USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1078 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 117 ASN : amide:sc= -0.0201 K(o=0.53,f=-0.16) USER MOD Set 1.2: A 121 ASN : amide:sc= 0.551 X(o=0.53,f=0.21) USER MOD Set 2.1: A 102 LYS NZ :NH3+ 180:sc= -0.135 (180deg=-0.135) USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 104 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.2) USER MOD Set 4.1: A 68 TYR OH : rot 16:sc= 0.685 USER MOD Set 4.2: A 88 HIS : no HD1:sc= 0.38 K(o=1.1,f=-2) USER MOD Set 5.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 50 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Set 6.1: A 17 LYS NZ :NH3+ -147:sc= -2.05! (180deg=-3.68!) USER MOD Set 6.2: A 18 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.0627 (180deg=-0.249) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= 0.866 (180deg=0.462) USER MOD Single : A 21 SER OG : rot 68:sc= 0.424 USER MOD Single : A 24 TYR OH : rot -16:sc= 0.482 USER MOD Single : A 26 GLN : amide:sc= -3.2! C(o=-3.2!,f=-6.4!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.892 K(o=-0.89,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.33) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0065 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -86:sc= 0.316 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -2! (180deg=-2.67!) USER MOD Single : A 64 TYR OH : rot 54:sc= -0.706 USER MOD Single : A 65 SER OG : rot -86:sc= 1.01 USER MOD Single : A 66 ASN : amide:sc=-0.00914 X(o=-0.0091,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.068 USER MOD Single : A 74 THR OG1 : rot 64:sc= 0.204 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.32 K(o=-2.3,f=-5.1!) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0.688 (180deg=0.656) USER MOD Single : A 86 THR OG1 : rot -77:sc= 0.0906 USER MOD Single : A 87 LYS NZ :NH3+ 154:sc= 0.236 (180deg=-1.83!) USER MOD Single : A 97 GLN : amide:sc= 0.0251 X(o=0.025,f=0) USER MOD Single : A 105 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.032) USER MOD Single : A 109 THR OG1 : rot -79:sc= 0.785 USER MOD Single : A 110 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.42) USER MOD Single : A 122 SER OG : rot 140:sc= -0.507 USER MOD Single : A 123 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.18) USER MOD Single : A 125 TYR OH : rot 30:sc= -0.0273 USER MOD Single : A 126 ASN : amide:sc= -3.37! C(o=-3.4!,f=-1.7!) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 50:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 15.732 5.888 -9.367 1.00 63.33 N ATOM 43 CA VAL A 3 14.267 6.078 -9.404 1.00 33.13 C ATOM 44 C VAL A 3 13.638 4.785 -9.965 1.00 63.23 C ATOM 45 O VAL A 3 13.827 4.460 -11.137 1.00 74.30 O ATOM 46 CB VAL A 3 13.848 7.324 -10.281 1.00 60.24 C ATOM 47 CG1 VAL A 3 12.303 7.477 -10.361 1.00 25.53 C ATOM 48 CG2 VAL A 3 14.509 8.623 -9.743 1.00 2.24 C ATOM 0 HA VAL A 3 13.907 6.279 -8.395 1.00 33.13 H new ATOM 0 HB VAL A 3 14.210 7.150 -11.294 1.00 60.24 H new ATOM 0 HG11 VAL A 3 12.054 8.345 -10.972 1.00 25.53 H new ATOM 0 HG12 VAL A 3 11.871 6.582 -10.809 1.00 25.53 H new ATOM 0 HG13 VAL A 3 11.898 7.612 -9.358 1.00 25.53 H new ATOM 0 HG21 VAL A 3 14.207 9.468 -10.362 1.00 2.24 H new ATOM 0 HG22 VAL A 3 14.191 8.794 -8.715 1.00 2.24 H new ATOM 0 HG23 VAL A 3 15.594 8.519 -9.775 1.00 2.24 H new ATOM 58 N PHE A 4 12.964 4.017 -9.097 1.00 21.35 N ATOM 59 CA PHE A 4 12.314 2.745 -9.479 1.00 14.03 C ATOM 60 C PHE A 4 11.015 3.009 -10.277 1.00 63.35 C ATOM 61 O PHE A 4 10.024 3.457 -9.714 1.00 14.11 O ATOM 62 CB PHE A 4 12.027 1.886 -8.211 1.00 71.41 C ATOM 63 CG PHE A 4 13.275 1.259 -7.577 1.00 53.50 C ATOM 64 CD1 PHE A 4 14.237 2.052 -6.946 1.00 70.34 C ATOM 65 CD2 PHE A 4 13.490 -0.123 -7.624 1.00 61.41 C ATOM 66 CE1 PHE A 4 15.371 1.487 -6.386 1.00 21.31 C ATOM 67 CE2 PHE A 4 14.623 -0.687 -7.059 1.00 20.34 C ATOM 68 CZ PHE A 4 15.562 0.118 -6.441 1.00 41.23 C ATOM 0 H PHE A 4 12.851 4.255 -8.112 1.00 21.35 H new ATOM 0 HA PHE A 4 12.992 2.188 -10.125 1.00 14.03 H new ATOM 0 HB2 PHE A 4 11.531 2.511 -7.468 1.00 71.41 H new ATOM 0 HB3 PHE A 4 11.330 1.091 -8.475 1.00 71.41 H new ATOM 0 HD1 PHE A 4 14.094 3.121 -6.894 1.00 70.34 H new ATOM 0 HD2 PHE A 4 12.763 -0.759 -8.107 1.00 61.41 H new ATOM 0 HE1 PHE A 4 16.106 2.116 -5.906 1.00 21.31 H new ATOM 0 HE2 PHE A 4 14.772 -1.756 -7.101 1.00 20.34 H new ATOM 0 HZ PHE A 4 16.445 -0.322 -6.001 1.00 41.23 H new ATOM 78 N LYS A 5 11.060 2.767 -11.596 1.00 14.33 N ATOM 79 CA LYS A 5 9.882 2.874 -12.487 1.00 62.11 C ATOM 80 C LYS A 5 9.958 1.813 -13.599 1.00 40.44 C ATOM 81 O LYS A 5 11.051 1.345 -13.954 1.00 54.44 O ATOM 82 CB LYS A 5 9.743 4.303 -13.115 1.00 23.25 C ATOM 83 CG LYS A 5 10.742 4.677 -14.245 1.00 13.02 C ATOM 84 CD LYS A 5 12.208 4.771 -13.778 1.00 51.44 C ATOM 85 CE LYS A 5 13.184 5.042 -14.935 1.00 74.20 C ATOM 86 NZ LYS A 5 13.084 4.014 -16.005 1.00 30.33 N ATOM 0 H LYS A 5 11.914 2.491 -12.081 1.00 14.33 H new ATOM 0 HA LYS A 5 8.997 2.698 -11.876 1.00 62.11 H new ATOM 0 HB2 LYS A 5 8.732 4.403 -13.510 1.00 23.25 H new ATOM 0 HB3 LYS A 5 9.846 5.036 -12.315 1.00 23.25 H new ATOM 0 HG2 LYS A 5 10.671 3.934 -15.039 1.00 13.02 H new ATOM 0 HG3 LYS A 5 10.446 5.634 -14.676 1.00 13.02 H new ATOM 0 HD2 LYS A 5 12.299 5.566 -13.038 1.00 51.44 H new ATOM 0 HD3 LYS A 5 12.487 3.841 -13.283 1.00 51.44 H new ATOM 0 HE2 LYS A 5 12.980 6.026 -15.358 1.00 74.20 H new ATOM 0 HE3 LYS A 5 14.204 5.066 -14.550 1.00 74.20 H new ATOM 0 HZ1 LYS A 5 13.904 4.093 -16.640 1.00 30.33 H new ATOM 0 HZ2 LYS A 5 13.068 3.067 -15.576 1.00 30.33 H new ATOM 0 HZ3 LYS A 5 12.210 4.163 -16.549 1.00 30.33 H new ATOM 100 N ARG A 6 8.788 1.433 -14.132 1.00 65.13 N ATOM 101 CA ARG A 6 8.718 0.531 -15.297 1.00 43.43 C ATOM 102 C ARG A 6 9.186 1.223 -16.588 1.00 63.22 C ATOM 103 O ARG A 6 9.041 2.432 -16.773 1.00 53.31 O ATOM 104 CB ARG A 6 7.296 -0.047 -15.518 1.00 23.44 C ATOM 105 CG ARG A 6 6.897 -1.156 -14.536 1.00 41.14 C ATOM 106 CD ARG A 6 5.516 -1.767 -14.848 1.00 2.55 C ATOM 107 NE ARG A 6 4.478 -0.732 -15.006 1.00 11.10 N ATOM 108 CZ ARG A 6 3.224 -0.949 -15.324 1.00 51.41 C ATOM 109 NH1 ARG A 6 2.745 -2.156 -15.435 1.00 62.01 N ATOM 110 NH2 ARG A 6 2.459 0.063 -15.533 1.00 20.40 N ATOM 0 H ARG A 6 7.879 1.733 -13.779 1.00 65.13 H new ATOM 0 HA ARG A 6 9.394 -0.293 -15.067 1.00 43.43 H new ATOM 0 HB2 ARG A 6 6.572 0.765 -15.442 1.00 23.44 H new ATOM 0 HB3 ARG A 6 7.231 -0.438 -16.533 1.00 23.44 H new ATOM 0 HG2 ARG A 6 7.650 -1.943 -14.560 1.00 41.14 H new ATOM 0 HG3 ARG A 6 6.889 -0.752 -13.524 1.00 41.14 H new ATOM 0 HD2 ARG A 6 5.579 -2.359 -15.761 1.00 2.55 H new ATOM 0 HD3 ARG A 6 5.231 -2.447 -14.046 1.00 2.55 H new ATOM 0 HE ARG A 6 4.759 0.237 -14.855 1.00 11.10 H new ATOM 0 HH11 ARG A 6 3.350 -2.961 -15.273 1.00 62.01 H new ATOM 0 HH12 ARG A 6 1.766 -2.295 -15.684 1.00 62.01 H new ATOM 0 HH21 ARG A 6 2.831 1.009 -15.450 1.00 20.40 H new ATOM 0 HH22 ARG A 6 1.480 -0.080 -15.782 1.00 20.40 H new ATOM 124 N VAL A 7 9.788 0.411 -17.447 1.00 51.44 N ATOM 125 CA VAL A 7 10.008 0.722 -18.857 1.00 74.22 C ATOM 126 C VAL A 7 9.285 -0.374 -19.667 1.00 45.30 C ATOM 127 O VAL A 7 9.574 -1.558 -19.478 1.00 33.02 O ATOM 128 CB VAL A 7 11.543 0.754 -19.225 1.00 1.25 C ATOM 129 CG1 VAL A 7 11.764 1.139 -20.710 1.00 3.41 C ATOM 130 CG2 VAL A 7 12.325 1.705 -18.283 1.00 31.04 C ATOM 0 H VAL A 7 10.146 -0.505 -17.178 1.00 51.44 H new ATOM 0 HA VAL A 7 9.620 1.715 -19.085 1.00 74.22 H new ATOM 0 HB VAL A 7 11.933 -0.254 -19.084 1.00 1.25 H new ATOM 0 HG11 VAL A 7 12.832 1.151 -20.928 1.00 3.41 H new ATOM 0 HG12 VAL A 7 11.271 0.409 -21.352 1.00 3.41 H new ATOM 0 HG13 VAL A 7 11.345 2.128 -20.896 1.00 3.41 H new ATOM 0 HG21 VAL A 7 13.379 1.706 -18.561 1.00 31.04 H new ATOM 0 HG22 VAL A 7 11.925 2.715 -18.372 1.00 31.04 H new ATOM 0 HG23 VAL A 7 12.221 1.363 -17.253 1.00 31.04 H new ATOM 140 N ALA A 8 8.302 0.026 -20.491 1.00 1.45 N ATOM 141 CA ALA A 8 7.579 -0.887 -21.417 1.00 62.14 C ATOM 142 C ALA A 8 8.554 -1.715 -22.307 1.00 71.04 C ATOM 143 O ALA A 8 9.108 -1.210 -23.289 1.00 10.33 O ATOM 144 CB ALA A 8 6.593 -0.087 -22.286 1.00 51.23 C ATOM 0 H ALA A 8 7.979 0.992 -20.540 1.00 1.45 H new ATOM 0 HA ALA A 8 7.022 -1.600 -20.809 1.00 62.14 H new ATOM 0 HB1 ALA A 8 6.069 -0.765 -22.960 1.00 51.23 H new ATOM 0 HB2 ALA A 8 5.870 0.418 -21.645 1.00 51.23 H new ATOM 0 HB3 ALA A 8 7.140 0.654 -22.869 1.00 51.23 H new ATOM 150 N GLY A 9 8.767 -2.981 -21.906 1.00 14.31 N ATOM 151 CA GLY A 9 9.740 -3.882 -22.555 1.00 15.03 C ATOM 152 C GLY A 9 10.517 -4.728 -21.538 1.00 65.30 C ATOM 153 O GLY A 9 11.019 -5.814 -21.865 1.00 2.15 O ATOM 0 H GLY A 9 8.271 -3.409 -21.124 1.00 14.31 H new ATOM 0 HA2 GLY A 9 9.216 -4.541 -23.248 1.00 15.03 H new ATOM 0 HA3 GLY A 9 10.441 -3.292 -23.145 1.00 15.03 H new ATOM 157 N ILE A 10 10.605 -4.221 -20.291 1.00 53.10 N ATOM 158 CA ILE A 10 11.252 -4.922 -19.148 1.00 14.41 C ATOM 159 C ILE A 10 10.220 -5.873 -18.455 1.00 64.12 C ATOM 160 O ILE A 10 9.842 -5.730 -17.285 1.00 23.42 O ATOM 161 CB ILE A 10 11.880 -3.869 -18.143 1.00 73.01 C ATOM 162 CG1 ILE A 10 12.766 -2.831 -18.914 1.00 44.23 C ATOM 163 CG2 ILE A 10 12.702 -4.555 -17.029 1.00 64.34 C ATOM 164 CD1 ILE A 10 13.947 -3.425 -19.683 1.00 14.51 C ATOM 0 H ILE A 10 10.228 -3.307 -20.041 1.00 53.10 H new ATOM 0 HA ILE A 10 12.072 -5.542 -19.511 1.00 14.41 H new ATOM 0 HB ILE A 10 11.053 -3.343 -17.666 1.00 73.01 H new ATOM 0 HG12 ILE A 10 12.133 -2.288 -19.616 1.00 44.23 H new ATOM 0 HG13 ILE A 10 13.148 -2.102 -18.199 1.00 44.23 H new ATOM 0 HG21 ILE A 10 13.115 -3.798 -16.362 1.00 64.34 H new ATOM 0 HG22 ILE A 10 12.057 -5.226 -16.461 1.00 64.34 H new ATOM 0 HG23 ILE A 10 13.515 -5.126 -17.476 1.00 64.34 H new ATOM 0 HD11 ILE A 10 14.496 -2.626 -20.181 1.00 14.51 H new ATOM 0 HD12 ILE A 10 14.610 -3.943 -18.989 1.00 14.51 H new ATOM 0 HD13 ILE A 10 13.578 -4.131 -20.428 1.00 14.51 H new ATOM 176 N LYS A 11 9.719 -6.798 -19.281 1.00 44.11 N ATOM 177 CA LYS A 11 8.764 -7.858 -18.881 1.00 50.33 C ATOM 178 C LYS A 11 9.447 -9.070 -18.184 1.00 32.23 C ATOM 179 O LYS A 11 8.785 -10.082 -17.909 1.00 41.02 O ATOM 180 CB LYS A 11 7.961 -8.316 -20.122 1.00 61.52 C ATOM 181 CG LYS A 11 8.804 -8.989 -21.231 1.00 42.43 C ATOM 182 CD LYS A 11 7.948 -9.438 -22.440 1.00 72.44 C ATOM 183 CE LYS A 11 6.798 -10.385 -22.041 1.00 42.32 C ATOM 184 NZ LYS A 11 6.051 -10.898 -23.215 1.00 13.33 N ATOM 0 H LYS A 11 9.967 -6.838 -20.270 1.00 44.11 H new ATOM 0 HA LYS A 11 8.092 -7.430 -18.138 1.00 50.33 H new ATOM 0 HB2 LYS A 11 7.188 -9.014 -19.799 1.00 61.52 H new ATOM 0 HB3 LYS A 11 7.452 -7.451 -20.547 1.00 61.52 H new ATOM 0 HG2 LYS A 11 9.571 -8.293 -21.572 1.00 42.43 H new ATOM 0 HG3 LYS A 11 9.321 -9.854 -20.815 1.00 42.43 H new ATOM 0 HD2 LYS A 11 7.534 -8.558 -22.932 1.00 72.44 H new ATOM 0 HD3 LYS A 11 8.588 -9.938 -23.167 1.00 72.44 H new ATOM 0 HE2 LYS A 11 7.203 -11.225 -21.477 1.00 42.32 H new ATOM 0 HE3 LYS A 11 6.111 -9.858 -21.379 1.00 42.32 H new ATOM 0 HZ1 LYS A 11 5.290 -11.529 -22.893 1.00 13.33 H new ATOM 0 HZ2 LYS A 11 5.640 -10.100 -23.741 1.00 13.33 H new ATOM 0 HZ3 LYS A 11 6.698 -11.425 -23.835 1.00 13.33 H new ATOM 198 N ASP A 12 10.750 -8.952 -17.869 1.00 0.42 N ATOM 199 CA ASP A 12 11.513 -10.017 -17.188 1.00 72.41 C ATOM 200 C ASP A 12 11.321 -9.912 -15.663 1.00 23.13 C ATOM 201 O ASP A 12 11.435 -8.823 -15.085 1.00 31.41 O ATOM 202 CB ASP A 12 13.017 -9.941 -17.561 1.00 41.33 C ATOM 203 CG ASP A 12 13.658 -8.585 -17.243 1.00 31.01 C ATOM 204 OD1 ASP A 12 13.471 -7.642 -18.039 1.00 44.05 O ATOM 205 OD2 ASP A 12 14.345 -8.458 -16.196 1.00 41.14 O ATOM 0 H ASP A 12 11.302 -8.120 -18.078 1.00 0.42 H new ATOM 0 HA ASP A 12 11.135 -10.984 -17.520 1.00 72.41 H new ATOM 0 HB2 ASP A 12 13.556 -10.723 -17.026 1.00 41.33 H new ATOM 0 HB3 ASP A 12 13.130 -10.147 -18.625 1.00 41.33 H new ATOM 210 N LYS A 13 11.039 -11.050 -15.013 1.00 3.42 N ATOM 211 CA LYS A 13 10.756 -11.086 -13.566 1.00 21.42 C ATOM 212 C LYS A 13 12.003 -10.803 -12.695 1.00 55.22 C ATOM 213 O LYS A 13 11.862 -10.594 -11.501 1.00 31.54 O ATOM 214 CB LYS A 13 10.112 -12.426 -13.155 1.00 45.12 C ATOM 215 CG LYS A 13 8.729 -12.692 -13.796 1.00 12.32 C ATOM 216 CD LYS A 13 7.999 -13.888 -13.145 1.00 32.12 C ATOM 217 CE LYS A 13 7.682 -13.645 -11.655 1.00 14.51 C ATOM 218 NZ LYS A 13 7.069 -14.828 -11.004 1.00 73.23 N ATOM 0 H LYS A 13 11.000 -11.963 -15.466 1.00 3.42 H new ATOM 0 HA LYS A 13 10.048 -10.279 -13.381 1.00 21.42 H new ATOM 0 HB2 LYS A 13 10.787 -13.238 -13.426 1.00 45.12 H new ATOM 0 HB3 LYS A 13 10.007 -12.447 -12.070 1.00 45.12 H new ATOM 0 HG2 LYS A 13 8.111 -11.799 -13.704 1.00 12.32 H new ATOM 0 HG3 LYS A 13 8.856 -12.883 -14.861 1.00 12.32 H new ATOM 0 HD2 LYS A 13 7.071 -14.081 -13.684 1.00 32.12 H new ATOM 0 HD3 LYS A 13 8.615 -14.782 -13.241 1.00 32.12 H new ATOM 0 HE2 LYS A 13 8.600 -13.381 -11.130 1.00 14.51 H new ATOM 0 HE3 LYS A 13 7.007 -12.794 -11.565 1.00 14.51 H new ATOM 0 HZ1 LYS A 13 6.450 -14.516 -10.229 1.00 73.23 H new ATOM 0 HZ2 LYS A 13 6.509 -15.358 -11.703 1.00 73.23 H new ATOM 0 HZ3 LYS A 13 7.817 -15.441 -10.623 1.00 73.23 H new ATOM 232 N ALA A 14 13.211 -10.842 -13.292 1.00 72.31 N ATOM 233 CA ALA A 14 14.463 -10.458 -12.605 1.00 40.34 C ATOM 234 C ALA A 14 14.408 -8.987 -12.123 1.00 73.21 C ATOM 235 O ALA A 14 14.606 -8.697 -10.932 1.00 42.32 O ATOM 236 CB ALA A 14 15.656 -10.683 -13.550 1.00 61.20 C ATOM 0 H ALA A 14 13.347 -11.139 -14.258 1.00 72.31 H new ATOM 0 HA ALA A 14 14.586 -11.084 -11.721 1.00 40.34 H new ATOM 0 HB1 ALA A 14 16.579 -10.400 -13.044 1.00 61.20 H new ATOM 0 HB2 ALA A 14 15.704 -11.735 -13.831 1.00 61.20 H new ATOM 0 HB3 ALA A 14 15.531 -10.073 -14.445 1.00 61.20 H new ATOM 242 N ALA A 15 14.090 -8.077 -13.059 1.00 33.20 N ATOM 243 CA ALA A 15 13.931 -6.637 -12.769 1.00 60.15 C ATOM 244 C ALA A 15 12.590 -6.329 -12.052 1.00 40.52 C ATOM 245 O ALA A 15 12.555 -5.500 -11.131 1.00 22.04 O ATOM 246 CB ALA A 15 14.053 -5.829 -14.064 1.00 52.12 C ATOM 0 H ALA A 15 13.935 -8.316 -14.038 1.00 33.20 H new ATOM 0 HA ALA A 15 14.728 -6.344 -12.086 1.00 60.15 H new ATOM 0 HB1 ALA A 15 13.935 -4.768 -13.843 1.00 52.12 H new ATOM 0 HB2 ALA A 15 15.033 -6.000 -14.509 1.00 52.12 H new ATOM 0 HB3 ALA A 15 13.278 -6.143 -14.763 1.00 52.12 H new ATOM 252 N ILE A 16 11.487 -6.996 -12.487 1.00 32.41 N ATOM 253 CA ILE A 16 10.144 -6.840 -11.858 1.00 60.13 C ATOM 254 C ILE A 16 10.174 -7.198 -10.348 1.00 73.24 C ATOM 255 O ILE A 16 9.585 -6.489 -9.535 1.00 74.44 O ATOM 256 CB ILE A 16 9.043 -7.696 -12.617 1.00 44.32 C ATOM 257 CG1 ILE A 16 8.861 -7.186 -14.086 1.00 51.41 C ATOM 258 CG2 ILE A 16 7.675 -7.711 -11.871 1.00 1.31 C ATOM 259 CD1 ILE A 16 8.322 -5.765 -14.211 1.00 62.24 C ATOM 0 H ILE A 16 11.501 -7.648 -13.271 1.00 32.41 H new ATOM 0 HA ILE A 16 9.872 -5.788 -11.946 1.00 60.13 H new ATOM 0 HB ILE A 16 9.404 -8.724 -12.639 1.00 44.32 H new ATOM 0 HG12 ILE A 16 9.823 -7.240 -14.596 1.00 51.41 H new ATOM 0 HG13 ILE A 16 8.185 -7.863 -14.609 1.00 51.41 H new ATOM 0 HG21 ILE A 16 6.960 -8.311 -12.434 1.00 1.31 H new ATOM 0 HG22 ILE A 16 7.807 -8.141 -10.878 1.00 1.31 H new ATOM 0 HG23 ILE A 16 7.300 -6.692 -11.778 1.00 1.31 H new ATOM 0 HD11 ILE A 16 8.231 -5.502 -15.265 1.00 62.24 H new ATOM 0 HD12 ILE A 16 7.343 -5.704 -13.735 1.00 62.24 H new ATOM 0 HD13 ILE A 16 9.007 -5.072 -13.722 1.00 62.24 H new ATOM 271 N LYS A 17 10.914 -8.266 -9.994 1.00 22.23 N ATOM 272 CA LYS A 17 11.094 -8.716 -8.590 1.00 33.51 C ATOM 273 C LYS A 17 11.673 -7.598 -7.693 1.00 5.41 C ATOM 274 O LYS A 17 11.160 -7.348 -6.607 1.00 73.34 O ATOM 275 CB LYS A 17 12.046 -9.933 -8.537 1.00 40.32 C ATOM 276 CG LYS A 17 12.351 -10.476 -7.115 1.00 51.22 C ATOM 277 CD LYS A 17 13.650 -11.324 -7.036 1.00 44.41 C ATOM 278 CE LYS A 17 14.954 -10.485 -7.122 1.00 34.31 C ATOM 279 NZ LYS A 17 15.175 -9.864 -8.455 1.00 11.25 N ATOM 0 H LYS A 17 11.408 -8.847 -10.672 1.00 22.23 H new ATOM 0 HA LYS A 17 10.107 -8.987 -8.215 1.00 33.51 H new ATOM 0 HB2 LYS A 17 11.613 -10.738 -9.130 1.00 40.32 H new ATOM 0 HB3 LYS A 17 12.987 -9.658 -9.012 1.00 40.32 H new ATOM 0 HG2 LYS A 17 12.433 -9.636 -6.425 1.00 51.22 H new ATOM 0 HG3 LYS A 17 11.510 -11.083 -6.779 1.00 51.22 H new ATOM 0 HD2 LYS A 17 13.651 -11.884 -6.101 1.00 44.41 H new ATOM 0 HD3 LYS A 17 13.645 -12.055 -7.845 1.00 44.41 H new ATOM 0 HE2 LYS A 17 14.922 -9.701 -6.366 1.00 34.31 H new ATOM 0 HE3 LYS A 17 15.804 -11.124 -6.883 1.00 34.31 H new ATOM 0 HZ1 LYS A 17 16.195 -9.818 -8.652 1.00 11.25 H new ATOM 0 HZ2 LYS A 17 14.707 -10.436 -9.186 1.00 11.25 H new ATOM 0 HZ3 LYS A 17 14.778 -8.903 -8.460 1.00 11.25 H new ATOM 293 N THR A 18 12.755 -6.947 -8.160 1.00 65.02 N ATOM 294 CA THR A 18 13.469 -5.899 -7.387 1.00 40.30 C ATOM 295 C THR A 18 12.606 -4.615 -7.230 1.00 22.30 C ATOM 296 O THR A 18 12.684 -3.918 -6.210 1.00 73.44 O ATOM 297 CB THR A 18 14.835 -5.557 -8.075 1.00 73.13 C ATOM 298 OG1 THR A 18 15.587 -6.768 -8.295 1.00 62.12 O ATOM 299 CG2 THR A 18 15.694 -4.578 -7.247 1.00 32.14 C ATOM 0 H THR A 18 13.161 -7.127 -9.078 1.00 65.02 H new ATOM 0 HA THR A 18 13.660 -6.292 -6.389 1.00 40.30 H new ATOM 0 HB THR A 18 14.598 -5.070 -9.021 1.00 73.13 H new ATOM 0 HG1 THR A 18 16.439 -6.550 -8.727 1.00 62.12 H new ATOM 0 HG21 THR A 18 16.627 -4.378 -7.773 1.00 32.14 H new ATOM 0 HG22 THR A 18 15.149 -3.644 -7.108 1.00 32.14 H new ATOM 0 HG23 THR A 18 15.913 -5.019 -6.275 1.00 32.14 H new ATOM 307 N LEU A 19 11.786 -4.329 -8.259 1.00 21.44 N ATOM 308 CA LEU A 19 10.767 -3.250 -8.228 1.00 35.12 C ATOM 309 C LEU A 19 9.706 -3.543 -7.125 1.00 20.42 C ATOM 310 O LEU A 19 9.321 -2.655 -6.353 1.00 0.35 O ATOM 311 CB LEU A 19 10.135 -3.121 -9.657 1.00 12.44 C ATOM 312 CG LEU A 19 9.097 -1.960 -9.912 1.00 73.04 C ATOM 313 CD1 LEU A 19 9.118 -1.505 -11.392 1.00 71.50 C ATOM 314 CD2 LEU A 19 7.650 -2.356 -9.495 1.00 15.03 C ATOM 0 H LEU A 19 11.808 -4.840 -9.142 1.00 21.44 H new ATOM 0 HA LEU A 19 11.223 -2.294 -7.970 1.00 35.12 H new ATOM 0 HB2 LEU A 19 10.949 -3.002 -10.372 1.00 12.44 H new ATOM 0 HB3 LEU A 19 9.642 -4.065 -9.889 1.00 12.44 H new ATOM 0 HG LEU A 19 9.406 -1.126 -9.282 1.00 73.04 H new ATOM 0 HD11 LEU A 19 8.393 -0.704 -11.537 1.00 71.50 H new ATOM 0 HD12 LEU A 19 10.114 -1.143 -11.647 1.00 71.50 H new ATOM 0 HD13 LEU A 19 8.862 -2.347 -12.035 1.00 71.50 H new ATOM 0 HD21 LEU A 19 6.974 -1.523 -9.690 1.00 15.03 H new ATOM 0 HD22 LEU A 19 7.331 -3.225 -10.070 1.00 15.03 H new ATOM 0 HD23 LEU A 19 7.631 -2.597 -8.432 1.00 15.03 H new ATOM 326 N ILE A 20 9.269 -4.814 -7.067 1.00 53.53 N ATOM 327 CA ILE A 20 8.311 -5.325 -6.056 1.00 54.53 C ATOM 328 C ILE A 20 8.945 -5.361 -4.629 1.00 43.40 C ATOM 329 O ILE A 20 8.260 -5.127 -3.625 1.00 21.33 O ATOM 330 CB ILE A 20 7.800 -6.760 -6.493 1.00 71.11 C ATOM 331 CG1 ILE A 20 6.952 -6.669 -7.808 1.00 63.34 C ATOM 332 CG2 ILE A 20 7.006 -7.476 -5.380 1.00 71.21 C ATOM 333 CD1 ILE A 20 6.449 -8.002 -8.353 1.00 44.01 C ATOM 0 H ILE A 20 9.573 -5.529 -7.728 1.00 53.53 H new ATOM 0 HA ILE A 20 7.461 -4.644 -6.005 1.00 54.53 H new ATOM 0 HB ILE A 20 8.687 -7.364 -6.684 1.00 71.11 H new ATOM 0 HG12 ILE A 20 6.093 -6.024 -7.623 1.00 63.34 H new ATOM 0 HG13 ILE A 20 7.555 -6.185 -8.577 1.00 63.34 H new ATOM 0 HG21 ILE A 20 6.681 -8.454 -5.736 1.00 71.21 H new ATOM 0 HG22 ILE A 20 7.641 -7.602 -4.503 1.00 71.21 H new ATOM 0 HG23 ILE A 20 6.134 -6.879 -5.114 1.00 71.21 H new ATOM 0 HD11 ILE A 20 5.874 -7.829 -9.263 1.00 44.01 H new ATOM 0 HD12 ILE A 20 7.298 -8.647 -8.577 1.00 44.01 H new ATOM 0 HD13 ILE A 20 5.814 -8.483 -7.609 1.00 44.01 H new ATOM 345 N SER A 21 10.263 -5.636 -4.556 1.00 4.01 N ATOM 346 CA SER A 21 11.023 -5.650 -3.279 1.00 2.23 C ATOM 347 C SER A 21 11.130 -4.230 -2.684 1.00 74.33 C ATOM 348 O SER A 21 10.972 -4.047 -1.477 1.00 11.44 O ATOM 349 CB SER A 21 12.429 -6.261 -3.484 1.00 53.02 C ATOM 350 OG SER A 21 12.343 -7.628 -3.862 1.00 73.42 O ATOM 0 H SER A 21 10.833 -5.854 -5.373 1.00 4.01 H new ATOM 0 HA SER A 21 10.478 -6.274 -2.571 1.00 2.23 H new ATOM 0 HB2 SER A 21 12.964 -5.701 -4.251 1.00 53.02 H new ATOM 0 HB3 SER A 21 13.006 -6.171 -2.564 1.00 53.02 H new ATOM 0 HG SER A 21 11.962 -7.695 -4.762 1.00 73.42 H new ATOM 356 N ALA A 22 11.383 -3.227 -3.553 1.00 71.44 N ATOM 357 CA ALA A 22 11.351 -1.791 -3.172 1.00 41.01 C ATOM 358 C ALA A 22 9.940 -1.361 -2.699 1.00 1.01 C ATOM 359 O ALA A 22 9.800 -0.571 -1.755 1.00 45.24 O ATOM 360 CB ALA A 22 11.810 -0.920 -4.352 1.00 61.42 C ATOM 0 H ALA A 22 11.614 -3.385 -4.534 1.00 71.44 H new ATOM 0 HA ALA A 22 12.037 -1.649 -2.337 1.00 41.01 H new ATOM 0 HB1 ALA A 22 11.783 0.130 -4.061 1.00 61.42 H new ATOM 0 HB2 ALA A 22 12.828 -1.193 -4.631 1.00 61.42 H new ATOM 0 HB3 ALA A 22 11.146 -1.079 -5.201 1.00 61.42 H new ATOM 366 N ALA A 23 8.910 -1.916 -3.364 1.00 21.10 N ATOM 367 CA ALA A 23 7.493 -1.733 -2.989 1.00 30.31 C ATOM 368 C ALA A 23 7.184 -2.281 -1.565 1.00 65.23 C ATOM 369 O ALA A 23 6.286 -1.791 -0.887 1.00 44.01 O ATOM 370 CB ALA A 23 6.592 -2.399 -4.038 1.00 21.10 C ATOM 0 H ALA A 23 9.037 -2.509 -4.184 1.00 21.10 H new ATOM 0 HA ALA A 23 7.289 -0.663 -2.962 1.00 30.31 H new ATOM 0 HB1 ALA A 23 5.547 -2.263 -3.759 1.00 21.10 H new ATOM 0 HB2 ALA A 23 6.770 -1.944 -5.012 1.00 21.10 H new ATOM 0 HB3 ALA A 23 6.818 -3.464 -4.088 1.00 21.10 H new ATOM 376 N TYR A 24 7.918 -3.323 -1.143 1.00 75.05 N ATOM 377 CA TYR A 24 7.833 -3.861 0.238 1.00 75.21 C ATOM 378 C TYR A 24 8.575 -2.967 1.268 1.00 70.32 C ATOM 379 O TYR A 24 8.111 -2.796 2.398 1.00 31.04 O ATOM 380 CB TYR A 24 8.396 -5.304 0.285 1.00 1.44 C ATOM 381 CG TYR A 24 7.611 -6.329 -0.553 1.00 21.11 C ATOM 382 CD1 TYR A 24 6.219 -6.273 -0.647 1.00 1.33 C ATOM 383 CD2 TYR A 24 8.260 -7.374 -1.214 1.00 24.32 C ATOM 384 CE1 TYR A 24 5.506 -7.204 -1.372 1.00 65.31 C ATOM 385 CE2 TYR A 24 7.549 -8.305 -1.944 1.00 45.14 C ATOM 386 CZ TYR A 24 6.171 -8.220 -2.012 1.00 75.43 C ATOM 387 OH TYR A 24 5.455 -9.149 -2.742 1.00 22.51 O ATOM 0 H TYR A 24 8.583 -3.817 -1.738 1.00 75.05 H new ATOM 0 HA TYR A 24 6.779 -3.869 0.516 1.00 75.21 H new ATOM 0 HB2 TYR A 24 9.429 -5.288 -0.061 1.00 1.44 H new ATOM 0 HB3 TYR A 24 8.412 -5.639 1.322 1.00 1.44 H new ATOM 0 HD1 TYR A 24 5.688 -5.481 -0.139 1.00 1.33 H new ATOM 0 HD2 TYR A 24 9.335 -7.455 -1.153 1.00 24.32 H new ATOM 0 HE1 TYR A 24 4.430 -7.134 -1.436 1.00 65.31 H new ATOM 0 HE2 TYR A 24 8.068 -9.098 -2.461 1.00 45.14 H new ATOM 0 HH TYR A 24 4.508 -9.098 -2.497 1.00 22.51 H new ATOM 397 N ARG A 25 9.729 -2.404 0.857 1.00 25.14 N ATOM 398 CA ARG A 25 10.586 -1.551 1.730 1.00 15.41 C ATOM 399 C ARG A 25 9.896 -0.222 2.127 1.00 63.13 C ATOM 400 O ARG A 25 10.222 0.367 3.161 1.00 42.53 O ATOM 401 CB ARG A 25 11.932 -1.252 1.019 1.00 40.04 C ATOM 402 CG ARG A 25 12.750 -2.513 0.670 1.00 24.14 C ATOM 403 CD ARG A 25 14.026 -2.208 -0.138 1.00 43.04 C ATOM 404 NE ARG A 25 14.686 -3.445 -0.593 1.00 5.12 N ATOM 405 CZ ARG A 25 15.935 -3.552 -0.995 1.00 30.04 C ATOM 406 NH1 ARG A 25 16.738 -2.526 -1.005 1.00 2.13 N ATOM 407 NH2 ARG A 25 16.374 -4.705 -1.372 1.00 72.40 N ATOM 0 H ARG A 25 10.100 -2.523 -0.086 1.00 25.14 H new ATOM 0 HA ARG A 25 10.764 -2.110 2.649 1.00 15.41 H new ATOM 0 HB2 ARG A 25 11.732 -0.696 0.103 1.00 40.04 H new ATOM 0 HB3 ARG A 25 12.534 -0.606 1.659 1.00 40.04 H new ATOM 0 HG2 ARG A 25 13.026 -3.025 1.592 1.00 24.14 H new ATOM 0 HG3 ARG A 25 12.123 -3.198 0.100 1.00 24.14 H new ATOM 0 HD2 ARG A 25 13.773 -1.591 -1.000 1.00 43.04 H new ATOM 0 HD3 ARG A 25 14.717 -1.630 0.476 1.00 43.04 H new ATOM 0 HE ARG A 25 14.124 -4.296 -0.597 1.00 5.12 H new ATOM 0 HH11 ARG A 25 16.403 -1.613 -0.697 1.00 2.13 H new ATOM 0 HH12 ARG A 25 17.702 -2.636 -1.321 1.00 2.13 H new ATOM 0 HH21 ARG A 25 15.756 -5.516 -1.356 1.00 72.40 H new ATOM 0 HH22 ARG A 25 17.339 -4.805 -1.686 1.00 72.40 H new ATOM 421 N GLN A 26 8.964 0.252 1.281 1.00 65.05 N ATOM 422 CA GLN A 26 8.191 1.486 1.552 1.00 53.30 C ATOM 423 C GLN A 26 6.936 1.204 2.427 1.00 15.55 C ATOM 424 O GLN A 26 6.557 2.037 3.253 1.00 22.24 O ATOM 425 CB GLN A 26 7.759 2.169 0.224 1.00 74.44 C ATOM 426 CG GLN A 26 6.870 1.291 -0.666 1.00 75.13 C ATOM 427 CD GLN A 26 6.215 2.024 -1.820 1.00 32.14 C ATOM 428 OE1 GLN A 26 6.758 2.105 -2.903 1.00 72.24 O ATOM 429 NE2 GLN A 26 5.036 2.565 -1.592 1.00 71.22 N ATOM 0 H GLN A 26 8.724 -0.201 0.399 1.00 65.05 H new ATOM 0 HA GLN A 26 8.848 2.157 2.106 1.00 53.30 H new ATOM 0 HB2 GLN A 26 7.225 3.090 0.458 1.00 74.44 H new ATOM 0 HB3 GLN A 26 8.651 2.450 -0.335 1.00 74.44 H new ATOM 0 HG2 GLN A 26 7.472 0.475 -1.066 1.00 75.13 H new ATOM 0 HG3 GLN A 26 6.092 0.841 -0.049 1.00 75.13 H new ATOM 0 HE21 GLN A 26 4.605 2.480 -0.671 1.00 71.22 H new ATOM 0 HE22 GLN A 26 4.554 3.069 -2.336 1.00 71.22 H new ATOM 438 N ILE A 27 6.287 0.037 2.207 1.00 53.44 N ATOM 439 CA ILE A 27 5.003 -0.322 2.867 1.00 23.55 C ATOM 440 C ILE A 27 5.259 -1.015 4.224 1.00 23.15 C ATOM 441 O ILE A 27 4.906 -0.490 5.282 1.00 53.54 O ATOM 442 CB ILE A 27 4.119 -1.243 1.922 1.00 12.21 C ATOM 443 CG1 ILE A 27 3.749 -0.494 0.605 1.00 25.03 C ATOM 444 CG2 ILE A 27 2.841 -1.765 2.627 1.00 32.31 C ATOM 445 CD1 ILE A 27 2.979 0.801 0.806 1.00 1.43 C ATOM 0 H ILE A 27 6.634 -0.681 1.571 1.00 53.44 H new ATOM 0 HA ILE A 27 4.451 0.599 3.055 1.00 23.55 H new ATOM 0 HB ILE A 27 4.727 -2.113 1.675 1.00 12.21 H new ATOM 0 HG12 ILE A 27 4.666 -0.275 0.058 1.00 25.03 H new ATOM 0 HG13 ILE A 27 3.156 -1.160 -0.021 1.00 25.03 H new ATOM 0 HG21 ILE A 27 2.274 -2.389 1.936 1.00 32.31 H new ATOM 0 HG22 ILE A 27 3.122 -2.353 3.501 1.00 32.31 H new ATOM 0 HG23 ILE A 27 2.228 -0.920 2.940 1.00 32.31 H new ATOM 0 HD11 ILE A 27 2.766 1.252 -0.163 1.00 1.43 H new ATOM 0 HD12 ILE A 27 2.042 0.591 1.323 1.00 1.43 H new ATOM 0 HD13 ILE A 27 3.576 1.490 1.403 1.00 1.43 H new ATOM 457 N PHE A 28 5.907 -2.190 4.168 1.00 42.14 N ATOM 458 CA PHE A 28 6.204 -3.026 5.356 1.00 32.13 C ATOM 459 C PHE A 28 7.450 -2.505 6.123 1.00 72.14 C ATOM 460 O PHE A 28 7.785 -3.041 7.183 1.00 20.42 O ATOM 461 CB PHE A 28 6.425 -4.499 4.911 1.00 33.23 C ATOM 462 CG PHE A 28 5.261 -5.091 4.105 1.00 20.10 C ATOM 463 CD1 PHE A 28 5.194 -4.932 2.721 1.00 0.24 C ATOM 464 CD2 PHE A 28 4.235 -5.797 4.727 1.00 42.01 C ATOM 465 CE1 PHE A 28 4.144 -5.460 1.991 1.00 32.44 C ATOM 466 CE2 PHE A 28 3.191 -6.325 3.994 1.00 31.40 C ATOM 467 CZ PHE A 28 3.144 -6.155 2.628 1.00 42.23 C ATOM 0 H PHE A 28 6.244 -2.594 3.294 1.00 42.14 H new ATOM 0 HA PHE A 28 5.353 -2.971 6.035 1.00 32.13 H new ATOM 0 HB2 PHE A 28 7.333 -4.554 4.311 1.00 33.23 H new ATOM 0 HB3 PHE A 28 6.590 -5.114 5.796 1.00 33.23 H new ATOM 0 HD1 PHE A 28 5.975 -4.388 2.211 1.00 0.24 H new ATOM 0 HD2 PHE A 28 4.256 -5.934 5.798 1.00 42.01 H new ATOM 0 HE1 PHE A 28 4.110 -5.326 0.920 1.00 32.44 H new ATOM 0 HE2 PHE A 28 2.407 -6.874 4.494 1.00 31.40 H new ATOM 0 HZ PHE A 28 2.324 -6.567 2.059 1.00 42.23 H new ATOM 477 N GLU A 29 8.123 -1.461 5.558 1.00 72.21 N ATOM 478 CA GLU A 29 9.362 -0.833 6.105 1.00 3.41 C ATOM 479 C GLU A 29 10.597 -1.764 6.022 1.00 74.05 C ATOM 480 O GLU A 29 11.667 -1.442 6.544 1.00 34.51 O ATOM 481 CB GLU A 29 9.147 -0.306 7.562 1.00 12.43 C ATOM 482 CG GLU A 29 8.013 0.735 7.721 1.00 23.34 C ATOM 483 CD GLU A 29 8.329 2.119 7.126 1.00 3.24 C ATOM 484 OE1 GLU A 29 8.200 2.314 5.895 1.00 14.51 O ATOM 485 OE2 GLU A 29 8.682 3.037 7.899 1.00 61.11 O ATOM 0 H GLU A 29 7.812 -1.024 4.691 1.00 72.21 H new ATOM 0 HA GLU A 29 9.575 0.024 5.465 1.00 3.41 H new ATOM 0 HB2 GLU A 29 8.934 -1.155 8.211 1.00 12.43 H new ATOM 0 HB3 GLU A 29 10.079 0.138 7.913 1.00 12.43 H new ATOM 0 HG2 GLU A 29 7.112 0.347 7.247 1.00 23.34 H new ATOM 0 HG3 GLU A 29 7.790 0.852 8.782 1.00 23.34 H new ATOM 492 N ARG A 30 10.454 -2.887 5.303 1.00 62.33 N ATOM 493 CA ARG A 30 11.486 -3.942 5.241 1.00 72.13 C ATOM 494 C ARG A 30 11.448 -4.698 3.892 1.00 12.24 C ATOM 495 O ARG A 30 10.383 -4.899 3.295 1.00 61.25 O ATOM 496 CB ARG A 30 11.292 -4.938 6.421 1.00 53.42 C ATOM 497 CG ARG A 30 9.871 -5.542 6.508 1.00 21.21 C ATOM 498 CD ARG A 30 9.770 -6.731 7.480 1.00 61.32 C ATOM 499 NE ARG A 30 8.421 -7.318 7.482 1.00 14.33 N ATOM 500 CZ ARG A 30 8.113 -8.532 7.891 1.00 54.21 C ATOM 501 NH1 ARG A 30 9.005 -9.321 8.413 1.00 21.41 N ATOM 502 NH2 ARG A 30 6.896 -8.939 7.790 1.00 42.35 N ATOM 0 H ARG A 30 9.623 -3.093 4.748 1.00 62.33 H new ATOM 0 HA ARG A 30 12.462 -3.465 5.324 1.00 72.13 H new ATOM 0 HB2 ARG A 30 12.014 -5.748 6.321 1.00 53.42 H new ATOM 0 HB3 ARG A 30 11.515 -4.425 7.356 1.00 53.42 H new ATOM 0 HG2 ARG A 30 9.173 -4.766 6.822 1.00 21.21 H new ATOM 0 HG3 ARG A 30 9.561 -5.867 5.515 1.00 21.21 H new ATOM 0 HD2 ARG A 30 10.498 -7.493 7.201 1.00 61.32 H new ATOM 0 HD3 ARG A 30 10.025 -6.401 8.487 1.00 61.32 H new ATOM 0 HE ARG A 30 7.658 -6.735 7.137 1.00 14.33 H new ATOM 0 HH11 ARG A 30 9.969 -9.004 8.514 1.00 21.41 H new ATOM 0 HH12 ARG A 30 8.740 -10.256 8.722 1.00 21.41 H new ATOM 0 HH21 ARG A 30 6.183 -8.324 7.397 1.00 42.35 H new ATOM 0 HH22 ARG A 30 6.644 -9.877 8.103 1.00 42.35 H new ATOM 516 N ASP A 31 12.641 -5.086 3.426 1.00 24.34 N ATOM 517 CA ASP A 31 12.819 -5.964 2.255 1.00 44.40 C ATOM 518 C ASP A 31 12.310 -7.396 2.570 1.00 51.30 C ATOM 519 O ASP A 31 12.605 -7.940 3.642 1.00 52.42 O ATOM 520 CB ASP A 31 14.316 -5.970 1.859 1.00 42.24 C ATOM 521 CG ASP A 31 14.620 -6.812 0.609 1.00 53.10 C ATOM 522 OD1 ASP A 31 14.134 -6.452 -0.489 1.00 54.12 O ATOM 523 OD2 ASP A 31 15.357 -7.816 0.714 1.00 31.00 O ATOM 0 H ASP A 31 13.521 -4.798 3.853 1.00 24.34 H new ATOM 0 HA ASP A 31 12.233 -5.589 1.416 1.00 44.40 H new ATOM 0 HB2 ASP A 31 14.641 -4.944 1.683 1.00 42.24 H new ATOM 0 HB3 ASP A 31 14.903 -6.351 2.695 1.00 42.24 H new ATOM 528 N ILE A 32 11.535 -7.994 1.641 1.00 24.21 N ATOM 529 CA ILE A 32 10.958 -9.349 1.822 1.00 22.51 C ATOM 530 C ILE A 32 11.624 -10.349 0.843 1.00 61.13 C ATOM 531 O ILE A 32 11.877 -10.027 -0.325 1.00 75.31 O ATOM 532 CB ILE A 32 9.380 -9.353 1.632 1.00 2.40 C ATOM 533 CG1 ILE A 32 8.688 -8.407 2.680 1.00 70.52 C ATOM 534 CG2 ILE A 32 8.782 -10.792 1.699 1.00 3.55 C ATOM 535 CD1 ILE A 32 7.163 -8.338 2.586 1.00 71.42 C ATOM 0 H ILE A 32 11.291 -7.559 0.751 1.00 24.21 H new ATOM 0 HA ILE A 32 11.162 -9.660 2.846 1.00 22.51 H new ATOM 0 HB ILE A 32 9.176 -8.969 0.632 1.00 2.40 H new ATOM 0 HG12 ILE A 32 8.960 -8.740 3.682 1.00 70.52 H new ATOM 0 HG13 ILE A 32 9.090 -7.401 2.559 1.00 70.52 H new ATOM 0 HG21 ILE A 32 7.701 -10.744 1.564 1.00 3.55 H new ATOM 0 HG22 ILE A 32 9.219 -11.405 0.911 1.00 3.55 H new ATOM 0 HG23 ILE A 32 9.007 -11.235 2.669 1.00 3.55 H new ATOM 0 HD11 ILE A 32 6.782 -7.660 3.350 1.00 71.42 H new ATOM 0 HD12 ILE A 32 6.875 -7.972 1.600 1.00 71.42 H new ATOM 0 HD13 ILE A 32 6.744 -9.332 2.741 1.00 71.42 H new ATOM 547 N ALA A 33 11.880 -11.564 1.357 1.00 2.14 N ATOM 548 CA ALA A 33 12.522 -12.658 0.605 1.00 64.22 C ATOM 549 C ALA A 33 11.565 -13.210 -0.498 1.00 2.32 C ATOM 550 O ALA A 33 10.411 -13.536 -0.191 1.00 35.05 O ATOM 551 CB ALA A 33 12.955 -13.764 1.575 1.00 71.35 C ATOM 0 H ALA A 33 11.645 -11.818 2.317 1.00 2.14 H new ATOM 0 HA ALA A 33 13.408 -12.273 0.101 1.00 64.22 H new ATOM 0 HB1 ALA A 33 13.429 -14.572 1.018 1.00 71.35 H new ATOM 0 HB2 ALA A 33 13.663 -13.358 2.298 1.00 71.35 H new ATOM 0 HB3 ALA A 33 12.081 -14.150 2.100 1.00 71.35 H new ATOM 557 N PRO A 34 12.038 -13.328 -1.790 1.00 5.34 N ATOM 558 CA PRO A 34 11.173 -13.663 -2.969 1.00 11.22 C ATOM 559 C PRO A 34 10.342 -14.971 -2.830 1.00 23.40 C ATOM 560 O PRO A 34 9.186 -15.004 -3.260 1.00 42.12 O ATOM 561 CB PRO A 34 12.182 -13.756 -4.156 1.00 1.14 C ATOM 562 CG PRO A 34 13.533 -13.880 -3.513 1.00 45.51 C ATOM 563 CD PRO A 34 13.447 -13.117 -2.215 1.00 21.24 C ATOM 0 HA PRO A 34 10.401 -12.904 -3.098 1.00 11.22 H new ATOM 0 HB2 PRO A 34 11.967 -14.616 -4.790 1.00 1.14 H new ATOM 0 HB3 PRO A 34 12.127 -12.871 -4.790 1.00 1.14 H new ATOM 0 HG2 PRO A 34 13.786 -14.925 -3.335 1.00 45.51 H new ATOM 0 HG3 PRO A 34 14.311 -13.469 -4.157 1.00 45.51 H new ATOM 0 HD2 PRO A 34 14.152 -13.498 -1.476 1.00 21.24 H new ATOM 0 HD3 PRO A 34 13.672 -12.059 -2.354 1.00 21.24 H new ATOM 571 N TYR A 35 10.927 -16.034 -2.225 1.00 65.05 N ATOM 572 CA TYR A 35 10.224 -17.341 -2.042 1.00 63.40 C ATOM 573 C TYR A 35 8.996 -17.221 -1.097 1.00 64.41 C ATOM 574 O TYR A 35 8.048 -17.997 -1.202 1.00 45.05 O ATOM 575 CB TYR A 35 11.192 -18.455 -1.545 1.00 65.31 C ATOM 576 CG TYR A 35 11.716 -18.297 -0.099 1.00 51.12 C ATOM 577 CD1 TYR A 35 12.744 -17.403 0.208 1.00 44.45 C ATOM 578 CD2 TYR A 35 11.185 -19.055 0.958 1.00 22.21 C ATOM 579 CE1 TYR A 35 13.219 -17.271 1.501 1.00 63.32 C ATOM 580 CE2 TYR A 35 11.659 -18.921 2.252 1.00 34.15 C ATOM 581 CZ TYR A 35 12.674 -18.026 2.518 1.00 5.50 C ATOM 582 OH TYR A 35 13.149 -17.887 3.810 1.00 31.10 O ATOM 0 H TYR A 35 11.878 -16.019 -1.855 1.00 65.05 H new ATOM 0 HA TYR A 35 9.855 -17.630 -3.026 1.00 63.40 H new ATOM 0 HB2 TYR A 35 10.681 -19.415 -1.623 1.00 65.31 H new ATOM 0 HB3 TYR A 35 12.048 -18.493 -2.219 1.00 65.31 H new ATOM 0 HD1 TYR A 35 13.177 -16.803 -0.579 1.00 44.45 H new ATOM 0 HD2 TYR A 35 10.390 -19.758 0.757 1.00 22.21 H new ATOM 0 HE1 TYR A 35 14.018 -16.576 1.714 1.00 63.32 H new ATOM 0 HE2 TYR A 35 11.236 -19.514 3.049 1.00 34.15 H new ATOM 0 HH TYR A 35 12.657 -18.490 4.406 1.00 31.10 H new ATOM 592 N ILE A 36 9.046 -16.245 -0.170 1.00 0.21 N ATOM 593 CA ILE A 36 7.907 -15.896 0.714 1.00 21.41 C ATOM 594 C ILE A 36 6.894 -15.009 -0.051 1.00 44.52 C ATOM 595 O ILE A 36 5.686 -15.283 -0.068 1.00 2.21 O ATOM 596 CB ILE A 36 8.411 -15.123 1.996 1.00 52.31 C ATOM 597 CG1 ILE A 36 9.461 -15.974 2.782 1.00 11.14 C ATOM 598 CG2 ILE A 36 7.231 -14.701 2.916 1.00 52.44 C ATOM 599 CD1 ILE A 36 10.147 -15.251 3.937 1.00 45.31 C ATOM 0 H ILE A 36 9.876 -15.674 -0.010 1.00 0.21 H new ATOM 0 HA ILE A 36 7.423 -16.821 1.025 1.00 21.41 H new ATOM 0 HB ILE A 36 8.898 -14.209 1.657 1.00 52.31 H new ATOM 0 HG12 ILE A 36 8.966 -16.863 3.173 1.00 11.14 H new ATOM 0 HG13 ILE A 36 10.225 -16.316 2.083 1.00 11.14 H new ATOM 0 HG21 ILE A 36 7.619 -14.172 3.786 1.00 52.44 H new ATOM 0 HG22 ILE A 36 6.556 -14.046 2.365 1.00 52.44 H new ATOM 0 HG23 ILE A 36 6.689 -15.588 3.243 1.00 52.44 H new ATOM 0 HD11 ILE A 36 10.856 -15.925 4.418 1.00 45.31 H new ATOM 0 HD12 ILE A 36 10.677 -14.378 3.556 1.00 45.31 H new ATOM 0 HD13 ILE A 36 9.399 -14.933 4.663 1.00 45.31 H new ATOM 611 N ALA A 37 7.439 -13.962 -0.700 1.00 31.43 N ATOM 612 CA ALA A 37 6.664 -12.918 -1.411 1.00 20.55 C ATOM 613 C ALA A 37 5.760 -13.486 -2.533 1.00 20.12 C ATOM 614 O ALA A 37 4.649 -12.990 -2.759 1.00 61.44 O ATOM 615 CB ALA A 37 7.637 -11.879 -1.987 1.00 40.11 C ATOM 0 H ALA A 37 8.447 -13.812 -0.748 1.00 31.43 H new ATOM 0 HA ALA A 37 5.994 -12.456 -0.686 1.00 20.55 H new ATOM 0 HB1 ALA A 37 7.075 -11.106 -2.512 1.00 40.11 H new ATOM 0 HB2 ALA A 37 8.207 -11.425 -1.176 1.00 40.11 H new ATOM 0 HB3 ALA A 37 8.320 -12.367 -2.682 1.00 40.11 H new ATOM 621 N GLN A 38 6.243 -14.549 -3.207 1.00 42.32 N ATOM 622 CA GLN A 38 5.527 -15.176 -4.340 1.00 55.24 C ATOM 623 C GLN A 38 4.342 -16.047 -3.855 1.00 25.14 C ATOM 624 O GLN A 38 3.387 -16.258 -4.590 1.00 10.11 O ATOM 625 CB GLN A 38 6.493 -16.019 -5.211 1.00 2.41 C ATOM 626 CG GLN A 38 7.103 -17.252 -4.508 1.00 73.13 C ATOM 627 CD GLN A 38 7.964 -18.128 -5.426 1.00 4.22 C ATOM 628 OE1 GLN A 38 8.942 -18.729 -4.994 1.00 20.32 O ATOM 629 NE2 GLN A 38 7.588 -18.250 -6.690 1.00 63.05 N ATOM 0 H GLN A 38 7.133 -14.995 -2.985 1.00 42.32 H new ATOM 0 HA GLN A 38 5.123 -14.369 -4.951 1.00 55.24 H new ATOM 0 HB2 GLN A 38 5.957 -16.355 -6.099 1.00 2.41 H new ATOM 0 HB3 GLN A 38 7.305 -15.376 -5.552 1.00 2.41 H new ATOM 0 HG2 GLN A 38 7.711 -16.915 -3.668 1.00 73.13 H new ATOM 0 HG3 GLN A 38 6.297 -17.858 -4.095 1.00 73.13 H new ATOM 0 HE21 GLN A 38 6.772 -17.742 -7.031 1.00 63.05 H new ATOM 0 HE22 GLN A 38 8.115 -18.852 -7.323 1.00 63.05 H new ATOM 638 N ASN A 39 4.423 -16.564 -2.611 1.00 12.44 N ATOM 639 CA ASN A 39 3.327 -17.357 -2.006 1.00 61.11 C ATOM 640 C ASN A 39 2.171 -16.435 -1.559 1.00 74.43 C ATOM 641 O ASN A 39 1.000 -16.821 -1.611 1.00 51.24 O ATOM 642 CB ASN A 39 3.839 -18.184 -0.801 1.00 63.02 C ATOM 643 CG ASN A 39 4.995 -19.122 -1.144 1.00 71.41 C ATOM 644 OD1 ASN A 39 5.153 -19.566 -2.280 1.00 10.15 O ATOM 645 ND2 ASN A 39 5.799 -19.458 -0.155 1.00 24.54 N ATOM 0 H ASN A 39 5.235 -16.448 -2.005 1.00 12.44 H new ATOM 0 HA ASN A 39 2.956 -18.046 -2.765 1.00 61.11 H new ATOM 0 HB2 ASN A 39 4.158 -17.502 -0.013 1.00 63.02 H new ATOM 0 HB3 ASN A 39 3.014 -18.771 -0.398 1.00 63.02 H new ATOM 0 HD21 ASN A 39 6.574 -20.100 -0.323 1.00 24.54 H new ATOM 0 HD22 ASN A 39 5.647 -19.076 0.778 1.00 24.54 H new ATOM 652 N GLU A 40 2.526 -15.216 -1.118 1.00 34.30 N ATOM 653 CA GLU A 40 1.546 -14.201 -0.687 1.00 13.11 C ATOM 654 C GLU A 40 0.816 -13.580 -1.904 1.00 23.42 C ATOM 655 O GLU A 40 -0.418 -13.560 -1.966 1.00 14.15 O ATOM 656 CB GLU A 40 2.254 -13.085 0.138 1.00 55.03 C ATOM 657 CG GLU A 40 3.103 -13.586 1.329 1.00 44.04 C ATOM 658 CD GLU A 40 2.311 -14.452 2.330 1.00 11.22 C ATOM 659 OE1 GLU A 40 1.534 -13.890 3.136 1.00 40.44 O ATOM 660 OE2 GLU A 40 2.451 -15.697 2.307 1.00 44.14 O ATOM 0 H GLU A 40 3.495 -14.906 -1.050 1.00 34.30 H new ATOM 0 HA GLU A 40 0.804 -14.693 -0.058 1.00 13.11 H new ATOM 0 HB2 GLU A 40 2.897 -12.513 -0.531 1.00 55.03 H new ATOM 0 HB3 GLU A 40 1.496 -12.398 0.516 1.00 55.03 H new ATOM 0 HG2 GLU A 40 3.944 -14.164 0.947 1.00 44.04 H new ATOM 0 HG3 GLU A 40 3.519 -12.727 1.855 1.00 44.04 H new ATOM 667 N PHE A 41 1.604 -13.074 -2.867 1.00 61.13 N ATOM 668 CA PHE A 41 1.091 -12.359 -4.063 1.00 2.31 C ATOM 669 C PHE A 41 1.433 -13.114 -5.380 1.00 71.13 C ATOM 670 O PHE A 41 2.017 -12.535 -6.280 1.00 35.21 O ATOM 671 CB PHE A 41 1.701 -10.919 -4.088 1.00 60.22 C ATOM 672 CG PHE A 41 1.431 -10.092 -2.827 1.00 51.33 C ATOM 673 CD1 PHE A 41 0.183 -9.509 -2.614 1.00 51.32 C ATOM 674 CD2 PHE A 41 2.419 -9.909 -1.852 1.00 5.25 C ATOM 675 CE1 PHE A 41 -0.070 -8.772 -1.472 1.00 71.25 C ATOM 676 CE2 PHE A 41 2.162 -9.174 -0.710 1.00 33.13 C ATOM 677 CZ PHE A 41 0.920 -8.606 -0.522 1.00 73.34 C ATOM 0 H PHE A 41 2.621 -13.146 -2.844 1.00 61.13 H new ATOM 0 HA PHE A 41 0.004 -12.307 -3.998 1.00 2.31 H new ATOM 0 HB2 PHE A 41 2.779 -10.997 -4.232 1.00 60.22 H new ATOM 0 HB3 PHE A 41 1.302 -10.384 -4.950 1.00 60.22 H new ATOM 0 HD1 PHE A 41 -0.597 -9.635 -3.351 1.00 51.32 H new ATOM 0 HD2 PHE A 41 3.395 -10.348 -1.994 1.00 5.25 H new ATOM 0 HE1 PHE A 41 -1.042 -8.326 -1.322 1.00 71.25 H new ATOM 0 HE2 PHE A 41 2.934 -9.045 0.035 1.00 33.13 H new ATOM 0 HZ PHE A 41 0.720 -8.030 0.370 1.00 73.34 H new ATOM 687 N SER A 42 1.037 -14.400 -5.502 1.00 42.03 N ATOM 688 CA SER A 42 1.337 -15.223 -6.724 1.00 1.43 C ATOM 689 C SER A 42 0.676 -14.650 -8.005 1.00 33.54 C ATOM 690 O SER A 42 1.328 -14.502 -9.053 1.00 3.11 O ATOM 691 CB SER A 42 0.900 -16.695 -6.517 1.00 62.44 C ATOM 692 OG SER A 42 -0.505 -16.816 -6.356 1.00 53.00 O ATOM 0 H SER A 42 0.513 -14.899 -4.783 1.00 42.03 H new ATOM 0 HA SER A 42 2.417 -15.183 -6.867 1.00 1.43 H new ATOM 0 HB2 SER A 42 1.219 -17.291 -7.372 1.00 62.44 H new ATOM 0 HB3 SER A 42 1.402 -17.102 -5.639 1.00 62.44 H new ATOM 0 HG SER A 42 -0.740 -17.759 -6.230 1.00 53.00 H new ATOM 698 N GLY A 43 -0.624 -14.334 -7.901 1.00 61.42 N ATOM 699 CA GLY A 43 -1.389 -13.753 -9.009 1.00 33.03 C ATOM 700 C GLY A 43 -1.146 -12.252 -9.161 1.00 2.44 C ATOM 701 O GLY A 43 -1.023 -11.754 -10.274 1.00 1.23 O ATOM 0 H GLY A 43 -1.170 -14.474 -7.051 1.00 61.42 H new ATOM 0 HA2 GLY A 43 -1.120 -14.258 -9.937 1.00 33.03 H new ATOM 0 HA3 GLY A 43 -2.452 -13.932 -8.846 1.00 33.03 H new ATOM 705 N TRP A 44 -1.074 -11.542 -8.018 1.00 13.30 N ATOM 706 CA TRP A 44 -0.900 -10.066 -7.957 1.00 54.11 C ATOM 707 C TRP A 44 0.446 -9.609 -8.596 1.00 22.33 C ATOM 708 O TRP A 44 0.490 -8.622 -9.341 1.00 42.12 O ATOM 709 CB TRP A 44 -1.029 -9.623 -6.468 1.00 5.23 C ATOM 710 CG TRP A 44 -1.284 -8.146 -6.225 1.00 21.54 C ATOM 711 CD1 TRP A 44 -0.542 -7.293 -5.451 1.00 14.03 C ATOM 712 CD2 TRP A 44 -2.388 -7.363 -6.728 1.00 62.21 C ATOM 713 NE1 TRP A 44 -1.097 -6.040 -5.456 1.00 31.21 N ATOM 714 CE2 TRP A 44 -2.234 -6.058 -6.222 1.00 31.33 C ATOM 715 CE3 TRP A 44 -3.491 -7.637 -7.554 1.00 60.45 C ATOM 716 CZ2 TRP A 44 -3.126 -5.033 -6.522 1.00 25.30 C ATOM 717 CZ3 TRP A 44 -4.378 -6.616 -7.847 1.00 31.42 C ATOM 718 CH2 TRP A 44 -4.193 -5.328 -7.326 1.00 73.01 C ATOM 0 H TRP A 44 -1.135 -11.977 -7.097 1.00 13.30 H new ATOM 0 HA TRP A 44 -1.677 -9.580 -8.547 1.00 54.11 H new ATOM 0 HB2 TRP A 44 -1.840 -10.190 -6.012 1.00 5.23 H new ATOM 0 HB3 TRP A 44 -0.113 -9.902 -5.947 1.00 5.23 H new ATOM 0 HD1 TRP A 44 0.353 -7.569 -4.913 1.00 14.03 H new ATOM 0 HE1 TRP A 44 -0.724 -5.225 -4.968 1.00 31.21 H new ATOM 0 HE3 TRP A 44 -3.644 -8.628 -7.954 1.00 60.45 H new ATOM 0 HZ2 TRP A 44 -2.981 -4.036 -6.133 1.00 25.30 H new ATOM 0 HZ3 TRP A 44 -5.225 -6.815 -8.487 1.00 31.42 H new ATOM 0 HH2 TRP A 44 -4.907 -4.553 -7.564 1.00 73.01 H new ATOM 729 N GLU A 45 1.519 -10.364 -8.308 1.00 23.15 N ATOM 730 CA GLU A 45 2.848 -10.216 -8.962 1.00 61.11 C ATOM 731 C GLU A 45 2.753 -10.418 -10.495 1.00 72.10 C ATOM 732 O GLU A 45 3.309 -9.634 -11.277 1.00 75.03 O ATOM 733 CB GLU A 45 3.819 -11.269 -8.353 1.00 2.13 C ATOM 734 CG GLU A 45 5.163 -11.475 -9.089 1.00 14.25 C ATOM 735 CD GLU A 45 5.954 -12.692 -8.568 1.00 34.20 C ATOM 736 OE1 GLU A 45 5.490 -13.845 -8.775 1.00 30.02 O ATOM 737 OE2 GLU A 45 7.036 -12.516 -7.970 1.00 4.13 O ATOM 0 H GLU A 45 1.497 -11.105 -7.608 1.00 23.15 H new ATOM 0 HA GLU A 45 3.216 -9.205 -8.785 1.00 61.11 H new ATOM 0 HB2 GLU A 45 4.034 -10.980 -7.324 1.00 2.13 H new ATOM 0 HB3 GLU A 45 3.301 -12.227 -8.313 1.00 2.13 H new ATOM 0 HG2 GLU A 45 4.972 -11.602 -10.155 1.00 14.25 H new ATOM 0 HG3 GLU A 45 5.773 -10.578 -8.979 1.00 14.25 H new ATOM 744 N SER A 46 2.041 -11.491 -10.896 1.00 43.30 N ATOM 745 CA SER A 46 1.860 -11.870 -12.322 1.00 4.10 C ATOM 746 C SER A 46 1.139 -10.759 -13.119 1.00 61.43 C ATOM 747 O SER A 46 1.534 -10.429 -14.237 1.00 1.11 O ATOM 748 CB SER A 46 1.069 -13.194 -12.436 1.00 62.14 C ATOM 749 OG SER A 46 0.961 -13.625 -13.787 1.00 22.44 O ATOM 0 H SER A 46 1.574 -12.122 -10.245 1.00 43.30 H new ATOM 0 HA SER A 46 2.853 -12.006 -12.751 1.00 4.10 H new ATOM 0 HB2 SER A 46 1.563 -13.966 -11.846 1.00 62.14 H new ATOM 0 HB3 SER A 46 0.072 -13.060 -12.015 1.00 62.14 H new ATOM 0 HG SER A 46 0.457 -14.465 -13.823 1.00 22.44 H new ATOM 755 N LYS A 47 0.103 -10.167 -12.500 1.00 50.43 N ATOM 756 CA LYS A 47 -0.698 -9.079 -13.106 1.00 31.14 C ATOM 757 C LYS A 47 0.144 -7.795 -13.323 1.00 54.24 C ATOM 758 O LYS A 47 -0.089 -7.053 -14.277 1.00 21.10 O ATOM 759 CB LYS A 47 -1.946 -8.791 -12.226 1.00 0.33 C ATOM 760 CG LYS A 47 -2.910 -9.997 -12.107 1.00 22.42 C ATOM 761 CD LYS A 47 -4.120 -9.735 -11.179 1.00 44.41 C ATOM 762 CE LYS A 47 -5.102 -8.692 -11.741 1.00 12.23 C ATOM 763 NZ LYS A 47 -6.279 -8.497 -10.853 1.00 73.13 N ATOM 0 H LYS A 47 -0.206 -10.427 -11.563 1.00 50.43 H new ATOM 0 HA LYS A 47 -1.029 -9.407 -14.091 1.00 31.14 H new ATOM 0 HB2 LYS A 47 -1.618 -8.499 -11.229 1.00 0.33 H new ATOM 0 HB3 LYS A 47 -2.488 -7.943 -12.644 1.00 0.33 H new ATOM 0 HG2 LYS A 47 -3.275 -10.259 -13.100 1.00 22.42 H new ATOM 0 HG3 LYS A 47 -2.356 -10.858 -11.733 1.00 22.42 H new ATOM 0 HD2 LYS A 47 -4.651 -10.672 -11.013 1.00 44.41 H new ATOM 0 HD3 LYS A 47 -3.758 -9.397 -10.208 1.00 44.41 H new ATOM 0 HE2 LYS A 47 -4.585 -7.741 -11.871 1.00 12.23 H new ATOM 0 HE3 LYS A 47 -5.441 -9.008 -12.727 1.00 12.23 H new ATOM 0 HZ1 LYS A 47 -6.914 -7.787 -11.269 1.00 73.13 H new ATOM 0 HZ2 LYS A 47 -6.788 -9.398 -10.749 1.00 73.13 H new ATOM 0 HZ3 LYS A 47 -5.959 -8.170 -9.919 1.00 73.13 H new ATOM 777 N LEU A 48 1.122 -7.541 -12.433 1.00 52.34 N ATOM 778 CA LEU A 48 2.065 -6.406 -12.591 1.00 53.42 C ATOM 779 C LEU A 48 3.083 -6.681 -13.730 1.00 54.41 C ATOM 780 O LEU A 48 3.340 -5.809 -14.575 1.00 11.23 O ATOM 781 CB LEU A 48 2.817 -6.118 -11.263 1.00 73.43 C ATOM 782 CG LEU A 48 3.746 -4.856 -11.282 1.00 72.54 C ATOM 783 CD1 LEU A 48 2.935 -3.565 -11.542 1.00 14.11 C ATOM 784 CD2 LEU A 48 4.586 -4.753 -9.991 1.00 42.43 C ATOM 0 H LEU A 48 1.284 -8.103 -11.597 1.00 52.34 H new ATOM 0 HA LEU A 48 1.478 -5.526 -12.856 1.00 53.42 H new ATOM 0 HB2 LEU A 48 2.082 -5.996 -10.467 1.00 73.43 H new ATOM 0 HB3 LEU A 48 3.420 -6.990 -11.009 1.00 73.43 H new ATOM 0 HG LEU A 48 4.444 -4.973 -12.111 1.00 72.54 H new ATOM 0 HD11 LEU A 48 3.608 -2.708 -11.549 1.00 14.11 H new ATOM 0 HD12 LEU A 48 2.432 -3.639 -12.506 1.00 14.11 H new ATOM 0 HD13 LEU A 48 2.193 -3.437 -10.754 1.00 14.11 H new ATOM 0 HD21 LEU A 48 5.219 -3.867 -10.038 1.00 42.43 H new ATOM 0 HD22 LEU A 48 3.922 -4.679 -9.130 1.00 42.43 H new ATOM 0 HD23 LEU A 48 5.211 -5.640 -9.892 1.00 42.43 H new ATOM 796 N GLY A 49 3.634 -7.913 -13.738 1.00 74.53 N ATOM 797 CA GLY A 49 4.629 -8.339 -14.739 1.00 60.41 C ATOM 798 C GLY A 49 4.077 -8.413 -16.179 1.00 11.32 C ATOM 799 O GLY A 49 4.823 -8.222 -17.146 1.00 11.04 O ATOM 0 H GLY A 49 3.402 -8.634 -13.055 1.00 74.53 H new ATOM 0 HA2 GLY A 49 5.470 -7.646 -14.718 1.00 60.41 H new ATOM 0 HA3 GLY A 49 5.016 -9.319 -14.458 1.00 60.41 H new ATOM 803 N ASN A 50 2.764 -8.712 -16.303 1.00 42.04 N ATOM 804 CA ASN A 50 2.048 -8.778 -17.609 1.00 34.22 C ATOM 805 C ASN A 50 1.411 -7.416 -17.988 1.00 11.32 C ATOM 806 O ASN A 50 1.135 -7.169 -19.164 1.00 54.31 O ATOM 807 CB ASN A 50 0.953 -9.883 -17.555 1.00 33.22 C ATOM 808 CG ASN A 50 1.524 -11.288 -17.300 1.00 31.00 C ATOM 809 OD1 ASN A 50 2.638 -11.605 -17.701 1.00 42.40 O ATOM 810 ND2 ASN A 50 0.767 -12.138 -16.628 1.00 71.35 N ATOM 0 H ASN A 50 2.165 -8.915 -15.503 1.00 42.04 H new ATOM 0 HA ASN A 50 2.780 -9.024 -18.378 1.00 34.22 H new ATOM 0 HB2 ASN A 50 0.239 -9.640 -16.769 1.00 33.22 H new ATOM 0 HB3 ASN A 50 0.402 -9.887 -18.496 1.00 33.22 H new ATOM 0 HD21 ASN A 50 1.107 -13.080 -16.433 1.00 71.35 H new ATOM 0 HD22 ASN A 50 -0.157 -11.852 -16.304 1.00 71.35 H new ATOM 817 N GLY A 51 1.208 -6.530 -16.995 1.00 41.34 N ATOM 818 CA GLY A 51 0.619 -5.199 -17.238 1.00 12.25 C ATOM 819 C GLY A 51 -0.918 -5.172 -17.189 1.00 74.04 C ATOM 820 O GLY A 51 -1.544 -4.319 -17.824 1.00 62.24 O ATOM 0 H GLY A 51 1.442 -6.711 -16.019 1.00 41.34 H new ATOM 0 HA2 GLY A 51 1.007 -4.501 -16.496 1.00 12.25 H new ATOM 0 HA3 GLY A 51 0.947 -4.842 -18.214 1.00 12.25 H new ATOM 824 N GLU A 52 -1.525 -6.128 -16.457 1.00 31.23 N ATOM 825 CA GLU A 52 -2.976 -6.117 -16.144 1.00 62.32 C ATOM 826 C GLU A 52 -3.300 -4.972 -15.157 1.00 12.12 C ATOM 827 O GLU A 52 -4.279 -4.240 -15.321 1.00 11.31 O ATOM 828 CB GLU A 52 -3.425 -7.476 -15.540 1.00 12.42 C ATOM 829 CG GLU A 52 -3.257 -8.691 -16.473 1.00 33.42 C ATOM 830 CD GLU A 52 -4.083 -8.571 -17.766 1.00 41.14 C ATOM 831 OE1 GLU A 52 -5.332 -8.637 -17.691 1.00 30.25 O ATOM 832 OE2 GLU A 52 -3.501 -8.401 -18.859 1.00 53.03 O ATOM 0 H GLU A 52 -1.029 -6.929 -16.065 1.00 31.23 H new ATOM 0 HA GLU A 52 -3.521 -5.956 -17.074 1.00 62.32 H new ATOM 0 HB2 GLU A 52 -2.857 -7.656 -14.628 1.00 12.42 H new ATOM 0 HB3 GLU A 52 -4.474 -7.400 -15.253 1.00 12.42 H new ATOM 0 HG2 GLU A 52 -2.204 -8.803 -16.730 1.00 33.42 H new ATOM 0 HG3 GLU A 52 -3.553 -9.595 -15.941 1.00 33.42 H new ATOM 839 N ILE A 53 -2.442 -4.836 -14.129 1.00 44.53 N ATOM 840 CA ILE A 53 -2.510 -3.743 -13.132 1.00 24.51 C ATOM 841 C ILE A 53 -1.312 -2.782 -13.315 1.00 50.05 C ATOM 842 O ILE A 53 -0.279 -3.155 -13.892 1.00 33.14 O ATOM 843 CB ILE A 53 -2.524 -4.294 -11.646 1.00 63.04 C ATOM 844 CG1 ILE A 53 -1.193 -5.037 -11.293 1.00 72.21 C ATOM 845 CG2 ILE A 53 -3.752 -5.211 -11.415 1.00 23.41 C ATOM 846 CD1 ILE A 53 -1.100 -5.565 -9.870 1.00 20.41 C ATOM 0 H ILE A 53 -1.674 -5.486 -13.963 1.00 44.53 H new ATOM 0 HA ILE A 53 -3.445 -3.208 -13.300 1.00 24.51 H new ATOM 0 HB ILE A 53 -2.604 -3.438 -10.976 1.00 63.04 H new ATOM 0 HG12 ILE A 53 -1.069 -5.873 -11.982 1.00 72.21 H new ATOM 0 HG13 ILE A 53 -0.360 -4.356 -11.465 1.00 72.21 H new ATOM 0 HG21 ILE A 53 -3.743 -5.579 -10.389 1.00 23.41 H new ATOM 0 HG22 ILE A 53 -4.667 -4.645 -11.590 1.00 23.41 H new ATOM 0 HG23 ILE A 53 -3.711 -6.055 -12.104 1.00 23.41 H new ATOM 0 HD11 ILE A 53 -0.140 -6.062 -9.728 1.00 20.41 H new ATOM 0 HD12 ILE A 53 -1.186 -4.736 -9.168 1.00 20.41 H new ATOM 0 HD13 ILE A 53 -1.907 -6.276 -9.692 1.00 20.41 H new ATOM 858 N THR A 54 -1.465 -1.540 -12.838 1.00 61.00 N ATOM 859 CA THR A 54 -0.355 -0.560 -12.795 1.00 13.35 C ATOM 860 C THR A 54 0.405 -0.667 -11.451 1.00 25.34 C ATOM 861 O THR A 54 -0.079 -1.314 -10.508 1.00 22.34 O ATOM 862 CB THR A 54 -0.862 0.907 -13.032 1.00 1.21 C ATOM 863 OG1 THR A 54 0.252 1.811 -13.103 1.00 11.43 O ATOM 864 CG2 THR A 54 -1.843 1.389 -11.945 1.00 73.03 C ATOM 0 H THR A 54 -2.348 -1.182 -12.473 1.00 61.00 H new ATOM 0 HA THR A 54 0.331 -0.800 -13.607 1.00 13.35 H new ATOM 0 HB THR A 54 -1.404 0.898 -13.978 1.00 1.21 H new ATOM 0 HG1 THR A 54 0.495 2.103 -12.199 1.00 11.43 H new ATOM 0 HG21 THR A 54 -2.157 2.409 -12.165 1.00 73.03 H new ATOM 0 HG22 THR A 54 -2.716 0.736 -11.927 1.00 73.03 H new ATOM 0 HG23 THR A 54 -1.351 1.363 -10.973 1.00 73.03 H new ATOM 872 N VAL A 55 1.592 -0.031 -11.370 1.00 60.34 N ATOM 873 CA VAL A 55 2.460 -0.087 -10.163 1.00 62.24 C ATOM 874 C VAL A 55 1.745 0.521 -8.933 1.00 44.32 C ATOM 875 O VAL A 55 1.766 -0.062 -7.859 1.00 35.12 O ATOM 876 CB VAL A 55 3.841 0.635 -10.400 1.00 15.21 C ATOM 877 CG1 VAL A 55 4.746 0.585 -9.138 1.00 22.33 C ATOM 878 CG2 VAL A 55 4.565 0.042 -11.635 1.00 21.41 C ATOM 0 H VAL A 55 1.978 0.532 -12.128 1.00 60.34 H new ATOM 0 HA VAL A 55 2.661 -1.140 -9.966 1.00 62.24 H new ATOM 0 HB VAL A 55 3.632 1.686 -10.599 1.00 15.21 H new ATOM 0 HG11 VAL A 55 5.687 1.094 -9.345 1.00 22.33 H new ATOM 0 HG12 VAL A 55 4.241 1.080 -8.308 1.00 22.33 H new ATOM 0 HG13 VAL A 55 4.945 -0.454 -8.874 1.00 22.33 H new ATOM 0 HG21 VAL A 55 5.516 0.555 -11.780 1.00 21.41 H new ATOM 0 HG22 VAL A 55 4.747 -1.021 -11.475 1.00 21.41 H new ATOM 0 HG23 VAL A 55 3.943 0.174 -12.520 1.00 21.41 H new ATOM 888 N LYS A 56 1.090 1.676 -9.137 1.00 50.03 N ATOM 889 CA LYS A 56 0.278 2.370 -8.104 1.00 40.02 C ATOM 890 C LYS A 56 -0.824 1.465 -7.498 1.00 32.35 C ATOM 891 O LYS A 56 -1.049 1.460 -6.282 1.00 62.35 O ATOM 892 CB LYS A 56 -0.362 3.621 -8.747 1.00 11.33 C ATOM 893 CG LYS A 56 -1.302 4.432 -7.835 1.00 0.12 C ATOM 894 CD LYS A 56 -1.782 5.745 -8.497 1.00 0.22 C ATOM 895 CE LYS A 56 -2.691 6.570 -7.574 1.00 2.40 C ATOM 896 NZ LYS A 56 -3.980 5.881 -7.311 1.00 35.20 N ATOM 0 H LYS A 56 1.105 2.166 -10.032 1.00 50.03 H new ATOM 0 HA LYS A 56 0.939 2.646 -7.282 1.00 40.02 H new ATOM 0 HB2 LYS A 56 0.436 4.278 -9.092 1.00 11.33 H new ATOM 0 HB3 LYS A 56 -0.921 3.308 -9.629 1.00 11.33 H new ATOM 0 HG2 LYS A 56 -2.167 3.822 -7.576 1.00 0.12 H new ATOM 0 HG3 LYS A 56 -0.787 4.666 -6.903 1.00 0.12 H new ATOM 0 HD2 LYS A 56 -0.916 6.344 -8.779 1.00 0.22 H new ATOM 0 HD3 LYS A 56 -2.320 5.510 -9.416 1.00 0.22 H new ATOM 0 HE2 LYS A 56 -2.179 6.755 -6.630 1.00 2.40 H new ATOM 0 HE3 LYS A 56 -2.884 7.542 -8.028 1.00 2.40 H new ATOM 0 HZ1 LYS A 56 -4.462 6.340 -6.512 1.00 35.20 H new ATOM 0 HZ2 LYS A 56 -4.582 5.936 -8.157 1.00 35.20 H new ATOM 0 HZ3 LYS A 56 -3.799 4.883 -7.079 1.00 35.20 H new ATOM 910 N GLU A 57 -1.493 0.697 -8.371 1.00 24.04 N ATOM 911 CA GLU A 57 -2.561 -0.242 -7.972 1.00 32.24 C ATOM 912 C GLU A 57 -1.982 -1.440 -7.179 1.00 25.12 C ATOM 913 O GLU A 57 -2.601 -1.920 -6.221 1.00 21.33 O ATOM 914 CB GLU A 57 -3.324 -0.705 -9.236 1.00 74.41 C ATOM 915 CG GLU A 57 -4.531 -1.637 -8.981 1.00 30.10 C ATOM 916 CD GLU A 57 -5.500 -1.700 -10.179 1.00 63.15 C ATOM 917 OE1 GLU A 57 -5.080 -2.096 -11.279 1.00 23.22 O ATOM 918 OE2 GLU A 57 -6.675 -1.291 -10.040 1.00 34.03 O ATOM 0 H GLU A 57 -1.311 0.707 -9.375 1.00 24.04 H new ATOM 0 HA GLU A 57 -3.260 0.264 -7.306 1.00 32.24 H new ATOM 0 HB2 GLU A 57 -3.675 0.178 -9.771 1.00 74.41 H new ATOM 0 HB3 GLU A 57 -2.623 -1.219 -9.894 1.00 74.41 H new ATOM 0 HG2 GLU A 57 -4.169 -2.641 -8.759 1.00 30.10 H new ATOM 0 HG3 GLU A 57 -5.072 -1.291 -8.100 1.00 30.10 H new ATOM 925 N PHE A 58 -0.770 -1.884 -7.580 1.00 0.12 N ATOM 926 CA PHE A 58 0.002 -2.927 -6.865 1.00 34.02 C ATOM 927 C PHE A 58 0.358 -2.458 -5.423 1.00 72.21 C ATOM 928 O PHE A 58 0.156 -3.204 -4.457 1.00 52.14 O ATOM 929 CB PHE A 58 1.285 -3.282 -7.676 1.00 40.51 C ATOM 930 CG PHE A 58 2.094 -4.466 -7.125 1.00 72.41 C ATOM 931 CD1 PHE A 58 1.814 -5.775 -7.527 1.00 63.23 C ATOM 932 CD2 PHE A 58 3.132 -4.275 -6.207 1.00 11.00 C ATOM 933 CE1 PHE A 58 2.535 -6.844 -7.033 1.00 5.23 C ATOM 934 CE2 PHE A 58 3.850 -5.349 -5.712 1.00 1.23 C ATOM 935 CZ PHE A 58 3.549 -6.632 -6.125 1.00 72.15 C ATOM 0 H PHE A 58 -0.298 -1.528 -8.411 1.00 0.12 H new ATOM 0 HA PHE A 58 -0.610 -3.824 -6.776 1.00 34.02 H new ATOM 0 HB2 PHE A 58 0.997 -3.505 -8.703 1.00 40.51 H new ATOM 0 HB3 PHE A 58 1.930 -2.404 -7.709 1.00 40.51 H new ATOM 0 HD1 PHE A 58 1.020 -5.954 -8.237 1.00 63.23 H new ATOM 0 HD2 PHE A 58 3.376 -3.275 -5.880 1.00 11.00 H new ATOM 0 HE1 PHE A 58 2.304 -7.847 -7.359 1.00 5.23 H new ATOM 0 HE2 PHE A 58 4.647 -5.184 -5.002 1.00 1.23 H new ATOM 0 HZ PHE A 58 4.109 -7.470 -5.736 1.00 72.15 H new ATOM 945 N ILE A 59 0.865 -1.202 -5.313 1.00 15.43 N ATOM 946 CA ILE A 59 1.223 -0.548 -4.023 1.00 32.41 C ATOM 947 C ILE A 59 0.011 -0.505 -3.065 1.00 51.24 C ATOM 948 O ILE A 59 0.128 -0.834 -1.872 1.00 43.34 O ATOM 949 CB ILE A 59 1.754 0.928 -4.260 1.00 33.32 C ATOM 950 CG1 ILE A 59 3.030 0.946 -5.161 1.00 54.10 C ATOM 951 CG2 ILE A 59 2.029 1.671 -2.927 1.00 72.22 C ATOM 952 CD1 ILE A 59 4.230 0.231 -4.576 1.00 5.22 C ATOM 0 H ILE A 59 1.039 -0.608 -6.124 1.00 15.43 H new ATOM 0 HA ILE A 59 2.015 -1.144 -3.569 1.00 32.41 H new ATOM 0 HB ILE A 59 0.958 1.459 -4.782 1.00 33.32 H new ATOM 0 HG12 ILE A 59 2.786 0.491 -6.121 1.00 54.10 H new ATOM 0 HG13 ILE A 59 3.303 1.982 -5.359 1.00 54.10 H new ATOM 0 HG21 ILE A 59 2.391 2.677 -3.139 1.00 72.22 H new ATOM 0 HG22 ILE A 59 1.108 1.731 -2.347 1.00 72.22 H new ATOM 0 HG23 ILE A 59 2.782 1.128 -2.356 1.00 72.22 H new ATOM 0 HD11 ILE A 59 5.067 0.296 -5.271 1.00 5.22 H new ATOM 0 HD12 ILE A 59 4.506 0.698 -3.631 1.00 5.22 H new ATOM 0 HD13 ILE A 59 3.981 -0.816 -4.404 1.00 5.22 H new ATOM 964 N GLU A 60 -1.150 -0.110 -3.620 1.00 0.51 N ATOM 965 CA GLU A 60 -2.420 -0.054 -2.878 1.00 4.14 C ATOM 966 C GLU A 60 -2.802 -1.457 -2.327 1.00 14.32 C ATOM 967 O GLU A 60 -3.171 -1.586 -1.160 1.00 44.25 O ATOM 968 CB GLU A 60 -3.551 0.505 -3.780 1.00 72.55 C ATOM 969 CG GLU A 60 -4.856 0.822 -3.018 1.00 42.11 C ATOM 970 CD GLU A 60 -6.017 1.264 -3.925 1.00 4.13 C ATOM 971 OE1 GLU A 60 -5.962 2.384 -4.485 1.00 53.43 O ATOM 972 OE2 GLU A 60 -7.003 0.506 -4.066 1.00 53.12 O ATOM 0 H GLU A 60 -1.232 0.179 -4.595 1.00 0.51 H new ATOM 0 HA GLU A 60 -2.290 0.618 -2.030 1.00 4.14 H new ATOM 0 HB2 GLU A 60 -3.198 1.412 -4.270 1.00 72.55 H new ATOM 0 HB3 GLU A 60 -3.767 -0.218 -4.566 1.00 72.55 H new ATOM 0 HG2 GLU A 60 -5.162 -0.062 -2.458 1.00 42.11 H new ATOM 0 HG3 GLU A 60 -4.658 1.608 -2.289 1.00 42.11 H new ATOM 979 N GLY A 61 -2.655 -2.505 -3.175 1.00 22.32 N ATOM 980 CA GLY A 61 -2.932 -3.903 -2.782 1.00 44.43 C ATOM 981 C GLY A 61 -2.027 -4.450 -1.659 1.00 53.12 C ATOM 982 O GLY A 61 -2.429 -5.355 -0.920 1.00 72.31 O ATOM 0 H GLY A 61 -2.344 -2.403 -4.141 1.00 22.32 H new ATOM 0 HA2 GLY A 61 -3.971 -3.976 -2.460 1.00 44.43 H new ATOM 0 HA3 GLY A 61 -2.824 -4.541 -3.659 1.00 44.43 H new ATOM 986 N LEU A 62 -0.797 -3.902 -1.539 1.00 0.33 N ATOM 987 CA LEU A 62 0.127 -4.218 -0.411 1.00 41.44 C ATOM 988 C LEU A 62 -0.397 -3.614 0.922 1.00 1.42 C ATOM 989 O LEU A 62 -0.068 -4.088 2.008 1.00 11.24 O ATOM 990 CB LEU A 62 1.559 -3.689 -0.707 1.00 54.14 C ATOM 991 CG LEU A 62 2.189 -4.128 -2.066 1.00 74.52 C ATOM 992 CD1 LEU A 62 3.607 -3.548 -2.233 1.00 34.23 C ATOM 993 CD2 LEU A 62 2.180 -5.665 -2.232 1.00 21.34 C ATOM 0 H LEU A 62 -0.414 -3.235 -2.209 1.00 0.33 H new ATOM 0 HA LEU A 62 0.168 -5.302 -0.309 1.00 41.44 H new ATOM 0 HB2 LEU A 62 1.535 -2.600 -0.677 1.00 54.14 H new ATOM 0 HB3 LEU A 62 2.218 -4.016 0.097 1.00 54.14 H new ATOM 0 HG LEU A 62 1.568 -3.719 -2.863 1.00 74.52 H new ATOM 0 HD11 LEU A 62 4.022 -3.870 -3.188 1.00 34.23 H new ATOM 0 HD12 LEU A 62 3.560 -2.459 -2.206 1.00 34.23 H new ATOM 0 HD13 LEU A 62 4.243 -3.904 -1.423 1.00 34.23 H new ATOM 0 HD21 LEU A 62 2.627 -5.930 -3.190 1.00 21.34 H new ATOM 0 HD22 LEU A 62 2.754 -6.121 -1.425 1.00 21.34 H new ATOM 0 HD23 LEU A 62 1.153 -6.029 -2.198 1.00 21.34 H new ATOM 1005 N GLY A 63 -1.186 -2.535 0.797 1.00 53.53 N ATOM 1006 CA GLY A 63 -1.918 -1.948 1.930 1.00 23.43 C ATOM 1007 C GLY A 63 -3.110 -2.797 2.400 1.00 60.55 C ATOM 1008 O GLY A 63 -3.521 -2.710 3.558 1.00 31.34 O ATOM 0 H GLY A 63 -1.334 -2.048 -0.087 1.00 53.53 H new ATOM 0 HA2 GLY A 63 -1.230 -1.810 2.764 1.00 23.43 H new ATOM 0 HA3 GLY A 63 -2.277 -0.959 1.646 1.00 23.43 H new ATOM 1012 N TYR A 64 -3.665 -3.615 1.484 1.00 42.42 N ATOM 1013 CA TYR A 64 -4.776 -4.560 1.787 1.00 43.34 C ATOM 1014 C TYR A 64 -4.255 -5.890 2.401 1.00 21.41 C ATOM 1015 O TYR A 64 -5.061 -6.723 2.834 1.00 52.43 O ATOM 1016 CB TYR A 64 -5.588 -4.883 0.491 1.00 51.12 C ATOM 1017 CG TYR A 64 -6.460 -3.740 -0.075 1.00 4.52 C ATOM 1018 CD1 TYR A 64 -5.941 -2.467 -0.288 1.00 54.54 C ATOM 1019 CD2 TYR A 64 -7.801 -3.951 -0.419 1.00 14.54 C ATOM 1020 CE1 TYR A 64 -6.712 -1.453 -0.814 1.00 31.11 C ATOM 1021 CE2 TYR A 64 -8.573 -2.939 -0.954 1.00 21.44 C ATOM 1022 CZ TYR A 64 -8.022 -1.692 -1.149 1.00 34.44 C ATOM 1023 OH TYR A 64 -8.785 -0.683 -1.690 1.00 2.55 O ATOM 0 H TYR A 64 -3.361 -3.645 0.511 1.00 42.42 H new ATOM 0 HA TYR A 64 -5.419 -4.070 2.518 1.00 43.34 H new ATOM 0 HB2 TYR A 64 -4.887 -5.193 -0.283 1.00 51.12 H new ATOM 0 HB3 TYR A 64 -6.234 -5.736 0.696 1.00 51.12 H new ATOM 0 HD1 TYR A 64 -4.910 -2.269 -0.035 1.00 54.54 H new ATOM 0 HD2 TYR A 64 -8.240 -4.925 -0.263 1.00 14.54 H new ATOM 0 HE1 TYR A 64 -6.286 -0.472 -0.963 1.00 31.11 H new ATOM 0 HE2 TYR A 64 -9.604 -3.124 -1.218 1.00 21.44 H new ATOM 0 HH TYR A 64 -8.326 -0.309 -2.471 1.00 2.55 H new ATOM 1033 N SER A 65 -2.916 -6.087 2.436 1.00 60.23 N ATOM 1034 CA SER A 65 -2.307 -7.384 2.843 1.00 73.31 C ATOM 1035 C SER A 65 -2.393 -7.610 4.365 1.00 64.01 C ATOM 1036 O SER A 65 -2.058 -6.720 5.149 1.00 11.02 O ATOM 1037 CB SER A 65 -0.822 -7.473 2.411 1.00 10.01 C ATOM 1038 OG SER A 65 0.019 -6.648 3.201 1.00 32.40 O ATOM 0 H SER A 65 -2.235 -5.369 2.189 1.00 60.23 H new ATOM 0 HA SER A 65 -2.882 -8.159 2.336 1.00 73.31 H new ATOM 0 HB2 SER A 65 -0.486 -8.507 2.485 1.00 10.01 H new ATOM 0 HB3 SER A 65 -0.732 -7.183 1.364 1.00 10.01 H new ATOM 0 HG SER A 65 0.029 -5.741 2.831 1.00 32.40 H new ATOM 1044 N ASN A 66 -2.795 -8.833 4.766 1.00 63.41 N ATOM 1045 CA ASN A 66 -2.915 -9.234 6.188 1.00 2.00 C ATOM 1046 C ASN A 66 -1.580 -9.053 6.967 1.00 14.52 C ATOM 1047 O ASN A 66 -1.594 -8.821 8.179 1.00 61.12 O ATOM 1048 CB ASN A 66 -3.407 -10.701 6.276 1.00 2.11 C ATOM 1049 CG ASN A 66 -3.594 -11.190 7.717 1.00 44.23 C ATOM 1050 OD1 ASN A 66 -4.650 -11.018 8.316 1.00 41.25 O ATOM 1051 ND2 ASN A 66 -2.569 -11.802 8.282 1.00 34.54 N ATOM 0 H ASN A 66 -3.047 -9.575 4.113 1.00 63.41 H new ATOM 0 HA ASN A 66 -3.645 -8.576 6.660 1.00 2.00 H new ATOM 0 HB2 ASN A 66 -4.353 -10.793 5.742 1.00 2.11 H new ATOM 0 HB3 ASN A 66 -2.691 -11.348 5.769 1.00 2.11 H new ATOM 0 HD21 ASN A 66 -2.644 -12.145 9.240 1.00 34.54 H new ATOM 0 HD22 ASN A 66 -1.702 -11.932 7.761 1.00 34.54 H new ATOM 1058 N LEU A 67 -0.438 -9.163 6.257 1.00 12.13 N ATOM 1059 CA LEU A 67 0.901 -8.958 6.851 1.00 31.10 C ATOM 1060 C LEU A 67 1.097 -7.486 7.302 1.00 34.23 C ATOM 1061 O LEU A 67 1.507 -7.236 8.430 1.00 61.05 O ATOM 1062 CB LEU A 67 2.012 -9.389 5.859 1.00 14.41 C ATOM 1063 CG LEU A 67 3.468 -9.422 6.433 1.00 65.03 C ATOM 1064 CD1 LEU A 67 3.582 -10.373 7.650 1.00 24.12 C ATOM 1065 CD2 LEU A 67 4.496 -9.787 5.332 1.00 0.04 C ATOM 0 H LEU A 67 -0.417 -9.394 5.264 1.00 12.13 H new ATOM 0 HA LEU A 67 0.975 -9.587 7.738 1.00 31.10 H new ATOM 0 HB2 LEU A 67 1.769 -10.382 5.481 1.00 14.41 H new ATOM 0 HB3 LEU A 67 1.994 -8.710 5.006 1.00 14.41 H new ATOM 0 HG LEU A 67 3.702 -8.418 6.786 1.00 65.03 H new ATOM 0 HD11 LEU A 67 4.607 -10.369 8.020 1.00 24.12 H new ATOM 0 HD12 LEU A 67 2.910 -10.036 8.439 1.00 24.12 H new ATOM 0 HD13 LEU A 67 3.309 -11.384 7.348 1.00 24.12 H new ATOM 0 HD21 LEU A 67 5.498 -9.802 5.760 1.00 0.04 H new ATOM 0 HD22 LEU A 67 4.260 -10.771 4.926 1.00 0.04 H new ATOM 0 HD23 LEU A 67 4.454 -9.045 4.534 1.00 0.04 H new ATOM 1077 N TYR A 68 0.736 -6.520 6.433 1.00 4.12 N ATOM 1078 CA TYR A 68 0.814 -5.065 6.757 1.00 11.34 C ATOM 1079 C TYR A 68 -0.211 -4.683 7.854 1.00 43.21 C ATOM 1080 O TYR A 68 0.049 -3.817 8.702 1.00 34.40 O ATOM 1081 CB TYR A 68 0.566 -4.237 5.462 1.00 35.24 C ATOM 1082 CG TYR A 68 0.620 -2.705 5.625 1.00 15.52 C ATOM 1083 CD1 TYR A 68 1.803 -2.065 5.994 1.00 31.01 C ATOM 1084 CD2 TYR A 68 -0.502 -1.897 5.389 1.00 31.11 C ATOM 1085 CE1 TYR A 68 1.868 -0.688 6.125 1.00 24.10 C ATOM 1086 CE2 TYR A 68 -0.437 -0.518 5.520 1.00 31.25 C ATOM 1087 CZ TYR A 68 0.751 0.080 5.889 1.00 1.03 C ATOM 1088 OH TYR A 68 0.829 1.454 6.018 1.00 43.13 O ATOM 0 H TYR A 68 0.385 -6.714 5.495 1.00 4.12 H new ATOM 0 HA TYR A 68 1.808 -4.841 7.145 1.00 11.34 H new ATOM 0 HB2 TYR A 68 1.307 -4.531 4.718 1.00 35.24 H new ATOM 0 HB3 TYR A 68 -0.412 -4.507 5.062 1.00 35.24 H new ATOM 0 HD1 TYR A 68 2.687 -2.656 6.182 1.00 31.01 H new ATOM 0 HD2 TYR A 68 -1.435 -2.358 5.100 1.00 31.11 H new ATOM 0 HE1 TYR A 68 2.796 -0.217 6.413 1.00 24.10 H new ATOM 0 HE2 TYR A 68 -1.313 0.086 5.334 1.00 31.25 H new ATOM 0 HH TYR A 68 1.770 1.729 6.030 1.00 43.13 H new ATOM 1098 N LEU A 69 -1.376 -5.340 7.805 1.00 55.21 N ATOM 1099 CA LEU A 69 -2.443 -5.197 8.816 1.00 42.14 C ATOM 1100 C LEU A 69 -1.966 -5.622 10.235 1.00 34.11 C ATOM 1101 O LEU A 69 -2.167 -4.888 11.208 1.00 71.35 O ATOM 1102 CB LEU A 69 -3.705 -6.010 8.369 1.00 23.35 C ATOM 1103 CG LEU A 69 -4.759 -5.247 7.495 1.00 32.25 C ATOM 1104 CD1 LEU A 69 -5.441 -4.147 8.314 1.00 52.25 C ATOM 1105 CD2 LEU A 69 -4.151 -4.656 6.205 1.00 35.34 C ATOM 0 H LEU A 69 -1.612 -5.993 7.058 1.00 55.21 H new ATOM 0 HA LEU A 69 -2.708 -4.142 8.885 1.00 42.14 H new ATOM 0 HB2 LEU A 69 -3.367 -6.883 7.810 1.00 23.35 H new ATOM 0 HB3 LEU A 69 -4.207 -6.379 9.264 1.00 23.35 H new ATOM 0 HG LEU A 69 -5.503 -5.982 7.188 1.00 32.25 H new ATOM 0 HD11 LEU A 69 -6.169 -3.628 7.691 1.00 52.25 H new ATOM 0 HD12 LEU A 69 -5.948 -4.592 9.170 1.00 52.25 H new ATOM 0 HD13 LEU A 69 -4.692 -3.437 8.664 1.00 52.25 H new ATOM 0 HD21 LEU A 69 -4.927 -4.140 5.640 1.00 35.34 H new ATOM 0 HD22 LEU A 69 -3.361 -3.951 6.465 1.00 35.34 H new ATOM 0 HD23 LEU A 69 -3.735 -5.460 5.598 1.00 35.34 H new ATOM 1117 N LYS A 70 -1.324 -6.799 10.343 1.00 21.03 N ATOM 1118 CA LYS A 70 -0.864 -7.337 11.648 1.00 23.40 C ATOM 1119 C LYS A 70 0.409 -6.620 12.170 1.00 42.43 C ATOM 1120 O LYS A 70 0.606 -6.521 13.387 1.00 43.22 O ATOM 1121 CB LYS A 70 -0.658 -8.874 11.571 1.00 42.14 C ATOM 1122 CG LYS A 70 0.514 -9.364 10.687 1.00 22.12 C ATOM 1123 CD LYS A 70 0.560 -10.911 10.568 1.00 31.31 C ATOM 1124 CE LYS A 70 0.750 -11.618 11.929 1.00 3.21 C ATOM 1125 NZ LYS A 70 0.698 -13.097 11.807 1.00 42.55 N ATOM 0 H LYS A 70 -1.109 -7.399 9.547 1.00 21.03 H new ATOM 0 HA LYS A 70 -1.652 -7.134 12.373 1.00 23.40 H new ATOM 0 HB2 LYS A 70 -0.504 -9.250 12.583 1.00 42.14 H new ATOM 0 HB3 LYS A 70 -1.578 -9.325 11.200 1.00 42.14 H new ATOM 0 HG2 LYS A 70 0.422 -8.929 9.692 1.00 22.12 H new ATOM 0 HG3 LYS A 70 1.455 -9.007 11.105 1.00 22.12 H new ATOM 0 HD2 LYS A 70 -0.364 -11.262 10.109 1.00 31.31 H new ATOM 0 HD3 LYS A 70 1.375 -11.194 9.901 1.00 31.31 H new ATOM 0 HE2 LYS A 70 1.708 -11.324 12.358 1.00 3.21 H new ATOM 0 HE3 LYS A 70 -0.024 -11.285 12.620 1.00 3.21 H new ATOM 0 HZ1 LYS A 70 0.830 -13.528 12.744 1.00 42.55 H new ATOM 0 HZ2 LYS A 70 -0.226 -13.381 11.422 1.00 42.55 H new ATOM 0 HZ3 LYS A 70 1.453 -13.419 11.168 1.00 42.55 H new ATOM 1139 N GLU A 71 1.274 -6.137 11.252 1.00 53.24 N ATOM 1140 CA GLU A 71 2.495 -5.373 11.623 1.00 31.43 C ATOM 1141 C GLU A 71 2.182 -3.937 12.112 1.00 42.51 C ATOM 1142 O GLU A 71 2.743 -3.478 13.109 1.00 31.40 O ATOM 1143 CB GLU A 71 3.493 -5.288 10.431 1.00 53.14 C ATOM 1144 CG GLU A 71 4.135 -6.620 10.000 1.00 42.22 C ATOM 1145 CD GLU A 71 5.277 -6.423 8.983 1.00 51.15 C ATOM 1146 OE1 GLU A 71 6.390 -6.036 9.405 1.00 53.10 O ATOM 1147 OE2 GLU A 71 5.080 -6.662 7.773 1.00 42.21 O ATOM 0 H GLU A 71 1.153 -6.260 10.247 1.00 53.24 H new ATOM 0 HA GLU A 71 2.946 -5.925 12.448 1.00 31.43 H new ATOM 0 HB2 GLU A 71 2.971 -4.864 9.574 1.00 53.14 H new ATOM 0 HB3 GLU A 71 4.289 -4.592 10.696 1.00 53.14 H new ATOM 0 HG2 GLU A 71 4.521 -7.135 10.880 1.00 42.22 H new ATOM 0 HG3 GLU A 71 3.371 -7.263 9.564 1.00 42.22 H new ATOM 1154 N PHE A 72 1.328 -3.216 11.368 1.00 20.53 N ATOM 1155 CA PHE A 72 1.063 -1.771 11.623 1.00 34.14 C ATOM 1156 C PHE A 72 -0.347 -1.486 12.193 1.00 12.04 C ATOM 1157 O PHE A 72 -0.464 -0.884 13.259 1.00 43.01 O ATOM 1158 CB PHE A 72 1.336 -0.954 10.334 1.00 34.43 C ATOM 1159 CG PHE A 72 2.810 -1.003 9.923 1.00 15.05 C ATOM 1160 CD1 PHE A 72 3.721 -0.068 10.413 1.00 54.20 C ATOM 1161 CD2 PHE A 72 3.288 -2.013 9.091 1.00 54.30 C ATOM 1162 CE1 PHE A 72 5.059 -0.149 10.083 1.00 45.42 C ATOM 1163 CE2 PHE A 72 4.622 -2.087 8.755 1.00 4.31 C ATOM 1164 CZ PHE A 72 5.508 -1.159 9.254 1.00 2.41 C ATOM 0 H PHE A 72 0.804 -3.601 10.582 1.00 20.53 H new ATOM 0 HA PHE A 72 1.751 -1.453 12.406 1.00 34.14 H new ATOM 0 HB2 PHE A 72 0.721 -1.342 9.522 1.00 34.43 H new ATOM 0 HB3 PHE A 72 1.038 0.083 10.492 1.00 34.43 H new ATOM 0 HD1 PHE A 72 3.376 0.727 11.057 1.00 54.20 H new ATOM 0 HD2 PHE A 72 2.601 -2.750 8.703 1.00 54.30 H new ATOM 0 HE1 PHE A 72 5.756 0.578 10.473 1.00 45.42 H new ATOM 0 HE2 PHE A 72 4.972 -2.872 8.101 1.00 4.31 H new ATOM 0 HZ PHE A 72 6.555 -1.221 8.997 1.00 2.41 H new ATOM 1174 N TYR A 73 -1.407 -1.931 11.506 1.00 52.24 N ATOM 1175 CA TYR A 73 -2.807 -1.594 11.895 1.00 55.02 C ATOM 1176 C TYR A 73 -3.200 -2.145 13.300 1.00 44.31 C ATOM 1177 O TYR A 73 -3.997 -1.527 14.019 1.00 70.05 O ATOM 1178 CB TYR A 73 -3.792 -2.109 10.823 1.00 22.34 C ATOM 1179 CG TYR A 73 -5.281 -1.861 11.133 1.00 43.41 C ATOM 1180 CD1 TYR A 73 -5.821 -0.579 11.075 1.00 20.10 C ATOM 1181 CD2 TYR A 73 -6.146 -2.912 11.473 1.00 73.54 C ATOM 1182 CE1 TYR A 73 -7.153 -0.354 11.343 1.00 33.11 C ATOM 1183 CE2 TYR A 73 -7.483 -2.687 11.742 1.00 51.30 C ATOM 1184 CZ TYR A 73 -7.984 -1.407 11.673 1.00 51.02 C ATOM 1185 OH TYR A 73 -9.322 -1.171 11.928 1.00 33.44 O ATOM 0 H TYR A 73 -1.336 -2.524 10.679 1.00 52.24 H new ATOM 0 HA TYR A 73 -2.865 -0.507 11.959 1.00 55.02 H new ATOM 0 HB2 TYR A 73 -3.551 -1.635 9.872 1.00 22.34 H new ATOM 0 HB3 TYR A 73 -3.637 -3.180 10.693 1.00 22.34 H new ATOM 0 HD1 TYR A 73 -5.184 0.254 10.815 1.00 20.10 H new ATOM 0 HD2 TYR A 73 -5.759 -3.919 11.526 1.00 73.54 H new ATOM 0 HE1 TYR A 73 -7.549 0.649 11.295 1.00 33.11 H new ATOM 0 HE2 TYR A 73 -8.130 -3.511 12.005 1.00 51.30 H new ATOM 0 HH TYR A 73 -9.768 -2.017 12.144 1.00 33.44 H new ATOM 1195 N THR A 74 -2.650 -3.316 13.666 1.00 23.52 N ATOM 1196 CA THR A 74 -2.958 -3.983 14.959 1.00 60.14 C ATOM 1197 C THR A 74 -2.177 -3.353 16.168 1.00 62.02 C ATOM 1198 O THR A 74 -2.820 -2.954 17.141 1.00 31.32 O ATOM 1199 CB THR A 74 -2.724 -5.534 14.877 1.00 63.51 C ATOM 1200 OG1 THR A 74 -3.459 -6.071 13.763 1.00 61.42 O ATOM 1201 CG2 THR A 74 -3.140 -6.268 16.170 1.00 61.41 C ATOM 0 H THR A 74 -1.985 -3.828 13.086 1.00 23.52 H new ATOM 0 HA THR A 74 -4.018 -3.812 15.148 1.00 60.14 H new ATOM 0 HB THR A 74 -1.654 -5.694 14.744 1.00 63.51 H new ATOM 0 HG1 THR A 74 -3.107 -5.697 12.928 1.00 61.42 H new ATOM 0 HG21 THR A 74 -2.956 -7.336 16.057 1.00 61.41 H new ATOM 0 HG22 THR A 74 -2.557 -5.886 17.008 1.00 61.41 H new ATOM 0 HG23 THR A 74 -4.200 -6.100 16.359 1.00 61.41 H new ATOM 1209 N PRO A 75 -0.791 -3.242 16.158 1.00 5.43 N ATOM 1210 CA PRO A 75 -0.020 -2.626 17.288 1.00 44.35 C ATOM 1211 C PRO A 75 -0.116 -1.074 17.366 1.00 20.40 C ATOM 1212 O PRO A 75 0.421 -0.469 18.304 1.00 22.21 O ATOM 1213 CB PRO A 75 1.455 -3.077 17.021 1.00 22.33 C ATOM 1214 CG PRO A 75 1.351 -4.117 15.945 1.00 4.43 C ATOM 1215 CD PRO A 75 0.150 -3.716 15.120 1.00 32.24 C ATOM 0 HA PRO A 75 -0.422 -2.953 18.247 1.00 44.35 H new ATOM 0 HB2 PRO A 75 2.073 -2.238 16.701 1.00 22.33 H new ATOM 0 HB3 PRO A 75 1.913 -3.485 17.922 1.00 22.33 H new ATOM 0 HG2 PRO A 75 2.255 -4.145 15.336 1.00 4.43 H new ATOM 0 HG3 PRO A 75 1.222 -5.112 16.371 1.00 4.43 H new ATOM 0 HD2 PRO A 75 0.392 -2.934 14.401 1.00 32.24 H new ATOM 0 HD3 PRO A 75 -0.255 -4.555 14.554 1.00 32.24 H new ATOM 1223 N TYR A 76 -0.776 -0.435 16.377 1.00 12.05 N ATOM 1224 CA TYR A 76 -0.939 1.049 16.335 1.00 53.15 C ATOM 1225 C TYR A 76 -2.433 1.465 16.226 1.00 2.50 C ATOM 1226 O TYR A 76 -3.218 0.759 15.587 1.00 44.03 O ATOM 1227 CB TYR A 76 -0.139 1.645 15.143 1.00 31.32 C ATOM 1228 CG TYR A 76 1.391 1.491 15.254 1.00 50.00 C ATOM 1229 CD1 TYR A 76 2.123 2.244 16.178 1.00 74.42 C ATOM 1230 CD2 TYR A 76 2.103 0.604 14.440 1.00 21.03 C ATOM 1231 CE1 TYR A 76 3.492 2.120 16.281 1.00 42.52 C ATOM 1232 CE2 TYR A 76 3.475 0.478 14.540 1.00 21.22 C ATOM 1233 CZ TYR A 76 4.163 1.241 15.462 1.00 42.55 C ATOM 1234 OH TYR A 76 5.531 1.125 15.566 1.00 1.42 O ATOM 0 H TYR A 76 -1.209 -0.919 15.590 1.00 12.05 H new ATOM 0 HA TYR A 76 -0.548 1.446 17.272 1.00 53.15 H new ATOM 0 HB2 TYR A 76 -0.473 1.166 14.223 1.00 31.32 H new ATOM 0 HB3 TYR A 76 -0.379 2.705 15.056 1.00 31.32 H new ATOM 0 HD1 TYR A 76 1.605 2.937 16.824 1.00 74.42 H new ATOM 0 HD2 TYR A 76 1.569 0.005 13.718 1.00 21.03 H new ATOM 0 HE1 TYR A 76 4.036 2.711 17.002 1.00 42.52 H new ATOM 0 HE2 TYR A 76 4.006 -0.213 13.901 1.00 21.22 H new ATOM 0 HH TYR A 76 5.853 0.462 14.920 1.00 1.42 H new ATOM 1244 N PRO A 77 -2.853 2.629 16.850 1.00 41.22 N ATOM 1245 CA PRO A 77 -4.247 3.155 16.730 1.00 4.05 C ATOM 1246 C PRO A 77 -4.545 3.753 15.333 1.00 71.14 C ATOM 1247 O PRO A 77 -3.619 4.000 14.554 1.00 21.11 O ATOM 1248 CB PRO A 77 -4.302 4.244 17.831 1.00 43.31 C ATOM 1249 CG PRO A 77 -2.891 4.733 17.938 1.00 31.44 C ATOM 1250 CD PRO A 77 -2.021 3.508 17.729 1.00 14.21 C ATOM 0 HA PRO A 77 -4.996 2.372 16.848 1.00 4.05 H new ATOM 0 HB2 PRO A 77 -4.983 5.050 17.559 1.00 43.31 H new ATOM 0 HB3 PRO A 77 -4.654 3.835 18.778 1.00 43.31 H new ATOM 0 HG2 PRO A 77 -2.682 5.496 17.188 1.00 31.44 H new ATOM 0 HG3 PRO A 77 -2.705 5.185 18.912 1.00 31.44 H new ATOM 0 HD2 PRO A 77 -1.073 3.766 17.256 1.00 14.21 H new ATOM 0 HD3 PRO A 77 -1.783 3.020 18.674 1.00 14.21 H new ATOM 1258 N ASN A 78 -5.847 4.026 15.071 1.00 20.40 N ATOM 1259 CA ASN A 78 -6.355 4.533 13.764 1.00 5.43 C ATOM 1260 C ASN A 78 -5.533 5.743 13.237 1.00 70.44 C ATOM 1261 O ASN A 78 -5.020 5.696 12.117 1.00 21.02 O ATOM 1262 CB ASN A 78 -7.859 4.915 13.903 1.00 61.11 C ATOM 1263 CG ASN A 78 -8.586 5.231 12.579 1.00 55.04 C ATOM 1264 OD1 ASN A 78 -8.005 5.702 11.609 1.00 71.50 O ATOM 1265 ND2 ASN A 78 -9.884 4.997 12.540 1.00 1.22 N ATOM 0 H ASN A 78 -6.584 3.901 15.765 1.00 20.40 H new ATOM 0 HA ASN A 78 -6.243 3.734 13.031 1.00 5.43 H new ATOM 0 HB2 ASN A 78 -8.380 4.096 14.398 1.00 61.11 H new ATOM 0 HB3 ASN A 78 -7.937 5.783 14.557 1.00 61.11 H new ATOM 0 HD21 ASN A 78 -10.415 5.209 11.695 1.00 1.22 H new ATOM 0 HD22 ASN A 78 -10.356 4.604 13.354 1.00 1.22 H new ATOM 1272 N THR A 79 -5.402 6.806 14.061 1.00 21.04 N ATOM 1273 CA THR A 79 -4.630 8.033 13.719 1.00 31.31 C ATOM 1274 C THR A 79 -3.159 7.739 13.307 1.00 23.24 C ATOM 1275 O THR A 79 -2.627 8.362 12.380 1.00 53.23 O ATOM 1276 CB THR A 79 -4.638 9.028 14.927 1.00 72.21 C ATOM 1277 OG1 THR A 79 -5.996 9.288 15.334 1.00 55.44 O ATOM 1278 CG2 THR A 79 -3.943 10.365 14.597 1.00 11.20 C ATOM 0 H THR A 79 -5.828 6.842 14.987 1.00 21.04 H new ATOM 0 HA THR A 79 -5.125 8.475 12.855 1.00 31.31 H new ATOM 0 HB THR A 79 -4.079 8.556 15.735 1.00 72.21 H new ATOM 0 HG1 THR A 79 -5.997 9.910 16.091 1.00 55.44 H new ATOM 0 HG21 THR A 79 -3.977 11.018 15.469 1.00 11.20 H new ATOM 0 HG22 THR A 79 -2.904 10.178 14.324 1.00 11.20 H new ATOM 0 HG23 THR A 79 -4.456 10.846 13.764 1.00 11.20 H new ATOM 1286 N LYS A 80 -2.511 6.793 14.009 1.00 64.22 N ATOM 1287 CA LYS A 80 -1.119 6.376 13.698 1.00 40.14 C ATOM 1288 C LYS A 80 -1.027 5.604 12.352 1.00 11.41 C ATOM 1289 O LYS A 80 -0.022 5.695 11.641 1.00 71.32 O ATOM 1290 CB LYS A 80 -0.546 5.506 14.838 1.00 10.43 C ATOM 1291 CG LYS A 80 0.984 5.286 14.763 1.00 31.34 C ATOM 1292 CD LYS A 80 1.790 6.574 15.039 1.00 1.34 C ATOM 1293 CE LYS A 80 3.300 6.322 15.130 1.00 24.43 C ATOM 1294 NZ LYS A 80 4.036 7.557 15.492 1.00 44.11 N ATOM 0 H LYS A 80 -2.924 6.298 14.799 1.00 64.22 H new ATOM 0 HA LYS A 80 -0.527 7.286 13.603 1.00 40.14 H new ATOM 0 HB2 LYS A 80 -0.788 5.973 15.793 1.00 10.43 H new ATOM 0 HB3 LYS A 80 -1.042 4.536 14.823 1.00 10.43 H new ATOM 0 HG2 LYS A 80 1.272 4.521 15.485 1.00 31.34 H new ATOM 0 HG3 LYS A 80 1.243 4.906 13.775 1.00 31.34 H new ATOM 0 HD2 LYS A 80 1.594 7.297 14.247 1.00 1.34 H new ATOM 0 HD3 LYS A 80 1.444 7.021 15.971 1.00 1.34 H new ATOM 0 HE2 LYS A 80 3.497 5.549 15.873 1.00 24.43 H new ATOM 0 HE3 LYS A 80 3.666 5.946 14.174 1.00 24.43 H new ATOM 0 HZ1 LYS A 80 5.059 7.377 15.446 1.00 44.11 H new ATOM 0 HZ2 LYS A 80 3.787 8.317 14.827 1.00 44.11 H new ATOM 0 HZ3 LYS A 80 3.778 7.844 16.458 1.00 44.11 H new ATOM 1308 N VAL A 81 -2.097 4.859 12.014 1.00 41.13 N ATOM 1309 CA VAL A 81 -2.201 4.129 10.723 1.00 74.32 C ATOM 1310 C VAL A 81 -2.357 5.142 9.549 1.00 73.02 C ATOM 1311 O VAL A 81 -1.977 4.859 8.411 1.00 55.11 O ATOM 1312 CB VAL A 81 -3.401 3.098 10.741 1.00 11.32 C ATOM 1313 CG1 VAL A 81 -3.520 2.306 9.413 1.00 25.43 C ATOM 1314 CG2 VAL A 81 -3.274 2.124 11.938 1.00 22.21 C ATOM 0 H VAL A 81 -2.910 4.743 12.618 1.00 41.13 H new ATOM 0 HA VAL A 81 -1.283 3.560 10.576 1.00 74.32 H new ATOM 0 HB VAL A 81 -4.314 3.682 10.854 1.00 11.32 H new ATOM 0 HG11 VAL A 81 -4.358 1.612 9.477 1.00 25.43 H new ATOM 0 HG12 VAL A 81 -3.685 3.000 8.589 1.00 25.43 H new ATOM 0 HG13 VAL A 81 -2.600 1.748 9.238 1.00 25.43 H new ATOM 0 HG21 VAL A 81 -4.110 1.425 11.929 1.00 22.21 H new ATOM 0 HG22 VAL A 81 -2.338 1.571 11.859 1.00 22.21 H new ATOM 0 HG23 VAL A 81 -3.284 2.689 12.870 1.00 22.21 H new ATOM 1324 N ILE A 82 -2.907 6.335 9.862 1.00 20.33 N ATOM 1325 CA ILE A 82 -3.032 7.460 8.905 1.00 74.41 C ATOM 1326 C ILE A 82 -1.662 8.137 8.663 1.00 31.21 C ATOM 1327 O ILE A 82 -1.241 8.302 7.517 1.00 32.14 O ATOM 1328 CB ILE A 82 -4.060 8.530 9.437 1.00 52.23 C ATOM 1329 CG1 ILE A 82 -5.429 7.855 9.762 1.00 61.32 C ATOM 1330 CG2 ILE A 82 -4.238 9.706 8.437 1.00 42.53 C ATOM 1331 CD1 ILE A 82 -6.420 8.739 10.481 1.00 24.30 C ATOM 0 H ILE A 82 -3.278 6.547 10.788 1.00 20.33 H new ATOM 0 HA ILE A 82 -3.395 7.052 7.961 1.00 74.41 H new ATOM 0 HB ILE A 82 -3.656 8.952 10.357 1.00 52.23 H new ATOM 0 HG12 ILE A 82 -5.879 7.513 8.830 1.00 61.32 H new ATOM 0 HG13 ILE A 82 -5.245 6.970 10.371 1.00 61.32 H new ATOM 0 HG21 ILE A 82 -4.954 10.422 8.841 1.00 42.53 H new ATOM 0 HG22 ILE A 82 -3.279 10.200 8.282 1.00 42.53 H new ATOM 0 HG23 ILE A 82 -4.606 9.322 7.485 1.00 42.53 H new ATOM 0 HD11 ILE A 82 -7.339 8.182 10.663 1.00 24.30 H new ATOM 0 HD12 ILE A 82 -5.997 9.061 11.432 1.00 24.30 H new ATOM 0 HD13 ILE A 82 -6.640 9.613 9.868 1.00 24.30 H new ATOM 1343 N GLU A 83 -0.988 8.531 9.761 1.00 41.32 N ATOM 1344 CA GLU A 83 0.337 9.196 9.725 1.00 33.33 C ATOM 1345 C GLU A 83 1.420 8.314 9.044 1.00 43.13 C ATOM 1346 O GLU A 83 2.062 8.736 8.068 1.00 14.11 O ATOM 1347 CB GLU A 83 0.745 9.562 11.181 1.00 12.21 C ATOM 1348 CG GLU A 83 2.135 10.255 11.349 1.00 51.23 C ATOM 1349 CD GLU A 83 3.147 9.427 12.170 1.00 72.21 C ATOM 1350 OE1 GLU A 83 3.049 9.417 13.407 1.00 52.14 O ATOM 1351 OE2 GLU A 83 4.033 8.780 11.579 1.00 72.40 O ATOM 0 H GLU A 83 -1.347 8.398 10.706 1.00 41.32 H new ATOM 0 HA GLU A 83 0.261 10.100 9.121 1.00 33.33 H new ATOM 0 HB2 GLU A 83 -0.019 10.219 11.597 1.00 12.21 H new ATOM 0 HB3 GLU A 83 0.741 8.650 11.778 1.00 12.21 H new ATOM 0 HG2 GLU A 83 2.555 10.451 10.362 1.00 51.23 H new ATOM 0 HG3 GLU A 83 1.993 11.222 11.832 1.00 51.23 H new ATOM 1358 N LEU A 84 1.608 7.086 9.570 1.00 2.15 N ATOM 1359 CA LEU A 84 2.511 6.076 8.973 1.00 42.41 C ATOM 1360 C LEU A 84 2.049 5.679 7.550 1.00 24.23 C ATOM 1361 O LEU A 84 2.869 5.592 6.640 1.00 55.24 O ATOM 1362 CB LEU A 84 2.614 4.816 9.889 1.00 74.24 C ATOM 1363 CG LEU A 84 3.419 4.997 11.215 1.00 73.02 C ATOM 1364 CD1 LEU A 84 3.370 3.717 12.084 1.00 72.13 C ATOM 1365 CD2 LEU A 84 4.877 5.424 10.921 1.00 50.41 C ATOM 0 H LEU A 84 1.140 6.766 10.418 1.00 2.15 H new ATOM 0 HA LEU A 84 3.501 6.524 8.890 1.00 42.41 H new ATOM 0 HB2 LEU A 84 1.605 4.492 10.142 1.00 74.24 H new ATOM 0 HB3 LEU A 84 3.073 4.011 9.315 1.00 74.24 H new ATOM 0 HG LEU A 84 2.946 5.795 11.787 1.00 73.02 H new ATOM 0 HD11 LEU A 84 3.940 3.877 12.999 1.00 72.13 H new ATOM 0 HD12 LEU A 84 2.335 3.488 12.337 1.00 72.13 H new ATOM 0 HD13 LEU A 84 3.801 2.884 11.529 1.00 72.13 H new ATOM 0 HD21 LEU A 84 5.417 5.544 11.860 1.00 50.41 H new ATOM 0 HD22 LEU A 84 5.365 4.660 10.316 1.00 50.41 H new ATOM 0 HD23 LEU A 84 4.877 6.370 10.379 1.00 50.41 H new ATOM 1377 N GLY A 85 0.722 5.539 7.370 1.00 5.14 N ATOM 1378 CA GLY A 85 0.142 5.042 6.109 1.00 72.25 C ATOM 1379 C GLY A 85 0.436 5.955 4.917 1.00 31.33 C ATOM 1380 O GLY A 85 0.962 5.508 3.904 1.00 31.43 O ATOM 0 H GLY A 85 0.030 5.764 8.085 1.00 5.14 H new ATOM 0 HA2 GLY A 85 0.534 4.046 5.903 1.00 72.25 H new ATOM 0 HA3 GLY A 85 -0.937 4.942 6.226 1.00 72.25 H new ATOM 1384 N THR A 86 0.144 7.252 5.072 1.00 3.32 N ATOM 1385 CA THR A 86 0.383 8.277 4.025 1.00 31.43 C ATOM 1386 C THR A 86 1.882 8.408 3.654 1.00 63.24 C ATOM 1387 O THR A 86 2.208 8.645 2.503 1.00 72.30 O ATOM 1388 CB THR A 86 -0.153 9.678 4.458 1.00 54.33 C ATOM 1389 OG1 THR A 86 0.401 10.031 5.737 1.00 62.24 O ATOM 1390 CG2 THR A 86 -1.689 9.721 4.530 1.00 43.24 C ATOM 0 H THR A 86 -0.266 7.630 5.926 1.00 3.32 H new ATOM 0 HA THR A 86 -0.164 7.933 3.147 1.00 31.43 H new ATOM 0 HB THR A 86 0.158 10.396 3.699 1.00 54.33 H new ATOM 0 HG1 THR A 86 -0.066 9.538 6.443 1.00 62.24 H new ATOM 0 HG21 THR A 86 -2.011 10.716 4.835 1.00 43.24 H new ATOM 0 HG22 THR A 86 -2.106 9.490 3.550 1.00 43.24 H new ATOM 0 HG23 THR A 86 -2.040 8.987 5.256 1.00 43.24 H new ATOM 1398 N LYS A 87 2.791 8.273 4.635 1.00 3.43 N ATOM 1399 CA LYS A 87 4.255 8.272 4.363 1.00 34.31 C ATOM 1400 C LYS A 87 4.742 6.968 3.688 1.00 72.53 C ATOM 1401 O LYS A 87 5.839 6.941 3.129 1.00 11.42 O ATOM 1402 CB LYS A 87 5.061 8.570 5.657 1.00 44.31 C ATOM 1403 CG LYS A 87 5.082 10.066 6.029 1.00 10.22 C ATOM 1404 CD LYS A 87 5.905 10.408 7.298 1.00 31.32 C ATOM 1405 CE LYS A 87 5.159 10.116 8.614 1.00 2.13 C ATOM 1406 NZ LYS A 87 4.834 8.676 8.792 1.00 42.35 N ATOM 0 H LYS A 87 2.549 8.163 5.620 1.00 3.43 H new ATOM 0 HA LYS A 87 4.439 9.074 3.648 1.00 34.31 H new ATOM 0 HB2 LYS A 87 4.632 8.003 6.483 1.00 44.31 H new ATOM 0 HB3 LYS A 87 6.085 8.220 5.528 1.00 44.31 H new ATOM 0 HG2 LYS A 87 5.486 10.630 5.188 1.00 10.22 H new ATOM 0 HG3 LYS A 87 4.056 10.404 6.176 1.00 10.22 H new ATOM 0 HD2 LYS A 87 6.834 9.838 7.283 1.00 31.32 H new ATOM 0 HD3 LYS A 87 6.177 11.463 7.271 1.00 31.32 H new ATOM 0 HE2 LYS A 87 5.769 10.451 9.453 1.00 2.13 H new ATOM 0 HE3 LYS A 87 4.237 10.696 8.639 1.00 2.13 H new ATOM 0 HZ1 LYS A 87 4.752 8.461 9.806 1.00 42.35 H new ATOM 0 HZ2 LYS A 87 3.933 8.463 8.319 1.00 42.35 H new ATOM 0 HZ3 LYS A 87 5.590 8.095 8.375 1.00 42.35 H new ATOM 1420 N HIS A 88 3.926 5.900 3.736 1.00 42.23 N ATOM 1421 CA HIS A 88 4.241 4.614 3.063 1.00 51.22 C ATOM 1422 C HIS A 88 3.772 4.621 1.589 1.00 74.32 C ATOM 1423 O HIS A 88 4.482 4.123 0.712 1.00 73.52 O ATOM 1424 CB HIS A 88 3.621 3.424 3.844 1.00 15.13 C ATOM 1425 CG HIS A 88 4.227 3.197 5.208 1.00 61.20 C ATOM 1426 ND1 HIS A 88 3.830 2.178 6.038 1.00 13.24 N ATOM 1427 CD2 HIS A 88 5.198 3.869 5.886 1.00 73.20 C ATOM 1428 CE1 HIS A 88 4.518 2.228 7.157 1.00 44.05 C ATOM 1429 NE2 HIS A 88 5.358 3.241 7.094 1.00 72.43 N ATOM 0 H HIS A 88 3.037 5.897 4.236 1.00 42.23 H new ATOM 0 HA HIS A 88 5.324 4.491 3.059 1.00 51.22 H new ATOM 0 HB2 HIS A 88 2.551 3.597 3.958 1.00 15.13 H new ATOM 0 HB3 HIS A 88 3.736 2.516 3.252 1.00 15.13 H new ATOM 0 HD2 HIS A 88 5.741 4.735 5.537 1.00 73.20 H new ATOM 0 HE1 HIS A 88 4.412 1.550 7.991 1.00 44.05 H new ATOM 0 HE2 HIS A 88 6.018 3.513 7.823 1.00 72.43 H new ATOM 1438 N PHE A 89 2.575 5.188 1.328 1.00 32.32 N ATOM 1439 CA PHE A 89 2.021 5.311 -0.046 1.00 40.43 C ATOM 1440 C PHE A 89 2.438 6.659 -0.686 1.00 14.20 C ATOM 1441 O PHE A 89 3.205 6.701 -1.648 1.00 34.55 O ATOM 1442 CB PHE A 89 0.465 5.193 -0.022 1.00 72.43 C ATOM 1443 CG PHE A 89 -0.056 3.890 0.589 1.00 4.12 C ATOM 1444 CD1 PHE A 89 -0.080 2.711 -0.150 1.00 4.11 C ATOM 1445 CD2 PHE A 89 -0.503 3.841 1.908 1.00 52.21 C ATOM 1446 CE1 PHE A 89 -0.527 1.532 0.411 1.00 50.23 C ATOM 1447 CE2 PHE A 89 -0.950 2.665 2.466 1.00 52.43 C ATOM 1448 CZ PHE A 89 -0.958 1.511 1.720 1.00 4.23 C ATOM 0 H PHE A 89 1.967 5.571 2.052 1.00 32.32 H new ATOM 0 HA PHE A 89 2.427 4.498 -0.648 1.00 40.43 H new ATOM 0 HB2 PHE A 89 0.057 6.033 0.540 1.00 72.43 H new ATOM 0 HB3 PHE A 89 0.090 5.279 -1.042 1.00 72.43 H new ATOM 0 HD1 PHE A 89 0.256 2.719 -1.176 1.00 4.11 H new ATOM 0 HD2 PHE A 89 -0.499 4.742 2.503 1.00 52.21 H new ATOM 0 HE1 PHE A 89 -0.539 0.625 -0.176 1.00 50.23 H new ATOM 0 HE2 PHE A 89 -1.294 2.649 3.490 1.00 52.43 H new ATOM 0 HZ PHE A 89 -1.302 0.587 2.160 1.00 4.23 H new ATOM 1458 N LEU A 90 1.954 7.762 -0.094 1.00 33.23 N ATOM 1459 CA LEU A 90 2.050 9.131 -0.676 1.00 43.44 C ATOM 1460 C LEU A 90 3.426 9.798 -0.397 1.00 12.14 C ATOM 1461 O LEU A 90 3.713 10.876 -0.931 1.00 12.25 O ATOM 1462 CB LEU A 90 0.903 10.023 -0.103 1.00 4.02 C ATOM 1463 CG LEU A 90 -0.501 9.346 0.030 1.00 63.14 C ATOM 1464 CD1 LEU A 90 -1.560 10.348 0.546 1.00 14.43 C ATOM 1465 CD2 LEU A 90 -0.932 8.679 -1.297 1.00 11.44 C ATOM 0 H LEU A 90 1.480 7.740 0.809 1.00 33.23 H new ATOM 0 HA LEU A 90 1.950 9.037 -1.757 1.00 43.44 H new ATOM 0 HB2 LEU A 90 1.206 10.379 0.882 1.00 4.02 H new ATOM 0 HB3 LEU A 90 0.801 10.900 -0.741 1.00 4.02 H new ATOM 0 HG LEU A 90 -0.420 8.553 0.774 1.00 63.14 H new ATOM 0 HD11 LEU A 90 -2.525 9.848 0.628 1.00 14.43 H new ATOM 0 HD12 LEU A 90 -1.261 10.721 1.525 1.00 14.43 H new ATOM 0 HD13 LEU A 90 -1.642 11.182 -0.151 1.00 14.43 H new ATOM 0 HD21 LEU A 90 -1.912 8.218 -1.171 1.00 11.44 H new ATOM 0 HD22 LEU A 90 -0.984 9.433 -2.083 1.00 11.44 H new ATOM 0 HD23 LEU A 90 -0.205 7.916 -1.574 1.00 11.44 H new ATOM 1477 N GLY A 91 4.239 9.168 0.481 1.00 44.53 N ATOM 1478 CA GLY A 91 5.575 9.683 0.847 1.00 33.32 C ATOM 1479 C GLY A 91 5.550 11.031 1.592 1.00 11.31 C ATOM 1480 O GLY A 91 6.551 11.751 1.610 1.00 33.32 O ATOM 0 H GLY A 91 3.990 8.298 0.951 1.00 44.53 H new ATOM 0 HA2 GLY A 91 6.078 8.945 1.472 1.00 33.32 H new ATOM 0 HA3 GLY A 91 6.171 9.793 -0.059 1.00 33.32 H new ATOM 1484 N ARG A 92 4.397 11.362 2.208 1.00 2.21 N ATOM 1485 CA ARG A 92 4.183 12.641 2.933 1.00 21.44 C ATOM 1486 C ARG A 92 3.185 12.458 4.099 1.00 1.21 C ATOM 1487 O ARG A 92 2.531 11.427 4.210 1.00 64.42 O ATOM 1488 CB ARG A 92 3.646 13.741 1.970 1.00 43.43 C ATOM 1489 CG ARG A 92 2.302 13.394 1.259 1.00 0.44 C ATOM 1490 CD ARG A 92 1.559 14.641 0.737 1.00 63.32 C ATOM 1491 NE ARG A 92 1.120 15.504 1.847 1.00 52.34 N ATOM 1492 CZ ARG A 92 0.598 16.704 1.732 1.00 35.31 C ATOM 1493 NH1 ARG A 92 0.402 17.251 0.573 1.00 24.14 N ATOM 1494 NH2 ARG A 92 0.271 17.347 2.801 1.00 74.45 N ATOM 0 H ARG A 92 3.581 10.750 2.219 1.00 2.21 H new ATOM 0 HA ARG A 92 5.148 12.952 3.334 1.00 21.44 H new ATOM 0 HB2 ARG A 92 3.514 14.664 2.534 1.00 43.43 H new ATOM 0 HB3 ARG A 92 4.402 13.938 1.210 1.00 43.43 H new ATOM 0 HG2 ARG A 92 2.501 12.721 0.425 1.00 0.44 H new ATOM 0 HG3 ARG A 92 1.657 12.858 1.955 1.00 0.44 H new ATOM 0 HD2 ARG A 92 2.213 15.205 0.071 1.00 63.32 H new ATOM 0 HD3 ARG A 92 0.695 14.333 0.149 1.00 63.32 H new ATOM 0 HE ARG A 92 1.232 15.136 2.792 1.00 52.34 H new ATOM 0 HH11 ARG A 92 0.655 16.748 -0.278 1.00 24.14 H new ATOM 0 HH12 ARG A 92 -0.005 18.184 0.512 1.00 24.14 H new ATOM 0 HH21 ARG A 92 0.419 16.923 3.717 1.00 74.45 H new ATOM 0 HH22 ARG A 92 -0.136 18.280 2.731 1.00 74.45 H new ATOM 1508 N ALA A 93 3.072 13.487 4.952 1.00 50.42 N ATOM 1509 CA ALA A 93 2.087 13.525 6.061 1.00 43.04 C ATOM 1510 C ALA A 93 0.787 14.249 5.603 1.00 31.54 C ATOM 1511 O ALA A 93 0.864 15.132 4.737 1.00 1.04 O ATOM 1512 CB ALA A 93 2.718 14.234 7.277 1.00 71.12 C ATOM 0 H ALA A 93 3.658 14.320 4.899 1.00 50.42 H new ATOM 0 HA ALA A 93 1.818 12.508 6.347 1.00 43.04 H new ATOM 0 HB1 ALA A 93 1.998 14.264 8.095 1.00 71.12 H new ATOM 0 HB2 ALA A 93 3.606 13.688 7.596 1.00 71.12 H new ATOM 0 HB3 ALA A 93 2.997 15.251 7.001 1.00 71.12 H new ATOM 1518 N PRO A 94 -0.429 13.903 6.170 1.00 21.33 N ATOM 1519 CA PRO A 94 -1.720 14.573 5.803 1.00 42.43 C ATOM 1520 C PRO A 94 -1.694 16.104 6.057 1.00 15.25 C ATOM 1521 O PRO A 94 -0.885 16.590 6.860 1.00 61.11 O ATOM 1522 CB PRO A 94 -2.772 13.866 6.705 1.00 14.31 C ATOM 1523 CG PRO A 94 -2.128 12.571 7.104 1.00 30.30 C ATOM 1524 CD PRO A 94 -0.647 12.858 7.207 1.00 10.34 C ATOM 0 HA PRO A 94 -1.937 14.481 4.739 1.00 42.43 H new ATOM 0 HB2 PRO A 94 -3.015 14.472 7.578 1.00 14.31 H new ATOM 0 HB3 PRO A 94 -3.704 13.695 6.166 1.00 14.31 H new ATOM 0 HG2 PRO A 94 -2.524 12.215 8.055 1.00 30.30 H new ATOM 0 HG3 PRO A 94 -2.325 11.793 6.366 1.00 30.30 H new ATOM 0 HD2 PRO A 94 -0.374 13.214 8.201 1.00 10.34 H new ATOM 0 HD3 PRO A 94 -0.050 11.967 7.012 1.00 10.34 H new ATOM 1532 N ILE A 95 -2.601 16.852 5.399 1.00 5.02 N ATOM 1533 CA ILE A 95 -2.552 18.331 5.363 1.00 34.12 C ATOM 1534 C ILE A 95 -2.855 18.945 6.755 1.00 1.33 C ATOM 1535 O ILE A 95 -1.997 19.615 7.347 1.00 62.44 O ATOM 1536 CB ILE A 95 -3.548 18.902 4.279 1.00 4.22 C ATOM 1537 CG1 ILE A 95 -3.153 18.396 2.846 1.00 34.22 C ATOM 1538 CG2 ILE A 95 -3.634 20.453 4.335 1.00 31.11 C ATOM 1539 CD1 ILE A 95 -4.039 18.906 1.712 1.00 10.51 C ATOM 0 H ILE A 95 -3.384 16.454 4.880 1.00 5.02 H new ATOM 0 HA ILE A 95 -1.537 18.616 5.085 1.00 34.12 H new ATOM 0 HB ILE A 95 -4.544 18.524 4.508 1.00 4.22 H new ATOM 0 HG12 ILE A 95 -2.124 18.693 2.644 1.00 34.22 H new ATOM 0 HG13 ILE A 95 -3.177 17.306 2.843 1.00 34.22 H new ATOM 0 HG21 ILE A 95 -4.329 20.807 3.574 1.00 31.11 H new ATOM 0 HG22 ILE A 95 -3.985 20.763 5.319 1.00 31.11 H new ATOM 0 HG23 ILE A 95 -2.648 20.879 4.151 1.00 31.11 H new ATOM 0 HD11 ILE A 95 -3.685 18.501 0.764 1.00 10.51 H new ATOM 0 HD12 ILE A 95 -5.067 18.587 1.882 1.00 10.51 H new ATOM 0 HD13 ILE A 95 -3.998 19.995 1.680 1.00 10.51 H new ATOM 1551 N ASP A 96 -4.068 18.704 7.271 1.00 11.12 N ATOM 1552 CA ASP A 96 -4.551 19.293 8.541 1.00 34.14 C ATOM 1553 C ASP A 96 -5.216 18.199 9.419 1.00 64.43 C ATOM 1554 O ASP A 96 -5.566 17.124 8.916 1.00 33.34 O ATOM 1555 CB ASP A 96 -5.534 20.454 8.187 1.00 3.53 C ATOM 1556 CG ASP A 96 -6.304 21.032 9.386 1.00 31.14 C ATOM 1557 OD1 ASP A 96 -5.664 21.572 10.308 1.00 1.34 O ATOM 1558 OD2 ASP A 96 -7.543 20.891 9.438 1.00 63.21 O ATOM 0 H ASP A 96 -4.750 18.093 6.822 1.00 11.12 H new ATOM 0 HA ASP A 96 -3.726 19.698 9.126 1.00 34.14 H new ATOM 0 HB2 ASP A 96 -4.970 21.258 7.713 1.00 3.53 H new ATOM 0 HB3 ASP A 96 -6.252 20.092 7.451 1.00 3.53 H new ATOM 1563 N GLN A 97 -5.392 18.485 10.733 1.00 52.33 N ATOM 1564 CA GLN A 97 -5.997 17.543 11.712 1.00 73.54 C ATOM 1565 C GLN A 97 -7.440 17.123 11.323 1.00 50.54 C ATOM 1566 O GLN A 97 -7.845 15.990 11.582 1.00 15.23 O ATOM 1567 CB GLN A 97 -5.985 18.179 13.131 1.00 43.15 C ATOM 1568 CG GLN A 97 -6.549 17.296 14.273 1.00 4.20 C ATOM 1569 CD GLN A 97 -5.750 16.010 14.510 1.00 0.12 C ATOM 1570 OE1 GLN A 97 -4.800 15.990 15.284 1.00 14.05 O ATOM 1571 NE2 GLN A 97 -6.132 14.927 13.858 1.00 12.03 N ATOM 0 H GLN A 97 -5.118 19.377 11.146 1.00 52.33 H new ATOM 0 HA GLN A 97 -5.392 16.636 11.708 1.00 73.54 H new ATOM 0 HB2 GLN A 97 -4.958 18.448 13.379 1.00 43.15 H new ATOM 0 HB3 GLN A 97 -6.558 19.106 13.098 1.00 43.15 H new ATOM 0 HG2 GLN A 97 -6.566 17.877 15.195 1.00 4.20 H new ATOM 0 HG3 GLN A 97 -7.581 17.034 14.042 1.00 4.20 H new ATOM 0 HE21 GLN A 97 -6.926 14.970 13.219 1.00 12.03 H new ATOM 0 HE22 GLN A 97 -5.633 14.048 13.993 1.00 12.03 H new ATOM 1580 N ALA A 98 -8.199 18.039 10.687 1.00 33.20 N ATOM 1581 CA ALA A 98 -9.566 17.736 10.187 1.00 50.13 C ATOM 1582 C ALA A 98 -9.542 16.687 9.041 1.00 42.13 C ATOM 1583 O ALA A 98 -10.461 15.872 8.919 1.00 64.24 O ATOM 1584 CB ALA A 98 -10.276 19.019 9.732 1.00 55.13 C ATOM 0 H ALA A 98 -7.893 18.995 10.505 1.00 33.20 H new ATOM 0 HA ALA A 98 -10.127 17.303 11.015 1.00 50.13 H new ATOM 0 HB1 ALA A 98 -11.274 18.774 9.370 1.00 55.13 H new ATOM 0 HB2 ALA A 98 -10.354 19.709 10.572 1.00 55.13 H new ATOM 0 HB3 ALA A 98 -9.704 19.486 8.930 1.00 55.13 H new ATOM 1590 N GLU A 99 -8.478 16.726 8.204 1.00 24.24 N ATOM 1591 CA GLU A 99 -8.261 15.729 7.121 1.00 13.50 C ATOM 1592 C GLU A 99 -7.844 14.352 7.704 1.00 14.04 C ATOM 1593 O GLU A 99 -8.237 13.302 7.182 1.00 14.20 O ATOM 1594 CB GLU A 99 -7.189 16.227 6.109 1.00 2.32 C ATOM 1595 CG GLU A 99 -6.997 15.292 4.895 1.00 73.43 C ATOM 1596 CD GLU A 99 -5.936 15.765 3.893 1.00 13.12 C ATOM 1597 OE1 GLU A 99 -6.260 16.625 3.048 1.00 31.24 O ATOM 1598 OE2 GLU A 99 -4.787 15.279 3.945 1.00 14.14 O ATOM 0 H GLU A 99 -7.751 17.440 8.256 1.00 24.24 H new ATOM 0 HA GLU A 99 -9.207 15.609 6.593 1.00 13.50 H new ATOM 0 HB2 GLU A 99 -7.472 17.217 5.752 1.00 2.32 H new ATOM 0 HB3 GLU A 99 -6.236 16.335 6.627 1.00 2.32 H new ATOM 0 HG2 GLU A 99 -6.723 14.300 5.255 1.00 73.43 H new ATOM 0 HG3 GLU A 99 -7.950 15.190 4.376 1.00 73.43 H new ATOM 1605 N ILE A 100 -7.040 14.378 8.785 1.00 60.12 N ATOM 1606 CA ILE A 100 -6.687 13.161 9.555 1.00 31.30 C ATOM 1607 C ILE A 100 -7.968 12.516 10.149 1.00 32.22 C ATOM 1608 O ILE A 100 -8.161 11.310 10.063 1.00 14.40 O ATOM 1609 CB ILE A 100 -5.661 13.490 10.709 1.00 40.23 C ATOM 1610 CG1 ILE A 100 -4.371 14.168 10.134 1.00 42.24 C ATOM 1611 CG2 ILE A 100 -5.305 12.226 11.534 1.00 31.14 C ATOM 1612 CD1 ILE A 100 -3.352 14.615 11.177 1.00 23.31 C ATOM 0 H ILE A 100 -6.619 15.233 9.149 1.00 60.12 H new ATOM 0 HA ILE A 100 -6.212 12.456 8.872 1.00 31.30 H new ATOM 0 HB ILE A 100 -6.143 14.196 11.385 1.00 40.23 H new ATOM 0 HG12 ILE A 100 -3.886 13.470 9.452 1.00 42.24 H new ATOM 0 HG13 ILE A 100 -4.668 15.035 9.544 1.00 42.24 H new ATOM 0 HG21 ILE A 100 -4.597 12.491 12.319 1.00 31.14 H new ATOM 0 HG22 ILE A 100 -6.210 11.819 11.985 1.00 31.14 H new ATOM 0 HG23 ILE A 100 -4.858 11.478 10.879 1.00 31.14 H new ATOM 0 HD11 ILE A 100 -2.497 15.071 10.678 1.00 23.31 H new ATOM 0 HD12 ILE A 100 -3.812 15.342 11.847 1.00 23.31 H new ATOM 0 HD13 ILE A 100 -3.018 13.752 11.753 1.00 23.31 H new ATOM 1624 N ARG A 101 -8.855 13.364 10.703 1.00 62.34 N ATOM 1625 CA ARG A 101 -10.161 12.931 11.254 1.00 11.42 C ATOM 1626 C ARG A 101 -11.105 12.401 10.147 1.00 22.05 C ATOM 1627 O ARG A 101 -11.955 11.553 10.416 1.00 1.22 O ATOM 1628 CB ARG A 101 -10.839 14.072 12.052 1.00 21.12 C ATOM 1629 CG ARG A 101 -10.113 14.450 13.363 1.00 32.13 C ATOM 1630 CD ARG A 101 -10.897 15.479 14.197 1.00 3.42 C ATOM 1631 NE ARG A 101 -11.022 16.793 13.524 1.00 71.02 N ATOM 1632 CZ ARG A 101 -12.156 17.381 13.186 1.00 33.44 C ATOM 1633 NH1 ARG A 101 -13.299 16.784 13.326 1.00 11.10 N ATOM 1634 NH2 ARG A 101 -12.130 18.571 12.697 1.00 33.43 N ATOM 0 H ARG A 101 -8.691 14.367 10.783 1.00 62.34 H new ATOM 0 HA ARG A 101 -9.962 12.107 11.939 1.00 11.42 H new ATOM 0 HB2 ARG A 101 -10.902 14.956 11.417 1.00 21.12 H new ATOM 0 HB3 ARG A 101 -11.861 13.776 12.289 1.00 21.12 H new ATOM 0 HG2 ARG A 101 -9.954 13.551 13.958 1.00 32.13 H new ATOM 0 HG3 ARG A 101 -9.129 14.854 13.126 1.00 32.13 H new ATOM 0 HD2 ARG A 101 -11.893 15.087 14.405 1.00 3.42 H new ATOM 0 HD3 ARG A 101 -10.400 15.615 15.158 1.00 3.42 H new ATOM 0 HE ARG A 101 -10.157 17.287 13.302 1.00 71.02 H new ATOM 0 HH11 ARG A 101 -13.337 15.838 13.705 1.00 11.10 H new ATOM 0 HH12 ARG A 101 -14.160 17.261 13.057 1.00 11.10 H new ATOM 0 HH21 ARG A 101 -11.239 19.052 12.573 1.00 33.43 H new ATOM 0 HH22 ARG A 101 -13.000 19.033 12.433 1.00 33.43 H new ATOM 1648 N LYS A 102 -10.962 12.936 8.919 1.00 23.12 N ATOM 1649 CA LYS A 102 -11.686 12.429 7.728 1.00 12.35 C ATOM 1650 C LYS A 102 -11.288 10.960 7.415 1.00 5.40 C ATOM 1651 O LYS A 102 -12.157 10.096 7.287 1.00 63.44 O ATOM 1652 CB LYS A 102 -11.387 13.327 6.500 1.00 75.13 C ATOM 1653 CG LYS A 102 -12.041 12.864 5.171 1.00 31.21 C ATOM 1654 CD LYS A 102 -11.482 13.610 3.936 1.00 51.53 C ATOM 1655 CE LYS A 102 -9.980 13.339 3.718 1.00 20.43 C ATOM 1656 NZ LYS A 102 -9.438 14.073 2.552 1.00 44.44 N ATOM 0 H LYS A 102 -10.347 13.726 8.721 1.00 23.12 H new ATOM 0 HA LYS A 102 -12.754 12.457 7.945 1.00 12.35 H new ATOM 0 HB2 LYS A 102 -11.725 14.340 6.719 1.00 75.13 H new ATOM 0 HB3 LYS A 102 -10.307 13.374 6.358 1.00 75.13 H new ATOM 0 HG2 LYS A 102 -11.881 11.793 5.046 1.00 31.21 H new ATOM 0 HG3 LYS A 102 -13.118 13.021 5.228 1.00 31.21 H new ATOM 0 HD2 LYS A 102 -12.036 13.305 3.049 1.00 51.53 H new ATOM 0 HD3 LYS A 102 -11.641 14.681 4.059 1.00 51.53 H new ATOM 0 HE2 LYS A 102 -9.428 13.626 4.613 1.00 20.43 H new ATOM 0 HE3 LYS A 102 -9.823 12.270 3.576 1.00 20.43 H new ATOM 0 HZ1 LYS A 102 -8.426 13.859 2.447 1.00 44.44 H new ATOM 0 HZ2 LYS A 102 -9.945 13.781 1.692 1.00 44.44 H new ATOM 0 HZ3 LYS A 102 -9.562 15.095 2.697 1.00 44.44 H new ATOM 1670 N TYR A 103 -9.965 10.694 7.304 1.00 11.22 N ATOM 1671 CA TYR A 103 -9.432 9.322 7.068 1.00 41.40 C ATOM 1672 C TYR A 103 -9.790 8.367 8.230 1.00 30.42 C ATOM 1673 O TYR A 103 -10.078 7.188 8.011 1.00 4.14 O ATOM 1674 CB TYR A 103 -7.891 9.345 6.883 1.00 42.11 C ATOM 1675 CG TYR A 103 -7.393 10.148 5.674 1.00 51.40 C ATOM 1676 CD1 TYR A 103 -7.928 9.938 4.399 1.00 24.54 C ATOM 1677 CD2 TYR A 103 -6.391 11.112 5.807 1.00 24.14 C ATOM 1678 CE1 TYR A 103 -7.484 10.664 3.310 1.00 22.21 C ATOM 1679 CE2 TYR A 103 -5.948 11.842 4.722 1.00 63.25 C ATOM 1680 CZ TYR A 103 -6.496 11.615 3.477 1.00 33.43 C ATOM 1681 OH TYR A 103 -6.070 12.352 2.393 1.00 74.14 O ATOM 0 H TYR A 103 -9.242 11.410 7.374 1.00 11.22 H new ATOM 0 HA TYR A 103 -9.899 8.955 6.154 1.00 41.40 H new ATOM 0 HB2 TYR A 103 -7.438 9.757 7.785 1.00 42.11 H new ATOM 0 HB3 TYR A 103 -7.536 8.319 6.789 1.00 42.11 H new ATOM 0 HD1 TYR A 103 -8.701 9.196 4.263 1.00 24.54 H new ATOM 0 HD2 TYR A 103 -5.954 11.290 6.778 1.00 24.14 H new ATOM 0 HE1 TYR A 103 -7.908 10.489 2.332 1.00 22.21 H new ATOM 0 HE2 TYR A 103 -5.176 12.587 4.848 1.00 63.25 H new ATOM 0 HH TYR A 103 -5.372 12.978 2.677 1.00 74.14 H new ATOM 1691 N ASN A 104 -9.757 8.912 9.460 1.00 70.43 N ATOM 1692 CA ASN A 104 -10.127 8.196 10.703 1.00 14.25 C ATOM 1693 C ASN A 104 -11.619 7.787 10.680 1.00 45.22 C ATOM 1694 O ASN A 104 -11.977 6.683 11.102 1.00 50.11 O ATOM 1695 CB ASN A 104 -9.805 9.123 11.920 1.00 12.15 C ATOM 1696 CG ASN A 104 -9.854 8.445 13.301 1.00 54.44 C ATOM 1697 OD1 ASN A 104 -10.739 7.653 13.606 1.00 42.41 O ATOM 1698 ND2 ASN A 104 -8.875 8.732 14.143 1.00 42.11 N ATOM 0 H ASN A 104 -9.469 9.876 9.625 1.00 70.43 H new ATOM 0 HA ASN A 104 -9.550 7.275 10.789 1.00 14.25 H new ATOM 0 HB2 ASN A 104 -8.811 9.547 11.778 1.00 12.15 H new ATOM 0 HB3 ASN A 104 -10.510 9.954 11.918 1.00 12.15 H new ATOM 0 HD21 ASN A 104 -8.848 8.292 15.063 1.00 42.11 H new ATOM 0 HD22 ASN A 104 -8.147 9.393 13.872 1.00 42.11 H new ATOM 1705 N GLN A 105 -12.465 8.694 10.157 1.00 72.02 N ATOM 1706 CA GLN A 105 -13.918 8.469 10.021 1.00 23.03 C ATOM 1707 C GLN A 105 -14.216 7.367 8.975 1.00 73.41 C ATOM 1708 O GLN A 105 -15.040 6.491 9.224 1.00 52.02 O ATOM 1709 CB GLN A 105 -14.639 9.796 9.639 1.00 62.14 C ATOM 1710 CG GLN A 105 -16.183 9.719 9.607 1.00 42.33 C ATOM 1711 CD GLN A 105 -16.799 9.396 10.973 1.00 24.15 C ATOM 1712 OE1 GLN A 105 -17.110 10.288 11.757 1.00 51.32 O ATOM 1713 NE2 GLN A 105 -16.961 8.120 11.276 1.00 54.42 N ATOM 0 H GLN A 105 -12.160 9.606 9.816 1.00 72.02 H new ATOM 0 HA GLN A 105 -14.300 8.129 10.984 1.00 23.03 H new ATOM 0 HB2 GLN A 105 -14.344 10.569 10.349 1.00 62.14 H new ATOM 0 HB3 GLN A 105 -14.286 10.113 8.658 1.00 62.14 H new ATOM 0 HG2 GLN A 105 -16.581 10.670 9.252 1.00 42.33 H new ATOM 0 HG3 GLN A 105 -16.488 8.958 8.889 1.00 42.33 H new ATOM 0 HE21 GLN A 105 -16.694 7.399 10.606 1.00 54.42 H new ATOM 0 HE22 GLN A 105 -17.353 7.856 12.180 1.00 54.42 H new ATOM 1722 N ILE A 106 -13.524 7.428 7.816 1.00 45.32 N ATOM 1723 CA ILE A 106 -13.650 6.432 6.718 1.00 1.32 C ATOM 1724 C ILE A 106 -13.224 5.012 7.182 1.00 13.22 C ATOM 1725 O ILE A 106 -13.883 4.015 6.864 1.00 55.44 O ATOM 1726 CB ILE A 106 -12.791 6.882 5.463 1.00 3.31 C ATOM 1727 CG1 ILE A 106 -13.331 8.238 4.889 1.00 71.11 C ATOM 1728 CG2 ILE A 106 -12.739 5.788 4.356 1.00 15.53 C ATOM 1729 CD1 ILE A 106 -12.486 8.864 3.784 1.00 74.44 C ATOM 0 H ILE A 106 -12.857 8.172 7.610 1.00 45.32 H new ATOM 0 HA ILE A 106 -14.701 6.386 6.432 1.00 1.32 H new ATOM 0 HB ILE A 106 -11.767 7.028 5.806 1.00 3.31 H new ATOM 0 HG12 ILE A 106 -14.338 8.075 4.505 1.00 71.11 H new ATOM 0 HG13 ILE A 106 -13.414 8.952 5.708 1.00 71.11 H new ATOM 0 HG21 ILE A 106 -12.139 6.145 3.519 1.00 15.53 H new ATOM 0 HG22 ILE A 106 -12.292 4.881 4.762 1.00 15.53 H new ATOM 0 HG23 ILE A 106 -13.750 5.571 4.011 1.00 15.53 H new ATOM 0 HD11 ILE A 106 -12.947 9.796 3.458 1.00 74.44 H new ATOM 0 HD12 ILE A 106 -11.484 9.067 4.163 1.00 74.44 H new ATOM 0 HD13 ILE A 106 -12.422 8.176 2.941 1.00 74.44 H new ATOM 1741 N LEU A 107 -12.110 4.945 7.926 1.00 23.30 N ATOM 1742 CA LEU A 107 -11.613 3.691 8.528 1.00 73.54 C ATOM 1743 C LEU A 107 -12.608 3.154 9.597 1.00 44.22 C ATOM 1744 O LEU A 107 -12.863 1.949 9.668 1.00 14.33 O ATOM 1745 CB LEU A 107 -10.179 3.927 9.107 1.00 44.15 C ATOM 1746 CG LEU A 107 -9.319 2.657 9.468 1.00 64.25 C ATOM 1747 CD1 LEU A 107 -7.816 3.003 9.554 1.00 33.03 C ATOM 1748 CD2 LEU A 107 -9.775 1.987 10.781 1.00 14.00 C ATOM 0 H LEU A 107 -11.526 5.756 8.129 1.00 23.30 H new ATOM 0 HA LEU A 107 -11.543 2.919 7.762 1.00 73.54 H new ATOM 0 HB2 LEU A 107 -9.618 4.518 8.383 1.00 44.15 H new ATOM 0 HB3 LEU A 107 -10.276 4.534 10.007 1.00 44.15 H new ATOM 0 HG LEU A 107 -9.476 1.945 8.658 1.00 64.25 H new ATOM 0 HD11 LEU A 107 -7.250 2.106 9.805 1.00 33.03 H new ATOM 0 HD12 LEU A 107 -7.476 3.390 8.593 1.00 33.03 H new ATOM 0 HD13 LEU A 107 -7.660 3.758 10.325 1.00 33.03 H new ATOM 0 HD21 LEU A 107 -9.149 1.118 10.982 1.00 14.00 H new ATOM 0 HD22 LEU A 107 -9.684 2.697 11.603 1.00 14.00 H new ATOM 0 HD23 LEU A 107 -10.814 1.672 10.687 1.00 14.00 H new ATOM 1760 N ALA A 108 -13.171 4.059 10.414 1.00 23.23 N ATOM 1761 CA ALA A 108 -14.123 3.687 11.488 1.00 31.34 C ATOM 1762 C ALA A 108 -15.458 3.137 10.918 1.00 35.33 C ATOM 1763 O ALA A 108 -16.042 2.196 11.464 1.00 14.33 O ATOM 1764 CB ALA A 108 -14.384 4.895 12.398 1.00 41.34 C ATOM 0 H ALA A 108 -12.986 5.060 10.355 1.00 23.23 H new ATOM 0 HA ALA A 108 -13.669 2.886 12.072 1.00 31.34 H new ATOM 0 HB1 ALA A 108 -15.084 4.614 13.184 1.00 41.34 H new ATOM 0 HB2 ALA A 108 -13.446 5.222 12.847 1.00 41.34 H new ATOM 0 HB3 ALA A 108 -14.807 5.709 11.810 1.00 41.34 H new ATOM 1770 N THR A 109 -15.920 3.746 9.815 1.00 52.11 N ATOM 1771 CA THR A 109 -17.177 3.369 9.133 1.00 63.21 C ATOM 1772 C THR A 109 -16.990 2.148 8.198 1.00 12.01 C ATOM 1773 O THR A 109 -17.488 1.056 8.485 1.00 50.43 O ATOM 1774 CB THR A 109 -17.753 4.576 8.310 1.00 61.13 C ATOM 1775 OG1 THR A 109 -16.748 5.080 7.410 1.00 61.22 O ATOM 1776 CG2 THR A 109 -18.240 5.715 9.222 1.00 60.53 C ATOM 0 H THR A 109 -15.431 4.520 9.365 1.00 52.11 H new ATOM 0 HA THR A 109 -17.885 3.093 9.914 1.00 63.21 H new ATOM 0 HB THR A 109 -18.610 4.207 7.746 1.00 61.13 H new ATOM 0 HG1 THR A 109 -16.121 5.649 7.905 1.00 61.22 H new ATOM 0 HG21 THR A 109 -18.630 6.529 8.611 1.00 60.53 H new ATOM 0 HG22 THR A 109 -19.027 5.344 9.878 1.00 60.53 H new ATOM 0 HG23 THR A 109 -17.408 6.080 9.824 1.00 60.53 H new ATOM 1784 N GLN A 110 -16.257 2.350 7.090 1.00 44.41 N ATOM 1785 CA GLN A 110 -16.120 1.362 5.998 1.00 22.53 C ATOM 1786 C GLN A 110 -15.019 0.321 6.298 1.00 4.25 C ATOM 1787 O GLN A 110 -15.148 -0.847 5.925 1.00 72.54 O ATOM 1788 CB GLN A 110 -15.818 2.110 4.670 1.00 22.44 C ATOM 1789 CG GLN A 110 -16.915 3.111 4.238 1.00 14.15 C ATOM 1790 CD GLN A 110 -16.514 3.960 3.025 1.00 21.45 C ATOM 1791 OE1 GLN A 110 -16.726 3.580 1.875 1.00 5.30 O ATOM 1792 NE2 GLN A 110 -15.939 5.120 3.276 1.00 24.34 N ATOM 0 H GLN A 110 -15.737 3.211 6.922 1.00 44.41 H new ATOM 0 HA GLN A 110 -17.058 0.814 5.908 1.00 22.53 H new ATOM 0 HB2 GLN A 110 -14.875 2.646 4.775 1.00 22.44 H new ATOM 0 HB3 GLN A 110 -15.680 1.376 3.876 1.00 22.44 H new ATOM 0 HG2 GLN A 110 -17.827 2.562 4.004 1.00 14.15 H new ATOM 0 HG3 GLN A 110 -17.146 3.770 5.075 1.00 14.15 H new ATOM 0 HE21 GLN A 110 -15.775 5.410 4.240 1.00 24.34 H new ATOM 0 HE22 GLN A 110 -15.658 5.727 2.506 1.00 24.34 H new ATOM 1801 N GLY A 111 -13.933 0.757 6.963 1.00 0.41 N ATOM 1802 CA GLY A 111 -12.834 -0.144 7.347 1.00 44.43 C ATOM 1803 C GLY A 111 -11.486 0.249 6.747 1.00 11.33 C ATOM 1804 O GLY A 111 -11.358 1.289 6.087 1.00 2.31 O ATOM 0 H GLY A 111 -13.795 1.727 7.245 1.00 0.41 H new ATOM 0 HA2 GLY A 111 -12.749 -0.158 8.434 1.00 44.43 H new ATOM 0 HA3 GLY A 111 -13.080 -1.159 7.034 1.00 44.43 H new ATOM 1808 N ILE A 112 -10.493 -0.635 6.943 1.00 23.53 N ATOM 1809 CA ILE A 112 -9.091 -0.393 6.538 1.00 71.01 C ATOM 1810 C ILE A 112 -8.918 -0.382 4.992 1.00 30.32 C ATOM 1811 O ILE A 112 -8.167 0.426 4.465 1.00 73.41 O ATOM 1812 CB ILE A 112 -8.125 -1.465 7.174 1.00 0.45 C ATOM 1813 CG1 ILE A 112 -6.626 -1.191 6.778 1.00 0.13 C ATOM 1814 CG2 ILE A 112 -8.567 -2.907 6.804 1.00 63.02 C ATOM 1815 CD1 ILE A 112 -6.019 0.059 7.388 1.00 3.33 C ATOM 0 H ILE A 112 -10.637 -1.541 7.388 1.00 23.53 H new ATOM 0 HA ILE A 112 -8.826 0.596 6.912 1.00 71.01 H new ATOM 0 HB ILE A 112 -8.192 -1.374 8.258 1.00 0.45 H new ATOM 0 HG12 ILE A 112 -6.025 -2.050 7.075 1.00 0.13 H new ATOM 0 HG13 ILE A 112 -6.561 -1.116 5.693 1.00 0.13 H new ATOM 0 HG21 ILE A 112 -7.883 -3.625 7.256 1.00 63.02 H new ATOM 0 HG22 ILE A 112 -9.576 -3.085 7.175 1.00 63.02 H new ATOM 0 HG23 ILE A 112 -8.553 -3.025 5.721 1.00 63.02 H new ATOM 0 HD11 ILE A 112 -4.986 0.161 7.056 1.00 3.33 H new ATOM 0 HD12 ILE A 112 -6.590 0.932 7.072 1.00 3.33 H new ATOM 0 HD13 ILE A 112 -6.045 -0.017 8.475 1.00 3.33 H new ATOM 1827 N ARG A 113 -9.640 -1.269 4.284 1.00 11.21 N ATOM 1828 CA ARG A 113 -9.507 -1.442 2.812 1.00 13.33 C ATOM 1829 C ARG A 113 -9.919 -0.156 2.051 1.00 3.05 C ATOM 1830 O ARG A 113 -9.228 0.282 1.124 1.00 33.43 O ATOM 1831 CB ARG A 113 -10.372 -2.638 2.350 1.00 63.11 C ATOM 1832 CG ARG A 113 -10.042 -3.981 3.044 1.00 53.12 C ATOM 1833 CD ARG A 113 -11.052 -5.087 2.688 1.00 51.41 C ATOM 1834 NE ARG A 113 -12.435 -4.712 3.057 1.00 2.21 N ATOM 1835 CZ ARG A 113 -13.459 -5.533 3.140 1.00 33.32 C ATOM 1836 NH1 ARG A 113 -13.329 -6.801 2.901 1.00 4.21 N ATOM 1837 NH2 ARG A 113 -14.623 -5.068 3.461 1.00 4.54 N ATOM 0 H ARG A 113 -10.332 -1.888 4.707 1.00 11.21 H new ATOM 0 HA ARG A 113 -8.460 -1.640 2.583 1.00 13.33 H new ATOM 0 HB2 ARG A 113 -11.421 -2.401 2.528 1.00 63.11 H new ATOM 0 HB3 ARG A 113 -10.252 -2.762 1.274 1.00 63.11 H new ATOM 0 HG2 ARG A 113 -9.041 -4.300 2.755 1.00 53.12 H new ATOM 0 HG3 ARG A 113 -10.031 -3.836 4.124 1.00 53.12 H new ATOM 0 HD2 ARG A 113 -11.005 -5.291 1.618 1.00 51.41 H new ATOM 0 HD3 ARG A 113 -10.777 -6.009 3.201 1.00 51.41 H new ATOM 0 HE ARG A 113 -12.610 -3.729 3.266 1.00 2.21 H new ATOM 0 HH11 ARG A 113 -12.418 -7.180 2.642 1.00 4.21 H new ATOM 0 HH12 ARG A 113 -14.138 -7.419 2.972 1.00 4.21 H new ATOM 0 HH21 ARG A 113 -14.741 -4.072 3.647 1.00 4.54 H new ATOM 0 HH22 ARG A 113 -15.423 -5.697 3.528 1.00 4.54 H new ATOM 1851 N ALA A 114 -11.031 0.457 2.499 1.00 51.23 N ATOM 1852 CA ALA A 114 -11.552 1.716 1.916 1.00 0.11 C ATOM 1853 C ALA A 114 -10.653 2.910 2.307 1.00 63.02 C ATOM 1854 O ALA A 114 -10.506 3.867 1.541 1.00 4.44 O ATOM 1855 CB ALA A 114 -12.999 1.951 2.369 1.00 5.24 C ATOM 0 H ALA A 114 -11.594 0.099 3.271 1.00 51.23 H new ATOM 0 HA ALA A 114 -11.541 1.628 0.830 1.00 0.11 H new ATOM 0 HB1 ALA A 114 -13.370 2.879 1.934 1.00 5.24 H new ATOM 0 HB2 ALA A 114 -13.623 1.120 2.039 1.00 5.24 H new ATOM 0 HB3 ALA A 114 -13.033 2.021 3.456 1.00 5.24 H new ATOM 1861 N PHE A 115 -10.070 2.828 3.517 1.00 33.42 N ATOM 1862 CA PHE A 115 -9.084 3.799 4.028 1.00 42.51 C ATOM 1863 C PHE A 115 -7.794 3.850 3.150 1.00 45.02 C ATOM 1864 O PHE A 115 -7.359 4.935 2.753 1.00 75.11 O ATOM 1865 CB PHE A 115 -8.745 3.444 5.504 1.00 13.31 C ATOM 1866 CG PHE A 115 -7.467 4.088 6.032 1.00 65.03 C ATOM 1867 CD1 PHE A 115 -7.426 5.435 6.377 1.00 31.53 C ATOM 1868 CD2 PHE A 115 -6.297 3.338 6.162 1.00 73.13 C ATOM 1869 CE1 PHE A 115 -6.260 6.001 6.835 1.00 24.24 C ATOM 1870 CE2 PHE A 115 -5.139 3.902 6.622 1.00 53.11 C ATOM 1871 CZ PHE A 115 -5.118 5.237 6.960 1.00 51.23 C ATOM 0 H PHE A 115 -10.273 2.076 4.176 1.00 33.42 H new ATOM 0 HA PHE A 115 -9.523 4.796 3.981 1.00 42.51 H new ATOM 0 HB2 PHE A 115 -9.578 3.747 6.138 1.00 13.31 H new ATOM 0 HB3 PHE A 115 -8.655 2.361 5.592 1.00 13.31 H new ATOM 0 HD1 PHE A 115 -8.316 6.040 6.284 1.00 31.53 H new ATOM 0 HD2 PHE A 115 -6.306 2.292 5.894 1.00 73.13 H new ATOM 0 HE1 PHE A 115 -6.238 7.048 7.098 1.00 24.24 H new ATOM 0 HE2 PHE A 115 -4.245 3.303 6.720 1.00 53.11 H new ATOM 0 HZ PHE A 115 -4.206 5.687 7.324 1.00 51.23 H new ATOM 1881 N ILE A 116 -7.187 2.669 2.895 1.00 74.13 N ATOM 1882 CA ILE A 116 -5.949 2.532 2.080 1.00 35.00 C ATOM 1883 C ILE A 116 -6.151 3.153 0.688 1.00 25.31 C ATOM 1884 O ILE A 116 -5.357 3.994 0.250 1.00 15.42 O ATOM 1885 CB ILE A 116 -5.517 1.019 1.932 1.00 33.23 C ATOM 1886 CG1 ILE A 116 -5.163 0.393 3.322 1.00 23.21 C ATOM 1887 CG2 ILE A 116 -4.348 0.840 0.923 1.00 52.35 C ATOM 1888 CD1 ILE A 116 -3.992 1.043 4.047 1.00 31.23 C ATOM 0 H ILE A 116 -7.539 1.779 3.248 1.00 74.13 H new ATOM 0 HA ILE A 116 -5.153 3.064 2.601 1.00 35.00 H new ATOM 0 HB ILE A 116 -6.374 0.481 1.527 1.00 33.23 H new ATOM 0 HG12 ILE A 116 -6.043 0.450 3.963 1.00 23.21 H new ATOM 0 HG13 ILE A 116 -4.940 -0.664 3.180 1.00 23.21 H new ATOM 0 HG21 ILE A 116 -4.085 -0.216 0.854 1.00 52.35 H new ATOM 0 HG22 ILE A 116 -4.655 1.202 -0.058 1.00 52.35 H new ATOM 0 HG23 ILE A 116 -3.482 1.408 1.264 1.00 52.35 H new ATOM 0 HD11 ILE A 116 -3.827 0.538 4.999 1.00 31.23 H new ATOM 0 HD12 ILE A 116 -3.095 0.963 3.434 1.00 31.23 H new ATOM 0 HD13 ILE A 116 -4.215 2.094 4.228 1.00 31.23 H new ATOM 1900 N ASN A 117 -7.238 2.732 0.027 1.00 1.25 N ATOM 1901 CA ASN A 117 -7.695 3.321 -1.243 1.00 25.41 C ATOM 1902 C ASN A 117 -7.835 4.870 -1.147 1.00 45.55 C ATOM 1903 O ASN A 117 -7.283 5.593 -1.978 1.00 22.22 O ATOM 1904 CB ASN A 117 -9.033 2.654 -1.644 1.00 75.43 C ATOM 1905 CG ASN A 117 -9.636 3.192 -2.943 1.00 4.15 C ATOM 1906 OD1 ASN A 117 -10.486 4.072 -2.925 1.00 3.32 O ATOM 1907 ND2 ASN A 117 -9.178 2.702 -4.080 1.00 5.13 N ATOM 0 H ASN A 117 -7.829 1.970 0.358 1.00 1.25 H new ATOM 0 HA ASN A 117 -6.948 3.132 -2.014 1.00 25.41 H new ATOM 0 HB2 ASN A 117 -8.875 1.581 -1.747 1.00 75.43 H new ATOM 0 HB3 ASN A 117 -9.752 2.794 -0.837 1.00 75.43 H new ATOM 0 HD21 ASN A 117 -9.533 3.057 -4.968 1.00 5.13 H new ATOM 0 HD22 ASN A 117 -8.469 1.969 -4.071 1.00 5.13 H new ATOM 1914 N ALA A 118 -8.520 5.356 -0.087 1.00 54.21 N ATOM 1915 CA ALA A 118 -8.776 6.810 0.141 1.00 30.01 C ATOM 1916 C ALA A 118 -7.468 7.649 0.206 1.00 22.41 C ATOM 1917 O ALA A 118 -7.454 8.812 -0.212 1.00 61.14 O ATOM 1918 CB ALA A 118 -9.602 7.014 1.422 1.00 21.55 C ATOM 0 H ALA A 118 -8.914 4.757 0.639 1.00 54.21 H new ATOM 0 HA ALA A 118 -9.342 7.169 -0.719 1.00 30.01 H new ATOM 0 HB1 ALA A 118 -9.780 8.078 1.574 1.00 21.55 H new ATOM 0 HB2 ALA A 118 -10.556 6.496 1.326 1.00 21.55 H new ATOM 0 HB3 ALA A 118 -9.056 6.612 2.275 1.00 21.55 H new ATOM 1924 N LEU A 119 -6.383 7.048 0.746 1.00 21.04 N ATOM 1925 CA LEU A 119 -5.034 7.668 0.731 1.00 5.53 C ATOM 1926 C LEU A 119 -4.497 7.770 -0.720 1.00 2.54 C ATOM 1927 O LEU A 119 -4.140 8.851 -1.192 1.00 35.34 O ATOM 1928 CB LEU A 119 -4.018 6.855 1.598 1.00 22.13 C ATOM 1929 CG LEU A 119 -4.424 6.553 3.074 1.00 43.33 C ATOM 1930 CD1 LEU A 119 -3.302 5.780 3.810 1.00 5.05 C ATOM 1931 CD2 LEU A 119 -4.812 7.843 3.832 1.00 53.40 C ATOM 0 H LEU A 119 -6.413 6.134 1.198 1.00 21.04 H new ATOM 0 HA LEU A 119 -5.134 8.667 1.156 1.00 5.53 H new ATOM 0 HB2 LEU A 119 -3.831 5.905 1.098 1.00 22.13 H new ATOM 0 HB3 LEU A 119 -3.074 7.399 1.612 1.00 22.13 H new ATOM 0 HG LEU A 119 -5.308 5.916 3.050 1.00 43.33 H new ATOM 0 HD11 LEU A 119 -3.610 5.582 4.837 1.00 5.05 H new ATOM 0 HD12 LEU A 119 -3.115 4.836 3.299 1.00 5.05 H new ATOM 0 HD13 LEU A 119 -2.390 6.378 3.813 1.00 5.05 H new ATOM 0 HD21 LEU A 119 -5.089 7.594 4.856 1.00 53.40 H new ATOM 0 HD22 LEU A 119 -3.964 8.528 3.842 1.00 53.40 H new ATOM 0 HD23 LEU A 119 -5.657 8.318 3.333 1.00 53.40 H new ATOM 1943 N VAL A 120 -4.501 6.620 -1.421 1.00 73.44 N ATOM 1944 CA VAL A 120 -3.872 6.465 -2.755 1.00 61.23 C ATOM 1945 C VAL A 120 -4.629 7.259 -3.874 1.00 52.34 C ATOM 1946 O VAL A 120 -4.054 7.577 -4.917 1.00 15.44 O ATOM 1947 CB VAL A 120 -3.732 4.927 -3.112 1.00 35.40 C ATOM 1948 CG1 VAL A 120 -2.969 4.694 -4.431 1.00 11.23 C ATOM 1949 CG2 VAL A 120 -3.031 4.158 -1.969 1.00 4.32 C ATOM 0 H VAL A 120 -4.942 5.766 -1.080 1.00 73.44 H new ATOM 0 HA VAL A 120 -2.875 6.902 -2.707 1.00 61.23 H new ATOM 0 HB VAL A 120 -4.746 4.548 -3.241 1.00 35.40 H new ATOM 0 HG11 VAL A 120 -2.902 3.624 -4.628 1.00 11.23 H new ATOM 0 HG12 VAL A 120 -3.500 5.181 -5.249 1.00 11.23 H new ATOM 0 HG13 VAL A 120 -1.966 5.112 -4.350 1.00 11.23 H new ATOM 0 HG21 VAL A 120 -2.947 3.105 -2.237 1.00 4.32 H new ATOM 0 HG22 VAL A 120 -2.036 4.573 -1.808 1.00 4.32 H new ATOM 0 HG23 VAL A 120 -3.616 4.254 -1.054 1.00 4.32 H new ATOM 1959 N ASN A 121 -5.903 7.642 -3.622 1.00 61.41 N ATOM 1960 CA ASN A 121 -6.694 8.507 -4.555 1.00 42.00 C ATOM 1961 C ASN A 121 -6.341 10.025 -4.419 1.00 61.14 C ATOM 1962 O ASN A 121 -7.072 10.881 -4.932 1.00 44.21 O ATOM 1963 CB ASN A 121 -8.227 8.282 -4.357 1.00 73.31 C ATOM 1964 CG ASN A 121 -8.748 7.021 -5.057 1.00 30.12 C ATOM 1965 OD1 ASN A 121 -9.091 7.044 -6.234 1.00 71.33 O ATOM 1966 ND2 ASN A 121 -8.827 5.922 -4.349 1.00 13.43 N ATOM 0 H ASN A 121 -6.413 7.370 -2.782 1.00 61.41 H new ATOM 0 HA ASN A 121 -6.419 8.206 -5.566 1.00 42.00 H new ATOM 0 HB2 ASN A 121 -8.443 8.213 -3.291 1.00 73.31 H new ATOM 0 HB3 ASN A 121 -8.767 9.150 -4.736 1.00 73.31 H new ATOM 0 HD21 ASN A 121 -9.179 5.065 -4.775 1.00 13.43 H new ATOM 0 HD22 ASN A 121 -8.537 5.923 -3.371 1.00 13.43 H new ATOM 1973 N SER A 122 -5.224 10.347 -3.734 1.00 73.05 N ATOM 1974 CA SER A 122 -4.683 11.730 -3.657 1.00 23.20 C ATOM 1975 C SER A 122 -3.945 12.104 -4.964 1.00 72.14 C ATOM 1976 O SER A 122 -3.202 11.280 -5.526 1.00 73.25 O ATOM 1977 CB SER A 122 -3.726 11.863 -2.452 1.00 23.44 C ATOM 1978 OG SER A 122 -2.584 11.042 -2.610 1.00 23.41 O ATOM 0 H SER A 122 -4.670 9.663 -3.219 1.00 73.05 H new ATOM 0 HA SER A 122 -5.519 12.417 -3.524 1.00 23.20 H new ATOM 0 HB2 SER A 122 -3.417 12.903 -2.343 1.00 23.44 H new ATOM 0 HB3 SER A 122 -4.250 11.589 -1.536 1.00 23.44 H new ATOM 0 HG SER A 122 -1.789 11.523 -2.298 1.00 23.41 H new ATOM 1984 N GLN A 123 -4.179 13.334 -5.465 1.00 62.45 N ATOM 1985 CA GLN A 123 -3.559 13.810 -6.718 1.00 11.42 C ATOM 1986 C GLN A 123 -2.036 14.026 -6.585 1.00 42.21 C ATOM 1987 O GLN A 123 -1.290 13.677 -7.504 1.00 72.51 O ATOM 1988 CB GLN A 123 -4.241 15.099 -7.239 1.00 63.11 C ATOM 1989 CG GLN A 123 -3.826 15.480 -8.683 1.00 15.22 C ATOM 1990 CD GLN A 123 -4.435 16.784 -9.201 1.00 0.33 C ATOM 1991 OE1 GLN A 123 -5.531 17.181 -8.818 1.00 11.13 O ATOM 1992 NE2 GLN A 123 -3.729 17.454 -10.091 1.00 21.44 N ATOM 0 H GLN A 123 -4.793 14.016 -5.020 1.00 62.45 H new ATOM 0 HA GLN A 123 -3.713 13.016 -7.449 1.00 11.42 H new ATOM 0 HB2 GLN A 123 -5.322 14.968 -7.203 1.00 63.11 H new ATOM 0 HB3 GLN A 123 -3.998 15.925 -6.570 1.00 63.11 H new ATOM 0 HG2 GLN A 123 -2.740 15.561 -8.725 1.00 15.22 H new ATOM 0 HG3 GLN A 123 -4.112 14.670 -9.354 1.00 15.22 H new ATOM 0 HE21 GLN A 123 -2.821 17.101 -10.392 1.00 21.44 H new ATOM 0 HE22 GLN A 123 -4.091 18.325 -10.478 1.00 21.44 H new ATOM 2001 N GLU A 124 -1.585 14.572 -5.432 1.00 72.02 N ATOM 2002 CA GLU A 124 -0.142 14.858 -5.181 1.00 14.54 C ATOM 2003 C GLU A 124 0.759 13.609 -5.397 1.00 54.01 C ATOM 2004 O GLU A 124 1.921 13.741 -5.797 1.00 10.25 O ATOM 2005 CB GLU A 124 0.095 15.449 -3.762 1.00 34.40 C ATOM 2006 CG GLU A 124 -0.459 14.600 -2.581 1.00 74.10 C ATOM 2007 CD GLU A 124 -1.769 15.158 -1.997 1.00 51.13 C ATOM 2008 OE1 GLU A 124 -2.812 15.098 -2.686 1.00 50.14 O ATOM 2009 OE2 GLU A 124 -1.751 15.709 -0.870 1.00 42.43 O ATOM 0 H GLU A 124 -2.196 14.826 -4.656 1.00 72.02 H new ATOM 0 HA GLU A 124 0.145 15.607 -5.919 1.00 14.54 H new ATOM 0 HB2 GLU A 124 1.167 15.584 -3.618 1.00 34.40 H new ATOM 0 HB3 GLU A 124 -0.359 16.439 -3.719 1.00 34.40 H new ATOM 0 HG2 GLU A 124 -0.627 13.579 -2.923 1.00 74.10 H new ATOM 0 HG3 GLU A 124 0.292 14.552 -1.792 1.00 74.10 H new ATOM 2016 N TYR A 125 0.200 12.405 -5.134 1.00 61.11 N ATOM 2017 CA TYR A 125 0.871 11.118 -5.432 1.00 3.55 C ATOM 2018 C TYR A 125 1.184 11.006 -6.946 1.00 61.44 C ATOM 2019 O TYR A 125 2.341 10.814 -7.338 1.00 11.11 O ATOM 2020 CB TYR A 125 -0.029 9.921 -4.983 1.00 60.55 C ATOM 2021 CG TYR A 125 0.569 8.502 -5.212 1.00 31.11 C ATOM 2022 CD1 TYR A 125 0.669 7.942 -6.495 1.00 51.31 C ATOM 2023 CD2 TYR A 125 1.029 7.722 -4.150 1.00 20.00 C ATOM 2024 CE1 TYR A 125 1.195 6.688 -6.700 1.00 24.32 C ATOM 2025 CE2 TYR A 125 1.548 6.456 -4.357 1.00 33.22 C ATOM 2026 CZ TYR A 125 1.631 5.946 -5.634 1.00 21.22 C ATOM 2027 OH TYR A 125 2.137 4.678 -5.844 1.00 33.12 O ATOM 0 H TYR A 125 -0.723 12.298 -4.712 1.00 61.11 H new ATOM 0 HA TYR A 125 1.809 11.083 -4.878 1.00 3.55 H new ATOM 0 HB2 TYR A 125 -0.250 10.035 -3.922 1.00 60.55 H new ATOM 0 HB3 TYR A 125 -0.978 9.985 -5.515 1.00 60.55 H new ATOM 0 HD1 TYR A 125 0.323 8.512 -7.345 1.00 51.31 H new ATOM 0 HD2 TYR A 125 0.979 8.115 -3.145 1.00 20.00 H new ATOM 0 HE1 TYR A 125 1.264 6.288 -7.701 1.00 24.32 H new ATOM 0 HE2 TYR A 125 1.888 5.868 -3.517 1.00 33.22 H new ATOM 0 HH TYR A 125 2.554 4.635 -6.730 1.00 33.12 H new ATOM 2037 N ASN A 126 0.134 11.132 -7.789 1.00 41.41 N ATOM 2038 CA ASN A 126 0.265 10.900 -9.246 1.00 12.12 C ATOM 2039 C ASN A 126 1.010 12.056 -9.951 1.00 4.41 C ATOM 2040 O ASN A 126 1.525 11.867 -11.060 1.00 73.33 O ATOM 2041 CB ASN A 126 -1.103 10.608 -9.924 1.00 43.53 C ATOM 2042 CG ASN A 126 -2.041 11.806 -10.034 1.00 34.13 C ATOM 2043 OD1 ASN A 126 -1.964 12.592 -10.965 1.00 23.53 O ATOM 2044 ND2 ASN A 126 -2.948 11.939 -9.111 1.00 31.33 N ATOM 0 H ASN A 126 -0.806 11.391 -7.489 1.00 41.41 H new ATOM 0 HA ASN A 126 0.874 10.003 -9.360 1.00 12.12 H new ATOM 0 HB2 ASN A 126 -0.919 10.218 -10.925 1.00 43.53 H new ATOM 0 HB3 ASN A 126 -1.608 9.821 -9.363 1.00 43.53 H new ATOM 0 HD21 ASN A 126 -3.613 12.711 -9.157 1.00 31.33 H new ATOM 0 HD22 ASN A 126 -2.995 11.271 -8.342 1.00 31.33 H new ATOM 2051 N GLU A 127 1.051 13.250 -9.320 1.00 62.15 N ATOM 2052 CA GLU A 127 1.868 14.374 -9.802 1.00 11.42 C ATOM 2053 C GLU A 127 3.379 14.065 -9.667 1.00 34.11 C ATOM 2054 O GLU A 127 4.121 14.062 -10.654 1.00 5.24 O ATOM 2055 CB GLU A 127 1.539 15.667 -8.996 1.00 61.44 C ATOM 2056 CG GLU A 127 0.067 16.123 -9.030 1.00 61.15 C ATOM 2057 CD GLU A 127 -0.419 16.563 -10.420 1.00 64.52 C ATOM 2058 OE1 GLU A 127 -0.054 17.673 -10.858 1.00 1.50 O ATOM 2059 OE2 GLU A 127 -1.163 15.804 -11.080 1.00 63.04 O ATOM 0 H GLU A 127 0.523 13.456 -8.472 1.00 62.15 H new ATOM 0 HA GLU A 127 1.631 14.526 -10.855 1.00 11.42 H new ATOM 0 HB2 GLU A 127 1.826 15.507 -7.957 1.00 61.44 H new ATOM 0 HB3 GLU A 127 2.160 16.478 -9.377 1.00 61.44 H new ATOM 0 HG2 GLU A 127 -0.564 15.307 -8.677 1.00 61.15 H new ATOM 0 HG3 GLU A 127 -0.063 16.950 -8.332 1.00 61.15 H new ATOM 2066 N VAL A 128 3.810 13.802 -8.418 1.00 51.02 N ATOM 2067 CA VAL A 128 5.233 13.596 -8.076 1.00 61.04 C ATOM 2068 C VAL A 128 5.756 12.236 -8.607 1.00 35.21 C ATOM 2069 O VAL A 128 6.681 12.191 -9.424 1.00 55.21 O ATOM 2070 CB VAL A 128 5.455 13.694 -6.517 1.00 15.01 C ATOM 2071 CG1 VAL A 128 6.934 13.426 -6.129 1.00 11.20 C ATOM 2072 CG2 VAL A 128 4.976 15.069 -5.975 1.00 41.24 C ATOM 0 H VAL A 128 3.183 13.726 -7.617 1.00 51.02 H new ATOM 0 HA VAL A 128 5.802 14.389 -8.562 1.00 61.04 H new ATOM 0 HB VAL A 128 4.852 12.915 -6.051 1.00 15.01 H new ATOM 0 HG11 VAL A 128 7.046 13.503 -5.047 1.00 11.20 H new ATOM 0 HG12 VAL A 128 7.220 12.425 -6.453 1.00 11.20 H new ATOM 0 HG13 VAL A 128 7.576 14.162 -6.613 1.00 11.20 H new ATOM 0 HG21 VAL A 128 5.139 15.113 -4.898 1.00 41.24 H new ATOM 0 HG22 VAL A 128 5.538 15.867 -6.460 1.00 41.24 H new ATOM 0 HG23 VAL A 128 3.914 15.193 -6.186 1.00 41.24 H new ATOM 2082 N PHE A 129 5.146 11.136 -8.132 1.00 3.42 N ATOM 2083 CA PHE A 129 5.584 9.760 -8.466 1.00 21.43 C ATOM 2084 C PHE A 129 4.967 9.308 -9.805 1.00 24.24 C ATOM 2085 O PHE A 129 5.677 9.065 -10.783 1.00 23.31 O ATOM 2086 CB PHE A 129 5.189 8.763 -7.334 1.00 61.42 C ATOM 2087 CG PHE A 129 5.462 9.291 -5.928 1.00 34.41 C ATOM 2088 CD1 PHE A 129 6.755 9.621 -5.520 1.00 33.42 C ATOM 2089 CD2 PHE A 129 4.420 9.479 -5.024 1.00 34.14 C ATOM 2090 CE1 PHE A 129 6.989 10.115 -4.250 1.00 41.33 C ATOM 2091 CE2 PHE A 129 4.658 9.973 -3.764 1.00 3.01 C ATOM 2092 CZ PHE A 129 5.943 10.290 -3.374 1.00 50.02 C ATOM 0 H PHE A 129 4.339 11.170 -7.509 1.00 3.42 H new ATOM 0 HA PHE A 129 6.670 9.765 -8.561 1.00 21.43 H new ATOM 0 HB2 PHE A 129 4.129 8.526 -7.424 1.00 61.42 H new ATOM 0 HB3 PHE A 129 5.737 7.831 -7.475 1.00 61.42 H new ATOM 0 HD1 PHE A 129 7.581 9.489 -6.203 1.00 33.42 H new ATOM 0 HD2 PHE A 129 3.410 9.233 -5.317 1.00 34.14 H new ATOM 0 HE1 PHE A 129 7.995 10.364 -3.945 1.00 41.33 H new ATOM 0 HE2 PHE A 129 3.837 10.114 -3.077 1.00 3.01 H new ATOM 0 HZ PHE A 129 6.127 10.675 -2.382 1.00 50.02 H new ATOM 2102 N GLY A 130 3.625 9.231 -9.830 1.00 42.43 N ATOM 2103 CA GLY A 130 2.881 8.696 -10.980 1.00 54.23 C ATOM 2104 C GLY A 130 2.387 7.267 -10.749 1.00 31.14 C ATOM 2105 O GLY A 130 2.723 6.640 -9.737 1.00 51.41 O ATOM 0 H GLY A 130 3.031 9.536 -9.059 1.00 42.43 H new ATOM 0 HA2 GLY A 130 2.028 9.342 -11.188 1.00 54.23 H new ATOM 0 HA3 GLY A 130 3.520 8.717 -11.863 1.00 54.23 H new ATOM 2109 N GLU A 131 1.585 6.757 -11.695 1.00 11.12 N ATOM 2110 CA GLU A 131 1.011 5.391 -11.614 1.00 41.10 C ATOM 2111 C GLU A 131 2.051 4.311 -12.005 1.00 51.11 C ATOM 2112 O GLU A 131 2.057 3.215 -11.450 1.00 32.50 O ATOM 2113 CB GLU A 131 -0.271 5.262 -12.506 1.00 64.50 C ATOM 2114 CG GLU A 131 -0.051 5.268 -14.046 1.00 75.33 C ATOM 2115 CD GLU A 131 0.474 6.603 -14.608 1.00 23.25 C ATOM 2116 OE1 GLU A 131 -0.341 7.485 -14.932 1.00 21.14 O ATOM 2117 OE2 GLU A 131 1.709 6.794 -14.690 1.00 1.42 O ATOM 0 H GLU A 131 1.313 7.269 -12.534 1.00 11.12 H new ATOM 0 HA GLU A 131 0.727 5.224 -10.575 1.00 41.10 H new ATOM 0 HB2 GLU A 131 -0.781 4.336 -12.238 1.00 64.50 H new ATOM 0 HB3 GLU A 131 -0.945 6.081 -12.255 1.00 64.50 H new ATOM 0 HG2 GLU A 131 0.654 4.477 -14.303 1.00 75.33 H new ATOM 0 HG3 GLU A 131 -0.994 5.027 -14.537 1.00 75.33 H new ATOM 2124 N ASP A 132 2.935 4.646 -12.958 1.00 13.11 N ATOM 2125 CA ASP A 132 3.938 3.715 -13.522 1.00 51.05 C ATOM 2126 C ASP A 132 5.229 3.636 -12.651 1.00 21.25 C ATOM 2127 O ASP A 132 6.095 2.775 -12.869 1.00 40.45 O ATOM 2128 CB ASP A 132 4.263 4.178 -14.969 1.00 61.05 C ATOM 2129 CG ASP A 132 5.168 3.202 -15.731 1.00 53.42 C ATOM 2130 OD1 ASP A 132 4.707 2.082 -16.025 1.00 30.42 O ATOM 2131 OD2 ASP A 132 6.344 3.532 -16.014 1.00 11.44 O ATOM 0 H ASP A 132 2.978 5.580 -13.366 1.00 13.11 H new ATOM 0 HA ASP A 132 3.524 2.707 -13.531 1.00 51.05 H new ATOM 0 HB2 ASP A 132 3.331 4.304 -15.520 1.00 61.05 H new ATOM 0 HB3 ASP A 132 4.745 5.155 -14.931 1.00 61.05 H new ATOM 2136 N THR A 133 5.329 4.518 -11.646 1.00 73.23 N ATOM 2137 CA THR A 133 6.538 4.664 -10.810 1.00 10.44 C ATOM 2138 C THR A 133 6.272 4.221 -9.355 1.00 63.00 C ATOM 2139 O THR A 133 5.180 4.434 -8.817 1.00 31.45 O ATOM 2140 CB THR A 133 7.028 6.154 -10.825 1.00 54.22 C ATOM 2141 OG1 THR A 133 7.148 6.616 -12.184 1.00 24.52 O ATOM 2142 CG2 THR A 133 8.386 6.344 -10.124 1.00 30.34 C ATOM 0 H THR A 133 4.574 5.153 -11.386 1.00 73.23 H new ATOM 0 HA THR A 133 7.312 4.020 -11.228 1.00 10.44 H new ATOM 0 HB THR A 133 6.283 6.732 -10.278 1.00 54.22 H new ATOM 0 HG1 THR A 133 7.453 7.547 -12.187 1.00 24.52 H new ATOM 0 HG21 THR A 133 8.673 7.395 -10.166 1.00 30.34 H new ATOM 0 HG22 THR A 133 8.305 6.031 -9.083 1.00 30.34 H new ATOM 0 HG23 THR A 133 9.142 5.741 -10.626 1.00 30.34 H new ATOM 2150 N VAL A 134 7.297 3.602 -8.740 1.00 74.32 N ATOM 2151 CA VAL A 134 7.323 3.285 -7.295 1.00 71.13 C ATOM 2152 C VAL A 134 7.539 4.598 -6.485 1.00 71.12 C ATOM 2153 O VAL A 134 8.430 5.378 -6.845 1.00 3.34 O ATOM 2154 CB VAL A 134 8.477 2.249 -6.968 1.00 34.20 C ATOM 2155 CG1 VAL A 134 8.625 1.967 -5.449 1.00 52.23 C ATOM 2156 CG2 VAL A 134 8.272 0.933 -7.752 1.00 62.41 C ATOM 0 H VAL A 134 8.138 3.304 -9.234 1.00 74.32 H new ATOM 0 HA VAL A 134 6.372 2.833 -7.015 1.00 71.13 H new ATOM 0 HB VAL A 134 9.410 2.711 -7.291 1.00 34.20 H new ATOM 0 HG11 VAL A 134 9.431 1.251 -5.289 1.00 52.23 H new ATOM 0 HG12 VAL A 134 8.856 2.896 -4.927 1.00 52.23 H new ATOM 0 HG13 VAL A 134 7.692 1.556 -5.063 1.00 52.23 H new ATOM 0 HG21 VAL A 134 9.076 0.237 -7.512 1.00 62.41 H new ATOM 0 HG22 VAL A 134 7.315 0.491 -7.476 1.00 62.41 H new ATOM 0 HG23 VAL A 134 8.281 1.142 -8.822 1.00 62.41 H new ATOM 2166 N PRO A 135 6.693 4.880 -5.432 1.00 3.25 N ATOM 2167 CA PRO A 135 6.840 6.068 -4.539 1.00 11.10 C ATOM 2168 C PRO A 135 8.276 6.336 -4.003 1.00 65.12 C ATOM 2169 O PRO A 135 8.652 5.892 -2.904 1.00 5.33 O ATOM 2170 CB PRO A 135 5.865 5.765 -3.383 1.00 10.14 C ATOM 2171 CG PRO A 135 4.793 4.948 -4.020 1.00 31.25 C ATOM 2172 CD PRO A 135 5.479 4.097 -5.069 1.00 62.51 C ATOM 0 HA PRO A 135 6.626 6.982 -5.092 1.00 11.10 H new ATOM 0 HB2 PRO A 135 6.358 5.219 -2.578 1.00 10.14 H new ATOM 0 HB3 PRO A 135 5.464 6.681 -2.949 1.00 10.14 H new ATOM 0 HG2 PRO A 135 4.288 4.325 -3.282 1.00 31.25 H new ATOM 0 HG3 PRO A 135 4.033 5.586 -4.472 1.00 31.25 H new ATOM 0 HD2 PRO A 135 5.741 3.114 -4.677 1.00 62.51 H new ATOM 0 HD3 PRO A 135 4.836 3.934 -5.934 1.00 62.51 H new ATOM 2180 N TYR A 136 9.076 7.059 -4.813 1.00 44.03 N ATOM 2181 CA TYR A 136 10.404 7.548 -4.407 1.00 32.34 C ATOM 2182 C TYR A 136 10.230 8.816 -3.530 1.00 24.11 C ATOM 2183 O TYR A 136 10.190 9.948 -4.027 1.00 11.44 O ATOM 2184 CB TYR A 136 11.334 7.775 -5.655 1.00 1.44 C ATOM 2185 CG TYR A 136 10.870 8.835 -6.686 1.00 15.25 C ATOM 2186 CD1 TYR A 136 9.828 8.574 -7.582 1.00 3.34 C ATOM 2187 CD2 TYR A 136 11.476 10.099 -6.758 1.00 21.40 C ATOM 2188 CE1 TYR A 136 9.412 9.523 -8.498 1.00 63.41 C ATOM 2189 CE2 TYR A 136 11.060 11.048 -7.670 1.00 73.41 C ATOM 2190 CZ TYR A 136 10.026 10.757 -8.539 1.00 2.31 C ATOM 2191 OH TYR A 136 9.607 11.703 -9.453 1.00 33.14 O ATOM 0 H TYR A 136 8.818 7.319 -5.765 1.00 44.03 H new ATOM 0 HA TYR A 136 10.910 6.794 -3.804 1.00 32.34 H new ATOM 0 HB2 TYR A 136 12.322 8.060 -5.295 1.00 1.44 H new ATOM 0 HB3 TYR A 136 11.446 6.823 -6.173 1.00 1.44 H new ATOM 0 HD1 TYR A 136 9.338 7.612 -7.558 1.00 3.34 H new ATOM 0 HD2 TYR A 136 12.287 10.335 -6.084 1.00 21.40 H new ATOM 0 HE1 TYR A 136 8.606 9.298 -9.181 1.00 63.41 H new ATOM 0 HE2 TYR A 136 11.541 12.014 -7.704 1.00 73.41 H new ATOM 0 HH TYR A 136 8.633 11.800 -9.400 1.00 33.14 H new