USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=30 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 56 LYS NZ :NH3+ 142:sc= 0.507 (180deg=-1.6!) USER MOD Set 1.2: A 121 ASN : amide:sc= 0.573 K(o=1.1,f=-0.58) USER MOD Set 2.1: A 109 THR OG1 : rot -69:sc= 0.865 USER MOD Set 2.2: A 110 GLN :FLIP amide:sc= -0.513 F(o=-1.4,f=0.35) USER MOD Set 3.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 68 TYR OH : rot 35:sc= 1.33 USER MOD Set 4.2: A 88 HIS : no HD1:sc= 0.565 K(o=1.9,f=-6.5!) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0242) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= -0.494 (180deg=-2.43!) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= 0.0981 (180deg=-0.033) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 77:sc= 0.368 USER MOD Single : A 21 SER OG : rot 73:sc= 0.446 USER MOD Single : A 24 TYR OH : rot -46:sc= 1.07 USER MOD Single : A 26 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.034) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.8!) USER MOD Single : A 39 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.048) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 101:sc= 0.512 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0306) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 64 TYR OH : rot 65:sc= -0.373 USER MOD Single : A 65 SER OG : rot -123:sc= 0.985 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,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 USER MOD Single : A 74 THR OG1 : rot 57:sc= -0.361 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0625 K(o=-0.063,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= 0.293 (180deg=-0.203) USER MOD Single : A 86 THR OG1 : rot 79:sc= 0.293 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.0659 F(o=-0.63,f=-0.066) USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= 0.71 (180deg=0.599) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0695 X(o=-0.07,f=-0.43) USER MOD Single : A 117 ASN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 122 SER OG : rot 27:sc= 0.603 USER MOD Single : A 123 GLN : amide:sc= 0.299 K(o=0.3,f=-0.36) USER MOD Single : A 125 TYR OH : rot 64:sc= 0.218 USER MOD Single : A 126 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.7!) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 14.137 7.102 -9.791 1.00 23.34 N ATOM 43 CA VAL A 3 12.675 6.989 -9.987 1.00 44.21 C ATOM 44 C VAL A 3 12.314 5.530 -10.351 1.00 44.35 C ATOM 45 O VAL A 3 12.525 5.088 -11.492 1.00 53.03 O ATOM 46 CB VAL A 3 12.148 7.977 -11.103 1.00 24.11 C ATOM 47 CG1 VAL A 3 10.611 7.845 -11.298 1.00 43.44 C ATOM 48 CG2 VAL A 3 12.541 9.439 -10.774 1.00 14.03 C ATOM 0 HA VAL A 3 12.188 7.269 -9.053 1.00 44.21 H new ATOM 0 HB VAL A 3 12.624 7.700 -12.043 1.00 24.11 H new ATOM 0 HG11 VAL A 3 10.282 8.538 -12.072 1.00 43.44 H new ATOM 0 HG12 VAL A 3 10.368 6.825 -11.597 1.00 43.44 H new ATOM 0 HG13 VAL A 3 10.104 8.079 -10.362 1.00 43.44 H new ATOM 0 HG21 VAL A 3 12.168 10.101 -11.556 1.00 14.03 H new ATOM 0 HG22 VAL A 3 12.106 9.726 -9.817 1.00 14.03 H new ATOM 0 HG23 VAL A 3 13.627 9.520 -10.718 1.00 14.03 H new ATOM 58 N PHE A 4 11.804 4.781 -9.355 1.00 75.04 N ATOM 59 CA PHE A 4 11.356 3.388 -9.546 1.00 54.53 C ATOM 60 C PHE A 4 10.014 3.351 -10.315 1.00 2.14 C ATOM 61 O PHE A 4 8.943 3.375 -9.717 1.00 35.12 O ATOM 62 CB PHE A 4 11.241 2.660 -8.173 1.00 73.15 C ATOM 63 CG PHE A 4 12.584 2.488 -7.458 1.00 60.50 C ATOM 64 CD1 PHE A 4 13.446 1.446 -7.807 1.00 21.50 C ATOM 65 CD2 PHE A 4 12.990 3.367 -6.453 1.00 73.31 C ATOM 66 CE1 PHE A 4 14.662 1.287 -7.171 1.00 44.12 C ATOM 67 CE2 PHE A 4 14.207 3.209 -5.818 1.00 70.11 C ATOM 68 CZ PHE A 4 15.043 2.167 -6.177 1.00 33.43 C ATOM 0 H PHE A 4 11.691 5.122 -8.400 1.00 75.04 H new ATOM 0 HA PHE A 4 12.099 2.860 -10.144 1.00 54.53 H new ATOM 0 HB2 PHE A 4 10.565 3.222 -7.529 1.00 73.15 H new ATOM 0 HB3 PHE A 4 10.792 1.679 -8.328 1.00 73.15 H new ATOM 0 HD1 PHE A 4 13.158 0.755 -8.585 1.00 21.50 H new ATOM 0 HD2 PHE A 4 12.343 4.183 -6.167 1.00 73.31 H new ATOM 0 HE1 PHE A 4 15.315 0.474 -7.451 1.00 44.12 H new ATOM 0 HE2 PHE A 4 14.505 3.898 -5.042 1.00 70.11 H new ATOM 0 HZ PHE A 4 15.994 2.042 -5.680 1.00 33.43 H new ATOM 78 N LYS A 5 10.099 3.347 -11.653 1.00 4.12 N ATOM 79 CA LYS A 5 8.924 3.239 -12.549 1.00 11.22 C ATOM 80 C LYS A 5 9.060 1.991 -13.454 1.00 12.34 C ATOM 81 O LYS A 5 10.178 1.585 -13.812 1.00 14.45 O ATOM 82 CB LYS A 5 8.769 4.524 -13.411 1.00 23.32 C ATOM 83 CG LYS A 5 9.963 4.839 -14.341 1.00 12.33 C ATOM 84 CD LYS A 5 9.690 6.048 -15.267 1.00 51.11 C ATOM 85 CE LYS A 5 10.861 6.342 -16.221 1.00 21.33 C ATOM 86 NZ LYS A 5 12.096 6.737 -15.492 1.00 12.51 N ATOM 0 H LYS A 5 10.985 3.419 -12.152 1.00 4.12 H new ATOM 0 HA LYS A 5 8.029 3.133 -11.937 1.00 11.22 H new ATOM 0 HB2 LYS A 5 7.870 4.428 -14.020 1.00 23.32 H new ATOM 0 HB3 LYS A 5 8.614 5.373 -12.745 1.00 23.32 H new ATOM 0 HG2 LYS A 5 10.847 5.041 -13.736 1.00 12.33 H new ATOM 0 HG3 LYS A 5 10.187 3.963 -14.949 1.00 12.33 H new ATOM 0 HD2 LYS A 5 8.790 5.857 -15.851 1.00 51.11 H new ATOM 0 HD3 LYS A 5 9.493 6.930 -14.658 1.00 51.11 H new ATOM 0 HE2 LYS A 5 11.065 5.458 -16.825 1.00 21.33 H new ATOM 0 HE3 LYS A 5 10.576 7.139 -16.908 1.00 21.33 H new ATOM 0 HZ1 LYS A 5 12.832 7.007 -16.176 1.00 12.51 H new ATOM 0 HZ2 LYS A 5 11.889 7.544 -14.870 1.00 12.51 H new ATOM 0 HZ3 LYS A 5 12.432 5.936 -14.920 1.00 12.51 H new ATOM 100 N ARG A 6 7.923 1.376 -13.808 1.00 20.11 N ATOM 101 CA ARG A 6 7.894 0.174 -14.655 1.00 44.51 C ATOM 102 C ARG A 6 7.654 0.542 -16.130 1.00 32.24 C ATOM 103 O ARG A 6 6.509 0.721 -16.572 1.00 31.01 O ATOM 104 CB ARG A 6 6.827 -0.829 -14.149 1.00 21.44 C ATOM 105 CG ARG A 6 6.710 -2.164 -14.944 1.00 72.33 C ATOM 106 CD ARG A 6 7.975 -3.056 -14.869 1.00 4.15 C ATOM 107 NE ARG A 6 9.094 -2.554 -15.703 1.00 44.12 N ATOM 108 CZ ARG A 6 10.336 -2.354 -15.297 1.00 63.52 C ATOM 109 NH1 ARG A 6 10.697 -2.586 -14.071 1.00 15.05 N ATOM 110 NH2 ARG A 6 11.206 -1.896 -16.133 1.00 22.43 N ATOM 0 H ARG A 6 6.999 1.696 -13.517 1.00 20.11 H new ATOM 0 HA ARG A 6 8.869 -0.309 -14.589 1.00 44.51 H new ATOM 0 HB2 ARG A 6 7.046 -1.067 -13.108 1.00 21.44 H new ATOM 0 HB3 ARG A 6 5.856 -0.334 -14.165 1.00 21.44 H new ATOM 0 HG2 ARG A 6 5.858 -2.727 -14.564 1.00 72.33 H new ATOM 0 HG3 ARG A 6 6.501 -1.935 -15.989 1.00 72.33 H new ATOM 0 HD2 ARG A 6 8.304 -3.122 -13.832 1.00 4.15 H new ATOM 0 HD3 ARG A 6 7.718 -4.067 -15.187 1.00 4.15 H new ATOM 0 HE ARG A 6 8.886 -2.344 -16.679 1.00 44.12 H new ATOM 0 HH11 ARG A 6 10.015 -2.931 -13.395 1.00 15.05 H new ATOM 0 HH12 ARG A 6 11.662 -2.423 -13.784 1.00 15.05 H new ATOM 0 HH21 ARG A 6 10.932 -1.693 -17.094 1.00 22.43 H new ATOM 0 HH22 ARG A 6 12.168 -1.737 -15.832 1.00 22.43 H new ATOM 124 N VAL A 7 8.763 0.731 -16.853 1.00 13.01 N ATOM 125 CA VAL A 7 8.770 0.764 -18.329 1.00 52.42 C ATOM 126 C VAL A 7 8.227 -0.578 -18.892 1.00 63.11 C ATOM 127 O VAL A 7 8.852 -1.629 -18.692 1.00 35.10 O ATOM 128 CB VAL A 7 10.218 1.042 -18.892 1.00 53.21 C ATOM 129 CG1 VAL A 7 10.220 1.115 -20.440 1.00 11.13 C ATOM 130 CG2 VAL A 7 10.819 2.332 -18.274 1.00 73.02 C ATOM 0 H VAL A 7 9.684 0.866 -16.436 1.00 13.01 H new ATOM 0 HA VAL A 7 8.123 1.580 -18.651 1.00 52.42 H new ATOM 0 HB VAL A 7 10.850 0.203 -18.601 1.00 53.21 H new ATOM 0 HG11 VAL A 7 11.233 1.308 -20.794 1.00 11.13 H new ATOM 0 HG12 VAL A 7 9.866 0.169 -20.849 1.00 11.13 H new ATOM 0 HG13 VAL A 7 9.562 1.920 -20.767 1.00 11.13 H new ATOM 0 HG21 VAL A 7 11.817 2.499 -18.680 1.00 73.02 H new ATOM 0 HG22 VAL A 7 10.182 3.183 -18.516 1.00 73.02 H new ATOM 0 HG23 VAL A 7 10.881 2.222 -17.191 1.00 73.02 H new ATOM 140 N ALA A 8 7.043 -0.522 -19.534 1.00 62.22 N ATOM 141 CA ALA A 8 6.339 -1.707 -20.089 1.00 63.15 C ATOM 142 C ALA A 8 7.166 -2.458 -21.163 1.00 13.41 C ATOM 143 O ALA A 8 7.114 -3.692 -21.228 1.00 44.41 O ATOM 144 CB ALA A 8 4.979 -1.288 -20.663 1.00 61.51 C ATOM 0 H ALA A 8 6.540 0.352 -19.686 1.00 62.22 H new ATOM 0 HA ALA A 8 6.195 -2.404 -19.264 1.00 63.15 H new ATOM 0 HB1 ALA A 8 4.470 -2.163 -21.068 1.00 61.51 H new ATOM 0 HB2 ALA A 8 4.371 -0.847 -19.873 1.00 61.51 H new ATOM 0 HB3 ALA A 8 5.129 -0.556 -21.457 1.00 61.51 H new ATOM 150 N GLY A 9 7.862 -1.699 -22.050 1.00 44.14 N ATOM 151 CA GLY A 9 8.863 -2.270 -22.985 1.00 53.21 C ATOM 152 C GLY A 9 9.862 -3.265 -22.367 1.00 44.21 C ATOM 153 O GLY A 9 10.365 -4.164 -23.058 1.00 52.25 O ATOM 0 H GLY A 9 7.747 -0.689 -22.136 1.00 44.14 H new ATOM 0 HA2 GLY A 9 8.332 -2.772 -23.794 1.00 53.21 H new ATOM 0 HA3 GLY A 9 9.425 -1.450 -23.432 1.00 53.21 H new ATOM 157 N ILE A 10 10.164 -3.092 -21.072 1.00 15.02 N ATOM 158 CA ILE A 10 10.963 -4.057 -20.294 1.00 41.54 C ATOM 159 C ILE A 10 10.026 -5.143 -19.704 1.00 44.03 C ATOM 160 O ILE A 10 9.021 -4.816 -19.063 1.00 50.34 O ATOM 161 CB ILE A 10 11.742 -3.345 -19.123 1.00 0.34 C ATOM 162 CG1 ILE A 10 12.535 -2.097 -19.638 1.00 4.13 C ATOM 163 CG2 ILE A 10 12.682 -4.330 -18.377 1.00 0.41 C ATOM 164 CD1 ILE A 10 13.577 -2.383 -20.711 1.00 5.24 C ATOM 0 H ILE A 10 9.863 -2.281 -20.532 1.00 15.02 H new ATOM 0 HA ILE A 10 11.694 -4.512 -20.962 1.00 41.54 H new ATOM 0 HB ILE A 10 10.996 -2.996 -18.409 1.00 0.34 H new ATOM 0 HG12 ILE A 10 11.823 -1.372 -20.031 1.00 4.13 H new ATOM 0 HG13 ILE A 10 13.032 -1.627 -18.789 1.00 4.13 H new ATOM 0 HG21 ILE A 10 13.201 -3.802 -17.577 1.00 0.41 H new ATOM 0 HG22 ILE A 10 12.094 -5.144 -17.953 1.00 0.41 H new ATOM 0 HG23 ILE A 10 13.412 -4.737 -19.077 1.00 0.41 H new ATOM 0 HD11 ILE A 10 14.068 -1.453 -20.998 1.00 5.24 H new ATOM 0 HD12 ILE A 10 14.319 -3.080 -20.321 1.00 5.24 H new ATOM 0 HD13 ILE A 10 13.091 -2.821 -21.583 1.00 5.24 H new ATOM 176 N LYS A 11 10.387 -6.424 -19.888 1.00 73.23 N ATOM 177 CA LYS A 11 9.548 -7.570 -19.449 1.00 71.21 C ATOM 178 C LYS A 11 10.268 -8.404 -18.378 1.00 53.34 C ATOM 179 O LYS A 11 9.607 -9.087 -17.582 1.00 64.12 O ATOM 180 CB LYS A 11 9.140 -8.465 -20.651 1.00 53.20 C ATOM 181 CG LYS A 11 10.309 -9.089 -21.444 1.00 64.14 C ATOM 182 CD LYS A 11 9.858 -10.122 -22.517 1.00 11.15 C ATOM 183 CE LYS A 11 8.997 -9.534 -23.663 1.00 72.12 C ATOM 184 NZ LYS A 11 7.596 -9.220 -23.254 1.00 71.21 N ATOM 0 H LYS A 11 11.258 -6.701 -20.340 1.00 73.23 H new ATOM 0 HA LYS A 11 8.639 -7.159 -19.010 1.00 71.21 H new ATOM 0 HB2 LYS A 11 8.504 -9.270 -20.283 1.00 53.20 H new ATOM 0 HB3 LYS A 11 8.536 -7.870 -21.336 1.00 53.20 H new ATOM 0 HG2 LYS A 11 10.870 -8.293 -21.933 1.00 64.14 H new ATOM 0 HG3 LYS A 11 10.990 -9.577 -20.746 1.00 64.14 H new ATOM 0 HD2 LYS A 11 10.744 -10.587 -22.949 1.00 11.15 H new ATOM 0 HD3 LYS A 11 9.292 -10.912 -22.025 1.00 11.15 H new ATOM 0 HE2 LYS A 11 9.471 -8.625 -24.034 1.00 72.12 H new ATOM 0 HE3 LYS A 11 8.975 -10.243 -24.491 1.00 72.12 H new ATOM 0 HZ1 LYS A 11 6.934 -9.608 -23.956 1.00 71.21 H new ATOM 0 HZ2 LYS A 11 7.402 -9.644 -22.324 1.00 71.21 H new ATOM 0 HZ3 LYS A 11 7.474 -8.189 -23.196 1.00 71.21 H new ATOM 198 N ASP A 12 11.623 -8.374 -18.426 1.00 3.33 N ATOM 199 CA ASP A 12 12.536 -8.988 -17.431 1.00 32.34 C ATOM 200 C ASP A 12 11.976 -8.977 -15.987 1.00 63.21 C ATOM 201 O ASP A 12 11.825 -7.904 -15.384 1.00 5.10 O ATOM 202 CB ASP A 12 13.888 -8.230 -17.444 1.00 23.42 C ATOM 203 CG ASP A 12 14.535 -8.161 -18.835 1.00 24.32 C ATOM 204 OD1 ASP A 12 14.126 -7.301 -19.646 1.00 61.01 O ATOM 205 OD2 ASP A 12 15.440 -8.971 -19.133 1.00 2.12 O ATOM 0 H ASP A 12 12.125 -7.908 -19.181 1.00 3.33 H new ATOM 0 HA ASP A 12 12.656 -10.032 -17.721 1.00 32.34 H new ATOM 0 HB2 ASP A 12 13.732 -7.217 -17.073 1.00 23.42 H new ATOM 0 HB3 ASP A 12 14.577 -8.719 -16.755 1.00 23.42 H new ATOM 210 N LYS A 13 11.706 -10.175 -15.427 1.00 43.24 N ATOM 211 CA LYS A 13 11.150 -10.318 -14.064 1.00 43.43 C ATOM 212 C LYS A 13 12.159 -9.884 -12.973 1.00 24.05 C ATOM 213 O LYS A 13 11.783 -9.740 -11.819 1.00 35.54 O ATOM 214 CB LYS A 13 10.682 -11.781 -13.811 1.00 71.13 C ATOM 215 CG LYS A 13 9.599 -12.309 -14.792 1.00 60.13 C ATOM 216 CD LYS A 13 8.316 -11.438 -14.832 1.00 33.21 C ATOM 217 CE LYS A 13 7.654 -11.264 -13.450 1.00 62.24 C ATOM 218 NZ LYS A 13 7.250 -12.554 -12.833 1.00 14.04 N ATOM 0 H LYS A 13 11.865 -11.064 -15.902 1.00 43.24 H new ATOM 0 HA LYS A 13 10.290 -9.652 -14.000 1.00 43.43 H new ATOM 0 HB2 LYS A 13 11.550 -12.438 -13.866 1.00 71.13 H new ATOM 0 HB3 LYS A 13 10.294 -11.851 -12.795 1.00 71.13 H new ATOM 0 HG2 LYS A 13 10.024 -12.361 -15.795 1.00 60.13 H new ATOM 0 HG3 LYS A 13 9.328 -13.326 -14.508 1.00 60.13 H new ATOM 0 HD2 LYS A 13 8.564 -10.456 -15.235 1.00 33.21 H new ATOM 0 HD3 LYS A 13 7.599 -11.891 -15.516 1.00 33.21 H new ATOM 0 HE2 LYS A 13 8.347 -10.750 -12.784 1.00 62.24 H new ATOM 0 HE3 LYS A 13 6.776 -10.626 -13.551 1.00 62.24 H new ATOM 0 HZ1 LYS A 13 6.484 -12.387 -12.150 1.00 14.04 H new ATOM 0 HZ2 LYS A 13 6.918 -13.204 -13.574 1.00 14.04 H new ATOM 0 HZ3 LYS A 13 8.065 -12.975 -12.343 1.00 14.04 H new ATOM 232 N ALA A 14 13.436 -9.691 -13.362 1.00 73.51 N ATOM 233 CA ALA A 14 14.481 -9.107 -12.493 1.00 23.24 C ATOM 234 C ALA A 14 14.214 -7.602 -12.243 1.00 41.14 C ATOM 235 O ALA A 14 14.414 -7.095 -11.135 1.00 51.12 O ATOM 236 CB ALA A 14 15.861 -9.314 -13.136 1.00 35.32 C ATOM 0 H ALA A 14 13.774 -9.937 -14.292 1.00 73.51 H new ATOM 0 HA ALA A 14 14.459 -9.613 -11.528 1.00 23.24 H new ATOM 0 HB1 ALA A 14 16.630 -8.883 -12.494 1.00 35.32 H new ATOM 0 HB2 ALA A 14 16.048 -10.381 -13.260 1.00 35.32 H new ATOM 0 HB3 ALA A 14 15.886 -8.825 -14.110 1.00 35.32 H new ATOM 242 N ALA A 15 13.732 -6.903 -13.293 1.00 72.43 N ATOM 243 CA ALA A 15 13.388 -5.465 -13.220 1.00 23.04 C ATOM 244 C ALA A 15 12.066 -5.250 -12.440 1.00 54.33 C ATOM 245 O ALA A 15 11.936 -4.291 -11.670 1.00 12.14 O ATOM 246 CB ALA A 15 13.292 -4.877 -14.637 1.00 54.14 C ATOM 0 H ALA A 15 13.571 -7.316 -14.211 1.00 72.43 H new ATOM 0 HA ALA A 15 14.178 -4.944 -12.679 1.00 23.04 H new ATOM 0 HB1 ALA A 15 13.039 -3.819 -14.575 1.00 54.14 H new ATOM 0 HB2 ALA A 15 14.250 -4.992 -15.144 1.00 54.14 H new ATOM 0 HB3 ALA A 15 12.519 -5.403 -15.198 1.00 54.14 H new ATOM 252 N ILE A 16 11.078 -6.142 -12.684 1.00 72.34 N ATOM 253 CA ILE A 16 9.835 -6.225 -11.876 1.00 1.02 C ATOM 254 C ILE A 16 10.167 -6.539 -10.382 1.00 52.44 C ATOM 255 O ILE A 16 9.652 -5.877 -9.487 1.00 23.51 O ATOM 256 CB ILE A 16 8.814 -7.301 -12.474 1.00 42.22 C ATOM 257 CG1 ILE A 16 8.081 -6.781 -13.763 1.00 4.13 C ATOM 258 CG2 ILE A 16 7.758 -7.759 -11.441 1.00 33.12 C ATOM 259 CD1 ILE A 16 8.953 -6.563 -14.980 1.00 2.03 C ATOM 0 H ILE A 16 11.118 -6.822 -13.443 1.00 72.34 H new ATOM 0 HA ILE A 16 9.346 -5.252 -11.921 1.00 1.02 H new ATOM 0 HB ILE A 16 9.432 -8.158 -12.742 1.00 42.22 H new ATOM 0 HG12 ILE A 16 7.299 -7.494 -14.024 1.00 4.13 H new ATOM 0 HG13 ILE A 16 7.587 -5.840 -13.521 1.00 4.13 H new ATOM 0 HG21 ILE A 16 7.092 -8.489 -11.901 1.00 33.12 H new ATOM 0 HG22 ILE A 16 8.259 -8.213 -10.586 1.00 33.12 H new ATOM 0 HG23 ILE A 16 7.178 -6.898 -11.107 1.00 33.12 H new ATOM 0 HD11 ILE A 16 8.340 -6.205 -15.807 1.00 2.03 H new ATOM 0 HD12 ILE A 16 9.720 -5.824 -14.750 1.00 2.03 H new ATOM 0 HD13 ILE A 16 9.427 -7.503 -15.261 1.00 2.03 H new ATOM 271 N LYS A 17 11.069 -7.517 -10.141 1.00 31.01 N ATOM 272 CA LYS A 17 11.451 -7.960 -8.770 1.00 4.02 C ATOM 273 C LYS A 17 12.039 -6.806 -7.927 1.00 42.40 C ATOM 274 O LYS A 17 11.602 -6.580 -6.798 1.00 43.24 O ATOM 275 CB LYS A 17 12.481 -9.113 -8.835 1.00 62.41 C ATOM 276 CG LYS A 17 13.011 -9.593 -7.457 1.00 72.51 C ATOM 277 CD LYS A 17 14.159 -10.623 -7.574 1.00 34.04 C ATOM 278 CE LYS A 17 15.386 -10.062 -8.323 1.00 11.43 C ATOM 279 NZ LYS A 17 16.488 -11.050 -8.421 1.00 71.52 N ATOM 0 H LYS A 17 11.553 -8.022 -10.883 1.00 31.01 H new ATOM 0 HA LYS A 17 10.537 -8.306 -8.288 1.00 4.02 H new ATOM 0 HB2 LYS A 17 12.025 -9.960 -9.348 1.00 62.41 H new ATOM 0 HB3 LYS A 17 13.327 -8.791 -9.442 1.00 62.41 H new ATOM 0 HG2 LYS A 17 13.361 -8.731 -6.889 1.00 72.51 H new ATOM 0 HG3 LYS A 17 12.190 -10.035 -6.893 1.00 72.51 H new ATOM 0 HD2 LYS A 17 14.461 -10.940 -6.576 1.00 34.04 H new ATOM 0 HD3 LYS A 17 13.795 -11.510 -8.093 1.00 34.04 H new ATOM 0 HE2 LYS A 17 15.087 -9.754 -9.325 1.00 11.43 H new ATOM 0 HE3 LYS A 17 15.746 -9.170 -7.809 1.00 11.43 H new ATOM 0 HZ1 LYS A 17 17.289 -10.627 -8.932 1.00 71.52 H new ATOM 0 HZ2 LYS A 17 16.793 -11.326 -7.466 1.00 71.52 H new ATOM 0 HZ3 LYS A 17 16.155 -11.891 -8.934 1.00 71.52 H new ATOM 293 N THR A 18 13.029 -6.084 -8.492 1.00 74.34 N ATOM 294 CA THR A 18 13.695 -4.943 -7.808 1.00 32.11 C ATOM 295 C THR A 18 12.690 -3.803 -7.508 1.00 42.52 C ATOM 296 O THR A 18 12.787 -3.124 -6.479 1.00 70.20 O ATOM 297 CB THR A 18 14.881 -4.391 -8.673 1.00 12.42 C ATOM 298 OG1 THR A 18 15.793 -5.458 -8.972 1.00 74.11 O ATOM 299 CG2 THR A 18 15.657 -3.250 -7.981 1.00 5.42 C ATOM 0 H THR A 18 13.391 -6.269 -9.428 1.00 74.34 H new ATOM 0 HA THR A 18 14.089 -5.314 -6.862 1.00 32.11 H new ATOM 0 HB THR A 18 14.442 -3.981 -9.583 1.00 12.42 H new ATOM 0 HG1 THR A 18 15.415 -6.023 -9.678 1.00 74.11 H new ATOM 0 HG21 THR A 18 16.464 -2.912 -8.631 1.00 5.42 H new ATOM 0 HG22 THR A 18 14.981 -2.419 -7.781 1.00 5.42 H new ATOM 0 HG23 THR A 18 16.075 -3.612 -7.042 1.00 5.42 H new ATOM 307 N LEU A 19 11.721 -3.630 -8.423 1.00 33.04 N ATOM 308 CA LEU A 19 10.614 -2.661 -8.271 1.00 61.12 C ATOM 309 C LEU A 19 9.732 -3.009 -7.033 1.00 64.44 C ATOM 310 O LEU A 19 9.384 -2.137 -6.231 1.00 62.35 O ATOM 311 CB LEU A 19 9.735 -2.672 -9.551 1.00 20.13 C ATOM 312 CG LEU A 19 8.706 -1.506 -9.671 1.00 14.11 C ATOM 313 CD1 LEU A 19 9.360 -0.235 -10.255 1.00 40.33 C ATOM 314 CD2 LEU A 19 7.448 -1.924 -10.459 1.00 32.44 C ATOM 0 H LEU A 19 11.680 -4.159 -9.294 1.00 33.04 H new ATOM 0 HA LEU A 19 11.043 -1.670 -8.122 1.00 61.12 H new ATOM 0 HB2 LEU A 19 10.391 -2.645 -10.421 1.00 20.13 H new ATOM 0 HB3 LEU A 19 9.193 -3.617 -9.590 1.00 20.13 H new ATOM 0 HG LEU A 19 8.374 -1.263 -8.662 1.00 14.11 H new ATOM 0 HD11 LEU A 19 8.615 0.558 -10.325 1.00 40.33 H new ATOM 0 HD12 LEU A 19 10.173 0.087 -9.605 1.00 40.33 H new ATOM 0 HD13 LEU A 19 9.754 -0.452 -11.248 1.00 40.33 H new ATOM 0 HD21 LEU A 19 6.759 -1.082 -10.518 1.00 32.44 H new ATOM 0 HD22 LEU A 19 7.734 -2.230 -11.465 1.00 32.44 H new ATOM 0 HD23 LEU A 19 6.961 -2.756 -9.951 1.00 32.44 H new ATOM 326 N ILE A 20 9.393 -4.308 -6.906 1.00 14.12 N ATOM 327 CA ILE A 20 8.553 -4.850 -5.806 1.00 73.13 C ATOM 328 C ILE A 20 9.325 -4.870 -4.455 1.00 71.11 C ATOM 329 O ILE A 20 8.736 -4.666 -3.390 1.00 74.20 O ATOM 330 CB ILE A 20 8.051 -6.306 -6.160 1.00 54.15 C ATOM 331 CG1 ILE A 20 7.256 -6.307 -7.503 1.00 45.35 C ATOM 332 CG2 ILE A 20 7.192 -6.919 -5.027 1.00 54.44 C ATOM 333 CD1 ILE A 20 6.796 -7.680 -7.974 1.00 73.30 C ATOM 0 H ILE A 20 9.695 -5.022 -7.569 1.00 14.12 H new ATOM 0 HA ILE A 20 7.692 -4.191 -5.695 1.00 73.13 H new ATOM 0 HB ILE A 20 8.938 -6.929 -6.273 1.00 54.15 H new ATOM 0 HG12 ILE A 20 6.382 -5.665 -7.392 1.00 45.35 H new ATOM 0 HG13 ILE A 20 7.880 -5.863 -8.278 1.00 45.35 H new ATOM 0 HG21 ILE A 20 6.870 -7.920 -5.315 1.00 54.44 H new ATOM 0 HG22 ILE A 20 7.783 -6.977 -4.113 1.00 54.44 H new ATOM 0 HG23 ILE A 20 6.317 -6.292 -4.854 1.00 54.44 H new ATOM 0 HD11 ILE A 20 6.253 -7.579 -8.914 1.00 73.30 H new ATOM 0 HD12 ILE A 20 7.663 -8.323 -8.123 1.00 73.30 H new ATOM 0 HD13 ILE A 20 6.142 -8.122 -7.223 1.00 73.30 H new ATOM 345 N SER A 21 10.647 -5.114 -4.517 1.00 21.15 N ATOM 346 CA SER A 21 11.531 -5.118 -3.322 1.00 34.43 C ATOM 347 C SER A 21 11.663 -3.691 -2.749 1.00 34.34 C ATOM 348 O SER A 21 11.592 -3.487 -1.537 1.00 74.42 O ATOM 349 CB SER A 21 12.925 -5.697 -3.672 1.00 2.31 C ATOM 350 OG SER A 21 12.833 -7.045 -4.115 1.00 74.15 O ATOM 0 H SER A 21 11.137 -5.314 -5.389 1.00 21.15 H new ATOM 0 HA SER A 21 11.081 -5.757 -2.562 1.00 34.43 H new ATOM 0 HB2 SER A 21 13.388 -5.089 -4.449 1.00 2.31 H new ATOM 0 HB3 SER A 21 13.572 -5.644 -2.797 1.00 2.31 H new ATOM 0 HG SER A 21 12.449 -7.068 -5.016 1.00 74.15 H new ATOM 356 N ALA A 22 11.829 -2.711 -3.657 1.00 31.22 N ATOM 357 CA ALA A 22 11.808 -1.268 -3.321 1.00 44.32 C ATOM 358 C ALA A 22 10.428 -0.842 -2.764 1.00 42.31 C ATOM 359 O ALA A 22 10.344 -0.041 -1.825 1.00 72.11 O ATOM 360 CB ALA A 22 12.169 -0.434 -4.562 1.00 50.22 C ATOM 0 H ALA A 22 11.982 -2.895 -4.649 1.00 31.22 H new ATOM 0 HA ALA A 22 12.550 -1.087 -2.543 1.00 44.32 H new ATOM 0 HB1 ALA A 22 12.151 0.625 -4.306 1.00 50.22 H new ATOM 0 HB2 ALA A 22 13.166 -0.707 -4.907 1.00 50.22 H new ATOM 0 HB3 ALA A 22 11.446 -0.628 -5.354 1.00 50.22 H new ATOM 366 N ALA A 23 9.358 -1.414 -3.352 1.00 44.04 N ATOM 367 CA ALA A 23 7.969 -1.190 -2.908 1.00 5.51 C ATOM 368 C ALA A 23 7.745 -1.667 -1.442 1.00 1.20 C ATOM 369 O ALA A 23 7.097 -0.985 -0.656 1.00 1.44 O ATOM 370 CB ALA A 23 6.999 -1.898 -3.861 1.00 20.30 C ATOM 0 H ALA A 23 9.434 -2.045 -4.150 1.00 44.04 H new ATOM 0 HA ALA A 23 7.777 -0.117 -2.930 1.00 5.51 H new ATOM 0 HB1 ALA A 23 5.975 -1.730 -3.529 1.00 20.30 H new ATOM 0 HB2 ALA A 23 7.124 -1.501 -4.868 1.00 20.30 H new ATOM 0 HB3 ALA A 23 7.208 -2.968 -3.864 1.00 20.30 H new ATOM 376 N TYR A 24 8.312 -2.845 -1.091 1.00 42.34 N ATOM 377 CA TYR A 24 8.235 -3.406 0.284 1.00 21.12 C ATOM 378 C TYR A 24 9.000 -2.531 1.310 1.00 32.43 C ATOM 379 O TYR A 24 8.470 -2.175 2.358 1.00 61.24 O ATOM 380 CB TYR A 24 8.809 -4.853 0.338 1.00 22.23 C ATOM 381 CG TYR A 24 8.023 -5.938 -0.415 1.00 11.01 C ATOM 382 CD1 TYR A 24 6.645 -5.838 -0.632 1.00 70.31 C ATOM 383 CD2 TYR A 24 8.668 -7.092 -0.876 1.00 33.20 C ATOM 384 CE1 TYR A 24 5.948 -6.841 -1.278 1.00 53.44 C ATOM 385 CE2 TYR A 24 7.973 -8.091 -1.526 1.00 34.53 C ATOM 386 CZ TYR A 24 6.617 -7.963 -1.722 1.00 64.33 C ATOM 387 OH TYR A 24 5.925 -8.959 -2.372 1.00 70.51 O ATOM 0 H TYR A 24 8.832 -3.431 -1.744 1.00 42.34 H new ATOM 0 HA TYR A 24 7.178 -3.421 0.548 1.00 21.12 H new ATOM 0 HB2 TYR A 24 9.824 -4.831 -0.059 1.00 22.23 H new ATOM 0 HB3 TYR A 24 8.882 -5.151 1.384 1.00 22.23 H new ATOM 0 HD1 TYR A 24 6.116 -4.961 -0.289 1.00 70.31 H new ATOM 0 HD2 TYR A 24 9.731 -7.202 -0.720 1.00 33.20 H new ATOM 0 HE1 TYR A 24 4.884 -6.747 -1.435 1.00 53.44 H new ATOM 0 HE2 TYR A 24 8.491 -8.970 -1.880 1.00 34.53 H new ATOM 0 HH TYR A 24 5.099 -9.156 -1.883 1.00 70.51 H new ATOM 397 N ARG A 25 10.253 -2.181 0.978 1.00 45.34 N ATOM 398 CA ARG A 25 11.160 -1.456 1.903 1.00 34.32 C ATOM 399 C ARG A 25 10.720 0.013 2.147 1.00 51.54 C ATOM 400 O ARG A 25 11.195 0.657 3.089 1.00 2.43 O ATOM 401 CB ARG A 25 12.620 -1.536 1.381 1.00 62.31 C ATOM 402 CG ARG A 25 13.130 -2.988 1.219 1.00 3.45 C ATOM 403 CD ARG A 25 14.594 -3.093 0.745 1.00 10.00 C ATOM 404 NE ARG A 25 15.560 -2.709 1.794 1.00 14.32 N ATOM 405 CZ ARG A 25 16.835 -3.050 1.817 1.00 71.41 C ATOM 406 NH1 ARG A 25 17.361 -3.762 0.863 1.00 71.04 N ATOM 407 NH2 ARG A 25 17.577 -2.678 2.804 1.00 65.12 N ATOM 0 H ARG A 25 10.670 -2.387 0.070 1.00 45.34 H new ATOM 0 HA ARG A 25 11.104 -1.948 2.874 1.00 34.32 H new ATOM 0 HB2 ARG A 25 12.684 -1.026 0.420 1.00 62.31 H new ATOM 0 HB3 ARG A 25 13.275 -1.002 2.069 1.00 62.31 H new ATOM 0 HG2 ARG A 25 13.031 -3.505 2.173 1.00 3.45 H new ATOM 0 HG3 ARG A 25 12.491 -3.509 0.506 1.00 3.45 H new ATOM 0 HD2 ARG A 25 14.796 -4.116 0.427 1.00 10.00 H new ATOM 0 HD3 ARG A 25 14.737 -2.454 -0.126 1.00 10.00 H new ATOM 0 HE ARG A 25 15.214 -2.134 2.562 1.00 14.32 H new ATOM 0 HH11 ARG A 25 16.786 -4.067 0.078 1.00 71.04 H new ATOM 0 HH12 ARG A 25 18.349 -4.015 0.900 1.00 71.04 H new ATOM 0 HH21 ARG A 25 17.178 -2.123 3.561 1.00 65.12 H new ATOM 0 HH22 ARG A 25 18.563 -2.938 2.827 1.00 65.12 H new ATOM 421 N GLN A 26 9.821 0.535 1.289 1.00 43.14 N ATOM 422 CA GLN A 26 9.208 1.872 1.477 1.00 52.41 C ATOM 423 C GLN A 26 7.840 1.775 2.212 1.00 51.03 C ATOM 424 O GLN A 26 7.579 2.529 3.162 1.00 32.25 O ATOM 425 CB GLN A 26 9.043 2.584 0.104 1.00 22.15 C ATOM 426 CG GLN A 26 8.547 4.047 0.189 1.00 41.32 C ATOM 427 CD GLN A 26 9.501 4.979 0.956 1.00 21.53 C ATOM 428 OE1 GLN A 26 10.410 5.581 0.385 1.00 1.20 O ATOM 429 NE2 GLN A 26 9.305 5.102 2.260 1.00 5.01 N ATOM 0 H GLN A 26 9.499 0.049 0.452 1.00 43.14 H new ATOM 0 HA GLN A 26 9.876 2.463 2.104 1.00 52.41 H new ATOM 0 HB2 GLN A 26 10.001 2.569 -0.415 1.00 22.15 H new ATOM 0 HB3 GLN A 26 8.342 2.012 -0.504 1.00 22.15 H new ATOM 0 HG2 GLN A 26 8.409 4.434 -0.821 1.00 41.32 H new ATOM 0 HG3 GLN A 26 7.570 4.063 0.673 1.00 41.32 H new ATOM 0 HE21 GLN A 26 8.545 4.593 2.712 1.00 5.01 H new ATOM 0 HE22 GLN A 26 9.914 5.706 2.813 1.00 5.01 H new ATOM 438 N ILE A 27 6.973 0.844 1.759 1.00 74.10 N ATOM 439 CA ILE A 27 5.583 0.706 2.279 1.00 22.21 C ATOM 440 C ILE A 27 5.533 -0.130 3.581 1.00 24.05 C ATOM 441 O ILE A 27 5.077 0.345 4.619 1.00 14.25 O ATOM 442 CB ILE A 27 4.627 0.087 1.190 1.00 2.44 C ATOM 443 CG1 ILE A 27 4.601 0.998 -0.085 1.00 0.54 C ATOM 444 CG2 ILE A 27 3.189 -0.144 1.745 1.00 3.01 C ATOM 445 CD1 ILE A 27 3.836 0.419 -1.258 1.00 11.31 C ATOM 0 H ILE A 27 7.207 0.170 1.030 1.00 74.10 H new ATOM 0 HA ILE A 27 5.232 1.710 2.517 1.00 22.21 H new ATOM 0 HB ILE A 27 5.021 -0.891 0.913 1.00 2.44 H new ATOM 0 HG12 ILE A 27 4.161 1.959 0.180 1.00 0.54 H new ATOM 0 HG13 ILE A 27 5.627 1.193 -0.398 1.00 0.54 H new ATOM 0 HG21 ILE A 27 2.562 -0.572 0.963 1.00 3.01 H new ATOM 0 HG22 ILE A 27 3.231 -0.829 2.592 1.00 3.01 H new ATOM 0 HG23 ILE A 27 2.767 0.807 2.069 1.00 3.01 H new ATOM 0 HD11 ILE A 27 3.871 1.116 -2.095 1.00 11.31 H new ATOM 0 HD12 ILE A 27 4.287 -0.528 -1.555 1.00 11.31 H new ATOM 0 HD13 ILE A 27 2.799 0.251 -0.969 1.00 11.31 H new ATOM 457 N PHE A 28 6.010 -1.377 3.514 1.00 45.51 N ATOM 458 CA PHE A 28 6.100 -2.269 4.698 1.00 31.33 C ATOM 459 C PHE A 28 7.257 -1.819 5.638 1.00 32.02 C ATOM 460 O PHE A 28 7.329 -2.251 6.792 1.00 61.02 O ATOM 461 CB PHE A 28 6.334 -3.742 4.257 1.00 71.30 C ATOM 462 CG PHE A 28 5.221 -4.370 3.413 1.00 53.41 C ATOM 463 CD1 PHE A 28 4.950 -3.907 2.126 1.00 0.31 C ATOM 464 CD2 PHE A 28 4.465 -5.440 3.894 1.00 72.30 C ATOM 465 CE1 PHE A 28 3.966 -4.488 1.353 1.00 2.03 C ATOM 466 CE2 PHE A 28 3.476 -6.020 3.116 1.00 44.43 C ATOM 467 CZ PHE A 28 3.227 -5.544 1.847 1.00 2.03 C ATOM 0 H PHE A 28 6.345 -1.803 2.650 1.00 45.51 H new ATOM 0 HA PHE A 28 5.156 -2.204 5.239 1.00 31.33 H new ATOM 0 HB2 PHE A 28 7.264 -3.788 3.690 1.00 71.30 H new ATOM 0 HB3 PHE A 28 6.474 -4.351 5.150 1.00 71.30 H new ATOM 0 HD1 PHE A 28 5.520 -3.080 1.728 1.00 0.31 H new ATOM 0 HD2 PHE A 28 4.654 -5.821 4.887 1.00 72.30 H new ATOM 0 HE1 PHE A 28 3.773 -4.115 0.358 1.00 2.03 H new ATOM 0 HE2 PHE A 28 2.899 -6.846 3.505 1.00 44.43 H new ATOM 0 HZ PHE A 28 2.456 -5.996 1.241 1.00 2.03 H new ATOM 477 N GLU A 29 8.166 -0.963 5.088 1.00 65.32 N ATOM 478 CA GLU A 29 9.403 -0.475 5.761 1.00 4.15 C ATOM 479 C GLU A 29 10.425 -1.621 6.001 1.00 14.33 C ATOM 480 O GLU A 29 11.372 -1.476 6.781 1.00 70.11 O ATOM 481 CB GLU A 29 9.094 0.270 7.092 1.00 33.33 C ATOM 482 CG GLU A 29 8.248 1.548 6.954 1.00 13.34 C ATOM 483 CD GLU A 29 8.042 2.265 8.306 1.00 63.35 C ATOM 484 OE1 GLU A 29 8.923 3.046 8.711 1.00 44.24 O ATOM 485 OE2 GLU A 29 7.007 2.035 8.977 1.00 72.23 O ATOM 0 H GLU A 29 8.056 -0.587 4.146 1.00 65.32 H new ATOM 0 HA GLU A 29 9.857 0.243 5.078 1.00 4.15 H new ATOM 0 HB2 GLU A 29 8.576 -0.417 7.761 1.00 33.33 H new ATOM 0 HB3 GLU A 29 10.038 0.530 7.570 1.00 33.33 H new ATOM 0 HG2 GLU A 29 8.734 2.229 6.255 1.00 13.34 H new ATOM 0 HG3 GLU A 29 7.277 1.294 6.529 1.00 13.34 H new ATOM 492 N ARG A 30 10.233 -2.733 5.280 1.00 34.22 N ATOM 493 CA ARG A 30 11.035 -3.969 5.419 1.00 31.33 C ATOM 494 C ARG A 30 11.032 -4.757 4.092 1.00 32.50 C ATOM 495 O ARG A 30 10.026 -4.763 3.375 1.00 33.33 O ATOM 496 CB ARG A 30 10.445 -4.878 6.546 1.00 13.12 C ATOM 497 CG ARG A 30 8.927 -5.172 6.391 1.00 2.31 C ATOM 498 CD ARG A 30 8.433 -6.392 7.188 1.00 31.12 C ATOM 499 NE ARG A 30 8.932 -7.662 6.621 1.00 74.50 N ATOM 500 CZ ARG A 30 8.280 -8.804 6.606 1.00 44.42 C ATOM 501 NH1 ARG A 30 7.068 -8.903 7.065 1.00 51.40 N ATOM 502 NH2 ARG A 30 8.853 -9.848 6.111 1.00 41.13 N ATOM 0 H ARG A 30 9.505 -2.807 4.570 1.00 34.22 H new ATOM 0 HA ARG A 30 12.055 -3.685 5.677 1.00 31.33 H new ATOM 0 HB2 ARG A 30 10.988 -5.823 6.558 1.00 13.12 H new ATOM 0 HB3 ARG A 30 10.615 -4.400 7.511 1.00 13.12 H new ATOM 0 HG2 ARG A 30 8.365 -4.294 6.708 1.00 2.31 H new ATOM 0 HG3 ARG A 30 8.705 -5.328 5.335 1.00 2.31 H new ATOM 0 HD2 ARG A 30 8.759 -6.305 8.224 1.00 31.12 H new ATOM 0 HD3 ARG A 30 7.343 -6.402 7.197 1.00 31.12 H new ATOM 0 HE ARG A 30 9.863 -7.652 6.205 1.00 74.50 H new ATOM 0 HH11 ARG A 30 6.599 -8.082 7.449 1.00 51.40 H new ATOM 0 HH12 ARG A 30 6.585 -9.801 7.041 1.00 51.40 H new ATOM 0 HH21 ARG A 30 9.800 -9.781 5.738 1.00 41.13 H new ATOM 0 HH22 ARG A 30 8.359 -10.740 6.093 1.00 41.13 H new ATOM 516 N ASP A 31 12.162 -5.394 3.759 1.00 21.11 N ATOM 517 CA ASP A 31 12.195 -6.425 2.704 1.00 32.01 C ATOM 518 C ASP A 31 11.507 -7.721 3.204 1.00 2.33 C ATOM 519 O ASP A 31 11.622 -8.090 4.385 1.00 2.14 O ATOM 520 CB ASP A 31 13.653 -6.693 2.235 1.00 22.41 C ATOM 521 CG ASP A 31 14.606 -7.083 3.379 1.00 10.04 C ATOM 522 OD1 ASP A 31 15.014 -6.185 4.150 1.00 2.40 O ATOM 523 OD2 ASP A 31 14.935 -8.282 3.525 1.00 62.11 O ATOM 0 H ASP A 31 13.064 -5.217 4.201 1.00 21.11 H new ATOM 0 HA ASP A 31 11.641 -6.061 1.839 1.00 32.01 H new ATOM 0 HB2 ASP A 31 13.646 -7.490 1.491 1.00 22.41 H new ATOM 0 HB3 ASP A 31 14.037 -5.800 1.742 1.00 22.41 H new ATOM 528 N ILE A 32 10.756 -8.378 2.308 1.00 20.25 N ATOM 529 CA ILE A 32 10.075 -9.655 2.605 1.00 14.12 C ATOM 530 C ILE A 32 10.830 -10.795 1.894 1.00 32.24 C ATOM 531 O ILE A 32 11.302 -10.618 0.761 1.00 51.12 O ATOM 532 CB ILE A 32 8.559 -9.637 2.147 1.00 51.33 C ATOM 533 CG1 ILE A 32 7.801 -8.435 2.808 1.00 22.13 C ATOM 534 CG2 ILE A 32 7.844 -10.989 2.467 1.00 11.40 C ATOM 535 CD1 ILE A 32 6.339 -8.310 2.411 1.00 15.11 C ATOM 0 H ILE A 32 10.601 -8.043 1.357 1.00 20.25 H new ATOM 0 HA ILE A 32 10.082 -9.809 3.684 1.00 14.12 H new ATOM 0 HB ILE A 32 8.540 -9.507 1.065 1.00 51.33 H new ATOM 0 HG12 ILE A 32 7.862 -8.537 3.892 1.00 22.13 H new ATOM 0 HG13 ILE A 32 8.315 -7.510 2.545 1.00 22.13 H new ATOM 0 HG21 ILE A 32 6.806 -10.938 2.138 1.00 11.40 H new ATOM 0 HG22 ILE A 32 8.351 -11.801 1.945 1.00 11.40 H new ATOM 0 HG23 ILE A 32 7.876 -11.172 3.541 1.00 11.40 H new ATOM 0 HD11 ILE A 32 5.897 -7.452 2.917 1.00 15.11 H new ATOM 0 HD12 ILE A 32 6.265 -8.173 1.332 1.00 15.11 H new ATOM 0 HD13 ILE A 32 5.805 -9.215 2.699 1.00 15.11 H new ATOM 547 N ALA A 33 10.945 -11.945 2.583 1.00 13.11 N ATOM 548 CA ALA A 33 11.560 -13.169 2.041 1.00 63.41 C ATOM 549 C ALA A 33 10.912 -13.574 0.685 1.00 15.41 C ATOM 550 O ALA A 33 9.716 -13.866 0.659 1.00 12.34 O ATOM 551 CB ALA A 33 11.422 -14.300 3.067 1.00 11.02 C ATOM 0 H ALA A 33 10.610 -12.051 3.541 1.00 13.11 H new ATOM 0 HA ALA A 33 12.616 -12.978 1.851 1.00 63.41 H new ATOM 0 HB1 ALA A 33 11.876 -15.208 2.670 1.00 11.02 H new ATOM 0 HB2 ALA A 33 11.926 -14.016 3.991 1.00 11.02 H new ATOM 0 HB3 ALA A 33 10.366 -14.480 3.270 1.00 11.02 H new ATOM 557 N PRO A 34 11.692 -13.586 -0.450 1.00 62.10 N ATOM 558 CA PRO A 34 11.136 -13.769 -1.832 1.00 55.45 C ATOM 559 C PRO A 34 10.372 -15.108 -2.020 1.00 73.32 C ATOM 560 O PRO A 34 9.331 -15.154 -2.686 1.00 1.22 O ATOM 561 CB PRO A 34 12.405 -13.685 -2.738 1.00 3.51 C ATOM 562 CG PRO A 34 13.551 -14.010 -1.824 1.00 21.12 C ATOM 563 CD PRO A 34 13.175 -13.427 -0.485 1.00 23.33 C ATOM 0 HA PRO A 34 10.382 -13.020 -2.072 1.00 55.45 H new ATOM 0 HB2 PRO A 34 12.347 -14.391 -3.566 1.00 3.51 H new ATOM 0 HB3 PRO A 34 12.515 -12.692 -3.173 1.00 3.51 H new ATOM 0 HG2 PRO A 34 13.704 -15.087 -1.754 1.00 21.12 H new ATOM 0 HG3 PRO A 34 14.482 -13.579 -2.193 1.00 21.12 H new ATOM 0 HD2 PRO A 34 13.657 -13.959 0.336 1.00 23.33 H new ATOM 0 HD3 PRO A 34 13.470 -12.381 -0.404 1.00 23.33 H new ATOM 571 N TYR A 35 10.896 -16.181 -1.400 1.00 50.33 N ATOM 572 CA TYR A 35 10.271 -17.526 -1.407 1.00 1.24 C ATOM 573 C TYR A 35 8.887 -17.549 -0.701 1.00 14.41 C ATOM 574 O TYR A 35 8.050 -18.390 -1.015 1.00 62.24 O ATOM 575 CB TYR A 35 11.242 -18.585 -0.798 1.00 12.54 C ATOM 576 CG TYR A 35 11.799 -18.248 0.608 1.00 71.43 C ATOM 577 CD1 TYR A 35 12.906 -17.405 0.767 1.00 3.43 C ATOM 578 CD2 TYR A 35 11.232 -18.787 1.770 1.00 2.32 C ATOM 579 CE1 TYR A 35 13.412 -17.105 2.018 1.00 74.41 C ATOM 580 CE2 TYR A 35 11.741 -18.485 3.026 1.00 33.45 C ATOM 581 CZ TYR A 35 12.832 -17.649 3.142 1.00 33.23 C ATOM 582 OH TYR A 35 13.337 -17.335 4.391 1.00 11.30 O ATOM 0 H TYR A 35 11.770 -16.144 -0.876 1.00 50.33 H new ATOM 0 HA TYR A 35 10.083 -17.788 -2.448 1.00 1.24 H new ATOM 0 HB2 TYR A 35 10.721 -19.541 -0.744 1.00 12.54 H new ATOM 0 HB3 TYR A 35 12.082 -18.717 -1.480 1.00 12.54 H new ATOM 0 HD1 TYR A 35 13.375 -16.980 -0.108 1.00 3.43 H new ATOM 0 HD2 TYR A 35 10.383 -19.450 1.687 1.00 2.32 H new ATOM 0 HE1 TYR A 35 14.261 -16.445 2.114 1.00 74.41 H new ATOM 0 HE2 TYR A 35 11.284 -18.904 3.910 1.00 33.45 H new ATOM 0 HH TYR A 35 12.817 -17.799 5.080 1.00 11.30 H new ATOM 592 N ILE A 36 8.663 -16.633 0.260 1.00 60.22 N ATOM 593 CA ILE A 36 7.337 -16.437 0.899 1.00 32.45 C ATOM 594 C ILE A 36 6.443 -15.513 0.028 1.00 11.12 C ATOM 595 O ILE A 36 5.278 -15.826 -0.251 1.00 62.45 O ATOM 596 CB ILE A 36 7.485 -15.832 2.353 1.00 62.13 C ATOM 597 CG1 ILE A 36 8.337 -16.787 3.255 1.00 44.21 C ATOM 598 CG2 ILE A 36 6.101 -15.537 3.000 1.00 3.41 C ATOM 599 CD1 ILE A 36 8.612 -16.282 4.667 1.00 72.24 C ATOM 0 H ILE A 36 9.387 -16.009 0.617 1.00 60.22 H new ATOM 0 HA ILE A 36 6.862 -17.415 0.982 1.00 32.45 H new ATOM 0 HB ILE A 36 8.006 -14.879 2.267 1.00 62.13 H new ATOM 0 HG12 ILE A 36 7.824 -17.747 3.324 1.00 44.21 H new ATOM 0 HG13 ILE A 36 9.291 -16.970 2.761 1.00 44.21 H new ATOM 0 HG21 ILE A 36 6.247 -15.123 3.998 1.00 3.41 H new ATOM 0 HG22 ILE A 36 5.557 -14.820 2.385 1.00 3.41 H new ATOM 0 HG23 ILE A 36 5.528 -16.462 3.071 1.00 3.41 H new ATOM 0 HD11 ILE A 36 9.209 -17.017 5.207 1.00 72.24 H new ATOM 0 HD12 ILE A 36 9.157 -15.339 4.617 1.00 72.24 H new ATOM 0 HD13 ILE A 36 7.667 -16.128 5.189 1.00 72.24 H new ATOM 611 N ALA A 37 7.035 -14.387 -0.417 1.00 24.22 N ATOM 612 CA ALA A 37 6.328 -13.298 -1.135 1.00 15.14 C ATOM 613 C ALA A 37 5.701 -13.753 -2.479 1.00 14.25 C ATOM 614 O ALA A 37 4.701 -13.185 -2.919 1.00 51.34 O ATOM 615 CB ALA A 37 7.281 -12.111 -1.362 1.00 42.22 C ATOM 0 H ALA A 37 8.030 -14.202 -0.288 1.00 24.22 H new ATOM 0 HA ALA A 37 5.498 -12.991 -0.499 1.00 15.14 H new ATOM 0 HB1 ALA A 37 6.753 -11.317 -1.890 1.00 42.22 H new ATOM 0 HB2 ALA A 37 7.632 -11.737 -0.400 1.00 42.22 H new ATOM 0 HB3 ALA A 37 8.134 -12.438 -1.957 1.00 42.22 H new ATOM 621 N GLN A 38 6.287 -14.785 -3.119 1.00 70.21 N ATOM 622 CA GLN A 38 5.772 -15.324 -4.401 1.00 11.43 C ATOM 623 C GLN A 38 4.499 -16.184 -4.204 1.00 13.30 C ATOM 624 O GLN A 38 3.723 -16.348 -5.136 1.00 34.32 O ATOM 625 CB GLN A 38 6.870 -16.127 -5.149 1.00 42.54 C ATOM 626 CG GLN A 38 7.379 -17.396 -4.428 1.00 53.43 C ATOM 627 CD GLN A 38 8.440 -18.180 -5.220 1.00 21.22 C ATOM 628 OE1 GLN A 38 9.331 -18.798 -4.642 1.00 23.41 O ATOM 629 NE2 GLN A 38 8.339 -18.205 -6.542 1.00 64.34 N ATOM 0 H GLN A 38 7.118 -15.264 -2.771 1.00 70.21 H new ATOM 0 HA GLN A 38 5.491 -14.469 -5.016 1.00 11.43 H new ATOM 0 HB2 GLN A 38 6.481 -16.417 -6.125 1.00 42.54 H new ATOM 0 HB3 GLN A 38 7.719 -15.467 -5.327 1.00 42.54 H new ATOM 0 HG2 GLN A 38 7.798 -17.110 -3.463 1.00 53.43 H new ATOM 0 HG3 GLN A 38 6.532 -18.052 -4.226 1.00 53.43 H new ATOM 0 HE21 GLN A 38 7.593 -17.686 -7.006 1.00 64.34 H new ATOM 0 HE22 GLN A 38 9.007 -18.743 -7.094 1.00 64.34 H new ATOM 638 N ASN A 39 4.323 -16.778 -3.005 1.00 44.11 N ATOM 639 CA ASN A 39 3.075 -17.504 -2.638 1.00 10.23 C ATOM 640 C ASN A 39 1.966 -16.531 -2.173 1.00 42.14 C ATOM 641 O ASN A 39 0.792 -16.685 -2.544 1.00 24.12 O ATOM 642 CB ASN A 39 3.351 -18.556 -1.548 1.00 71.15 C ATOM 643 CG ASN A 39 4.350 -19.615 -2.007 1.00 11.15 C ATOM 644 OD1 ASN A 39 3.984 -20.607 -2.624 1.00 12.02 O ATOM 645 ND2 ASN A 39 5.619 -19.419 -1.711 1.00 31.32 N ATOM 0 H ASN A 39 5.028 -16.772 -2.268 1.00 44.11 H new ATOM 0 HA ASN A 39 2.722 -18.014 -3.535 1.00 10.23 H new ATOM 0 HB2 ASN A 39 3.734 -18.060 -0.656 1.00 71.15 H new ATOM 0 HB3 ASN A 39 2.415 -19.039 -1.267 1.00 71.15 H new ATOM 0 HD21 ASN A 39 6.321 -20.102 -1.997 1.00 31.32 H new ATOM 0 HD22 ASN A 39 5.900 -18.584 -1.196 1.00 31.32 H new ATOM 652 N GLU A 40 2.350 -15.553 -1.325 1.00 72.51 N ATOM 653 CA GLU A 40 1.435 -14.491 -0.832 1.00 3.32 C ATOM 654 C GLU A 40 0.835 -13.682 -2.005 1.00 33.32 C ATOM 655 O GLU A 40 -0.386 -13.557 -2.148 1.00 23.52 O ATOM 656 CB GLU A 40 2.203 -13.547 0.141 1.00 23.21 C ATOM 657 CG GLU A 40 2.574 -14.183 1.494 1.00 62.31 C ATOM 658 CD GLU A 40 1.342 -14.481 2.370 1.00 22.32 C ATOM 659 OE1 GLU A 40 0.855 -13.554 3.058 1.00 21.50 O ATOM 660 OE2 GLU A 40 0.842 -15.630 2.361 1.00 21.14 O ATOM 0 H GLU A 40 3.300 -15.474 -0.961 1.00 72.51 H new ATOM 0 HA GLU A 40 0.611 -14.965 -0.299 1.00 3.32 H new ATOM 0 HB2 GLU A 40 3.116 -13.208 -0.348 1.00 23.21 H new ATOM 0 HB3 GLU A 40 1.593 -12.663 0.325 1.00 23.21 H new ATOM 0 HG2 GLU A 40 3.121 -15.109 1.317 1.00 62.31 H new ATOM 0 HG3 GLU A 40 3.245 -13.514 2.033 1.00 62.31 H new ATOM 667 N PHE A 41 1.731 -13.164 -2.845 1.00 24.14 N ATOM 668 CA PHE A 41 1.382 -12.406 -4.060 1.00 65.11 C ATOM 669 C PHE A 41 1.487 -13.318 -5.307 1.00 20.31 C ATOM 670 O PHE A 41 2.021 -12.922 -6.328 1.00 71.03 O ATOM 671 CB PHE A 41 2.316 -11.165 -4.168 1.00 24.43 C ATOM 672 CG PHE A 41 2.271 -10.263 -2.928 1.00 0.12 C ATOM 673 CD1 PHE A 41 1.311 -9.260 -2.804 1.00 14.21 C ATOM 674 CD2 PHE A 41 3.174 -10.440 -1.875 1.00 72.32 C ATOM 675 CE1 PHE A 41 1.260 -8.466 -1.673 1.00 44.14 C ATOM 676 CE2 PHE A 41 3.117 -9.647 -0.742 1.00 12.10 C ATOM 677 CZ PHE A 41 2.163 -8.657 -0.644 1.00 3.10 C ATOM 0 H PHE A 41 2.737 -13.257 -2.704 1.00 24.14 H new ATOM 0 HA PHE A 41 0.351 -12.057 -4.003 1.00 65.11 H new ATOM 0 HB2 PHE A 41 3.340 -11.502 -4.327 1.00 24.43 H new ATOM 0 HB3 PHE A 41 2.033 -10.581 -5.044 1.00 24.43 H new ATOM 0 HD1 PHE A 41 0.599 -9.101 -3.600 1.00 14.21 H new ATOM 0 HD2 PHE A 41 3.929 -11.209 -1.947 1.00 72.32 H new ATOM 0 HE1 PHE A 41 0.511 -7.692 -1.593 1.00 44.14 H new ATOM 0 HE2 PHE A 41 3.819 -9.804 0.064 1.00 12.10 H new ATOM 0 HZ PHE A 41 2.121 -8.031 0.235 1.00 3.10 H new ATOM 687 N SER A 42 0.935 -14.542 -5.210 1.00 24.13 N ATOM 688 CA SER A 42 0.977 -15.547 -6.309 1.00 51.24 C ATOM 689 C SER A 42 0.258 -15.051 -7.585 1.00 54.43 C ATOM 690 O SER A 42 0.802 -15.114 -8.697 1.00 22.53 O ATOM 691 CB SER A 42 0.361 -16.879 -5.823 1.00 64.15 C ATOM 692 OG SER A 42 -0.971 -16.699 -5.352 1.00 41.30 O ATOM 0 H SER A 42 0.448 -14.869 -4.376 1.00 24.13 H new ATOM 0 HA SER A 42 2.022 -15.704 -6.575 1.00 51.24 H new ATOM 0 HB2 SER A 42 0.365 -17.601 -6.639 1.00 64.15 H new ATOM 0 HB3 SER A 42 0.976 -17.296 -5.026 1.00 64.15 H new ATOM 0 HG SER A 42 -1.332 -17.560 -5.054 1.00 41.30 H new ATOM 698 N GLY A 43 -0.971 -14.557 -7.401 1.00 23.22 N ATOM 699 CA GLY A 43 -1.717 -13.913 -8.480 1.00 61.24 C ATOM 700 C GLY A 43 -1.250 -12.477 -8.745 1.00 22.03 C ATOM 701 O GLY A 43 -1.042 -12.088 -9.900 1.00 40.01 O ATOM 0 H GLY A 43 -1.469 -14.593 -6.511 1.00 23.22 H new ATOM 0 HA2 GLY A 43 -1.609 -14.500 -9.392 1.00 61.24 H new ATOM 0 HA3 GLY A 43 -2.778 -13.906 -8.229 1.00 61.24 H new ATOM 705 N TRP A 44 -1.076 -11.699 -7.658 1.00 22.35 N ATOM 706 CA TRP A 44 -0.823 -10.237 -7.712 1.00 23.43 C ATOM 707 C TRP A 44 0.536 -9.841 -8.354 1.00 65.54 C ATOM 708 O TRP A 44 0.614 -8.832 -9.069 1.00 24.03 O ATOM 709 CB TRP A 44 -0.962 -9.648 -6.275 1.00 60.02 C ATOM 710 CG TRP A 44 -1.320 -8.181 -6.232 1.00 22.04 C ATOM 711 CD1 TRP A 44 -0.685 -7.184 -5.542 1.00 61.43 C ATOM 712 CD2 TRP A 44 -2.424 -7.555 -6.915 1.00 42.35 C ATOM 713 NE1 TRP A 44 -1.317 -5.988 -5.756 1.00 23.30 N ATOM 714 CE2 TRP A 44 -2.389 -6.192 -6.592 1.00 1.14 C ATOM 715 CE3 TRP A 44 -3.443 -8.022 -7.768 1.00 44.34 C ATOM 716 CZ2 TRP A 44 -3.322 -5.291 -7.096 1.00 70.34 C ATOM 717 CZ3 TRP A 44 -4.366 -7.128 -8.262 1.00 71.42 C ATOM 718 CH2 TRP A 44 -4.300 -5.774 -7.926 1.00 53.13 C ATOM 0 H TRP A 44 -1.107 -12.067 -6.707 1.00 22.35 H new ATOM 0 HA TRP A 44 -1.573 -9.808 -8.377 1.00 23.43 H new ATOM 0 HB2 TRP A 44 -1.725 -10.211 -5.737 1.00 60.02 H new ATOM 0 HB3 TRP A 44 -0.022 -9.796 -5.743 1.00 60.02 H new ATOM 0 HD1 TRP A 44 0.187 -7.321 -4.920 1.00 61.43 H new ATOM 0 HE1 TRP A 44 -1.037 -5.091 -5.359 1.00 23.30 H new ATOM 0 HE3 TRP A 44 -3.499 -9.068 -8.031 1.00 44.34 H new ATOM 0 HZ2 TRP A 44 -3.277 -4.243 -6.841 1.00 70.34 H new ATOM 0 HZ3 TRP A 44 -5.150 -7.478 -8.917 1.00 71.42 H new ATOM 0 HH2 TRP A 44 -5.035 -5.093 -8.329 1.00 53.13 H new ATOM 729 N GLU A 45 1.593 -10.627 -8.090 1.00 53.15 N ATOM 730 CA GLU A 45 2.927 -10.422 -8.711 1.00 54.03 C ATOM 731 C GLU A 45 2.821 -10.664 -10.232 1.00 73.12 C ATOM 732 O GLU A 45 3.296 -9.858 -11.029 1.00 45.15 O ATOM 733 CB GLU A 45 3.976 -11.375 -8.043 1.00 22.34 C ATOM 734 CG GLU A 45 5.477 -11.133 -8.373 1.00 33.43 C ATOM 735 CD GLU A 45 5.918 -11.549 -9.794 1.00 73.14 C ATOM 736 OE1 GLU A 45 6.011 -12.766 -10.070 1.00 60.23 O ATOM 737 OE2 GLU A 45 6.177 -10.666 -10.641 1.00 63.34 O ATOM 0 H GLU A 45 1.556 -11.418 -7.447 1.00 53.15 H new ATOM 0 HA GLU A 45 3.264 -9.398 -8.551 1.00 54.03 H new ATOM 0 HB2 GLU A 45 3.854 -11.306 -6.962 1.00 22.34 H new ATOM 0 HB3 GLU A 45 3.730 -12.398 -8.327 1.00 22.34 H new ATOM 0 HG2 GLU A 45 5.695 -10.073 -8.239 1.00 33.43 H new ATOM 0 HG3 GLU A 45 6.083 -11.677 -7.649 1.00 33.43 H new ATOM 744 N SER A 46 2.161 -11.776 -10.604 1.00 4.23 N ATOM 745 CA SER A 46 1.919 -12.156 -12.019 1.00 52.25 C ATOM 746 C SER A 46 1.114 -11.071 -12.781 1.00 60.24 C ATOM 747 O SER A 46 1.345 -10.832 -13.966 1.00 4.03 O ATOM 748 CB SER A 46 1.169 -13.504 -12.084 1.00 0.14 C ATOM 749 OG SER A 46 1.882 -14.535 -11.418 1.00 51.21 O ATOM 0 H SER A 46 1.777 -12.442 -9.934 1.00 4.23 H new ATOM 0 HA SER A 46 2.891 -12.251 -12.503 1.00 52.25 H new ATOM 0 HB2 SER A 46 0.183 -13.394 -11.633 1.00 0.14 H new ATOM 0 HB3 SER A 46 1.013 -13.784 -13.126 1.00 0.14 H new ATOM 0 HG SER A 46 1.490 -14.684 -10.532 1.00 51.21 H new ATOM 755 N LYS A 47 0.170 -10.420 -12.076 1.00 3.44 N ATOM 756 CA LYS A 47 -0.624 -9.282 -12.610 1.00 0.31 C ATOM 757 C LYS A 47 0.270 -8.091 -13.047 1.00 55.31 C ATOM 758 O LYS A 47 0.025 -7.468 -14.091 1.00 1.14 O ATOM 759 CB LYS A 47 -1.655 -8.837 -11.536 1.00 55.32 C ATOM 760 CG LYS A 47 -2.866 -9.789 -11.393 1.00 75.15 C ATOM 761 CD LYS A 47 -3.904 -9.621 -12.546 1.00 13.20 C ATOM 762 CE LYS A 47 -4.551 -10.947 -12.983 1.00 12.53 C ATOM 763 NZ LYS A 47 -5.110 -11.726 -11.853 1.00 40.04 N ATOM 0 H LYS A 47 -0.069 -10.665 -11.115 1.00 3.44 H new ATOM 0 HA LYS A 47 -1.145 -9.618 -13.507 1.00 0.31 H new ATOM 0 HB2 LYS A 47 -1.151 -8.760 -10.573 1.00 55.32 H new ATOM 0 HB3 LYS A 47 -2.017 -7.840 -11.786 1.00 55.32 H new ATOM 0 HG2 LYS A 47 -2.512 -10.820 -11.375 1.00 75.15 H new ATOM 0 HG3 LYS A 47 -3.357 -9.604 -10.438 1.00 75.15 H new ATOM 0 HD2 LYS A 47 -4.685 -8.933 -12.224 1.00 13.20 H new ATOM 0 HD3 LYS A 47 -3.411 -9.165 -13.405 1.00 13.20 H new ATOM 0 HE2 LYS A 47 -5.346 -10.737 -13.699 1.00 12.53 H new ATOM 0 HE3 LYS A 47 -3.807 -11.553 -13.501 1.00 12.53 H new ATOM 0 HZ1 LYS A 47 -5.619 -12.555 -12.221 1.00 40.04 H new ATOM 0 HZ2 LYS A 47 -4.337 -12.042 -11.233 1.00 40.04 H new ATOM 0 HZ3 LYS A 47 -5.767 -11.129 -11.311 1.00 40.04 H new ATOM 777 N LEU A 48 1.292 -7.775 -12.230 1.00 63.14 N ATOM 778 CA LEU A 48 2.284 -6.719 -12.554 1.00 33.22 C ATOM 779 C LEU A 48 3.275 -7.192 -13.657 1.00 74.14 C ATOM 780 O LEU A 48 3.559 -6.459 -14.612 1.00 4.14 O ATOM 781 CB LEU A 48 3.087 -6.307 -11.289 1.00 43.24 C ATOM 782 CG LEU A 48 4.109 -5.137 -11.496 1.00 54.24 C ATOM 783 CD1 LEU A 48 3.379 -3.805 -11.769 1.00 14.51 C ATOM 784 CD2 LEU A 48 5.090 -5.015 -10.308 1.00 54.41 C ATOM 0 H LEU A 48 1.457 -8.236 -11.335 1.00 63.14 H new ATOM 0 HA LEU A 48 1.727 -5.859 -12.925 1.00 33.22 H new ATOM 0 HB2 LEU A 48 2.382 -6.018 -10.510 1.00 43.24 H new ATOM 0 HB3 LEU A 48 3.628 -7.179 -10.922 1.00 43.24 H new ATOM 0 HG LEU A 48 4.706 -5.375 -12.377 1.00 54.24 H new ATOM 0 HD11 LEU A 48 4.112 -3.010 -11.909 1.00 14.51 H new ATOM 0 HD12 LEU A 48 2.772 -3.901 -12.669 1.00 14.51 H new ATOM 0 HD13 LEU A 48 2.737 -3.562 -10.922 1.00 14.51 H new ATOM 0 HD21 LEU A 48 5.782 -4.193 -10.490 1.00 54.41 H new ATOM 0 HD22 LEU A 48 4.531 -4.822 -9.393 1.00 54.41 H new ATOM 0 HD23 LEU A 48 5.650 -5.944 -10.202 1.00 54.41 H new ATOM 796 N GLY A 49 3.776 -8.429 -13.495 1.00 5.13 N ATOM 797 CA GLY A 49 4.806 -9.018 -14.367 1.00 4.21 C ATOM 798 C GLY A 49 4.364 -9.219 -15.823 1.00 0.10 C ATOM 799 O GLY A 49 5.184 -9.145 -16.743 1.00 11.11 O ATOM 0 H GLY A 49 3.474 -9.054 -12.747 1.00 5.13 H new ATOM 0 HA2 GLY A 49 5.687 -8.377 -14.353 1.00 4.21 H new ATOM 0 HA3 GLY A 49 5.106 -9.981 -13.955 1.00 4.21 H new ATOM 803 N ASN A 50 3.061 -9.493 -16.020 1.00 23.23 N ATOM 804 CA ASN A 50 2.447 -9.606 -17.365 1.00 45.44 C ATOM 805 C ASN A 50 1.983 -8.222 -17.890 1.00 50.24 C ATOM 806 O ASN A 50 1.795 -8.056 -19.091 1.00 22.12 O ATOM 807 CB ASN A 50 1.254 -10.600 -17.340 1.00 51.22 C ATOM 808 CG ASN A 50 1.652 -12.018 -16.903 1.00 72.50 C ATOM 809 OD1 ASN A 50 2.772 -12.469 -17.133 1.00 25.12 O ATOM 810 ND2 ASN A 50 0.734 -12.737 -16.277 1.00 35.24 N ATOM 0 H ASN A 50 2.402 -9.643 -15.256 1.00 23.23 H new ATOM 0 HA ASN A 50 3.208 -9.988 -18.046 1.00 45.44 H new ATOM 0 HB2 ASN A 50 0.488 -10.221 -16.663 1.00 51.22 H new ATOM 0 HB3 ASN A 50 0.807 -10.646 -18.333 1.00 51.22 H new ATOM 0 HD21 ASN A 50 0.949 -13.687 -15.974 1.00 35.24 H new ATOM 0 HD22 ASN A 50 -0.189 -12.341 -16.097 1.00 35.24 H new ATOM 817 N GLY A 51 1.819 -7.227 -16.985 1.00 22.45 N ATOM 818 CA GLY A 51 1.350 -5.881 -17.371 1.00 10.31 C ATOM 819 C GLY A 51 -0.170 -5.789 -17.545 1.00 15.14 C ATOM 820 O GLY A 51 -0.662 -5.018 -18.375 1.00 72.41 O ATOM 0 H GLY A 51 2.005 -7.334 -15.988 1.00 22.45 H new ATOM 0 HA2 GLY A 51 1.665 -5.164 -16.613 1.00 10.31 H new ATOM 0 HA3 GLY A 51 1.833 -5.591 -18.304 1.00 10.31 H new ATOM 824 N GLU A 52 -0.915 -6.590 -16.761 1.00 43.11 N ATOM 825 CA GLU A 52 -2.402 -6.626 -16.807 1.00 13.53 C ATOM 826 C GLU A 52 -3.036 -5.579 -15.852 1.00 11.24 C ATOM 827 O GLU A 52 -4.205 -5.204 -16.009 1.00 63.33 O ATOM 828 CB GLU A 52 -2.911 -8.061 -16.470 1.00 21.10 C ATOM 829 CG GLU A 52 -2.291 -9.186 -17.333 1.00 52.21 C ATOM 830 CD GLU A 52 -2.374 -8.918 -18.852 1.00 73.31 C ATOM 831 OE1 GLU A 52 -3.482 -9.016 -19.425 1.00 64.54 O ATOM 832 OE2 GLU A 52 -1.340 -8.584 -19.478 1.00 12.32 O ATOM 0 H GLU A 52 -0.512 -7.231 -16.078 1.00 43.11 H new ATOM 0 HA GLU A 52 -2.712 -6.366 -17.819 1.00 13.53 H new ATOM 0 HB2 GLU A 52 -2.701 -8.269 -15.421 1.00 21.10 H new ATOM 0 HB3 GLU A 52 -3.994 -8.085 -16.589 1.00 21.10 H new ATOM 0 HG2 GLU A 52 -1.246 -9.314 -17.052 1.00 52.21 H new ATOM 0 HG3 GLU A 52 -2.798 -10.125 -17.110 1.00 52.21 H new ATOM 839 N ILE A 53 -2.238 -5.102 -14.874 1.00 31.42 N ATOM 840 CA ILE A 53 -2.647 -4.043 -13.909 1.00 35.52 C ATOM 841 C ILE A 53 -1.675 -2.847 -13.982 1.00 60.40 C ATOM 842 O ILE A 53 -0.576 -2.960 -14.542 1.00 64.44 O ATOM 843 CB ILE A 53 -2.701 -4.559 -12.411 1.00 43.03 C ATOM 844 CG1 ILE A 53 -1.275 -4.934 -11.872 1.00 74.10 C ATOM 845 CG2 ILE A 53 -3.688 -5.745 -12.277 1.00 52.40 C ATOM 846 CD1 ILE A 53 -1.223 -5.326 -10.401 1.00 3.05 C ATOM 0 H ILE A 53 -1.286 -5.438 -14.725 1.00 31.42 H new ATOM 0 HA ILE A 53 -3.654 -3.741 -14.198 1.00 35.52 H new ATOM 0 HB ILE A 53 -3.068 -3.741 -11.791 1.00 43.03 H new ATOM 0 HG12 ILE A 53 -0.885 -5.760 -12.466 1.00 74.10 H new ATOM 0 HG13 ILE A 53 -0.609 -4.085 -12.030 1.00 74.10 H new ATOM 0 HG21 ILE A 53 -3.710 -6.084 -11.241 1.00 52.40 H new ATOM 0 HG22 ILE A 53 -4.686 -5.423 -12.575 1.00 52.40 H new ATOM 0 HG23 ILE A 53 -3.363 -6.563 -12.920 1.00 52.40 H new ATOM 0 HD11 ILE A 53 -0.196 -5.567 -10.125 1.00 3.05 H new ATOM 0 HD12 ILE A 53 -1.578 -4.496 -9.790 1.00 3.05 H new ATOM 0 HD13 ILE A 53 -1.857 -6.196 -10.234 1.00 3.05 H new ATOM 858 N THR A 54 -2.093 -1.697 -13.427 1.00 2.44 N ATOM 859 CA THR A 54 -1.182 -0.555 -13.201 1.00 4.30 C ATOM 860 C THR A 54 -0.300 -0.822 -11.964 1.00 25.31 C ATOM 861 O THR A 54 -0.703 -1.548 -11.041 1.00 74.33 O ATOM 862 CB THR A 54 -1.956 0.799 -13.002 1.00 43.24 C ATOM 863 OG1 THR A 54 -2.758 0.756 -11.805 1.00 22.34 O ATOM 864 CG2 THR A 54 -2.854 1.119 -14.211 1.00 51.14 C ATOM 0 H THR A 54 -3.053 -1.531 -13.126 1.00 2.44 H new ATOM 0 HA THR A 54 -0.564 -0.458 -14.094 1.00 4.30 H new ATOM 0 HB THR A 54 -1.209 1.587 -12.908 1.00 43.24 H new ATOM 0 HG1 THR A 54 -3.231 1.608 -11.697 1.00 22.34 H new ATOM 0 HG21 THR A 54 -3.374 2.062 -14.039 1.00 51.14 H new ATOM 0 HG22 THR A 54 -2.241 1.201 -15.108 1.00 51.14 H new ATOM 0 HG23 THR A 54 -3.584 0.321 -14.343 1.00 51.14 H new ATOM 872 N VAL A 55 0.900 -0.227 -11.954 1.00 64.43 N ATOM 873 CA VAL A 55 1.827 -0.292 -10.801 1.00 54.21 C ATOM 874 C VAL A 55 1.199 0.409 -9.575 1.00 71.22 C ATOM 875 O VAL A 55 1.423 0.007 -8.444 1.00 14.21 O ATOM 876 CB VAL A 55 3.202 0.372 -11.158 1.00 35.33 C ATOM 877 CG1 VAL A 55 4.240 0.216 -10.020 1.00 21.11 C ATOM 878 CG2 VAL A 55 3.740 -0.182 -12.499 1.00 12.25 C ATOM 0 H VAL A 55 1.261 0.314 -12.740 1.00 64.43 H new ATOM 0 HA VAL A 55 2.004 -1.340 -10.559 1.00 54.21 H new ATOM 0 HB VAL A 55 3.031 1.442 -11.275 1.00 35.33 H new ATOM 0 HG11 VAL A 55 5.176 0.691 -10.313 1.00 21.11 H new ATOM 0 HG12 VAL A 55 3.861 0.689 -9.114 1.00 21.11 H new ATOM 0 HG13 VAL A 55 4.415 -0.843 -9.830 1.00 21.11 H new ATOM 0 HG21 VAL A 55 4.695 0.290 -12.731 1.00 12.25 H new ATOM 0 HG22 VAL A 55 3.878 -1.260 -12.418 1.00 12.25 H new ATOM 0 HG23 VAL A 55 3.026 0.033 -13.294 1.00 12.25 H new ATOM 888 N LYS A 56 0.396 1.448 -9.857 1.00 14.22 N ATOM 889 CA LYS A 56 -0.439 2.151 -8.857 1.00 13.34 C ATOM 890 C LYS A 56 -1.349 1.166 -8.087 1.00 43.32 C ATOM 891 O LYS A 56 -1.405 1.186 -6.854 1.00 50.43 O ATOM 892 CB LYS A 56 -1.275 3.240 -9.593 1.00 73.20 C ATOM 893 CG LYS A 56 -2.377 3.968 -8.773 1.00 42.10 C ATOM 894 CD LYS A 56 -3.786 3.342 -8.935 1.00 71.13 C ATOM 895 CE LYS A 56 -4.843 4.075 -8.103 1.00 64.34 C ATOM 896 NZ LYS A 56 -4.904 5.524 -8.428 1.00 14.41 N ATOM 0 H LYS A 56 0.304 1.832 -10.797 1.00 14.22 H new ATOM 0 HA LYS A 56 0.203 2.623 -8.113 1.00 13.34 H new ATOM 0 HB2 LYS A 56 -0.586 3.993 -9.975 1.00 73.20 H new ATOM 0 HB3 LYS A 56 -1.749 2.774 -10.457 1.00 73.20 H new ATOM 0 HG2 LYS A 56 -2.102 3.955 -7.718 1.00 42.10 H new ATOM 0 HG3 LYS A 56 -2.415 5.013 -9.080 1.00 42.10 H new ATOM 0 HD2 LYS A 56 -4.073 3.365 -9.986 1.00 71.13 H new ATOM 0 HD3 LYS A 56 -3.753 2.294 -8.636 1.00 71.13 H new ATOM 0 HE2 LYS A 56 -5.819 3.623 -8.278 1.00 64.34 H new ATOM 0 HE3 LYS A 56 -4.620 3.951 -7.043 1.00 64.34 H new ATOM 0 HZ1 LYS A 56 -5.894 5.843 -8.408 1.00 14.41 H new ATOM 0 HZ2 LYS A 56 -4.353 6.060 -7.728 1.00 14.41 H new ATOM 0 HZ3 LYS A 56 -4.508 5.684 -9.376 1.00 14.41 H new ATOM 910 N GLU A 57 -2.042 0.289 -8.839 1.00 13.51 N ATOM 911 CA GLU A 57 -2.989 -0.683 -8.265 1.00 70.43 C ATOM 912 C GLU A 57 -2.239 -1.794 -7.487 1.00 22.15 C ATOM 913 O GLU A 57 -2.709 -2.246 -6.436 1.00 41.23 O ATOM 914 CB GLU A 57 -3.876 -1.284 -9.383 1.00 62.35 C ATOM 915 CG GLU A 57 -4.943 -2.282 -8.881 1.00 33.31 C ATOM 916 CD GLU A 57 -5.970 -2.685 -9.954 1.00 62.14 C ATOM 917 OE1 GLU A 57 -5.570 -3.161 -11.037 1.00 41.01 O ATOM 918 OE2 GLU A 57 -7.187 -2.495 -9.734 1.00 45.03 O ATOM 0 H GLU A 57 -1.961 0.235 -9.854 1.00 13.51 H new ATOM 0 HA GLU A 57 -3.634 -0.165 -7.555 1.00 70.43 H new ATOM 0 HB2 GLU A 57 -4.375 -0.471 -9.911 1.00 62.35 H new ATOM 0 HB3 GLU A 57 -3.236 -1.788 -10.107 1.00 62.35 H new ATOM 0 HG2 GLU A 57 -4.444 -3.179 -8.514 1.00 33.31 H new ATOM 0 HG3 GLU A 57 -5.470 -1.841 -8.035 1.00 33.31 H new ATOM 925 N PHE A 58 -1.070 -2.221 -8.019 1.00 15.03 N ATOM 926 CA PHE A 58 -0.150 -3.160 -7.325 1.00 34.03 C ATOM 927 C PHE A 58 0.255 -2.621 -5.928 1.00 2.34 C ATOM 928 O PHE A 58 0.119 -3.324 -4.916 1.00 21.01 O ATOM 929 CB PHE A 58 1.114 -3.430 -8.189 1.00 32.22 C ATOM 930 CG PHE A 58 2.044 -4.495 -7.596 1.00 35.35 C ATOM 931 CD1 PHE A 58 1.763 -5.852 -7.758 1.00 33.05 C ATOM 932 CD2 PHE A 58 3.172 -4.142 -6.851 1.00 40.50 C ATOM 933 CE1 PHE A 58 2.577 -6.819 -7.199 1.00 51.14 C ATOM 934 CE2 PHE A 58 3.980 -5.112 -6.289 1.00 52.51 C ATOM 935 CZ PHE A 58 3.682 -6.450 -6.464 1.00 24.55 C ATOM 0 H PHE A 58 -0.737 -1.927 -8.937 1.00 15.03 H new ATOM 0 HA PHE A 58 -0.682 -4.101 -7.183 1.00 34.03 H new ATOM 0 HB2 PHE A 58 0.803 -3.745 -9.185 1.00 32.22 H new ATOM 0 HB3 PHE A 58 1.669 -2.499 -8.307 1.00 32.22 H new ATOM 0 HD1 PHE A 58 0.896 -6.151 -8.329 1.00 33.05 H new ATOM 0 HD2 PHE A 58 3.415 -3.099 -6.713 1.00 40.50 H new ATOM 0 HE1 PHE A 58 2.347 -7.865 -7.339 1.00 51.14 H new ATOM 0 HE2 PHE A 58 4.846 -4.824 -5.712 1.00 52.51 H new ATOM 0 HZ PHE A 58 4.315 -7.206 -6.025 1.00 24.55 H new ATOM 945 N ILE A 59 0.734 -1.361 -5.910 1.00 71.13 N ATOM 946 CA ILE A 59 1.108 -0.615 -4.686 1.00 14.53 C ATOM 947 C ILE A 59 -0.070 -0.541 -3.684 1.00 11.12 C ATOM 948 O ILE A 59 0.120 -0.683 -2.466 1.00 74.23 O ATOM 949 CB ILE A 59 1.611 0.832 -5.079 1.00 13.13 C ATOM 950 CG1 ILE A 59 2.991 0.761 -5.821 1.00 73.15 C ATOM 951 CG2 ILE A 59 1.674 1.806 -3.874 1.00 61.01 C ATOM 952 CD1 ILE A 59 4.114 0.133 -5.017 1.00 2.13 C ATOM 0 H ILE A 59 0.876 -0.820 -6.763 1.00 71.13 H new ATOM 0 HA ILE A 59 1.917 -1.149 -4.188 1.00 14.53 H new ATOM 0 HB ILE A 59 0.867 1.242 -5.762 1.00 13.13 H new ATOM 0 HG12 ILE A 59 2.863 0.195 -6.744 1.00 73.15 H new ATOM 0 HG13 ILE A 59 3.287 1.771 -6.105 1.00 73.15 H new ATOM 0 HG21 ILE A 59 2.027 2.781 -4.212 1.00 61.01 H new ATOM 0 HG22 ILE A 59 0.680 1.911 -3.438 1.00 61.01 H new ATOM 0 HG23 ILE A 59 2.360 1.412 -3.124 1.00 61.01 H new ATOM 0 HD11 ILE A 59 5.028 0.128 -5.611 1.00 2.13 H new ATOM 0 HD12 ILE A 59 4.276 0.710 -4.107 1.00 2.13 H new ATOM 0 HD13 ILE A 59 3.846 -0.890 -4.755 1.00 2.13 H new ATOM 964 N GLU A 60 -1.290 -0.365 -4.219 1.00 2.50 N ATOM 965 CA GLU A 60 -2.515 -0.327 -3.402 1.00 35.33 C ATOM 966 C GLU A 60 -2.805 -1.714 -2.773 1.00 74.13 C ATOM 967 O GLU A 60 -3.191 -1.798 -1.605 1.00 32.32 O ATOM 968 CB GLU A 60 -3.725 0.147 -4.237 1.00 43.33 C ATOM 969 CG GLU A 60 -4.976 0.438 -3.388 1.00 40.13 C ATOM 970 CD GLU A 60 -6.184 0.866 -4.220 1.00 24.21 C ATOM 971 OE1 GLU A 60 -6.191 2.009 -4.729 1.00 12.41 O ATOM 972 OE2 GLU A 60 -7.132 0.065 -4.377 1.00 25.05 O ATOM 0 H GLU A 60 -1.454 -0.246 -5.219 1.00 2.50 H new ATOM 0 HA GLU A 60 -2.353 0.390 -2.597 1.00 35.33 H new ATOM 0 HB2 GLU A 60 -3.449 1.048 -4.785 1.00 43.33 H new ATOM 0 HB3 GLU A 60 -3.967 -0.615 -4.978 1.00 43.33 H new ATOM 0 HG2 GLU A 60 -5.234 -0.454 -2.817 1.00 40.13 H new ATOM 0 HG3 GLU A 60 -4.743 1.222 -2.667 1.00 40.13 H new ATOM 979 N GLY A 61 -2.575 -2.803 -3.544 1.00 71.45 N ATOM 980 CA GLY A 61 -2.770 -4.178 -3.055 1.00 32.41 C ATOM 981 C GLY A 61 -1.755 -4.606 -1.982 1.00 62.43 C ATOM 982 O GLY A 61 -2.026 -5.518 -1.199 1.00 63.53 O ATOM 0 H GLY A 61 -2.253 -2.749 -4.510 1.00 71.45 H new ATOM 0 HA2 GLY A 61 -3.776 -4.269 -2.646 1.00 32.41 H new ATOM 0 HA3 GLY A 61 -2.705 -4.866 -3.898 1.00 32.41 H new ATOM 986 N LEU A 62 -0.582 -3.937 -1.960 1.00 44.00 N ATOM 987 CA LEU A 62 0.421 -4.070 -0.866 1.00 72.11 C ATOM 988 C LEU A 62 -0.124 -3.469 0.468 1.00 30.33 C ATOM 989 O LEU A 62 0.314 -3.829 1.567 1.00 25.14 O ATOM 990 CB LEU A 62 1.742 -3.365 -1.269 1.00 23.23 C ATOM 991 CG LEU A 62 2.417 -3.860 -2.590 1.00 55.31 C ATOM 992 CD1 LEU A 62 3.729 -3.104 -2.861 1.00 12.03 C ATOM 993 CD2 LEU A 62 2.651 -5.386 -2.581 1.00 60.21 C ATOM 0 H LEU A 62 -0.298 -3.290 -2.695 1.00 44.00 H new ATOM 0 HA LEU A 62 0.615 -5.131 -0.707 1.00 72.11 H new ATOM 0 HB2 LEU A 62 1.544 -2.297 -1.365 1.00 23.23 H new ATOM 0 HB3 LEU A 62 2.456 -3.485 -0.454 1.00 23.23 H new ATOM 0 HG LEU A 62 1.726 -3.642 -3.404 1.00 55.31 H new ATOM 0 HD11 LEU A 62 4.175 -3.470 -3.786 1.00 12.03 H new ATOM 0 HD12 LEU A 62 3.522 -2.038 -2.955 1.00 12.03 H new ATOM 0 HD13 LEU A 62 4.421 -3.268 -2.035 1.00 12.03 H new ATOM 0 HD21 LEU A 62 3.121 -5.687 -3.517 1.00 60.21 H new ATOM 0 HD22 LEU A 62 3.301 -5.650 -1.747 1.00 60.21 H new ATOM 0 HD23 LEU A 62 1.696 -5.900 -2.473 1.00 60.21 H new ATOM 1005 N GLY A 63 -1.095 -2.554 0.310 1.00 24.44 N ATOM 1006 CA GLY A 63 -1.825 -1.934 1.426 1.00 21.52 C ATOM 1007 C GLY A 63 -3.057 -2.743 1.862 1.00 13.14 C ATOM 1008 O GLY A 63 -3.635 -2.482 2.914 1.00 52.11 O ATOM 0 H GLY A 63 -1.397 -2.221 -0.606 1.00 24.44 H new ATOM 0 HA2 GLY A 63 -1.152 -1.822 2.276 1.00 21.52 H new ATOM 0 HA3 GLY A 63 -2.140 -0.932 1.135 1.00 21.52 H new ATOM 1012 N TYR A 64 -3.474 -3.708 1.021 1.00 32.33 N ATOM 1013 CA TYR A 64 -4.554 -4.681 1.345 1.00 4.21 C ATOM 1014 C TYR A 64 -3.966 -5.983 1.956 1.00 41.22 C ATOM 1015 O TYR A 64 -4.718 -6.879 2.365 1.00 33.34 O ATOM 1016 CB TYR A 64 -5.380 -5.017 0.060 1.00 42.45 C ATOM 1017 CG TYR A 64 -6.316 -3.896 -0.460 1.00 31.10 C ATOM 1018 CD1 TYR A 64 -5.928 -2.555 -0.468 1.00 45.53 C ATOM 1019 CD2 TYR A 64 -7.598 -4.192 -0.947 1.00 70.23 C ATOM 1020 CE1 TYR A 64 -6.766 -1.561 -0.939 1.00 15.20 C ATOM 1021 CE2 TYR A 64 -8.434 -3.197 -1.420 1.00 52.12 C ATOM 1022 CZ TYR A 64 -8.015 -1.885 -1.412 1.00 64.23 C ATOM 1023 OH TYR A 64 -8.844 -0.896 -1.897 1.00 1.20 O ATOM 0 H TYR A 64 -3.075 -3.842 0.092 1.00 32.33 H new ATOM 0 HA TYR A 64 -5.212 -4.224 2.084 1.00 4.21 H new ATOM 0 HB2 TYR A 64 -4.684 -5.280 -0.737 1.00 42.45 H new ATOM 0 HB3 TYR A 64 -5.983 -5.902 0.261 1.00 42.45 H new ATOM 0 HD1 TYR A 64 -4.950 -2.287 -0.097 1.00 45.53 H new ATOM 0 HD2 TYR A 64 -7.939 -5.217 -0.953 1.00 70.23 H new ATOM 0 HE1 TYR A 64 -6.439 -0.532 -0.935 1.00 15.20 H new ATOM 0 HE2 TYR A 64 -9.415 -3.449 -1.795 1.00 52.12 H new ATOM 0 HH TYR A 64 -8.446 -0.500 -2.700 1.00 1.20 H new ATOM 1033 N SER A 65 -2.621 -6.067 2.025 1.00 52.01 N ATOM 1034 CA SER A 65 -1.904 -7.261 2.533 1.00 13.40 C ATOM 1035 C SER A 65 -2.034 -7.366 4.061 1.00 72.33 C ATOM 1036 O SER A 65 -1.466 -6.542 4.784 1.00 70.52 O ATOM 1037 CB SER A 65 -0.409 -7.197 2.148 1.00 1.44 C ATOM 1038 OG SER A 65 -0.248 -7.077 0.752 1.00 60.23 O ATOM 0 H SER A 65 -2.001 -5.312 1.732 1.00 52.01 H new ATOM 0 HA SER A 65 -2.356 -8.142 2.078 1.00 13.40 H new ATOM 0 HB2 SER A 65 0.062 -6.349 2.646 1.00 1.44 H new ATOM 0 HB3 SER A 65 0.099 -8.095 2.500 1.00 1.44 H new ATOM 0 HG SER A 65 0.301 -7.818 0.421 1.00 60.23 H new ATOM 1044 N ASN A 66 -2.753 -8.396 4.546 1.00 13.24 N ATOM 1045 CA ASN A 66 -3.052 -8.556 5.991 1.00 72.34 C ATOM 1046 C ASN A 66 -1.757 -8.776 6.827 1.00 21.53 C ATOM 1047 O ASN A 66 -1.780 -8.598 8.036 1.00 44.23 O ATOM 1048 CB ASN A 66 -4.064 -9.708 6.216 1.00 2.13 C ATOM 1049 CG ASN A 66 -4.710 -9.699 7.613 1.00 14.23 C ATOM 1050 OD1 ASN A 66 -5.758 -9.097 7.824 1.00 63.52 O ATOM 1051 ND2 ASN A 66 -4.089 -10.352 8.574 1.00 41.45 N ATOM 0 H ASN A 66 -3.141 -9.135 3.960 1.00 13.24 H new ATOM 0 HA ASN A 66 -3.506 -7.628 6.339 1.00 72.34 H new ATOM 0 HB2 ASN A 66 -4.849 -9.643 5.462 1.00 2.13 H new ATOM 0 HB3 ASN A 66 -3.556 -10.661 6.066 1.00 2.13 H new ATOM 0 HD21 ASN A 66 -4.478 -10.364 9.517 1.00 41.45 H new ATOM 0 HD22 ASN A 66 -3.219 -10.846 8.375 1.00 41.45 H new ATOM 1058 N LEU A 67 -0.641 -9.165 6.166 1.00 25.54 N ATOM 1059 CA LEU A 67 0.706 -9.189 6.797 1.00 35.10 C ATOM 1060 C LEU A 67 1.110 -7.764 7.271 1.00 52.14 C ATOM 1061 O LEU A 67 1.453 -7.560 8.442 1.00 10.54 O ATOM 1062 CB LEU A 67 1.760 -9.743 5.796 1.00 53.32 C ATOM 1063 CG LEU A 67 3.216 -9.914 6.351 1.00 13.41 C ATOM 1064 CD1 LEU A 67 3.259 -10.925 7.520 1.00 10.50 C ATOM 1065 CD2 LEU A 67 4.206 -10.311 5.226 1.00 14.04 C ATOM 0 H LEU A 67 -0.645 -9.468 5.192 1.00 25.54 H new ATOM 0 HA LEU A 67 0.670 -9.846 7.666 1.00 35.10 H new ATOM 0 HB2 LEU A 67 1.414 -10.712 5.435 1.00 53.32 H new ATOM 0 HB3 LEU A 67 1.798 -9.077 4.934 1.00 53.32 H new ATOM 0 HG LEU A 67 3.533 -8.947 6.742 1.00 13.41 H new ATOM 0 HD11 LEU A 67 4.283 -11.020 7.881 1.00 10.50 H new ATOM 0 HD12 LEU A 67 2.620 -10.573 8.329 1.00 10.50 H new ATOM 0 HD13 LEU A 67 2.905 -11.896 7.174 1.00 10.50 H new ATOM 0 HD21 LEU A 67 5.207 -10.422 5.644 1.00 14.04 H new ATOM 0 HD22 LEU A 67 3.892 -11.255 4.782 1.00 14.04 H new ATOM 0 HD23 LEU A 67 4.217 -9.535 4.460 1.00 14.04 H new ATOM 1077 N TYR A 68 1.007 -6.788 6.340 1.00 3.21 N ATOM 1078 CA TYR A 68 1.249 -5.349 6.616 1.00 34.21 C ATOM 1079 C TYR A 68 0.294 -4.798 7.702 1.00 55.22 C ATOM 1080 O TYR A 68 0.733 -4.087 8.599 1.00 43.14 O ATOM 1081 CB TYR A 68 1.106 -4.517 5.304 1.00 53.42 C ATOM 1082 CG TYR A 68 1.124 -2.984 5.491 1.00 1.15 C ATOM 1083 CD1 TYR A 68 2.305 -2.298 5.799 1.00 54.41 C ATOM 1084 CD2 TYR A 68 -0.052 -2.232 5.388 1.00 45.45 C ATOM 1085 CE1 TYR A 68 2.305 -0.927 5.999 1.00 12.05 C ATOM 1086 CE2 TYR A 68 -0.052 -0.864 5.580 1.00 60.13 C ATOM 1087 CZ TYR A 68 1.123 -0.217 5.888 1.00 41.21 C ATOM 1088 OH TYR A 68 1.112 1.147 6.102 1.00 4.34 O ATOM 0 H TYR A 68 0.752 -6.975 5.370 1.00 3.21 H new ATOM 0 HA TYR A 68 2.267 -5.256 6.995 1.00 34.21 H new ATOM 0 HB2 TYR A 68 1.915 -4.794 4.628 1.00 53.42 H new ATOM 0 HB3 TYR A 68 0.172 -4.796 4.816 1.00 53.42 H new ATOM 0 HD1 TYR A 68 3.232 -2.847 5.882 1.00 54.41 H new ATOM 0 HD2 TYR A 68 -0.980 -2.732 5.153 1.00 45.45 H new ATOM 0 HE1 TYR A 68 3.224 -0.415 6.241 1.00 12.05 H new ATOM 0 HE2 TYR A 68 -0.971 -0.304 5.489 1.00 60.13 H new ATOM 0 HH TYR A 68 1.951 1.536 5.777 1.00 4.34 H new ATOM 1098 N LEU A 69 -1.010 -5.119 7.603 1.00 52.41 N ATOM 1099 CA LEU A 69 -2.020 -4.636 8.577 1.00 33.05 C ATOM 1100 C LEU A 69 -1.879 -5.316 9.955 1.00 43.21 C ATOM 1101 O LEU A 69 -2.233 -4.728 10.972 1.00 51.35 O ATOM 1102 CB LEU A 69 -3.477 -4.766 8.039 1.00 74.32 C ATOM 1103 CG LEU A 69 -3.891 -3.779 6.891 1.00 20.13 C ATOM 1104 CD1 LEU A 69 -3.360 -2.352 7.147 1.00 4.32 C ATOM 1105 CD2 LEU A 69 -3.464 -4.276 5.506 1.00 70.11 C ATOM 0 H LEU A 69 -1.392 -5.708 6.863 1.00 52.41 H new ATOM 0 HA LEU A 69 -1.816 -3.574 8.713 1.00 33.05 H new ATOM 0 HB2 LEU A 69 -3.618 -5.785 7.680 1.00 74.32 H new ATOM 0 HB3 LEU A 69 -4.163 -4.625 8.874 1.00 74.32 H new ATOM 0 HG LEU A 69 -4.980 -3.743 6.899 1.00 20.13 H new ATOM 0 HD11 LEU A 69 -3.667 -1.698 6.331 1.00 4.32 H new ATOM 0 HD12 LEU A 69 -3.766 -1.976 8.086 1.00 4.32 H new ATOM 0 HD13 LEU A 69 -2.272 -2.374 7.205 1.00 4.32 H new ATOM 0 HD21 LEU A 69 -3.775 -3.556 4.749 1.00 70.11 H new ATOM 0 HD22 LEU A 69 -2.380 -4.387 5.478 1.00 70.11 H new ATOM 0 HD23 LEU A 69 -3.933 -5.239 5.305 1.00 70.11 H new ATOM 1117 N LYS A 70 -1.386 -6.555 9.993 1.00 22.00 N ATOM 1118 CA LYS A 70 -1.070 -7.242 11.265 1.00 21.41 C ATOM 1119 C LYS A 70 0.081 -6.516 12.004 1.00 42.40 C ATOM 1120 O LYS A 70 0.068 -6.385 13.230 1.00 73.44 O ATOM 1121 CB LYS A 70 -0.703 -8.720 10.984 1.00 45.22 C ATOM 1122 CG LYS A 70 -0.371 -9.563 12.235 1.00 70.54 C ATOM 1123 CD LYS A 70 -0.058 -11.040 11.898 1.00 63.34 C ATOM 1124 CE LYS A 70 1.118 -11.205 10.914 1.00 52.14 C ATOM 1125 NZ LYS A 70 1.454 -12.635 10.700 1.00 33.14 N ATOM 0 H LYS A 70 -1.193 -7.112 9.160 1.00 22.00 H new ATOM 0 HA LYS A 70 -1.948 -7.218 11.911 1.00 21.41 H new ATOM 0 HB2 LYS A 70 -1.534 -9.191 10.458 1.00 45.22 H new ATOM 0 HB3 LYS A 70 0.154 -8.744 10.311 1.00 45.22 H new ATOM 0 HG2 LYS A 70 0.485 -9.123 12.747 1.00 70.54 H new ATOM 0 HG3 LYS A 70 -1.212 -9.524 12.927 1.00 70.54 H new ATOM 0 HD2 LYS A 70 0.171 -11.575 12.820 1.00 63.34 H new ATOM 0 HD3 LYS A 70 -0.947 -11.505 11.472 1.00 63.34 H new ATOM 0 HE2 LYS A 70 0.863 -10.744 9.960 1.00 52.14 H new ATOM 0 HE3 LYS A 70 1.992 -10.679 11.299 1.00 52.14 H new ATOM 0 HZ1 LYS A 70 2.249 -12.709 10.033 1.00 33.14 H new ATOM 0 HZ2 LYS A 70 1.721 -13.068 11.607 1.00 33.14 H new ATOM 0 HZ3 LYS A 70 0.627 -13.131 10.310 1.00 33.14 H new ATOM 1139 N GLU A 71 1.067 -6.048 11.227 1.00 53.44 N ATOM 1140 CA GLU A 71 2.217 -5.285 11.748 1.00 30.44 C ATOM 1141 C GLU A 71 1.852 -3.823 12.154 1.00 53.23 C ATOM 1142 O GLU A 71 2.080 -3.424 13.295 1.00 14.42 O ATOM 1143 CB GLU A 71 3.349 -5.281 10.686 1.00 34.22 C ATOM 1144 CG GLU A 71 3.901 -6.685 10.348 1.00 34.33 C ATOM 1145 CD GLU A 71 5.041 -6.664 9.315 1.00 65.54 C ATOM 1146 OE1 GLU A 71 6.091 -6.045 9.600 1.00 15.34 O ATOM 1147 OE2 GLU A 71 4.906 -7.272 8.229 1.00 1.22 O ATOM 0 H GLU A 71 1.093 -6.186 10.217 1.00 53.44 H new ATOM 0 HA GLU A 71 2.550 -5.780 12.660 1.00 30.44 H new ATOM 0 HB2 GLU A 71 2.974 -4.820 9.772 1.00 34.22 H new ATOM 0 HB3 GLU A 71 4.167 -4.657 11.045 1.00 34.22 H new ATOM 0 HG2 GLU A 71 4.260 -7.156 11.263 1.00 34.33 H new ATOM 0 HG3 GLU A 71 3.088 -7.304 9.968 1.00 34.33 H new ATOM 1154 N PHE A 72 1.258 -3.050 11.223 1.00 33.23 N ATOM 1155 CA PHE A 72 1.071 -1.571 11.363 1.00 60.21 C ATOM 1156 C PHE A 72 -0.419 -1.120 11.398 1.00 71.25 C ATOM 1157 O PHE A 72 -0.754 -0.032 10.909 1.00 1.55 O ATOM 1158 CB PHE A 72 1.845 -0.856 10.210 1.00 14.15 C ATOM 1159 CG PHE A 72 3.362 -1.057 10.273 1.00 12.01 C ATOM 1160 CD1 PHE A 72 4.109 -0.451 11.282 1.00 15.41 C ATOM 1161 CD2 PHE A 72 4.036 -1.845 9.336 1.00 42.41 C ATOM 1162 CE1 PHE A 72 5.476 -0.635 11.362 1.00 62.53 C ATOM 1163 CE2 PHE A 72 5.405 -2.026 9.417 1.00 33.14 C ATOM 1164 CZ PHE A 72 6.125 -1.417 10.427 1.00 5.33 C ATOM 0 H PHE A 72 0.890 -3.423 10.348 1.00 33.23 H new ATOM 0 HA PHE A 72 1.475 -1.283 12.334 1.00 60.21 H new ATOM 0 HB2 PHE A 72 1.477 -1.226 9.253 1.00 14.15 H new ATOM 0 HB3 PHE A 72 1.627 0.211 10.244 1.00 14.15 H new ATOM 0 HD1 PHE A 72 3.612 0.171 12.012 1.00 15.41 H new ATOM 0 HD2 PHE A 72 3.481 -2.318 8.539 1.00 42.41 H new ATOM 0 HE1 PHE A 72 6.038 -0.167 12.157 1.00 62.53 H new ATOM 0 HE2 PHE A 72 5.912 -2.644 8.690 1.00 33.14 H new ATOM 0 HZ PHE A 72 7.195 -1.553 10.485 1.00 5.33 H new ATOM 1174 N TYR A 73 -1.291 -1.922 12.039 1.00 72.21 N ATOM 1175 CA TYR A 73 -2.737 -1.587 12.191 1.00 64.24 C ATOM 1176 C TYR A 73 -3.382 -2.371 13.363 1.00 31.32 C ATOM 1177 O TYR A 73 -4.157 -1.811 14.142 1.00 3.41 O ATOM 1178 CB TYR A 73 -3.487 -1.840 10.844 1.00 53.43 C ATOM 1179 CG TYR A 73 -5.022 -1.819 10.912 1.00 22.21 C ATOM 1180 CD1 TYR A 73 -5.719 -0.635 11.143 1.00 54.31 C ATOM 1181 CD2 TYR A 73 -5.770 -2.994 10.754 1.00 21.22 C ATOM 1182 CE1 TYR A 73 -7.094 -0.621 11.211 1.00 30.14 C ATOM 1183 CE2 TYR A 73 -7.148 -2.979 10.820 1.00 64.10 C ATOM 1184 CZ TYR A 73 -7.805 -1.792 11.052 1.00 62.32 C ATOM 1185 OH TYR A 73 -9.183 -1.774 11.127 1.00 62.24 O ATOM 0 H TYR A 73 -1.027 -2.811 12.464 1.00 72.21 H new ATOM 0 HA TYR A 73 -2.824 -0.529 12.438 1.00 64.24 H new ATOM 0 HB2 TYR A 73 -3.165 -1.087 10.125 1.00 53.43 H new ATOM 0 HB3 TYR A 73 -3.174 -2.808 10.453 1.00 53.43 H new ATOM 0 HD1 TYR A 73 -5.172 0.287 11.271 1.00 54.31 H new ATOM 0 HD2 TYR A 73 -5.258 -3.928 10.577 1.00 21.22 H new ATOM 0 HE1 TYR A 73 -7.616 0.307 11.389 1.00 30.14 H new ATOM 0 HE2 TYR A 73 -7.708 -3.893 10.690 1.00 64.10 H new ATOM 0 HH TYR A 73 -9.530 -2.681 10.992 1.00 62.24 H new ATOM 1195 N THR A 74 -3.059 -3.667 13.475 1.00 34.12 N ATOM 1196 CA THR A 74 -3.608 -4.552 14.538 1.00 30.52 C ATOM 1197 C THR A 74 -3.131 -4.139 15.973 1.00 32.11 C ATOM 1198 O THR A 74 -3.959 -4.083 16.886 1.00 73.20 O ATOM 1199 CB THR A 74 -3.291 -6.065 14.244 1.00 23.31 C ATOM 1200 OG1 THR A 74 -3.847 -6.428 12.968 1.00 22.10 O ATOM 1201 CG2 THR A 74 -3.842 -7.026 15.322 1.00 3.12 C ATOM 0 H THR A 74 -2.415 -4.139 12.841 1.00 34.12 H new ATOM 0 HA THR A 74 -4.690 -4.424 14.520 1.00 30.52 H new ATOM 0 HB THR A 74 -2.206 -6.165 14.247 1.00 23.31 H new ATOM 0 HG1 THR A 74 -3.483 -5.840 12.273 1.00 22.10 H new ATOM 0 HG21 THR A 74 -3.589 -8.053 15.058 1.00 3.12 H new ATOM 0 HG22 THR A 74 -3.401 -6.780 16.288 1.00 3.12 H new ATOM 0 HG23 THR A 74 -4.926 -6.924 15.381 1.00 3.12 H new ATOM 1209 N PRO A 75 -1.800 -3.835 16.221 1.00 1.33 N ATOM 1210 CA PRO A 75 -1.335 -3.284 17.518 1.00 72.21 C ATOM 1211 C PRO A 75 -1.220 -1.727 17.533 1.00 41.44 C ATOM 1212 O PRO A 75 -0.655 -1.158 18.468 1.00 63.32 O ATOM 1213 CB PRO A 75 0.044 -3.967 17.655 1.00 60.25 C ATOM 1214 CG PRO A 75 0.577 -4.037 16.250 1.00 55.31 C ATOM 1215 CD PRO A 75 -0.632 -4.033 15.315 1.00 10.34 C ATOM 0 HA PRO A 75 -2.026 -3.478 18.339 1.00 72.21 H new ATOM 0 HB2 PRO A 75 0.707 -3.393 18.302 1.00 60.25 H new ATOM 0 HB3 PRO A 75 -0.048 -4.961 18.094 1.00 60.25 H new ATOM 0 HG2 PRO A 75 1.229 -3.189 16.042 1.00 55.31 H new ATOM 0 HG3 PRO A 75 1.172 -4.939 16.107 1.00 55.31 H new ATOM 0 HD2 PRO A 75 -0.561 -3.234 14.577 1.00 10.34 H new ATOM 0 HD3 PRO A 75 -0.711 -4.970 14.763 1.00 10.34 H new ATOM 1223 N TYR A 76 -1.778 -1.045 16.504 1.00 33.51 N ATOM 1224 CA TYR A 76 -1.701 0.440 16.368 1.00 5.11 C ATOM 1225 C TYR A 76 -3.114 1.092 16.288 1.00 2.41 C ATOM 1226 O TYR A 76 -4.006 0.544 15.639 1.00 72.23 O ATOM 1227 CB TYR A 76 -0.866 0.824 15.111 1.00 31.23 C ATOM 1228 CG TYR A 76 0.651 0.565 15.249 1.00 41.33 C ATOM 1229 CD1 TYR A 76 1.221 -0.654 14.889 1.00 52.32 C ATOM 1230 CD2 TYR A 76 1.511 1.552 15.740 1.00 31.23 C ATOM 1231 CE1 TYR A 76 2.582 -0.877 15.012 1.00 40.44 C ATOM 1232 CE2 TYR A 76 2.869 1.335 15.862 1.00 45.51 C ATOM 1233 CZ TYR A 76 3.400 0.123 15.496 1.00 73.43 C ATOM 1234 OH TYR A 76 4.757 -0.098 15.623 1.00 21.31 O ATOM 0 H TYR A 76 -2.291 -1.499 15.748 1.00 33.51 H new ATOM 0 HA TYR A 76 -1.209 0.824 17.262 1.00 5.11 H new ATOM 0 HB2 TYR A 76 -1.242 0.263 14.255 1.00 31.23 H new ATOM 0 HB3 TYR A 76 -1.024 1.880 14.894 1.00 31.23 H new ATOM 0 HD1 TYR A 76 0.588 -1.441 14.506 1.00 52.32 H new ATOM 0 HD2 TYR A 76 1.103 2.508 16.031 1.00 31.23 H new ATOM 0 HE1 TYR A 76 3.002 -1.831 14.730 1.00 40.44 H new ATOM 0 HE2 TYR A 76 3.511 2.115 16.244 1.00 45.51 H new ATOM 0 HH TYR A 76 5.188 0.708 15.977 1.00 21.31 H new ATOM 1244 N PRO A 77 -3.333 2.288 16.943 1.00 62.12 N ATOM 1245 CA PRO A 77 -4.629 3.032 16.867 1.00 71.31 C ATOM 1246 C PRO A 77 -4.839 3.724 15.494 1.00 44.53 C ATOM 1247 O PRO A 77 -3.862 3.993 14.788 1.00 33.42 O ATOM 1248 CB PRO A 77 -4.492 4.062 18.016 1.00 72.35 C ATOM 1249 CG PRO A 77 -3.023 4.341 18.085 1.00 25.31 C ATOM 1250 CD PRO A 77 -2.348 3.010 17.810 1.00 0.04 C ATOM 0 HA PRO A 77 -5.498 2.381 16.965 1.00 71.31 H new ATOM 0 HB2 PRO A 77 -5.060 4.969 17.808 1.00 72.35 H new ATOM 0 HB3 PRO A 77 -4.866 3.660 18.958 1.00 72.35 H new ATOM 0 HG2 PRO A 77 -2.730 5.090 17.349 1.00 25.31 H new ATOM 0 HG3 PRO A 77 -2.742 4.729 19.064 1.00 25.31 H new ATOM 0 HD2 PRO A 77 -1.391 3.143 17.305 1.00 0.04 H new ATOM 0 HD3 PRO A 77 -2.149 2.463 18.732 1.00 0.04 H new ATOM 1258 N ASN A 78 -6.116 4.049 15.163 1.00 45.13 N ATOM 1259 CA ASN A 78 -6.516 4.609 13.840 1.00 51.04 C ATOM 1260 C ASN A 78 -5.642 5.814 13.401 1.00 53.24 C ATOM 1261 O ASN A 78 -5.092 5.802 12.299 1.00 34.44 O ATOM 1262 CB ASN A 78 -8.018 5.018 13.838 1.00 61.40 C ATOM 1263 CG ASN A 78 -8.991 3.834 13.893 1.00 53.43 C ATOM 1264 OD1 ASN A 78 -8.695 2.782 14.450 1.00 71.11 O ATOM 1265 ND2 ASN A 78 -10.168 3.998 13.312 1.00 42.13 N ATOM 0 H ASN A 78 -6.900 3.931 15.805 1.00 45.13 H new ATOM 0 HA ASN A 78 -6.356 3.811 13.115 1.00 51.04 H new ATOM 0 HB2 ASN A 78 -8.207 5.669 14.691 1.00 61.40 H new ATOM 0 HB3 ASN A 78 -8.223 5.601 12.940 1.00 61.40 H new ATOM 0 HD21 ASN A 78 -10.851 3.241 13.321 1.00 42.13 H new ATOM 0 HD22 ASN A 78 -10.392 4.882 12.855 1.00 42.13 H new ATOM 1272 N THR A 79 -5.506 6.835 14.274 1.00 74.21 N ATOM 1273 CA THR A 79 -4.666 8.040 14.023 1.00 15.31 C ATOM 1274 C THR A 79 -3.189 7.714 13.644 1.00 4.41 C ATOM 1275 O THR A 79 -2.624 8.341 12.732 1.00 73.34 O ATOM 1276 CB THR A 79 -4.704 8.965 15.290 1.00 41.43 C ATOM 1277 OG1 THR A 79 -6.073 9.297 15.600 1.00 32.22 O ATOM 1278 CG2 THR A 79 -3.905 10.270 15.121 1.00 1.35 C ATOM 0 H THR A 79 -5.976 6.853 15.179 1.00 74.21 H new ATOM 0 HA THR A 79 -5.091 8.546 13.156 1.00 15.31 H new ATOM 0 HB THR A 79 -4.237 8.403 16.098 1.00 41.43 H new ATOM 0 HG1 THR A 79 -6.098 9.873 16.392 1.00 32.22 H new ATOM 0 HG21 THR A 79 -3.975 10.860 16.035 1.00 1.35 H new ATOM 0 HG22 THR A 79 -2.860 10.033 14.921 1.00 1.35 H new ATOM 0 HG23 THR A 79 -4.314 10.841 14.288 1.00 1.35 H new ATOM 1286 N LYS A 80 -2.569 6.748 14.352 1.00 1.34 N ATOM 1287 CA LYS A 80 -1.193 6.286 14.026 1.00 23.40 C ATOM 1288 C LYS A 80 -1.115 5.594 12.638 1.00 31.34 C ATOM 1289 O LYS A 80 -0.136 5.768 11.906 1.00 51.20 O ATOM 1290 CB LYS A 80 -0.642 5.333 15.116 1.00 33.41 C ATOM 1291 CG LYS A 80 0.827 4.894 14.882 1.00 43.41 C ATOM 1292 CD LYS A 80 1.829 6.070 14.963 1.00 50.15 C ATOM 1293 CE LYS A 80 3.286 5.636 14.716 1.00 2.12 C ATOM 1294 NZ LYS A 80 4.222 6.793 14.731 1.00 55.45 N ATOM 0 H LYS A 80 -2.991 6.272 15.149 1.00 1.34 H new ATOM 0 HA LYS A 80 -0.573 7.182 13.991 1.00 23.40 H new ATOM 0 HB2 LYS A 80 -0.714 5.826 16.086 1.00 33.41 H new ATOM 0 HB3 LYS A 80 -1.273 4.446 15.162 1.00 33.41 H new ATOM 0 HG2 LYS A 80 1.098 4.141 15.622 1.00 43.41 H new ATOM 0 HG3 LYS A 80 0.908 4.422 13.903 1.00 43.41 H new ATOM 0 HD2 LYS A 80 1.552 6.828 14.230 1.00 50.15 H new ATOM 0 HD3 LYS A 80 1.756 6.536 15.946 1.00 50.15 H new ATOM 0 HE2 LYS A 80 3.585 4.918 15.480 1.00 2.12 H new ATOM 0 HE3 LYS A 80 3.355 5.126 13.755 1.00 2.12 H new ATOM 0 HZ1 LYS A 80 5.190 6.454 14.901 1.00 55.45 H new ATOM 0 HZ2 LYS A 80 4.183 7.283 13.814 1.00 55.45 H new ATOM 0 HZ3 LYS A 80 3.948 7.452 15.488 1.00 55.45 H new ATOM 1308 N VAL A 81 -2.166 4.839 12.282 1.00 4.42 N ATOM 1309 CA VAL A 81 -2.244 4.135 10.980 1.00 5.11 C ATOM 1310 C VAL A 81 -2.380 5.162 9.822 1.00 40.14 C ATOM 1311 O VAL A 81 -1.963 4.901 8.694 1.00 62.34 O ATOM 1312 CB VAL A 81 -3.443 3.111 10.962 1.00 54.02 C ATOM 1313 CG1 VAL A 81 -3.494 2.308 9.638 1.00 11.32 C ATOM 1314 CG2 VAL A 81 -3.366 2.155 12.177 1.00 75.21 C ATOM 0 H VAL A 81 -2.981 4.696 12.878 1.00 4.42 H new ATOM 0 HA VAL A 81 -1.322 3.571 10.839 1.00 5.11 H new ATOM 0 HB VAL A 81 -4.365 3.688 11.031 1.00 54.02 H new ATOM 0 HG11 VAL A 81 -4.334 1.614 9.666 1.00 11.32 H new ATOM 0 HG12 VAL A 81 -3.618 2.995 8.801 1.00 11.32 H new ATOM 0 HG13 VAL A 81 -2.566 1.750 9.515 1.00 11.32 H new ATOM 0 HG21 VAL A 81 -4.203 1.457 12.145 1.00 75.21 H new ATOM 0 HG22 VAL A 81 -2.429 1.600 12.144 1.00 75.21 H new ATOM 0 HG23 VAL A 81 -3.412 2.734 13.099 1.00 75.21 H new ATOM 1324 N ILE A 82 -2.949 6.345 10.144 1.00 31.24 N ATOM 1325 CA ILE A 82 -3.098 7.467 9.193 1.00 14.54 C ATOM 1326 C ILE A 82 -1.737 8.089 8.816 1.00 74.43 C ATOM 1327 O ILE A 82 -1.425 8.215 7.617 1.00 33.11 O ATOM 1328 CB ILE A 82 -4.063 8.563 9.780 1.00 31.42 C ATOM 1329 CG1 ILE A 82 -5.485 7.953 9.978 1.00 70.02 C ATOM 1330 CG2 ILE A 82 -4.118 9.847 8.898 1.00 30.23 C ATOM 1331 CD1 ILE A 82 -6.428 8.812 10.782 1.00 31.33 C ATOM 0 H ILE A 82 -3.318 6.548 11.073 1.00 31.24 H new ATOM 0 HA ILE A 82 -3.535 7.064 8.280 1.00 14.54 H new ATOM 0 HB ILE A 82 -3.666 8.877 10.746 1.00 31.42 H new ATOM 0 HG12 ILE A 82 -5.927 7.769 8.999 1.00 70.02 H new ATOM 0 HG13 ILE A 82 -5.386 6.985 10.470 1.00 70.02 H new ATOM 0 HG21 ILE A 82 -4.798 10.569 9.349 1.00 30.23 H new ATOM 0 HG22 ILE A 82 -3.121 10.282 8.827 1.00 30.23 H new ATOM 0 HG23 ILE A 82 -4.473 9.588 7.900 1.00 30.23 H new ATOM 0 HD11 ILE A 82 -7.392 8.311 10.869 1.00 31.33 H new ATOM 0 HD12 ILE A 82 -6.013 8.976 11.776 1.00 31.33 H new ATOM 0 HD13 ILE A 82 -6.562 9.771 10.282 1.00 31.33 H new ATOM 1343 N GLU A 83 -0.919 8.479 9.828 1.00 1.54 N ATOM 1344 CA GLU A 83 0.429 9.034 9.560 1.00 3.33 C ATOM 1345 C GLU A 83 1.344 7.973 8.907 1.00 10.32 C ATOM 1346 O GLU A 83 2.040 8.277 7.948 1.00 65.03 O ATOM 1347 CB GLU A 83 1.117 9.626 10.826 1.00 63.41 C ATOM 1348 CG GLU A 83 1.491 8.602 11.920 1.00 61.01 C ATOM 1349 CD GLU A 83 2.593 9.101 12.866 1.00 20.44 C ATOM 1350 OE1 GLU A 83 3.791 8.896 12.552 1.00 32.43 O ATOM 1351 OE2 GLU A 83 2.275 9.691 13.920 1.00 53.30 O ATOM 0 H GLU A 83 -1.164 8.421 10.816 1.00 1.54 H new ATOM 0 HA GLU A 83 0.278 9.861 8.866 1.00 3.33 H new ATOM 0 HB2 GLU A 83 2.023 10.147 10.516 1.00 63.41 H new ATOM 0 HB3 GLU A 83 0.454 10.372 11.263 1.00 63.41 H new ATOM 0 HG2 GLU A 83 0.602 8.362 12.503 1.00 61.01 H new ATOM 0 HG3 GLU A 83 1.820 7.677 11.446 1.00 61.01 H new ATOM 1358 N LEU A 84 1.311 6.720 9.424 1.00 63.41 N ATOM 1359 CA LEU A 84 2.067 5.582 8.852 1.00 71.45 C ATOM 1360 C LEU A 84 1.642 5.303 7.391 1.00 42.25 C ATOM 1361 O LEU A 84 2.488 5.091 6.534 1.00 33.03 O ATOM 1362 CB LEU A 84 1.904 4.301 9.745 1.00 50.34 C ATOM 1363 CG LEU A 84 2.830 4.210 11.001 1.00 73.22 C ATOM 1364 CD1 LEU A 84 2.494 2.967 11.862 1.00 54.31 C ATOM 1365 CD2 LEU A 84 4.327 4.216 10.599 1.00 21.32 C ATOM 0 H LEU A 84 0.761 6.472 10.246 1.00 63.41 H new ATOM 0 HA LEU A 84 3.123 5.853 8.840 1.00 71.45 H new ATOM 0 HB2 LEU A 84 0.868 4.246 10.079 1.00 50.34 H new ATOM 0 HB3 LEU A 84 2.085 3.425 9.122 1.00 50.34 H new ATOM 0 HG LEU A 84 2.643 5.096 11.608 1.00 73.22 H new ATOM 0 HD11 LEU A 84 3.156 2.934 12.727 1.00 54.31 H new ATOM 0 HD12 LEU A 84 1.459 3.027 12.199 1.00 54.31 H new ATOM 0 HD13 LEU A 84 2.630 2.064 11.266 1.00 54.31 H new ATOM 0 HD21 LEU A 84 4.945 4.152 11.495 1.00 21.32 H new ATOM 0 HD22 LEU A 84 4.534 3.362 9.954 1.00 21.32 H new ATOM 0 HD23 LEU A 84 4.557 5.138 10.065 1.00 21.32 H new ATOM 1377 N GLY A 85 0.330 5.378 7.119 1.00 62.33 N ATOM 1378 CA GLY A 85 -0.215 5.124 5.778 1.00 74.04 C ATOM 1379 C GLY A 85 0.263 6.149 4.740 1.00 1.55 C ATOM 1380 O GLY A 85 0.801 5.776 3.693 1.00 52.32 O ATOM 0 H GLY A 85 -0.377 5.614 7.816 1.00 62.33 H new ATOM 0 HA2 GLY A 85 0.076 4.124 5.456 1.00 74.04 H new ATOM 0 HA3 GLY A 85 -1.304 5.140 5.824 1.00 74.04 H new ATOM 1384 N THR A 86 0.115 7.447 5.065 1.00 30.34 N ATOM 1385 CA THR A 86 0.497 8.568 4.169 1.00 51.54 C ATOM 1386 C THR A 86 2.038 8.635 3.980 1.00 3.00 C ATOM 1387 O THR A 86 2.529 8.943 2.898 1.00 61.22 O ATOM 1388 CB THR A 86 -0.026 9.922 4.762 1.00 14.43 C ATOM 1389 OG1 THR A 86 -1.441 9.830 5.014 1.00 64.00 O ATOM 1390 CG2 THR A 86 0.236 11.129 3.844 1.00 42.32 C ATOM 0 H THR A 86 -0.273 7.754 5.957 1.00 30.34 H new ATOM 0 HA THR A 86 0.042 8.396 3.193 1.00 51.54 H new ATOM 0 HB THR A 86 0.527 10.087 5.686 1.00 14.43 H new ATOM 0 HG1 THR A 86 -1.594 9.337 5.847 1.00 64.00 H new ATOM 0 HG21 THR A 86 -0.150 12.034 4.313 1.00 42.32 H new ATOM 0 HG22 THR A 86 1.308 11.235 3.679 1.00 42.32 H new ATOM 0 HG23 THR A 86 -0.264 10.974 2.888 1.00 42.32 H new ATOM 1398 N LYS A 87 2.776 8.358 5.069 1.00 60.45 N ATOM 1399 CA LYS A 87 4.261 8.218 5.075 1.00 24.51 C ATOM 1400 C LYS A 87 4.773 7.184 4.031 1.00 31.33 C ATOM 1401 O LYS A 87 5.841 7.364 3.435 1.00 61.44 O ATOM 1402 CB LYS A 87 4.709 7.774 6.501 1.00 22.42 C ATOM 1403 CG LYS A 87 6.200 7.970 6.846 1.00 74.41 C ATOM 1404 CD LYS A 87 6.592 7.327 8.212 1.00 53.15 C ATOM 1405 CE LYS A 87 5.660 7.730 9.384 1.00 32.43 C ATOM 1406 NZ LYS A 87 5.616 9.199 9.609 1.00 21.41 N ATOM 0 H LYS A 87 2.360 8.221 5.990 1.00 60.45 H new ATOM 0 HA LYS A 87 4.689 9.183 4.805 1.00 24.51 H new ATOM 0 HB2 LYS A 87 4.115 8.323 7.232 1.00 22.42 H new ATOM 0 HB3 LYS A 87 4.467 6.718 6.621 1.00 22.42 H new ATOM 0 HG2 LYS A 87 6.812 7.535 6.056 1.00 74.41 H new ATOM 0 HG3 LYS A 87 6.425 9.036 6.873 1.00 74.41 H new ATOM 0 HD2 LYS A 87 6.582 6.242 8.108 1.00 53.15 H new ATOM 0 HD3 LYS A 87 7.614 7.614 8.458 1.00 53.15 H new ATOM 0 HE2 LYS A 87 4.652 7.368 9.181 1.00 32.43 H new ATOM 0 HE3 LYS A 87 5.998 7.238 10.296 1.00 32.43 H new ATOM 0 HZ1 LYS A 87 4.978 9.410 10.403 1.00 21.41 H new ATOM 0 HZ2 LYS A 87 6.571 9.545 9.831 1.00 21.41 H new ATOM 0 HZ3 LYS A 87 5.267 9.671 8.751 1.00 21.41 H new ATOM 1420 N HIS A 88 4.004 6.097 3.841 1.00 21.33 N ATOM 1421 CA HIS A 88 4.403 4.952 2.985 1.00 13.21 C ATOM 1422 C HIS A 88 3.964 5.125 1.509 1.00 65.31 C ATOM 1423 O HIS A 88 4.734 4.825 0.592 1.00 23.22 O ATOM 1424 CB HIS A 88 3.819 3.645 3.575 1.00 72.02 C ATOM 1425 CG HIS A 88 4.288 3.333 4.976 1.00 73.44 C ATOM 1426 ND1 HIS A 88 3.631 2.447 5.794 1.00 63.32 N ATOM 1427 CD2 HIS A 88 5.317 3.821 5.719 1.00 34.40 C ATOM 1428 CE1 HIS A 88 4.217 2.404 6.968 1.00 65.54 C ATOM 1429 NE2 HIS A 88 5.238 3.229 6.948 1.00 4.44 N ATOM 0 H HIS A 88 3.088 5.982 4.274 1.00 21.33 H new ATOM 0 HA HIS A 88 5.492 4.906 2.979 1.00 13.21 H new ATOM 0 HB2 HIS A 88 2.731 3.714 3.575 1.00 72.02 H new ATOM 0 HB3 HIS A 88 4.085 2.814 2.922 1.00 72.02 H new ATOM 0 HD2 HIS A 88 6.056 4.540 5.399 1.00 34.40 H new ATOM 0 HE1 HIS A 88 3.912 1.795 7.806 1.00 65.54 H new ATOM 0 HE2 HIS A 88 5.873 3.401 7.728 1.00 4.44 H new ATOM 1438 N PHE A 89 2.718 5.597 1.294 1.00 34.53 N ATOM 1439 CA PHE A 89 2.120 5.719 -0.064 1.00 30.24 C ATOM 1440 C PHE A 89 2.363 7.116 -0.681 1.00 70.52 C ATOM 1441 O PHE A 89 2.744 7.233 -1.850 1.00 31.21 O ATOM 1442 CB PHE A 89 0.597 5.409 -0.015 1.00 14.03 C ATOM 1443 CG PHE A 89 0.277 3.971 0.400 1.00 12.24 C ATOM 1444 CD1 PHE A 89 0.566 2.909 -0.458 1.00 5.34 C ATOM 1445 CD2 PHE A 89 -0.304 3.680 1.633 1.00 61.13 C ATOM 1446 CE1 PHE A 89 0.291 1.607 -0.090 1.00 63.21 C ATOM 1447 CE2 PHE A 89 -0.578 2.376 1.998 1.00 71.04 C ATOM 1448 CZ PHE A 89 -0.282 1.341 1.134 1.00 53.30 C ATOM 0 H PHE A 89 2.099 5.903 2.045 1.00 34.53 H new ATOM 0 HA PHE A 89 2.614 4.988 -0.704 1.00 30.24 H new ATOM 0 HB2 PHE A 89 0.117 6.095 0.683 1.00 14.03 H new ATOM 0 HB3 PHE A 89 0.164 5.600 -0.997 1.00 14.03 H new ATOM 0 HD1 PHE A 89 1.010 3.108 -1.422 1.00 5.34 H new ATOM 0 HD2 PHE A 89 -0.543 4.485 2.312 1.00 61.13 H new ATOM 0 HE1 PHE A 89 0.526 0.796 -0.763 1.00 63.21 H new ATOM 0 HE2 PHE A 89 -1.024 2.166 2.959 1.00 71.04 H new ATOM 0 HZ PHE A 89 -0.500 0.322 1.418 1.00 53.30 H new ATOM 1458 N LEU A 90 2.121 8.177 0.111 1.00 1.24 N ATOM 1459 CA LEU A 90 2.235 9.582 -0.361 1.00 31.52 C ATOM 1460 C LEU A 90 3.605 10.210 0.026 1.00 5.20 C ATOM 1461 O LEU A 90 3.914 11.341 -0.376 1.00 71.53 O ATOM 1462 CB LEU A 90 1.051 10.407 0.215 1.00 60.21 C ATOM 1463 CG LEU A 90 -0.382 9.833 -0.080 1.00 43.45 C ATOM 1464 CD1 LEU A 90 -1.494 10.778 0.422 1.00 74.20 C ATOM 1465 CD2 LEU A 90 -0.566 9.502 -1.582 1.00 13.34 C ATOM 0 H LEU A 90 1.843 8.093 1.089 1.00 1.24 H new ATOM 0 HA LEU A 90 2.186 9.594 -1.450 1.00 31.52 H new ATOM 0 HB2 LEU A 90 1.177 10.485 1.295 1.00 60.21 H new ATOM 0 HB3 LEU A 90 1.107 11.419 -0.186 1.00 60.21 H new ATOM 0 HG LEU A 90 -0.470 8.901 0.477 1.00 43.45 H new ATOM 0 HD11 LEU A 90 -2.469 10.344 0.198 1.00 74.20 H new ATOM 0 HD12 LEU A 90 -1.396 10.915 1.499 1.00 74.20 H new ATOM 0 HD13 LEU A 90 -1.404 11.743 -0.076 1.00 74.20 H new ATOM 0 HD21 LEU A 90 -1.569 9.108 -1.747 1.00 13.34 H new ATOM 0 HD22 LEU A 90 -0.430 10.407 -2.173 1.00 13.34 H new ATOM 0 HD23 LEU A 90 0.171 8.758 -1.883 1.00 13.34 H new ATOM 1477 N GLY A 91 4.395 9.463 0.835 1.00 35.33 N ATOM 1478 CA GLY A 91 5.771 9.842 1.212 1.00 41.02 C ATOM 1479 C GLY A 91 5.887 11.111 2.077 1.00 4.24 C ATOM 1480 O GLY A 91 6.920 11.793 2.034 1.00 42.44 O ATOM 0 H GLY A 91 4.091 8.579 1.243 1.00 35.33 H new ATOM 0 HA2 GLY A 91 6.225 9.011 1.752 1.00 41.02 H new ATOM 0 HA3 GLY A 91 6.353 9.987 0.302 1.00 41.02 H new ATOM 1484 N ARG A 92 4.837 11.429 2.859 1.00 21.12 N ATOM 1485 CA ARG A 92 4.784 12.684 3.659 1.00 34.30 C ATOM 1486 C ARG A 92 3.862 12.553 4.897 1.00 51.44 C ATOM 1487 O ARG A 92 3.237 11.512 5.119 1.00 42.24 O ATOM 1488 CB ARG A 92 4.301 13.862 2.764 1.00 15.50 C ATOM 1489 CG ARG A 92 2.833 13.759 2.274 1.00 75.33 C ATOM 1490 CD ARG A 92 2.436 14.931 1.352 1.00 11.12 C ATOM 1491 NE ARG A 92 3.197 14.919 0.085 1.00 24.32 N ATOM 1492 CZ ARG A 92 4.023 15.853 -0.350 1.00 12.50 C ATOM 1493 NH1 ARG A 92 4.323 16.887 0.374 1.00 13.32 N ATOM 1494 NH2 ARG A 92 4.542 15.728 -1.526 1.00 54.14 N ATOM 0 H ARG A 92 4.011 10.839 2.959 1.00 21.12 H new ATOM 0 HA ARG A 92 5.793 12.881 4.022 1.00 34.30 H new ATOM 0 HB2 ARG A 92 4.417 14.792 3.321 1.00 15.50 H new ATOM 0 HB3 ARG A 92 4.954 13.928 1.894 1.00 15.50 H new ATOM 0 HG2 ARG A 92 2.696 12.818 1.740 1.00 75.33 H new ATOM 0 HG3 ARG A 92 2.166 13.736 3.136 1.00 75.33 H new ATOM 0 HD2 ARG A 92 1.369 14.877 1.135 1.00 11.12 H new ATOM 0 HD3 ARG A 92 2.608 15.875 1.870 1.00 11.12 H new ATOM 0 HE ARG A 92 3.071 14.104 -0.516 1.00 24.32 H new ATOM 0 HH11 ARG A 92 3.918 16.993 1.304 1.00 13.32 H new ATOM 0 HH12 ARG A 92 4.964 17.594 0.013 1.00 13.32 H new ATOM 0 HH21 ARG A 92 4.312 14.918 -2.102 1.00 54.14 H new ATOM 0 HH22 ARG A 92 5.182 16.439 -1.879 1.00 54.14 H new ATOM 1508 N ALA A 93 3.796 13.634 5.701 1.00 63.11 N ATOM 1509 CA ALA A 93 2.885 13.738 6.864 1.00 2.25 C ATOM 1510 C ALA A 93 1.473 14.248 6.453 1.00 3.34 C ATOM 1511 O ALA A 93 1.346 14.990 5.464 1.00 15.52 O ATOM 1512 CB ALA A 93 3.516 14.669 7.921 1.00 63.54 C ATOM 0 H ALA A 93 4.374 14.463 5.563 1.00 63.11 H new ATOM 0 HA ALA A 93 2.750 12.742 7.286 1.00 2.25 H new ATOM 0 HB1 ALA A 93 2.849 14.749 8.780 1.00 63.54 H new ATOM 0 HB2 ALA A 93 4.473 14.259 8.242 1.00 63.54 H new ATOM 0 HB3 ALA A 93 3.671 15.658 7.489 1.00 63.54 H new ATOM 1518 N PRO A 94 0.384 13.846 7.199 1.00 74.42 N ATOM 1519 CA PRO A 94 -0.959 14.471 7.054 1.00 63.42 C ATOM 1520 C PRO A 94 -0.927 15.966 7.491 1.00 21.12 C ATOM 1521 O PRO A 94 -0.331 16.311 8.525 1.00 0.22 O ATOM 1522 CB PRO A 94 -1.870 13.600 7.967 1.00 12.03 C ATOM 1523 CG PRO A 94 -0.932 12.968 8.953 1.00 32.14 C ATOM 1524 CD PRO A 94 0.370 12.751 8.208 1.00 15.22 C ATOM 0 HA PRO A 94 -1.319 14.492 6.025 1.00 63.42 H new ATOM 0 HB2 PRO A 94 -2.622 14.207 8.470 1.00 12.03 H new ATOM 0 HB3 PRO A 94 -2.404 12.846 7.389 1.00 12.03 H new ATOM 0 HG2 PRO A 94 -0.783 13.613 9.819 1.00 32.14 H new ATOM 0 HG3 PRO A 94 -1.332 12.024 9.323 1.00 32.14 H new ATOM 0 HD2 PRO A 94 1.229 12.811 8.876 1.00 15.22 H new ATOM 0 HD3 PRO A 94 0.402 11.770 7.735 1.00 15.22 H new ATOM 1532 N ILE A 95 -1.572 16.838 6.691 1.00 23.30 N ATOM 1533 CA ILE A 95 -1.407 18.311 6.789 1.00 70.33 C ATOM 1534 C ILE A 95 -2.098 18.877 8.061 1.00 30.53 C ATOM 1535 O ILE A 95 -1.424 19.389 8.962 1.00 70.14 O ATOM 1536 CB ILE A 95 -1.931 19.050 5.476 1.00 21.51 C ATOM 1537 CG1 ILE A 95 -1.020 18.736 4.225 1.00 62.35 C ATOM 1538 CG2 ILE A 95 -2.032 20.592 5.685 1.00 33.24 C ATOM 1539 CD1 ILE A 95 -1.044 17.299 3.713 1.00 71.25 C ATOM 0 H ILE A 95 -2.221 16.547 5.960 1.00 23.30 H new ATOM 0 HA ILE A 95 -0.339 18.509 6.874 1.00 70.33 H new ATOM 0 HB ILE A 95 -2.930 18.662 5.280 1.00 21.51 H new ATOM 0 HG12 ILE A 95 -1.320 19.394 3.410 1.00 62.35 H new ATOM 0 HG13 ILE A 95 0.009 18.991 4.479 1.00 62.35 H new ATOM 0 HG21 ILE A 95 -2.392 21.060 4.769 1.00 33.24 H new ATOM 0 HG22 ILE A 95 -2.726 20.804 6.498 1.00 33.24 H new ATOM 0 HG23 ILE A 95 -1.048 20.991 5.934 1.00 33.24 H new ATOM 0 HD11 ILE A 95 -0.380 17.208 2.853 1.00 71.25 H new ATOM 0 HD12 ILE A 95 -0.710 16.626 4.502 1.00 71.25 H new ATOM 0 HD13 ILE A 95 -2.059 17.035 3.417 1.00 71.25 H new ATOM 1551 N ASP A 96 -3.440 18.800 8.115 1.00 13.01 N ATOM 1552 CA ASP A 96 -4.238 19.295 9.262 1.00 41.25 C ATOM 1553 C ASP A 96 -4.514 18.182 10.295 1.00 75.04 C ATOM 1554 O ASP A 96 -4.357 16.989 10.003 1.00 73.40 O ATOM 1555 CB ASP A 96 -5.598 19.843 8.751 1.00 32.35 C ATOM 1556 CG ASP A 96 -5.446 20.848 7.614 1.00 3.32 C ATOM 1557 OD1 ASP A 96 -5.241 22.046 7.893 1.00 34.12 O ATOM 1558 OD2 ASP A 96 -5.518 20.437 6.437 1.00 5.14 O ATOM 0 H ASP A 96 -4.005 18.395 7.369 1.00 13.01 H new ATOM 0 HA ASP A 96 -3.660 20.081 9.747 1.00 41.25 H new ATOM 0 HB2 ASP A 96 -6.215 19.010 8.413 1.00 32.35 H new ATOM 0 HB3 ASP A 96 -6.127 20.316 9.578 1.00 32.35 H new ATOM 1563 N GLN A 97 -4.950 18.591 11.500 1.00 42.13 N ATOM 1564 CA GLN A 97 -5.589 17.675 12.466 1.00 24.23 C ATOM 1565 C GLN A 97 -6.959 17.208 11.907 1.00 33.42 C ATOM 1566 O GLN A 97 -7.349 16.060 12.090 1.00 55.20 O ATOM 1567 CB GLN A 97 -5.740 18.362 13.856 1.00 42.43 C ATOM 1568 CG GLN A 97 -6.512 17.540 14.923 1.00 35.44 C ATOM 1569 CD GLN A 97 -5.932 16.143 15.213 1.00 1.52 C ATOM 1570 OE1 GLN A 97 -6.793 15.203 15.559 1.00 71.11 O flip ATOM 1571 NE2 GLN A 97 -4.734 15.907 15.124 1.00 32.42 N flip ATOM 0 H GLN A 97 -4.872 19.553 11.830 1.00 42.13 H new ATOM 0 HA GLN A 97 -4.958 16.798 12.607 1.00 24.23 H new ATOM 0 HB2 GLN A 97 -4.745 18.585 14.243 1.00 42.43 H new ATOM 0 HB3 GLN A 97 -6.249 19.316 13.718 1.00 42.43 H new ATOM 0 HG2 GLN A 97 -6.533 18.108 15.853 1.00 35.44 H new ATOM 0 HG3 GLN A 97 -7.545 17.427 14.595 1.00 35.44 H new ATOM 0 HE21 GLN A 97 -4.087 16.648 14.855 1.00 32.42 H new ATOM 0 HE22 GLN A 97 -4.383 14.969 15.319 1.00 32.42 H new ATOM 1580 N ALA A 98 -7.640 18.104 11.167 1.00 10.23 N ATOM 1581 CA ALA A 98 -8.915 17.794 10.478 1.00 12.33 C ATOM 1582 C ALA A 98 -8.704 16.785 9.316 1.00 45.11 C ATOM 1583 O ALA A 98 -9.585 15.971 9.023 1.00 43.12 O ATOM 1584 CB ALA A 98 -9.558 19.086 9.953 1.00 53.44 C ATOM 0 H ALA A 98 -7.325 19.064 11.028 1.00 10.23 H new ATOM 0 HA ALA A 98 -9.584 17.329 11.202 1.00 12.33 H new ATOM 0 HB1 ALA A 98 -10.494 18.847 9.448 1.00 53.44 H new ATOM 0 HB2 ALA A 98 -9.757 19.759 10.787 1.00 53.44 H new ATOM 0 HB3 ALA A 98 -8.880 19.570 9.250 1.00 53.44 H new ATOM 1590 N GLU A 99 -7.526 16.861 8.665 1.00 12.51 N ATOM 1591 CA GLU A 99 -7.104 15.911 7.606 1.00 2.32 C ATOM 1592 C GLU A 99 -7.002 14.477 8.179 1.00 32.32 C ATOM 1593 O GLU A 99 -7.441 13.499 7.556 1.00 53.54 O ATOM 1594 CB GLU A 99 -5.732 16.365 7.032 1.00 22.30 C ATOM 1595 CG GLU A 99 -5.217 15.565 5.819 1.00 35.43 C ATOM 1596 CD GLU A 99 -6.149 15.654 4.597 1.00 63.53 C ATOM 1597 OE1 GLU A 99 -6.161 16.708 3.924 1.00 73.52 O ATOM 1598 OE2 GLU A 99 -6.879 14.684 4.316 1.00 12.32 O ATOM 0 H GLU A 99 -6.834 17.585 8.857 1.00 12.51 H new ATOM 0 HA GLU A 99 -7.846 15.905 6.807 1.00 2.32 H new ATOM 0 HB2 GLU A 99 -5.808 17.414 6.746 1.00 22.30 H new ATOM 0 HB3 GLU A 99 -4.988 16.304 7.827 1.00 22.30 H new ATOM 0 HG2 GLU A 99 -4.229 15.932 5.542 1.00 35.43 H new ATOM 0 HG3 GLU A 99 -5.100 14.519 6.104 1.00 35.43 H new ATOM 1605 N ILE A 100 -6.435 14.392 9.396 1.00 73.43 N ATOM 1606 CA ILE A 100 -6.366 13.144 10.176 1.00 22.30 C ATOM 1607 C ILE A 100 -7.785 12.649 10.554 1.00 63.31 C ATOM 1608 O ILE A 100 -8.096 11.480 10.374 1.00 11.33 O ATOM 1609 CB ILE A 100 -5.501 13.342 11.480 1.00 1.12 C ATOM 1610 CG1 ILE A 100 -4.042 13.771 11.112 1.00 60.34 C ATOM 1611 CG2 ILE A 100 -5.505 12.070 12.365 1.00 21.42 C ATOM 1612 CD1 ILE A 100 -3.127 14.052 12.299 1.00 34.52 C ATOM 0 H ILE A 100 -6.010 15.191 9.868 1.00 73.43 H new ATOM 0 HA ILE A 100 -5.888 12.390 9.551 1.00 22.30 H new ATOM 0 HB ILE A 100 -5.955 14.142 12.064 1.00 1.12 H new ATOM 0 HG12 ILE A 100 -3.592 12.985 10.505 1.00 60.34 H new ATOM 0 HG13 ILE A 100 -4.089 14.666 10.491 1.00 60.34 H new ATOM 0 HG21 ILE A 100 -4.899 12.244 13.254 1.00 21.42 H new ATOM 0 HG22 ILE A 100 -6.527 11.837 12.662 1.00 21.42 H new ATOM 0 HG23 ILE A 100 -5.091 11.234 11.802 1.00 21.42 H new ATOM 0 HD11 ILE A 100 -2.140 14.341 11.937 1.00 34.52 H new ATOM 0 HD12 ILE A 100 -3.546 14.861 12.898 1.00 34.52 H new ATOM 0 HD13 ILE A 100 -3.040 13.155 12.912 1.00 34.52 H new ATOM 1624 N ARG A 101 -8.646 13.568 11.043 1.00 13.24 N ATOM 1625 CA ARG A 101 -10.026 13.236 11.495 1.00 45.12 C ATOM 1626 C ARG A 101 -10.898 12.699 10.330 1.00 42.41 C ATOM 1627 O ARG A 101 -11.774 11.857 10.542 1.00 64.21 O ATOM 1628 CB ARG A 101 -10.711 14.465 12.161 1.00 13.12 C ATOM 1629 CG ARG A 101 -10.007 14.986 13.436 1.00 71.45 C ATOM 1630 CD ARG A 101 -9.944 13.945 14.576 1.00 32.32 C ATOM 1631 NE ARG A 101 -11.273 13.643 15.146 1.00 72.34 N ATOM 1632 CZ ARG A 101 -11.631 12.499 15.697 1.00 14.33 C ATOM 1633 NH1 ARG A 101 -10.839 11.470 15.699 1.00 11.24 N ATOM 1634 NH2 ARG A 101 -12.794 12.396 16.244 1.00 55.44 N ATOM 0 H ARG A 101 -8.412 14.556 11.137 1.00 13.24 H new ATOM 0 HA ARG A 101 -9.936 12.445 12.239 1.00 45.12 H new ATOM 0 HB2 ARG A 101 -10.760 15.275 11.433 1.00 13.12 H new ATOM 0 HB3 ARG A 101 -11.738 14.199 12.412 1.00 13.12 H new ATOM 0 HG2 ARG A 101 -8.993 15.295 13.181 1.00 71.45 H new ATOM 0 HG3 ARG A 101 -10.530 15.873 13.793 1.00 71.45 H new ATOM 0 HD2 ARG A 101 -9.498 13.025 14.198 1.00 32.32 H new ATOM 0 HD3 ARG A 101 -9.290 14.316 15.365 1.00 32.32 H new ATOM 0 HE ARG A 101 -11.974 14.383 15.110 1.00 72.34 H new ATOM 0 HH11 ARG A 101 -9.917 11.535 15.268 1.00 11.24 H new ATOM 0 HH12 ARG A 101 -11.139 10.596 16.132 1.00 11.24 H new ATOM 0 HH21 ARG A 101 -13.428 13.195 16.248 1.00 55.44 H new ATOM 0 HH22 ARG A 101 -13.080 11.516 16.673 1.00 55.44 H new ATOM 1648 N LYS A 102 -10.641 13.189 9.106 1.00 4.34 N ATOM 1649 CA LYS A 102 -11.336 12.708 7.896 1.00 1.21 C ATOM 1650 C LYS A 102 -10.961 11.234 7.584 1.00 31.22 C ATOM 1651 O LYS A 102 -11.845 10.386 7.428 1.00 41.20 O ATOM 1652 CB LYS A 102 -11.026 13.635 6.694 1.00 45.12 C ATOM 1653 CG LYS A 102 -11.723 13.234 5.366 1.00 13.43 C ATOM 1654 CD LYS A 102 -11.661 14.345 4.286 1.00 14.32 C ATOM 1655 CE LYS A 102 -10.227 14.793 3.965 1.00 42.03 C ATOM 1656 NZ LYS A 102 -9.381 13.663 3.498 1.00 71.31 N ATOM 0 H LYS A 102 -9.954 13.921 8.926 1.00 4.34 H new ATOM 0 HA LYS A 102 -12.410 12.738 8.081 1.00 1.21 H new ATOM 0 HB2 LYS A 102 -11.323 14.652 6.951 1.00 45.12 H new ATOM 0 HB3 LYS A 102 -9.948 13.649 6.532 1.00 45.12 H new ATOM 0 HG2 LYS A 102 -11.255 12.330 4.976 1.00 13.43 H new ATOM 0 HG3 LYS A 102 -12.766 12.991 5.569 1.00 13.43 H new ATOM 0 HD2 LYS A 102 -12.135 13.984 3.374 1.00 14.32 H new ATOM 0 HD3 LYS A 102 -12.237 15.206 4.625 1.00 14.32 H new ATOM 0 HE2 LYS A 102 -10.252 15.568 3.199 1.00 42.03 H new ATOM 0 HE3 LYS A 102 -9.779 15.238 4.853 1.00 42.03 H new ATOM 0 HZ1 LYS A 102 -8.384 13.957 3.487 1.00 71.31 H new ATOM 0 HZ2 LYS A 102 -9.496 12.854 4.141 1.00 71.31 H new ATOM 0 HZ3 LYS A 102 -9.671 13.386 2.538 1.00 71.31 H new ATOM 1670 N TYR A 103 -9.644 10.927 7.537 1.00 42.11 N ATOM 1671 CA TYR A 103 -9.155 9.534 7.334 1.00 41.30 C ATOM 1672 C TYR A 103 -9.539 8.612 8.521 1.00 51.24 C ATOM 1673 O TYR A 103 -9.724 7.410 8.343 1.00 20.15 O ATOM 1674 CB TYR A 103 -7.617 9.504 7.125 1.00 4.41 C ATOM 1675 CG TYR A 103 -7.113 10.193 5.844 1.00 63.33 C ATOM 1676 CD1 TYR A 103 -7.770 10.015 4.624 1.00 73.15 C ATOM 1677 CD2 TYR A 103 -5.978 11.013 5.854 1.00 1.42 C ATOM 1678 CE1 TYR A 103 -7.317 10.624 3.471 1.00 55.01 C ATOM 1679 CE2 TYR A 103 -5.523 11.623 4.700 1.00 4.23 C ATOM 1680 CZ TYR A 103 -6.198 11.428 3.512 1.00 21.23 C ATOM 1681 OH TYR A 103 -5.756 12.039 2.357 1.00 44.11 O ATOM 0 H TYR A 103 -8.900 11.618 7.636 1.00 42.11 H new ATOM 0 HA TYR A 103 -9.642 9.157 6.434 1.00 41.30 H new ATOM 0 HB2 TYR A 103 -7.141 9.978 7.984 1.00 4.41 H new ATOM 0 HB3 TYR A 103 -7.289 8.465 7.112 1.00 4.41 H new ATOM 0 HD1 TYR A 103 -8.649 9.389 4.582 1.00 73.15 H new ATOM 0 HD2 TYR A 103 -5.448 11.172 6.781 1.00 1.42 H new ATOM 0 HE1 TYR A 103 -7.839 10.471 2.538 1.00 55.01 H new ATOM 0 HE2 TYR A 103 -4.644 12.249 4.728 1.00 4.23 H new ATOM 0 HH TYR A 103 -4.958 12.572 2.554 1.00 44.11 H new ATOM 1691 N ASN A 104 -9.656 9.209 9.722 1.00 44.01 N ATOM 1692 CA ASN A 104 -10.046 8.505 10.970 1.00 3.13 C ATOM 1693 C ASN A 104 -11.519 8.061 10.900 1.00 73.42 C ATOM 1694 O ASN A 104 -11.864 6.944 11.293 1.00 74.14 O ATOM 1695 CB ASN A 104 -9.812 9.445 12.191 1.00 60.21 C ATOM 1696 CG ASN A 104 -10.038 8.781 13.551 1.00 34.43 C ATOM 1697 OD1 ASN A 104 -11.145 8.768 14.078 1.00 15.53 O ATOM 1698 ND2 ASN A 104 -8.986 8.242 14.146 1.00 33.21 N ATOM 0 H ASN A 104 -9.482 10.204 9.860 1.00 44.01 H new ATOM 0 HA ASN A 104 -9.431 7.613 11.086 1.00 3.13 H new ATOM 0 HB2 ASN A 104 -8.791 9.826 12.151 1.00 60.21 H new ATOM 0 HB3 ASN A 104 -10.476 10.305 12.105 1.00 60.21 H new ATOM 0 HD21 ASN A 104 -9.087 7.804 15.062 1.00 33.21 H new ATOM 0 HD22 ASN A 104 -8.074 8.264 13.689 1.00 33.21 H new ATOM 1705 N GLN A 105 -12.368 8.960 10.370 1.00 71.45 N ATOM 1706 CA GLN A 105 -13.823 8.739 10.244 1.00 64.23 C ATOM 1707 C GLN A 105 -14.137 7.701 9.137 1.00 34.00 C ATOM 1708 O GLN A 105 -15.027 6.866 9.302 1.00 43.12 O ATOM 1709 CB GLN A 105 -14.538 10.092 9.950 1.00 41.10 C ATOM 1710 CG GLN A 105 -16.077 10.072 10.125 1.00 62.24 C ATOM 1711 CD GLN A 105 -16.536 9.841 11.574 1.00 44.33 C ATOM 1712 OE1 GLN A 105 -15.862 10.215 12.530 1.00 71.44 O ATOM 1713 NE2 GLN A 105 -17.695 9.236 11.754 1.00 31.23 N ATOM 0 H GLN A 105 -12.063 9.866 10.014 1.00 71.45 H new ATOM 0 HA GLN A 105 -14.196 8.338 11.186 1.00 64.23 H new ATOM 0 HB2 GLN A 105 -14.123 10.855 10.608 1.00 41.10 H new ATOM 0 HB3 GLN A 105 -14.308 10.393 8.928 1.00 41.10 H new ATOM 0 HG2 GLN A 105 -16.485 11.019 9.771 1.00 62.24 H new ATOM 0 HG3 GLN A 105 -16.495 9.289 9.493 1.00 62.24 H new ATOM 0 HE21 GLN A 105 -18.242 8.932 10.949 1.00 31.23 H new ATOM 0 HE22 GLN A 105 -18.044 9.073 12.699 1.00 31.23 H new ATOM 1722 N ILE A 106 -13.391 7.767 8.013 1.00 45.55 N ATOM 1723 CA ILE A 106 -13.532 6.812 6.881 1.00 70.33 C ATOM 1724 C ILE A 106 -13.079 5.386 7.297 1.00 42.23 C ATOM 1725 O ILE A 106 -13.748 4.390 6.992 1.00 65.31 O ATOM 1726 CB ILE A 106 -12.719 7.306 5.615 1.00 4.42 C ATOM 1727 CG1 ILE A 106 -13.253 8.696 5.125 1.00 11.23 C ATOM 1728 CG2 ILE A 106 -12.756 6.267 4.458 1.00 32.41 C ATOM 1729 CD1 ILE A 106 -12.431 9.355 4.020 1.00 12.23 C ATOM 0 H ILE A 106 -12.676 8.478 7.860 1.00 45.55 H new ATOM 0 HA ILE A 106 -14.587 6.770 6.612 1.00 70.33 H new ATOM 0 HB ILE A 106 -11.678 7.416 5.920 1.00 4.42 H new ATOM 0 HG12 ILE A 106 -14.275 8.570 4.769 1.00 11.23 H new ATOM 0 HG13 ILE A 106 -13.294 9.373 5.978 1.00 11.23 H new ATOM 0 HG21 ILE A 106 -12.186 6.646 3.610 1.00 32.41 H new ATOM 0 HG22 ILE A 106 -12.319 5.328 4.798 1.00 32.41 H new ATOM 0 HG23 ILE A 106 -13.789 6.097 4.154 1.00 32.41 H new ATOM 0 HD11 ILE A 106 -12.882 10.310 3.751 1.00 12.23 H new ATOM 0 HD12 ILE A 106 -11.413 9.521 4.373 1.00 12.23 H new ATOM 0 HD13 ILE A 106 -12.410 8.705 3.145 1.00 12.23 H new ATOM 1741 N LEU A 107 -11.936 5.315 7.997 1.00 45.44 N ATOM 1742 CA LEU A 107 -11.388 4.053 8.542 1.00 52.02 C ATOM 1743 C LEU A 107 -12.355 3.440 9.598 1.00 44.11 C ATOM 1744 O LEU A 107 -12.550 2.225 9.640 1.00 2.22 O ATOM 1745 CB LEU A 107 -9.963 4.328 9.135 1.00 11.11 C ATOM 1746 CG LEU A 107 -8.954 3.128 9.211 1.00 53.13 C ATOM 1747 CD1 LEU A 107 -7.519 3.637 9.488 1.00 33.14 C ATOM 1748 CD2 LEU A 107 -9.363 2.074 10.265 1.00 2.02 C ATOM 0 H LEU A 107 -11.361 6.131 8.204 1.00 45.44 H new ATOM 0 HA LEU A 107 -11.293 3.317 7.744 1.00 52.02 H new ATOM 0 HB2 LEU A 107 -9.500 5.117 8.541 1.00 11.11 H new ATOM 0 HB3 LEU A 107 -10.091 4.722 10.143 1.00 11.11 H new ATOM 0 HG LEU A 107 -8.978 2.636 8.239 1.00 53.13 H new ATOM 0 HD11 LEU A 107 -6.835 2.789 9.537 1.00 33.14 H new ATOM 0 HD12 LEU A 107 -7.209 4.307 8.686 1.00 33.14 H new ATOM 0 HD13 LEU A 107 -7.500 4.174 10.437 1.00 33.14 H new ATOM 0 HD21 LEU A 107 -8.631 1.267 10.275 1.00 2.02 H new ATOM 0 HD22 LEU A 107 -9.403 2.540 11.249 1.00 2.02 H new ATOM 0 HD23 LEU A 107 -10.344 1.671 10.015 1.00 2.02 H new ATOM 1760 N ALA A 108 -12.974 4.301 10.425 1.00 43.32 N ATOM 1761 CA ALA A 108 -13.888 3.861 11.505 1.00 54.24 C ATOM 1762 C ALA A 108 -15.240 3.323 10.955 1.00 52.10 C ATOM 1763 O ALA A 108 -15.646 2.192 11.264 1.00 70.13 O ATOM 1764 CB ALA A 108 -14.133 5.019 12.487 1.00 33.03 C ATOM 0 H ALA A 108 -12.859 5.313 10.369 1.00 43.32 H new ATOM 0 HA ALA A 108 -13.405 3.035 12.026 1.00 54.24 H new ATOM 0 HB1 ALA A 108 -14.806 4.689 13.278 1.00 33.03 H new ATOM 0 HB2 ALA A 108 -13.185 5.332 12.924 1.00 33.03 H new ATOM 0 HB3 ALA A 108 -14.582 5.858 11.955 1.00 33.03 H new ATOM 1770 N THR A 109 -15.928 4.144 10.137 1.00 53.11 N ATOM 1771 CA THR A 109 -17.309 3.849 9.660 1.00 71.11 C ATOM 1772 C THR A 109 -17.347 2.912 8.423 1.00 11.15 C ATOM 1773 O THR A 109 -18.391 2.312 8.139 1.00 50.12 O ATOM 1774 CB THR A 109 -18.105 5.162 9.349 1.00 32.33 C ATOM 1775 OG1 THR A 109 -17.503 5.872 8.258 1.00 33.42 O ATOM 1776 CG2 THR A 109 -18.162 6.094 10.574 1.00 21.50 C ATOM 0 H THR A 109 -15.553 5.025 9.786 1.00 53.11 H new ATOM 0 HA THR A 109 -17.790 3.321 10.484 1.00 71.11 H new ATOM 0 HB THR A 109 -19.119 4.864 9.084 1.00 32.33 H new ATOM 0 HG1 THR A 109 -16.636 6.232 8.540 1.00 33.42 H new ATOM 0 HG21 THR A 109 -18.722 6.994 10.321 1.00 21.50 H new ATOM 0 HG22 THR A 109 -18.655 5.580 11.399 1.00 21.50 H new ATOM 0 HG23 THR A 109 -17.149 6.368 10.870 1.00 21.50 H new ATOM 1784 N GLN A 110 -16.226 2.804 7.671 1.00 11.31 N ATOM 1785 CA GLN A 110 -16.100 1.844 6.530 1.00 63.35 C ATOM 1786 C GLN A 110 -15.022 0.769 6.822 1.00 70.45 C ATOM 1787 O GLN A 110 -15.348 -0.422 6.932 1.00 53.22 O ATOM 1788 CB GLN A 110 -15.813 2.566 5.169 1.00 11.44 C ATOM 1789 CG GLN A 110 -17.004 3.378 4.588 1.00 11.43 C ATOM 1790 CD GLN A 110 -17.301 4.700 5.307 1.00 23.25 C ATOM 1791 OE1 GLN A 110 -16.273 5.388 5.766 1.00 3.23 O flip ATOM 1792 NE2 GLN A 110 -18.447 5.119 5.422 1.00 43.53 N flip ATOM 0 H GLN A 110 -15.390 3.368 7.828 1.00 11.31 H new ATOM 0 HA GLN A 110 -17.065 1.347 6.430 1.00 63.35 H new ATOM 0 HB2 GLN A 110 -14.966 3.239 5.304 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.511 1.818 4.436 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.801 3.591 3.538 1.00 11.43 H new ATOM 0 HG3 GLN A 110 -17.898 2.756 4.620 1.00 11.43 H new ATOM 0 HE21 GLN A 110 -19.229 4.572 5.061 1.00 43.53 H new ATOM 0 HE22 GLN A 110 -18.619 6.014 5.879 1.00 43.53 H new ATOM 1801 N GLY A 111 -13.739 1.177 6.945 1.00 73.32 N ATOM 1802 CA GLY A 111 -12.656 0.210 7.177 1.00 73.13 C ATOM 1803 C GLY A 111 -11.301 0.645 6.621 1.00 73.20 C ATOM 1804 O GLY A 111 -11.167 1.726 6.029 1.00 51.11 O ATOM 0 H GLY A 111 -13.437 2.150 6.888 1.00 73.32 H new ATOM 0 HA2 GLY A 111 -12.559 0.040 8.249 1.00 73.13 H new ATOM 0 HA3 GLY A 111 -12.932 -0.743 6.727 1.00 73.13 H new ATOM 1808 N ILE A 112 -10.301 -0.242 6.783 1.00 23.25 N ATOM 1809 CA ILE A 112 -8.903 0.018 6.376 1.00 53.42 C ATOM 1810 C ILE A 112 -8.744 -0.024 4.830 1.00 44.03 C ATOM 1811 O ILE A 112 -7.921 0.703 4.271 1.00 4.42 O ATOM 1812 CB ILE A 112 -7.906 -1.002 7.065 1.00 73.24 C ATOM 1813 CG1 ILE A 112 -6.419 -0.577 6.853 1.00 14.10 C ATOM 1814 CG2 ILE A 112 -8.134 -2.457 6.587 1.00 44.20 C ATOM 1815 CD1 ILE A 112 -6.053 0.751 7.479 1.00 51.35 C ATOM 0 H ILE A 112 -10.438 -1.162 7.201 1.00 23.25 H new ATOM 0 HA ILE A 112 -8.650 1.023 6.713 1.00 53.42 H new ATOM 0 HB ILE A 112 -8.120 -0.973 8.133 1.00 73.24 H new ATOM 0 HG12 ILE A 112 -5.771 -1.350 7.265 1.00 14.10 H new ATOM 0 HG13 ILE A 112 -6.217 -0.529 5.783 1.00 14.10 H new ATOM 0 HG21 ILE A 112 -7.427 -3.119 7.087 1.00 44.20 H new ATOM 0 HG22 ILE A 112 -9.152 -2.764 6.828 1.00 44.20 H new ATOM 0 HG23 ILE A 112 -7.984 -2.514 5.509 1.00 44.20 H new ATOM 0 HD11 ILE A 112 -5.003 0.968 7.283 1.00 51.35 H new ATOM 0 HD12 ILE A 112 -6.673 1.539 7.050 1.00 51.35 H new ATOM 0 HD13 ILE A 112 -6.219 0.704 8.555 1.00 51.35 H new ATOM 1827 N ARG A 113 -9.563 -0.861 4.149 1.00 51.35 N ATOM 1828 CA ARG A 113 -9.546 -0.984 2.667 1.00 31.12 C ATOM 1829 C ARG A 113 -9.982 0.335 1.985 1.00 4.40 C ATOM 1830 O ARG A 113 -9.517 0.666 0.889 1.00 41.33 O ATOM 1831 CB ARG A 113 -10.462 -2.145 2.199 1.00 73.03 C ATOM 1832 CG ARG A 113 -10.140 -3.524 2.821 1.00 23.31 C ATOM 1833 CD ARG A 113 -8.681 -3.980 2.603 1.00 63.30 C ATOM 1834 NE ARG A 113 -8.486 -5.383 3.019 1.00 62.22 N ATOM 1835 CZ ARG A 113 -7.639 -5.819 3.929 1.00 33.10 C ATOM 1836 NH1 ARG A 113 -6.792 -5.022 4.507 1.00 21.22 N ATOM 1837 NH2 ARG A 113 -7.634 -7.076 4.230 1.00 10.34 N ATOM 0 H ARG A 113 -10.248 -1.465 4.603 1.00 51.35 H new ATOM 0 HA ARG A 113 -8.519 -1.201 2.372 1.00 31.12 H new ATOM 0 HB2 ARG A 113 -11.495 -1.890 2.434 1.00 73.03 H new ATOM 0 HB3 ARG A 113 -10.393 -2.228 1.114 1.00 73.03 H new ATOM 0 HG2 ARG A 113 -10.343 -3.486 3.891 1.00 23.31 H new ATOM 0 HG3 ARG A 113 -10.811 -4.270 2.396 1.00 23.31 H new ATOM 0 HD2 ARG A 113 -8.418 -3.871 1.551 1.00 63.30 H new ATOM 0 HD3 ARG A 113 -8.008 -3.335 3.168 1.00 63.30 H new ATOM 0 HE ARG A 113 -9.064 -6.084 2.556 1.00 62.22 H new ATOM 0 HH11 ARG A 113 -6.772 -4.033 4.259 1.00 21.22 H new ATOM 0 HH12 ARG A 113 -6.147 -5.385 5.209 1.00 21.22 H new ATOM 0 HH21 ARG A 113 -8.280 -7.714 3.765 1.00 10.34 H new ATOM 0 HH22 ARG A 113 -6.984 -7.430 4.932 1.00 10.34 H new ATOM 1851 N ALA A 114 -10.869 1.080 2.672 1.00 34.33 N ATOM 1852 CA ALA A 114 -11.348 2.402 2.226 1.00 4.43 C ATOM 1853 C ALA A 114 -10.237 3.464 2.377 1.00 71.12 C ATOM 1854 O ALA A 114 -10.044 4.314 1.504 1.00 14.32 O ATOM 1855 CB ALA A 114 -12.587 2.795 3.048 1.00 11.24 C ATOM 0 H ALA A 114 -11.276 0.779 3.558 1.00 34.33 H new ATOM 0 HA ALA A 114 -11.617 2.349 1.171 1.00 4.43 H new ATOM 0 HB1 ALA A 114 -12.945 3.772 2.722 1.00 11.24 H new ATOM 0 HB2 ALA A 114 -13.372 2.053 2.901 1.00 11.24 H new ATOM 0 HB3 ALA A 114 -12.324 2.839 4.105 1.00 11.24 H new ATOM 1861 N PHE A 115 -9.517 3.380 3.510 1.00 34.54 N ATOM 1862 CA PHE A 115 -8.369 4.257 3.839 1.00 54.43 C ATOM 1863 C PHE A 115 -7.211 4.133 2.803 1.00 44.31 C ATOM 1864 O PHE A 115 -6.709 5.148 2.303 1.00 54.35 O ATOM 1865 CB PHE A 115 -7.882 3.925 5.282 1.00 23.33 C ATOM 1866 CG PHE A 115 -6.524 4.522 5.663 1.00 10.31 C ATOM 1867 CD1 PHE A 115 -6.389 5.876 5.973 1.00 71.23 C ATOM 1868 CD2 PHE A 115 -5.381 3.722 5.693 1.00 20.40 C ATOM 1869 CE1 PHE A 115 -5.155 6.402 6.299 1.00 4.40 C ATOM 1870 CE2 PHE A 115 -4.154 4.243 6.021 1.00 33.41 C ATOM 1871 CZ PHE A 115 -4.039 5.585 6.323 1.00 32.34 C ATOM 0 H PHE A 115 -9.716 2.692 4.236 1.00 34.54 H new ATOM 0 HA PHE A 115 -8.698 5.295 3.793 1.00 54.43 H new ATOM 0 HB2 PHE A 115 -8.629 4.280 5.992 1.00 23.33 H new ATOM 0 HB3 PHE A 115 -7.829 2.842 5.390 1.00 23.33 H new ATOM 0 HD1 PHE A 115 -7.257 6.518 5.958 1.00 71.23 H new ATOM 0 HD2 PHE A 115 -5.463 2.672 5.453 1.00 20.40 H new ATOM 0 HE1 PHE A 115 -5.061 7.452 6.535 1.00 4.40 H new ATOM 0 HE2 PHE A 115 -3.282 3.606 6.043 1.00 33.41 H new ATOM 0 HZ PHE A 115 -3.075 5.998 6.579 1.00 32.34 H new ATOM 1881 N ILE A 116 -6.789 2.887 2.503 1.00 44.15 N ATOM 1882 CA ILE A 116 -5.682 2.615 1.546 1.00 60.44 C ATOM 1883 C ILE A 116 -6.041 3.103 0.120 1.00 1.20 C ATOM 1884 O ILE A 116 -5.240 3.773 -0.545 1.00 22.43 O ATOM 1885 CB ILE A 116 -5.320 1.083 1.497 1.00 54.42 C ATOM 1886 CG1 ILE A 116 -4.969 0.531 2.919 1.00 10.11 C ATOM 1887 CG2 ILE A 116 -4.163 0.808 0.498 1.00 55.45 C ATOM 1888 CD1 ILE A 116 -3.731 1.136 3.570 1.00 63.45 C ATOM 0 H ILE A 116 -7.197 2.045 2.909 1.00 44.15 H new ATOM 0 HA ILE A 116 -4.814 3.168 1.905 1.00 60.44 H new ATOM 0 HB ILE A 116 -6.204 0.553 1.143 1.00 54.42 H new ATOM 0 HG12 ILE A 116 -5.822 0.699 3.576 1.00 10.11 H new ATOM 0 HG13 ILE A 116 -4.830 -0.548 2.847 1.00 10.11 H new ATOM 0 HG21 ILE A 116 -3.937 -0.258 0.488 1.00 55.45 H new ATOM 0 HG22 ILE A 116 -4.462 1.125 -0.501 1.00 55.45 H new ATOM 0 HG23 ILE A 116 -3.277 1.364 0.805 1.00 55.45 H new ATOM 0 HD11 ILE A 116 -3.578 0.685 4.550 1.00 63.45 H new ATOM 0 HD12 ILE A 116 -2.860 0.945 2.943 1.00 63.45 H new ATOM 0 HD13 ILE A 116 -3.868 2.211 3.683 1.00 63.45 H new ATOM 1900 N ASN A 117 -7.276 2.789 -0.314 1.00 24.45 N ATOM 1901 CA ASN A 117 -7.800 3.206 -1.632 1.00 32.24 C ATOM 1902 C ASN A 117 -7.915 4.756 -1.722 1.00 21.44 C ATOM 1903 O ASN A 117 -7.674 5.343 -2.781 1.00 5.13 O ATOM 1904 CB ASN A 117 -9.161 2.508 -1.888 1.00 12.54 C ATOM 1905 CG ASN A 117 -9.794 2.846 -3.243 1.00 13.41 C ATOM 1906 OD1 ASN A 117 -10.650 3.715 -3.343 1.00 21.32 O ATOM 1907 ND2 ASN A 117 -9.358 2.190 -4.299 1.00 41.32 N ATOM 0 H ASN A 117 -7.938 2.241 0.236 1.00 24.45 H new ATOM 0 HA ASN A 117 -7.103 2.899 -2.412 1.00 32.24 H new ATOM 0 HB2 ASN A 117 -9.021 1.429 -1.824 1.00 12.54 H new ATOM 0 HB3 ASN A 117 -9.855 2.787 -1.095 1.00 12.54 H new ATOM 0 HD21 ASN A 117 -9.735 2.403 -5.223 1.00 41.32 H new ATOM 0 HD22 ASN A 117 -8.644 1.469 -4.193 1.00 41.32 H new ATOM 1914 N ALA A 118 -8.245 5.411 -0.589 1.00 63.40 N ATOM 1915 CA ALA A 118 -8.316 6.894 -0.492 1.00 15.52 C ATOM 1916 C ALA A 118 -6.941 7.566 -0.769 1.00 11.01 C ATOM 1917 O ALA A 118 -6.877 8.606 -1.428 1.00 11.05 O ATOM 1918 CB ALA A 118 -8.849 7.313 0.892 1.00 63.52 C ATOM 0 H ALA A 118 -8.470 4.934 0.284 1.00 63.40 H new ATOM 0 HA ALA A 118 -9.006 7.239 -1.263 1.00 15.52 H new ATOM 0 HB1 ALA A 118 -8.896 8.400 0.950 1.00 63.52 H new ATOM 0 HB2 ALA A 118 -9.846 6.898 1.039 1.00 63.52 H new ATOM 0 HB3 ALA A 118 -8.182 6.937 1.668 1.00 63.52 H new ATOM 1924 N LEU A 119 -5.849 6.935 -0.286 1.00 4.34 N ATOM 1925 CA LEU A 119 -4.468 7.471 -0.426 1.00 64.52 C ATOM 1926 C LEU A 119 -3.904 7.275 -1.854 1.00 54.20 C ATOM 1927 O LEU A 119 -3.419 8.218 -2.476 1.00 11.13 O ATOM 1928 CB LEU A 119 -3.517 6.795 0.596 1.00 31.41 C ATOM 1929 CG LEU A 119 -3.870 7.006 2.098 1.00 61.42 C ATOM 1930 CD1 LEU A 119 -2.862 6.269 2.999 1.00 15.51 C ATOM 1931 CD2 LEU A 119 -3.949 8.512 2.456 1.00 34.01 C ATOM 0 H LEU A 119 -5.894 6.045 0.210 1.00 4.34 H new ATOM 0 HA LEU A 119 -4.525 8.542 -0.229 1.00 64.52 H new ATOM 0 HB2 LEU A 119 -3.500 5.724 0.394 1.00 31.41 H new ATOM 0 HB3 LEU A 119 -2.507 7.168 0.425 1.00 31.41 H new ATOM 0 HG LEU A 119 -4.858 6.581 2.275 1.00 61.42 H new ATOM 0 HD11 LEU A 119 -3.125 6.428 4.045 1.00 15.51 H new ATOM 0 HD12 LEU A 119 -2.887 5.202 2.777 1.00 15.51 H new ATOM 0 HD13 LEU A 119 -1.859 6.654 2.814 1.00 15.51 H new ATOM 0 HD21 LEU A 119 -4.197 8.623 3.512 1.00 34.01 H new ATOM 0 HD22 LEU A 119 -2.987 8.984 2.258 1.00 34.01 H new ATOM 0 HD23 LEU A 119 -4.719 8.990 1.850 1.00 34.01 H new ATOM 1943 N VAL A 120 -3.975 6.038 -2.363 1.00 0.24 N ATOM 1944 CA VAL A 120 -3.347 5.668 -3.657 1.00 13.45 C ATOM 1945 C VAL A 120 -4.125 6.266 -4.877 1.00 22.12 C ATOM 1946 O VAL A 120 -3.571 6.428 -5.972 1.00 3.34 O ATOM 1947 CB VAL A 120 -3.189 4.101 -3.770 1.00 22.34 C ATOM 1948 CG1 VAL A 120 -2.342 3.702 -4.999 1.00 45.02 C ATOM 1949 CG2 VAL A 120 -2.570 3.507 -2.474 1.00 34.31 C ATOM 0 H VAL A 120 -4.461 5.268 -1.903 1.00 0.24 H new ATOM 0 HA VAL A 120 -2.350 6.108 -3.682 1.00 13.45 H new ATOM 0 HB VAL A 120 -4.188 3.685 -3.900 1.00 22.34 H new ATOM 0 HG11 VAL A 120 -2.255 2.616 -5.044 1.00 45.02 H new ATOM 0 HG12 VAL A 120 -2.824 4.065 -5.907 1.00 45.02 H new ATOM 0 HG13 VAL A 120 -1.349 4.142 -4.915 1.00 45.02 H new ATOM 0 HG21 VAL A 120 -2.473 2.426 -2.579 1.00 34.31 H new ATOM 0 HG22 VAL A 120 -1.586 3.945 -2.307 1.00 34.31 H new ATOM 0 HG23 VAL A 120 -3.217 3.732 -1.626 1.00 34.31 H new ATOM 1959 N ASN A 121 -5.409 6.629 -4.665 1.00 65.42 N ATOM 1960 CA ASN A 121 -6.231 7.362 -5.670 1.00 30.22 C ATOM 1961 C ASN A 121 -6.261 8.895 -5.392 1.00 43.33 C ATOM 1962 O ASN A 121 -7.153 9.602 -5.876 1.00 52.42 O ATOM 1963 CB ASN A 121 -7.676 6.780 -5.710 1.00 25.12 C ATOM 1964 CG ASN A 121 -7.736 5.378 -6.317 1.00 60.24 C ATOM 1965 OD1 ASN A 121 -7.953 5.212 -7.510 1.00 3.04 O ATOM 1966 ND2 ASN A 121 -7.509 4.363 -5.519 1.00 12.33 N ATOM 0 H ASN A 121 -5.909 6.426 -3.799 1.00 65.42 H new ATOM 0 HA ASN A 121 -5.765 7.222 -6.645 1.00 30.22 H new ATOM 0 HB2 ASN A 121 -8.078 6.750 -4.697 1.00 25.12 H new ATOM 0 HB3 ASN A 121 -8.316 7.448 -6.287 1.00 25.12 H new ATOM 0 HD21 ASN A 121 -7.511 3.413 -5.889 1.00 12.33 H new ATOM 0 HD22 ASN A 121 -7.330 4.524 -4.528 1.00 12.33 H new ATOM 1973 N SER A 122 -5.264 9.415 -4.642 1.00 11.54 N ATOM 1974 CA SER A 122 -5.127 10.876 -4.381 1.00 62.01 C ATOM 1975 C SER A 122 -4.407 11.604 -5.543 1.00 71.44 C ATOM 1976 O SER A 122 -3.613 10.999 -6.276 1.00 22.21 O ATOM 1977 CB SER A 122 -4.344 11.136 -3.067 1.00 51.13 C ATOM 1978 OG SER A 122 -5.044 10.670 -1.932 1.00 23.21 O ATOM 0 H SER A 122 -4.538 8.848 -4.204 1.00 11.54 H new ATOM 0 HA SER A 122 -6.139 11.271 -4.290 1.00 62.01 H new ATOM 0 HB2 SER A 122 -3.373 10.644 -3.121 1.00 51.13 H new ATOM 0 HB3 SER A 122 -4.155 12.204 -2.963 1.00 51.13 H new ATOM 0 HG SER A 122 -5.639 9.936 -2.193 1.00 23.21 H new ATOM 1984 N GLN A 123 -4.704 12.915 -5.682 1.00 70.54 N ATOM 1985 CA GLN A 123 -3.935 13.868 -6.532 1.00 62.22 C ATOM 1986 C GLN A 123 -2.408 13.745 -6.291 1.00 60.34 C ATOM 1987 O GLN A 123 -1.616 13.729 -7.243 1.00 23.45 O ATOM 1988 CB GLN A 123 -4.406 15.326 -6.229 1.00 22.32 C ATOM 1989 CG GLN A 123 -3.444 16.434 -6.711 1.00 34.54 C ATOM 1990 CD GLN A 123 -3.864 17.857 -6.343 1.00 44.32 C ATOM 1991 OE1 GLN A 123 -4.569 18.095 -5.361 1.00 64.03 O ATOM 1992 NE2 GLN A 123 -3.367 18.820 -7.086 1.00 72.31 N ATOM 0 H GLN A 123 -5.492 13.352 -5.204 1.00 70.54 H new ATOM 0 HA GLN A 123 -4.125 13.624 -7.577 1.00 62.22 H new ATOM 0 HB2 GLN A 123 -5.379 15.482 -6.695 1.00 22.32 H new ATOM 0 HB3 GLN A 123 -4.547 15.430 -5.153 1.00 22.32 H new ATOM 0 HG2 GLN A 123 -2.455 16.243 -6.293 1.00 34.54 H new ATOM 0 HG3 GLN A 123 -3.351 16.367 -7.795 1.00 34.54 H new ATOM 0 HE21 GLN A 123 -2.786 18.593 -7.893 1.00 72.31 H new ATOM 0 HE22 GLN A 123 -3.562 19.794 -6.855 1.00 72.31 H new ATOM 2001 N GLU A 124 -2.030 13.663 -5.000 1.00 73.04 N ATOM 2002 CA GLU A 124 -0.626 13.509 -4.566 1.00 23.25 C ATOM 2003 C GLU A 124 0.058 12.294 -5.242 1.00 4.40 C ATOM 2004 O GLU A 124 1.106 12.441 -5.870 1.00 3.43 O ATOM 2005 CB GLU A 124 -0.570 13.385 -3.011 1.00 21.11 C ATOM 2006 CG GLU A 124 0.786 12.927 -2.405 1.00 33.32 C ATOM 2007 CD GLU A 124 1.998 13.829 -2.691 1.00 51.20 C ATOM 2008 OE1 GLU A 124 1.827 15.054 -2.869 1.00 61.24 O ATOM 2009 OE2 GLU A 124 3.142 13.318 -2.679 1.00 3.32 O ATOM 0 H GLU A 124 -2.692 13.702 -4.225 1.00 73.04 H new ATOM 0 HA GLU A 124 -0.074 14.396 -4.877 1.00 23.25 H new ATOM 0 HB2 GLU A 124 -0.827 14.353 -2.581 1.00 21.11 H new ATOM 0 HB3 GLU A 124 -1.341 12.681 -2.696 1.00 21.11 H new ATOM 0 HG2 GLU A 124 0.668 12.845 -1.325 1.00 33.32 H new ATOM 0 HG3 GLU A 124 1.008 11.927 -2.778 1.00 33.32 H new ATOM 2016 N TYR A 125 -0.569 11.102 -5.146 1.00 63.43 N ATOM 2017 CA TYR A 125 -0.002 9.868 -5.736 1.00 52.13 C ATOM 2018 C TYR A 125 0.055 9.979 -7.280 1.00 24.41 C ATOM 2019 O TYR A 125 1.031 9.560 -7.901 1.00 21.12 O ATOM 2020 CB TYR A 125 -0.803 8.598 -5.312 1.00 14.14 C ATOM 2021 CG TYR A 125 -0.061 7.281 -5.637 1.00 34.35 C ATOM 2022 CD1 TYR A 125 -0.129 6.698 -6.911 1.00 70.30 C ATOM 2023 CD2 TYR A 125 0.748 6.652 -4.687 1.00 23.45 C ATOM 2024 CE1 TYR A 125 0.569 5.552 -7.216 1.00 23.22 C ATOM 2025 CE2 TYR A 125 1.455 5.504 -4.997 1.00 63.53 C ATOM 2026 CZ TYR A 125 1.362 4.961 -6.262 1.00 71.51 C ATOM 2027 OH TYR A 125 2.072 3.824 -6.575 1.00 44.52 O ATOM 0 H TYR A 125 -1.461 10.967 -4.670 1.00 63.43 H new ATOM 0 HA TYR A 125 1.012 9.761 -5.351 1.00 52.13 H new ATOM 0 HB2 TYR A 125 -1.003 8.642 -4.241 1.00 14.14 H new ATOM 0 HB3 TYR A 125 -1.769 8.599 -5.817 1.00 14.14 H new ATOM 0 HD1 TYR A 125 -0.743 7.159 -7.670 1.00 70.30 H new ATOM 0 HD2 TYR A 125 0.823 7.069 -3.694 1.00 23.45 H new ATOM 0 HE1 TYR A 125 0.494 5.118 -8.202 1.00 23.22 H new ATOM 0 HE2 TYR A 125 2.078 5.034 -4.251 1.00 63.53 H new ATOM 0 HH TYR A 125 2.730 4.031 -7.271 1.00 44.52 H new ATOM 2037 N ASN A 126 -0.998 10.567 -7.874 1.00 43.42 N ATOM 2038 CA ASN A 126 -1.138 10.701 -9.342 1.00 20.13 C ATOM 2039 C ASN A 126 0.021 11.540 -9.958 1.00 52.33 C ATOM 2040 O ASN A 126 0.813 11.034 -10.759 1.00 23.53 O ATOM 2041 CB ASN A 126 -2.512 11.356 -9.677 1.00 44.22 C ATOM 2042 CG ASN A 126 -2.903 11.305 -11.166 1.00 25.41 C ATOM 2043 OD1 ASN A 126 -2.076 11.142 -12.059 1.00 34.01 O ATOM 2044 ND2 ASN A 126 -4.170 11.496 -11.447 1.00 72.15 N ATOM 0 H ASN A 126 -1.779 10.965 -7.353 1.00 43.42 H new ATOM 0 HA ASN A 126 -1.089 9.704 -9.780 1.00 20.13 H new ATOM 0 HB2 ASN A 126 -3.288 10.859 -9.094 1.00 44.22 H new ATOM 0 HB3 ASN A 126 -2.490 12.398 -9.356 1.00 44.22 H new ATOM 0 HD21 ASN A 126 -4.480 11.511 -12.419 1.00 72.15 H new ATOM 0 HD22 ASN A 126 -4.845 11.630 -10.694 1.00 72.15 H new ATOM 2051 N GLU A 127 0.100 12.820 -9.565 1.00 63.45 N ATOM 2052 CA GLU A 127 1.012 13.800 -10.194 1.00 54.42 C ATOM 2053 C GLU A 127 2.492 13.623 -9.754 1.00 73.14 C ATOM 2054 O GLU A 127 3.412 13.819 -10.562 1.00 40.04 O ATOM 2055 CB GLU A 127 0.519 15.250 -9.916 1.00 32.12 C ATOM 2056 CG GLU A 127 -0.933 15.516 -10.385 1.00 3.51 C ATOM 2057 CD GLU A 127 -1.332 17.004 -10.374 1.00 52.52 C ATOM 2058 OE1 GLU A 127 -1.619 17.548 -9.286 1.00 42.41 O ATOM 2059 OE2 GLU A 127 -1.358 17.637 -11.457 1.00 4.54 O ATOM 0 H GLU A 127 -0.461 13.208 -8.807 1.00 63.45 H new ATOM 0 HA GLU A 127 0.989 13.612 -11.267 1.00 54.42 H new ATOM 0 HB2 GLU A 127 0.588 15.449 -8.846 1.00 32.12 H new ATOM 0 HB3 GLU A 127 1.187 15.953 -10.414 1.00 32.12 H new ATOM 0 HG2 GLU A 127 -1.055 15.125 -11.395 1.00 3.51 H new ATOM 0 HG3 GLU A 127 -1.618 14.962 -9.744 1.00 3.51 H new ATOM 2066 N VAL A 128 2.714 13.269 -8.473 1.00 4.12 N ATOM 2067 CA VAL A 128 4.080 13.084 -7.907 1.00 12.01 C ATOM 2068 C VAL A 128 4.692 11.702 -8.283 1.00 63.05 C ATOM 2069 O VAL A 128 5.920 11.564 -8.366 1.00 51.11 O ATOM 2070 CB VAL A 128 4.073 13.287 -6.341 1.00 21.32 C ATOM 2071 CG1 VAL A 128 5.477 13.119 -5.716 1.00 1.34 C ATOM 2072 CG2 VAL A 128 3.483 14.671 -5.971 1.00 64.42 C ATOM 0 H VAL A 128 1.965 13.103 -7.801 1.00 4.12 H new ATOM 0 HA VAL A 128 4.716 13.848 -8.353 1.00 12.01 H new ATOM 0 HB VAL A 128 3.439 12.504 -5.925 1.00 21.32 H new ATOM 0 HG11 VAL A 128 5.416 13.269 -4.638 1.00 1.34 H new ATOM 0 HG12 VAL A 128 5.849 12.116 -5.922 1.00 1.34 H new ATOM 0 HG13 VAL A 128 6.157 13.854 -6.146 1.00 1.34 H new ATOM 0 HG21 VAL A 128 3.487 14.791 -4.888 1.00 64.42 H new ATOM 0 HG22 VAL A 128 4.086 15.457 -6.425 1.00 64.42 H new ATOM 0 HG23 VAL A 128 2.460 14.741 -6.340 1.00 64.42 H new ATOM 2082 N PHE A 129 3.841 10.678 -8.510 1.00 41.23 N ATOM 2083 CA PHE A 129 4.300 9.328 -8.943 1.00 5.25 C ATOM 2084 C PHE A 129 3.699 8.968 -10.326 1.00 10.21 C ATOM 2085 O PHE A 129 4.372 9.100 -11.353 1.00 60.14 O ATOM 2086 CB PHE A 129 3.953 8.240 -7.877 1.00 61.31 C ATOM 2087 CG PHE A 129 4.477 8.567 -6.478 1.00 62.02 C ATOM 2088 CD1 PHE A 129 5.845 8.629 -6.231 1.00 43.43 C ATOM 2089 CD2 PHE A 129 3.607 8.842 -5.424 1.00 43.45 C ATOM 2090 CE1 PHE A 129 6.328 8.950 -4.978 1.00 10.44 C ATOM 2091 CE2 PHE A 129 4.090 9.167 -4.169 1.00 55.40 C ATOM 2092 CZ PHE A 129 5.450 9.219 -3.947 1.00 13.22 C ATOM 0 H PHE A 129 2.830 10.755 -8.402 1.00 41.23 H new ATOM 0 HA PHE A 129 5.385 9.355 -9.039 1.00 5.25 H new ATOM 0 HB2 PHE A 129 2.871 8.119 -7.832 1.00 61.31 H new ATOM 0 HB3 PHE A 129 4.367 7.284 -8.197 1.00 61.31 H new ATOM 0 HD1 PHE A 129 6.540 8.423 -7.032 1.00 43.43 H new ATOM 0 HD2 PHE A 129 2.541 8.801 -5.590 1.00 43.45 H new ATOM 0 HE1 PHE A 129 7.393 8.991 -4.804 1.00 10.44 H new ATOM 0 HE2 PHE A 129 3.402 9.380 -3.364 1.00 55.40 H new ATOM 0 HZ PHE A 129 5.828 9.470 -2.967 1.00 13.22 H new ATOM 2102 N GLY A 130 2.420 8.551 -10.346 1.00 63.43 N ATOM 2103 CA GLY A 130 1.752 8.084 -11.574 1.00 63.44 C ATOM 2104 C GLY A 130 1.349 6.611 -11.494 1.00 63.52 C ATOM 2105 O GLY A 130 1.761 5.895 -10.568 1.00 74.24 O ATOM 0 H GLY A 130 1.825 8.528 -9.518 1.00 63.43 H new ATOM 0 HA2 GLY A 130 0.865 8.691 -11.755 1.00 63.44 H new ATOM 0 HA3 GLY A 130 2.418 8.230 -12.425 1.00 63.44 H new ATOM 2109 N GLU A 131 0.559 6.146 -12.483 1.00 51.31 N ATOM 2110 CA GLU A 131 0.053 4.751 -12.523 1.00 15.35 C ATOM 2111 C GLU A 131 1.155 3.724 -12.892 1.00 74.51 C ATOM 2112 O GLU A 131 0.955 2.513 -12.764 1.00 30.41 O ATOM 2113 CB GLU A 131 -1.199 4.652 -13.456 1.00 11.43 C ATOM 2114 CG GLU A 131 -1.026 5.153 -14.915 1.00 61.51 C ATOM 2115 CD GLU A 131 -0.277 4.182 -15.849 1.00 3.32 C ATOM 2116 OE1 GLU A 131 -0.822 3.096 -16.150 1.00 1.44 O ATOM 2117 OE2 GLU A 131 0.846 4.498 -16.298 1.00 62.35 O ATOM 0 H GLU A 131 0.254 6.717 -13.271 1.00 51.31 H new ATOM 0 HA GLU A 131 -0.261 4.483 -11.514 1.00 15.35 H new ATOM 0 HB2 GLU A 131 -1.516 3.610 -13.490 1.00 11.43 H new ATOM 0 HB3 GLU A 131 -2.010 5.217 -12.997 1.00 11.43 H new ATOM 0 HG2 GLU A 131 -2.012 5.351 -15.335 1.00 61.51 H new ATOM 0 HG3 GLU A 131 -0.491 6.102 -14.897 1.00 61.51 H new ATOM 2124 N ASP A 132 2.307 4.225 -13.352 1.00 65.51 N ATOM 2125 CA ASP A 132 3.474 3.403 -13.727 1.00 75.25 C ATOM 2126 C ASP A 132 4.579 3.411 -12.635 1.00 31.32 C ATOM 2127 O ASP A 132 5.519 2.620 -12.707 1.00 3.51 O ATOM 2128 CB ASP A 132 4.057 3.929 -15.062 1.00 62.05 C ATOM 2129 CG ASP A 132 4.566 5.380 -14.953 1.00 71.01 C ATOM 2130 OD1 ASP A 132 3.732 6.311 -14.875 1.00 31.20 O ATOM 2131 OD2 ASP A 132 5.797 5.595 -14.912 1.00 52.45 O ATOM 0 H ASP A 132 2.462 5.225 -13.478 1.00 65.51 H new ATOM 0 HA ASP A 132 3.135 2.373 -13.836 1.00 75.25 H new ATOM 0 HB2 ASP A 132 4.876 3.283 -15.377 1.00 62.05 H new ATOM 0 HB3 ASP A 132 3.292 3.873 -15.836 1.00 62.05 H new ATOM 2136 N THR A 133 4.464 4.300 -11.625 1.00 64.45 N ATOM 2137 CA THR A 133 5.578 4.575 -10.672 1.00 53.43 C ATOM 2138 C THR A 133 5.245 4.176 -9.206 1.00 54.03 C ATOM 2139 O THR A 133 4.131 4.378 -8.717 1.00 43.51 O ATOM 2140 CB THR A 133 5.992 6.091 -10.732 1.00 52.33 C ATOM 2141 OG1 THR A 133 6.286 6.480 -12.088 1.00 60.01 O ATOM 2142 CG2 THR A 133 7.227 6.416 -9.870 1.00 23.55 C ATOM 0 H THR A 133 3.618 4.841 -11.443 1.00 64.45 H new ATOM 0 HA THR A 133 6.412 3.949 -10.989 1.00 53.43 H new ATOM 0 HB THR A 133 5.140 6.645 -10.338 1.00 52.33 H new ATOM 0 HG1 THR A 133 6.540 7.426 -12.109 1.00 60.01 H new ATOM 0 HG21 THR A 133 7.461 7.477 -9.955 1.00 23.55 H new ATOM 0 HG22 THR A 133 7.018 6.173 -8.828 1.00 23.55 H new ATOM 0 HG23 THR A 133 8.077 5.828 -10.216 1.00 23.55 H new ATOM 2150 N VAL A 134 6.262 3.609 -8.534 1.00 61.43 N ATOM 2151 CA VAL A 134 6.267 3.261 -7.090 1.00 31.05 C ATOM 2152 C VAL A 134 6.641 4.504 -6.227 1.00 1.15 C ATOM 2153 O VAL A 134 7.345 5.396 -6.723 1.00 63.13 O ATOM 2154 CB VAL A 134 7.324 2.089 -6.856 1.00 2.32 C ATOM 2155 CG1 VAL A 134 7.595 1.778 -5.362 1.00 21.34 C ATOM 2156 CG2 VAL A 134 6.881 0.813 -7.598 1.00 71.41 C ATOM 0 H VAL A 134 7.140 3.369 -8.994 1.00 61.43 H new ATOM 0 HA VAL A 134 5.272 2.932 -6.789 1.00 31.05 H new ATOM 0 HB VAL A 134 8.269 2.447 -7.265 1.00 2.32 H new ATOM 0 HG11 VAL A 134 8.323 0.971 -5.285 1.00 21.34 H new ATOM 0 HG12 VAL A 134 7.986 2.668 -4.870 1.00 21.34 H new ATOM 0 HG13 VAL A 134 6.666 1.476 -4.879 1.00 21.34 H new ATOM 0 HG21 VAL A 134 7.612 0.022 -7.429 1.00 71.41 H new ATOM 0 HG22 VAL A 134 5.908 0.494 -7.224 1.00 71.41 H new ATOM 0 HG23 VAL A 134 6.810 1.019 -8.666 1.00 71.41 H new ATOM 2166 N PRO A 135 6.141 4.614 -4.940 1.00 74.30 N ATOM 2167 CA PRO A 135 6.734 5.521 -3.922 1.00 53.43 C ATOM 2168 C PRO A 135 8.287 5.382 -3.826 1.00 0.12 C ATOM 2169 O PRO A 135 8.816 4.532 -3.099 1.00 31.24 O ATOM 2170 CB PRO A 135 6.024 5.094 -2.612 1.00 61.23 C ATOM 2171 CG PRO A 135 4.687 4.590 -3.063 1.00 74.24 C ATOM 2172 CD PRO A 135 4.922 3.937 -4.413 1.00 53.31 C ATOM 0 HA PRO A 135 6.586 6.574 -4.162 1.00 53.43 H new ATOM 0 HB2 PRO A 135 6.585 4.320 -2.089 1.00 61.23 H new ATOM 0 HB3 PRO A 135 5.921 5.933 -1.924 1.00 61.23 H new ATOM 0 HG2 PRO A 135 4.278 3.875 -2.349 1.00 74.24 H new ATOM 0 HG3 PRO A 135 3.969 5.406 -3.144 1.00 74.24 H new ATOM 0 HD2 PRO A 135 5.075 2.862 -4.314 1.00 53.31 H new ATOM 0 HD3 PRO A 135 4.069 4.078 -5.077 1.00 53.31 H new ATOM 2180 N TYR A 136 8.992 6.195 -4.636 1.00 23.51 N ATOM 2181 CA TYR A 136 10.465 6.147 -4.767 1.00 52.30 C ATOM 2182 C TYR A 136 11.165 7.110 -3.782 1.00 75.03 C ATOM 2183 O TYR A 136 10.513 7.876 -3.054 1.00 24.41 O ATOM 2184 CB TYR A 136 10.885 6.456 -6.241 1.00 52.30 C ATOM 2185 CG TYR A 136 10.500 7.855 -6.768 1.00 14.12 C ATOM 2186 CD1 TYR A 136 9.273 8.074 -7.394 1.00 15.30 C ATOM 2187 CD2 TYR A 136 11.362 8.951 -6.642 1.00 2.10 C ATOM 2188 CE1 TYR A 136 8.921 9.319 -7.873 1.00 44.14 C ATOM 2189 CE2 TYR A 136 11.009 10.201 -7.119 1.00 44.34 C ATOM 2190 CZ TYR A 136 9.786 10.379 -7.732 1.00 24.44 C ATOM 2191 OH TYR A 136 9.431 11.623 -8.211 1.00 50.22 O ATOM 0 H TYR A 136 8.556 6.907 -5.221 1.00 23.51 H new ATOM 0 HA TYR A 136 10.789 5.138 -4.511 1.00 52.30 H new ATOM 0 HB2 TYR A 136 11.966 6.342 -6.323 1.00 52.30 H new ATOM 0 HB3 TYR A 136 10.435 5.706 -6.892 1.00 52.30 H new ATOM 0 HD1 TYR A 136 8.583 7.251 -7.506 1.00 15.30 H new ATOM 0 HD2 TYR A 136 12.321 8.818 -6.163 1.00 2.10 H new ATOM 0 HE1 TYR A 136 7.967 9.461 -8.358 1.00 44.14 H new ATOM 0 HE2 TYR A 136 11.688 11.034 -7.012 1.00 44.34 H new ATOM 0 HH TYR A 136 10.152 12.261 -8.030 1.00 50.22 H new