A 105 -1.799 -20.111 14.465 1.00 50.44 H new ATOM 0 HB2 ALA A 105 -0.499 -19.010 14.979 1.00 50.44 H new ATOM 0 HB3 ALA A 105 -1.982 -18.355 14.247 1.00 50.44 H new ATOM 1564 N MET A 106 -2.523 -18.592 11.518 1.00 12.32 N ATOM 1565 CA MET A 106 -3.556 -18.724 10.505 1.00 15.41 C ATOM 1566 C MET A 106 -2.960 -19.170 9.169 1.00 73.04 C ATOM 1567 O MET A 106 -3.671 -19.695 8.312 1.00 5.34 O ATOM 1568 CB MET A 106 -4.268 -17.381 10.324 1.00 72.40 C ATOM 1569 CG MET A 106 -3.265 -16.264 10.033 1.00 3.44 C ATOM 1570 SD MET A 106 -3.911 -14.700 10.602 1.00 10.11 S ATOM 1571 CE MET A 106 -5.532 -14.745 9.856 1.00 12.04 C ATOM 0 H MET A 106 -2.522 -17.700 12.013 1.00 12.32 H new ATOM 0 HA MET A 106 -4.267 -19.481 10.835 1.00 15.41 H new ATOM 0 HB2 MET A 106 -4.985 -17.453 9.506 1.00 72.40 H new ATOM 0 HB3 MET A 106 -4.834 -17.141 11.224 1.00 72.40 H new ATOM 0 HG2 MET A 106 -2.317 -16.477 10.528 1.00 3.44 H new ATOM 0 HG3 MET A 106 -3.062 -16.216 8.963 1.00 3.44 H new ATOM 0 HE1 MET A 106 -6.000 -13.765 9.944 1.00 12.04 H new ATOM 0 HE2 MET A 106 -5.441 -15.010 8.803 1.00 12.04 H new ATOM 0 HE3 MET A 106 -6.146 -15.488 10.365 1.00 12.04 H new ATOM 1581 N ILE A 107 -1.662 -18.945 9.032 1.00 62.32 N ATOM 1582 CA ILE A 107 -0.962 -19.318 7.814 1.00 0.21 C ATOM 1583 C ILE A 107 -0.258 -20.659 8.026 1.00 64.41 C ATOM 1584 O ILE A 107 -0.292 -21.527 7.155 1.00 41.14 O ATOM 1585 CB ILE A 107 -0.024 -18.194 7.370 1.00 5.12 C ATOM 1586 CG1 ILE A 107 0.787 -17.657 8.552 1.00 33.20 C ATOM 1587 CG2 ILE A 107 -0.797 -17.084 6.655 1.00 61.55 C ATOM 1588 CD1 ILE A 107 1.918 -16.746 8.072 1.00 2.03 C ATOM 0 H ILE A 107 -1.076 -18.509 9.744 1.00 62.32 H new ATOM 0 HA ILE A 107 -1.668 -19.455 6.995 1.00 0.21 H new ATOM 0 HB ILE A 107 0.686 -18.606 6.652 1.00 5.12 H new ATOM 0 HG12 ILE A 107 0.132 -17.105 9.226 1.00 33.20 H new ATOM 0 HG13 ILE A 107 1.202 -18.489 9.121 1.00 33.20 H new ATOM 0 HG21 ILE A 107 -0.106 -16.298 6.350 1.00 61.55 H new ATOM 0 HG22 ILE A 107 -1.292 -17.494 5.774 1.00 61.55 H new ATOM 0 HG23 ILE A 107 -1.545 -16.668 7.330 1.00 61.55 H new ATOM 0 HD11 ILE A 107 2.478 -16.378 8.931 1.00 2.03 H new ATOM 0 HD12 ILE A 107 2.585 -17.308 7.417 1.00 2.03 H new ATOM 0 HD13 ILE A 107 1.498 -15.902 7.525 1.00 2.03 H new ATOM 1600 N LYS A 108 0.365 -20.788 9.189 1.00 54.34 N ATOM 1601 CA LYS A 108 1.076 -22.009 9.526 1.00 70.01 C ATOM 1602 C LYS A 108 0.074 -23.157 9.661 1.00 33.05 C ATOM 1603 O LYS A 108 0.457 -24.326 9.645 1.00 1.33 O ATOM 1604 CB LYS A 108 1.942 -21.799 10.770 1.00 51.54 C ATOM 1605 CG LYS A 108 2.563 -23.117 11.235 1.00 70.21 C ATOM 1606 CD LYS A 108 3.943 -22.885 11.853 1.00 62.20 C ATOM 1607 CE LYS A 108 4.757 -24.180 11.878 1.00 22.45 C ATOM 1608 NZ LYS A 108 6.091 -23.943 12.475 1.00 51.34 N ATOM 0 H LYS A 108 0.392 -20.066 9.909 1.00 54.34 H new ATOM 0 HA LYS A 108 1.766 -22.280 8.727 1.00 70.01 H new ATOM 0 HB2 LYS A 108 2.730 -21.079 10.551 1.00 51.54 H new ATOM 0 HB3 LYS A 108 1.337 -21.375 11.571 1.00 51.54 H new ATOM 0 HG2 LYS A 108 1.909 -23.594 11.965 1.00 70.21 H new ATOM 0 HG3 LYS A 108 2.649 -23.801 10.390 1.00 70.21 H new ATOM 0 HD2 LYS A 108 4.478 -22.126 11.282 1.00 62.20 H new ATOM 0 HD3 LYS A 108 3.831 -22.502 12.867 1.00 62.20 H new ATOM 0 HE2 LYS A 108 4.225 -24.940 12.451 1.00 22.45 H new ATOM 0 HE3 LYS A 108 4.869 -24.566 10.865 1.00 22.45 H new ATOM 0 HZ1 LYS A 108 6.630 -24.832 12.484 1.00 51.34 H new ATOM 0 HZ2 LYS A 108 6.602 -23.234 11.912 1.00 51.34 H new ATOM 0 HZ3 LYS A 108 5.979 -23.596 13.449 1.00 51.34 H new ATOM 1621 N GLY A 109 -1.191 -22.784 9.792 1.00 2.21 N ATOM 1622 CA GLY A 109 -2.251 -23.768 9.930 1.00 11.34 C ATOM 1623 C GLY A 109 -3.570 -23.236 9.365 1.00 63.10 C ATOM 1624 O GLY A 109 -4.212 -23.898 8.552 1.00 72.34 O ATOM 0 H GLY A 109 -1.505 -21.814 9.805 1.00 2.21 H new ATOM 0 HA2 GLY A 109 -1.972 -24.684 9.410 1.00 11.34 H new ATOM 0 HA3 GLY A 109 -2.379 -24.025 10.982 1.00 11.34 H new