USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 666 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 76 ASN : amide:sc= -7.15 K(o=-8.5,f=-15!) USER MOD Set 1.2: A 77 SER OG : rot -119:sc= -1.37! USER MOD Set 2.1: A 16 SER OG : rot 19:sc= 1.03 USER MOD Set 2.2: A 60 SER OG : rot 99:sc= 0.612 USER MOD Set 3.1: A 38 GLN : amide:sc= -5.13! C(o=-7.2!,f=-6.4!) USER MOD Set 3.2: A 43 SER OG : rot 87:sc= -2.04! USER MOD Set 4.1: A 10 THR OG1 : rot -68:sc= -0.0815 USER MOD Set 4.2: A 88 THR OG1 : rot 180:sc= 0.262 USER MOD Single : A 4 THR OG1 : rot 180:sc= -5.85! USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 0.169 (180deg=0.0894) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 9 MET CE :methyl -105:sc= -1.13 (180deg=-3.28!) USER MOD Single : A -1 ALA N :NH3+ -140:sc= 0.0198 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -105:sc= 0.837 USER MOD Single : A 23 THR OG1 : rot 20:sc= 0.356! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0.142 (180deg=0.00989) USER MOD Single : A 41 SER OG : rot 61:sc= -0.368 USER MOD Single : A 42 THR OG1 : rot 71:sc= 0.384 USER MOD Single : A 46 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-0.55) USER MOD Single : A 47 GLN : amide:sc= -2.05 X(o=-2,f=-1.8) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.0364 (180deg=-0.704) USER MOD Single : A 53 TYR OH : rot -157:sc= 0.215 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -49:sc= -3.3! USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.45! USER MOD Single : A 61 SER OG : rot -46:sc= -0.503! USER MOD Single : A 69 ASN : amide:sc= -2.26 K(o=-2.3,f=-5.2) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 75:sc= -0.733 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.5!) USER MOD Single : A 86 THR OG1 : rot 24:sc= 0.866 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 18.224 0.376 7.792 1.00 0.00 N ATOM 82 CA ALA A -1 17.300 -0.635 7.203 1.00 0.00 C ATOM 83 C ALA A -1 16.145 0.048 6.457 1.00 0.00 C ATOM 84 O ALA A -1 16.303 1.101 5.877 1.00 0.00 O ATOM 85 CB ALA A -1 16.779 -1.426 8.404 1.00 0.00 C ATOM 0 H1 ALA A -1 19.207 0.057 7.676 1.00 0.00 H new ATOM 0 H2 ALA A -1 18.096 1.287 7.307 1.00 0.00 H new ATOM 0 H3 ALA A -1 18.014 0.490 8.804 1.00 0.00 H new ATOM 0 HA ALA A -1 17.798 -1.272 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A -1 16.088 -2.196 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A -1 17.616 -1.894 8.922 1.00 0.00 H new ATOM 0 HB3 ALA A -1 16.261 -0.752 9.087 1.00 0.00 H new ATOM 91 N ALA A 0 14.988 -0.553 6.469 1.00 0.00 N ATOM 92 CA ALA A 0 13.818 0.043 5.769 1.00 0.00 C ATOM 93 C ALA A 0 12.751 0.436 6.788 1.00 0.00 C ATOM 94 O ALA A 0 12.145 -0.405 7.420 1.00 0.00 O ATOM 95 CB ALA A 0 13.292 -1.066 4.861 1.00 0.00 C ATOM 0 H ALA A 0 14.802 -1.439 6.938 1.00 0.00 H new ATOM 0 HA ALA A 0 14.083 0.940 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 0 12.425 -0.703 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.072 -1.362 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.003 -1.925 5.466 1.00 0.00 H new ATOM 101 N ARG A 1 12.515 1.703 6.950 1.00 0.00 N ATOM 102 CA ARG A 1 11.483 2.143 7.927 1.00 0.00 C ATOM 103 C ARG A 1 10.433 3.003 7.225 1.00 0.00 C ATOM 104 O ARG A 1 10.606 3.407 6.092 1.00 0.00 O ATOM 105 CB ARG A 1 12.244 2.965 8.964 1.00 0.00 C ATOM 106 CG ARG A 1 12.984 4.106 8.265 1.00 0.00 C ATOM 107 CD ARG A 1 13.468 5.112 9.308 1.00 0.00 C ATOM 108 NE ARG A 1 14.891 5.376 8.953 1.00 0.00 N ATOM 109 CZ ARG A 1 15.626 6.131 9.723 1.00 0.00 C ATOM 110 NH1 ARG A 1 15.527 6.031 11.021 1.00 0.00 N ATOM 111 NH2 ARG A 1 16.457 6.986 9.196 1.00 0.00 N ATOM 0 H ARG A 1 12.990 2.454 6.450 1.00 0.00 H new ATOM 0 HA ARG A 1 10.957 1.304 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.552 3.366 9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.952 2.331 9.498 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.831 3.714 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.325 4.597 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.877 6.027 9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.381 4.709 10.317 1.00 0.00 H new ATOM 0 HE ARG A 1 15.290 4.967 8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.875 5.363 11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.101 6.621 11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.533 7.065 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 1 17.031 7.576 9.798 1.00 0.00 H new ATOM 125 N ILE A 2 9.349 3.289 7.885 1.00 0.00 N ATOM 126 CA ILE A 2 8.297 4.122 7.247 1.00 0.00 C ATOM 127 C ILE A 2 8.207 5.482 7.938 1.00 0.00 C ATOM 128 O ILE A 2 8.221 5.590 9.149 1.00 0.00 O ATOM 129 CB ILE A 2 6.999 3.332 7.401 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.118 2.030 6.594 1.00 0.00 C ATOM 131 CG2 ILE A 2 5.831 4.175 6.874 1.00 0.00 C ATOM 132 CD1 ILE A 2 5.762 1.326 6.518 1.00 0.00 C ATOM 0 H ILE A 2 9.146 2.983 8.837 1.00 0.00 H new ATOM 0 HA ILE A 2 8.511 4.323 6.197 1.00 0.00 H new ATOM 0 HB ILE A 2 6.820 3.095 8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.478 2.249 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.852 1.372 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.901 3.616 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.765 5.102 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.995 4.407 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.862 0.405 5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.418 1.090 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.039 1.981 6.032 1.00 0.00 H new ATOM 144 N LEU A 3 8.133 6.517 7.159 1.00 0.00 N ATOM 145 CA LEU A 3 8.061 7.897 7.710 1.00 0.00 C ATOM 146 C LEU A 3 6.618 8.410 7.680 1.00 0.00 C ATOM 147 O LEU A 3 6.010 8.650 8.703 1.00 0.00 O ATOM 148 CB LEU A 3 8.947 8.702 6.761 1.00 0.00 C ATOM 149 CG LEU A 3 9.120 10.127 7.278 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.610 10.473 7.293 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.378 11.093 6.351 1.00 0.00 C ATOM 0 H LEU A 3 8.119 6.466 6.140 1.00 0.00 H new ATOM 0 HA LEU A 3 8.383 7.965 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.921 8.222 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.503 8.720 5.766 1.00 0.00 H new ATOM 0 HG LEU A 3 8.714 10.210 8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.744 11.490 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.138 9.778 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.011 10.397 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.499 12.113 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.788 11.018 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.319 10.837 6.332 1.00 0.00 H new ATOM 163 N THR A 4 6.072 8.573 6.509 1.00 0.00 N ATOM 164 CA THR A 4 4.667 9.066 6.395 1.00 0.00 C ATOM 165 C THR A 4 3.777 7.971 5.811 1.00 0.00 C ATOM 166 O THR A 4 3.322 8.069 4.692 1.00 0.00 O ATOM 167 CB THR A 4 4.730 10.244 5.427 1.00 0.00 C ATOM 168 OG1 THR A 4 5.771 11.126 5.817 1.00 0.00 O ATOM 169 CG2 THR A 4 3.395 10.989 5.440 1.00 0.00 C ATOM 0 H THR A 4 6.538 8.386 5.621 1.00 0.00 H new ATOM 0 HA THR A 4 4.256 9.349 7.364 1.00 0.00 H new ATOM 0 HB THR A 4 4.928 9.875 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.811 11.881 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.441 11.830 4.748 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.597 10.312 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.194 11.357 6.446 1.00 0.00 H new ATOM 177 N LYS A 5 3.535 6.929 6.555 1.00 0.00 N ATOM 178 CA LYS A 5 2.687 5.816 6.047 1.00 0.00 C ATOM 179 C LYS A 5 1.401 6.345 5.394 1.00 0.00 C ATOM 180 O LYS A 5 1.110 7.524 5.453 1.00 0.00 O ATOM 181 CB LYS A 5 2.359 4.985 7.289 1.00 0.00 C ATOM 182 CG LYS A 5 1.582 5.843 8.288 1.00 0.00 C ATOM 183 CD LYS A 5 1.042 4.959 9.415 1.00 0.00 C ATOM 184 CE LYS A 5 0.017 3.975 8.847 1.00 0.00 C ATOM 185 NZ LYS A 5 -1.136 4.033 9.789 1.00 0.00 N ATOM 0 H LYS A 5 3.892 6.800 7.502 1.00 0.00 H new ATOM 0 HA LYS A 5 3.196 5.236 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.771 4.111 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.278 4.618 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.230 6.617 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.759 6.350 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.860 4.416 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.581 5.576 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.283 4.257 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.428 2.967 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.735 3.193 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.784 4.057 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.695 4.890 9.601 1.00 0.00 H new ATOM 199 N PRO A 6 0.673 5.444 4.782 1.00 0.00 N ATOM 200 CA PRO A 6 -0.585 5.801 4.100 1.00 0.00 C ATOM 201 C PRO A 6 -1.763 5.732 5.078 1.00 0.00 C ATOM 202 O PRO A 6 -1.768 4.943 6.003 1.00 0.00 O ATOM 203 CB PRO A 6 -0.707 4.729 3.016 1.00 0.00 C ATOM 204 CG PRO A 6 0.093 3.553 3.509 1.00 0.00 C ATOM 205 CD PRO A 6 0.946 4.010 4.673 1.00 0.00 C ATOM 0 HA PRO A 6 -0.590 6.814 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.749 4.453 2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.322 5.091 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.571 2.746 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.721 3.160 2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.681 3.484 5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.003 3.819 4.490 1.00 0.00 H new ATOM 213 N ARG A 7 -2.760 6.549 4.882 1.00 0.00 N ATOM 214 CA ARG A 7 -3.936 6.526 5.801 1.00 0.00 C ATOM 215 C ARG A 7 -4.981 5.534 5.284 1.00 0.00 C ATOM 216 O ARG A 7 -4.809 4.923 4.250 1.00 0.00 O ATOM 217 CB ARG A 7 -4.489 7.952 5.781 1.00 0.00 C ATOM 218 CG ARG A 7 -3.888 8.752 6.939 1.00 0.00 C ATOM 219 CD ARG A 7 -4.304 8.119 8.269 1.00 0.00 C ATOM 220 NE ARG A 7 -4.283 9.240 9.250 1.00 0.00 N ATOM 221 CZ ARG A 7 -4.506 9.004 10.515 1.00 0.00 C ATOM 222 NH1 ARG A 7 -4.049 7.913 11.065 1.00 0.00 N ATOM 223 NH2 ARG A 7 -5.182 9.861 11.230 1.00 0.00 N ATOM 0 H ARG A 7 -2.813 7.232 4.126 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.668 6.213 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.251 8.432 4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.576 7.933 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.801 8.770 6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.228 9.787 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.296 7.672 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.616 7.325 8.561 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.095 10.191 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.518 7.245 10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.223 7.728 12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.537 10.716 10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.356 9.676 12.218 1.00 0.00 H new ATOM 237 N SER A 8 -6.062 5.366 5.995 1.00 0.00 N ATOM 238 CA SER A 8 -7.105 4.410 5.537 1.00 0.00 C ATOM 239 C SER A 8 -8.190 5.136 4.743 1.00 0.00 C ATOM 240 O SER A 8 -8.054 6.289 4.385 1.00 0.00 O ATOM 241 CB SER A 8 -7.693 3.821 6.814 1.00 0.00 C ATOM 242 OG SER A 8 -6.640 3.466 7.695 1.00 0.00 O ATOM 0 H SER A 8 -6.266 5.848 6.870 1.00 0.00 H new ATOM 0 HA SER A 8 -6.692 3.644 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.353 4.545 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.297 2.945 6.579 1.00 0.00 H new ATOM 0 HG SER A 8 -7.015 3.089 8.518 1.00 0.00 H new ATOM 248 N MET A 9 -9.268 4.459 4.464 1.00 0.00 N ATOM 249 CA MET A 9 -10.380 5.076 3.692 1.00 0.00 C ATOM 250 C MET A 9 -11.525 4.078 3.551 1.00 0.00 C ATOM 251 O MET A 9 -11.412 2.924 3.914 1.00 0.00 O ATOM 252 CB MET A 9 -9.793 5.389 2.323 1.00 0.00 C ATOM 253 CG MET A 9 -10.415 6.670 1.769 1.00 0.00 C ATOM 254 SD MET A 9 -9.961 8.074 2.820 1.00 0.00 S ATOM 255 CE MET A 9 -8.287 8.308 2.175 1.00 0.00 C ATOM 0 H MET A 9 -9.427 3.491 4.742 1.00 0.00 H new ATOM 0 HA MET A 9 -10.775 5.967 4.180 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.712 5.503 2.399 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.979 4.560 1.640 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.071 6.841 0.749 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.500 6.570 1.727 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.563 7.932 2.898 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.179 7.764 1.237 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.109 9.369 2.002 1.00 0.00 H new ATOM 265 N THR A 10 -12.622 4.515 3.019 1.00 0.00 N ATOM 266 CA THR A 10 -13.783 3.595 2.839 1.00 0.00 C ATOM 267 C THR A 10 -14.629 4.040 1.648 1.00 0.00 C ATOM 268 O THR A 10 -15.032 5.182 1.551 1.00 0.00 O ATOM 269 CB THR A 10 -14.582 3.702 4.136 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.785 3.240 5.218 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.847 2.846 4.031 1.00 0.00 C ATOM 0 H THR A 10 -12.772 5.471 2.698 1.00 0.00 H new ATOM 0 HA THR A 10 -13.470 2.570 2.640 1.00 0.00 H new ATOM 0 HB THR A 10 -14.863 4.741 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.648 2.273 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.416 2.923 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.457 3.199 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.569 1.806 3.861 1.00 0.00 H new ATOM 279 N VAL A 11 -14.907 3.146 0.743 1.00 0.00 N ATOM 280 CA VAL A 11 -15.732 3.518 -0.434 1.00 0.00 C ATOM 281 C VAL A 11 -16.754 2.419 -0.713 1.00 0.00 C ATOM 282 O VAL A 11 -16.836 1.448 0.007 1.00 0.00 O ATOM 283 CB VAL A 11 -14.738 3.644 -1.581 1.00 0.00 C ATOM 284 CG1 VAL A 11 -13.740 4.757 -1.268 1.00 0.00 C ATOM 285 CG2 VAL A 11 -13.988 2.327 -1.753 1.00 0.00 C ATOM 0 H VAL A 11 -14.598 2.174 0.769 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.292 4.441 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.274 3.880 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.028 4.848 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.273 5.700 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.206 4.519 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.277 2.418 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.453 2.090 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.698 1.530 -1.975 1.00 0.00 H new ATOM 295 N TYR A 12 -17.531 2.558 -1.747 1.00 0.00 N ATOM 296 CA TYR A 12 -18.541 1.508 -2.059 1.00 0.00 C ATOM 297 C TYR A 12 -17.932 0.457 -2.988 1.00 0.00 C ATOM 298 O TYR A 12 -18.401 -0.659 -3.073 1.00 0.00 O ATOM 299 CB TYR A 12 -19.680 2.247 -2.756 1.00 0.00 C ATOM 300 CG TYR A 12 -20.994 1.886 -2.103 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.115 1.892 -0.707 1.00 0.00 C ATOM 302 CD2 TYR A 12 -22.093 1.541 -2.897 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.334 1.554 -0.109 1.00 0.00 C ATOM 304 CE2 TYR A 12 -23.312 1.202 -2.299 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.433 1.209 -0.905 1.00 0.00 C ATOM 306 OH TYR A 12 -24.636 0.876 -0.314 1.00 0.00 O ATOM 0 H TYR A 12 -17.512 3.350 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.885 0.985 -1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.517 3.323 -2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.704 1.984 -3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.267 2.158 -0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -22.001 1.536 -3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.427 1.559 0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -24.159 0.935 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.294 0.664 -1.009 1.00 0.00 H new ATOM 316 N GLU A 13 -16.887 0.806 -3.682 1.00 0.00 N ATOM 317 CA GLU A 13 -16.244 -0.179 -4.601 1.00 0.00 C ATOM 318 C GLU A 13 -14.890 0.356 -5.089 1.00 0.00 C ATOM 319 O GLU A 13 -13.882 0.187 -4.433 1.00 0.00 O ATOM 320 CB GLU A 13 -17.227 -0.390 -5.772 1.00 0.00 C ATOM 321 CG GLU A 13 -17.934 0.922 -6.147 1.00 0.00 C ATOM 322 CD GLU A 13 -18.236 0.928 -7.646 1.00 0.00 C ATOM 323 OE1 GLU A 13 -17.417 0.422 -8.396 1.00 0.00 O ATOM 324 OE2 GLU A 13 -19.279 1.438 -8.019 1.00 0.00 O ATOM 0 H GLU A 13 -16.449 1.727 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.042 -1.126 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.688 -0.776 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.969 -1.140 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.858 1.025 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.305 1.774 -5.889 1.00 0.00 H new ATOM 331 N GLY A 14 -14.845 1.001 -6.225 1.00 0.00 N ATOM 332 CA GLY A 14 -13.546 1.533 -6.722 1.00 0.00 C ATOM 333 C GLY A 14 -13.660 3.042 -6.930 1.00 0.00 C ATOM 334 O GLY A 14 -13.322 3.563 -7.974 1.00 0.00 O ATOM 0 H GLY A 14 -15.649 1.181 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.753 1.313 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.276 1.045 -7.659 1.00 0.00 H new ATOM 338 N GLU A 15 -14.127 3.753 -5.941 1.00 0.00 N ATOM 339 CA GLU A 15 -14.252 5.230 -6.090 1.00 0.00 C ATOM 340 C GLU A 15 -12.900 5.823 -6.499 1.00 0.00 C ATOM 341 O GLU A 15 -12.591 5.933 -7.669 1.00 0.00 O ATOM 342 CB GLU A 15 -14.690 5.736 -4.715 1.00 0.00 C ATOM 343 CG GLU A 15 -16.216 5.697 -4.616 1.00 0.00 C ATOM 344 CD GLU A 15 -16.778 7.108 -4.807 1.00 0.00 C ATOM 345 OE1 GLU A 15 -16.104 8.049 -4.421 1.00 0.00 O ATOM 346 OE2 GLU A 15 -17.872 7.223 -5.334 1.00 0.00 O ATOM 0 H GLU A 15 -14.426 3.378 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.967 5.518 -6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.249 5.119 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.331 6.753 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.623 5.027 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.518 5.302 -3.646 1.00 0.00 H new ATOM 353 N SER A 16 -12.081 6.195 -5.550 1.00 0.00 N ATOM 354 CA SER A 16 -10.744 6.768 -5.900 1.00 0.00 C ATOM 355 C SER A 16 -10.000 7.215 -4.639 1.00 0.00 C ATOM 356 O SER A 16 -9.720 8.382 -4.453 1.00 0.00 O ATOM 357 CB SER A 16 -11.023 7.967 -6.807 1.00 0.00 C ATOM 358 OG SER A 16 -10.339 7.784 -8.038 1.00 0.00 O ATOM 0 H SER A 16 -12.277 6.128 -4.551 1.00 0.00 H new ATOM 0 HA SER A 16 -10.115 6.029 -6.395 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.094 8.065 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.693 8.888 -6.326 1.00 0.00 H new ATOM 0 HG SER A 16 -10.112 6.837 -8.148 1.00 0.00 H new ATOM 364 N ALA A 17 -9.662 6.296 -3.777 1.00 0.00 N ATOM 365 CA ALA A 17 -8.921 6.678 -2.541 1.00 0.00 C ATOM 366 C ALA A 17 -7.417 6.638 -2.819 1.00 0.00 C ATOM 367 O ALA A 17 -6.896 5.650 -3.294 1.00 0.00 O ATOM 368 CB ALA A 17 -9.309 5.626 -1.501 1.00 0.00 C ATOM 0 H ALA A 17 -9.866 5.301 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.162 7.684 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.802 5.840 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.388 5.649 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.015 4.638 -1.855 1.00 0.00 H new ATOM 374 N ARG A 18 -6.719 7.706 -2.544 1.00 0.00 N ATOM 375 CA ARG A 18 -5.251 7.724 -2.816 1.00 0.00 C ATOM 376 C ARG A 18 -4.455 7.558 -1.518 1.00 0.00 C ATOM 377 O ARG A 18 -4.862 8.004 -0.464 1.00 0.00 O ATOM 378 CB ARG A 18 -4.983 9.096 -3.433 1.00 0.00 C ATOM 379 CG ARG A 18 -5.247 9.040 -4.939 1.00 0.00 C ATOM 380 CD ARG A 18 -4.272 9.971 -5.662 1.00 0.00 C ATOM 381 NE ARG A 18 -4.899 10.231 -6.987 1.00 0.00 N ATOM 382 CZ ARG A 18 -4.246 10.898 -7.898 1.00 0.00 C ATOM 383 NH1 ARG A 18 -3.214 10.360 -8.487 1.00 0.00 N ATOM 384 NH2 ARG A 18 -4.623 12.105 -8.220 1.00 0.00 N ATOM 0 H ARG A 18 -7.099 8.564 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.949 6.908 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.623 9.846 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.952 9.396 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.129 8.019 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.274 9.337 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.125 10.897 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.292 9.507 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.839 9.887 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.917 9.417 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.704 10.882 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.429 12.528 -7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.112 12.626 -8.933 1.00 0.00 H new ATOM 398 N PHE A 19 -3.316 6.922 -1.596 1.00 0.00 N ATOM 399 CA PHE A 19 -2.480 6.724 -0.370 1.00 0.00 C ATOM 400 C PHE A 19 -1.002 6.926 -0.700 1.00 0.00 C ATOM 401 O PHE A 19 -0.575 6.729 -1.819 1.00 0.00 O ATOM 402 CB PHE A 19 -2.719 5.274 0.060 1.00 0.00 C ATOM 403 CG PHE A 19 -4.197 5.016 0.167 1.00 0.00 C ATOM 404 CD1 PHE A 19 -4.976 5.790 1.029 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.789 4.013 -0.606 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.350 5.562 1.122 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.164 3.784 -0.517 1.00 0.00 C ATOM 408 CZ PHE A 19 -6.947 4.560 0.348 1.00 0.00 C ATOM 0 H PHE A 19 -2.927 6.531 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.743 7.434 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.272 4.591 -0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.236 5.084 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.516 6.565 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.184 3.416 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.952 6.159 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.623 3.010 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.010 4.385 0.417 1.00 0.00 H new ATOM 418 N SER A 20 -0.208 7.303 0.264 1.00 0.00 N ATOM 419 CA SER A 20 1.242 7.489 -0.013 1.00 0.00 C ATOM 420 C SER A 20 2.073 7.238 1.235 1.00 0.00 C ATOM 421 O SER A 20 1.858 7.825 2.275 1.00 0.00 O ATOM 422 CB SER A 20 1.400 8.931 -0.468 1.00 0.00 C ATOM 423 OG SER A 20 2.738 9.354 -0.225 1.00 0.00 O ATOM 0 H SER A 20 -0.498 7.489 1.224 1.00 0.00 H new ATOM 0 HA SER A 20 1.588 6.785 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.165 9.018 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.700 9.573 0.067 1.00 0.00 H new ATOM 0 HG SER A 20 2.846 10.283 -0.518 1.00 0.00 H new ATOM 429 N CYS A 21 3.040 6.387 1.121 1.00 0.00 N ATOM 430 CA CYS A 21 3.924 6.100 2.278 1.00 0.00 C ATOM 431 C CYS A 21 5.365 6.457 1.919 1.00 0.00 C ATOM 432 O CYS A 21 5.954 5.873 1.044 1.00 0.00 O ATOM 433 CB CYS A 21 3.787 4.604 2.532 1.00 0.00 C ATOM 434 SG CYS A 21 4.185 3.673 1.028 1.00 0.00 S ATOM 0 H CYS A 21 3.261 5.871 0.269 1.00 0.00 H new ATOM 0 HA CYS A 21 3.655 6.678 3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.452 4.303 3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.771 4.374 2.852 1.00 0.00 H new ATOM 0 HG CYS A 21 3.088 3.232 0.488 1.00 0.00 H new ATOM 440 N ASP A 22 5.941 7.411 2.584 1.00 0.00 N ATOM 441 CA ASP A 22 7.346 7.786 2.254 1.00 0.00 C ATOM 442 C ASP A 22 8.296 6.962 3.107 1.00 0.00 C ATOM 443 O ASP A 22 8.401 7.162 4.291 1.00 0.00 O ATOM 444 CB ASP A 22 7.468 9.271 2.589 1.00 0.00 C ATOM 445 CG ASP A 22 6.300 10.050 1.970 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.588 9.475 1.162 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.138 11.209 2.318 1.00 0.00 O ATOM 0 H ASP A 22 5.508 7.947 3.337 1.00 0.00 H new ATOM 0 HA ASP A 22 7.593 7.600 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.474 9.408 3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.414 9.660 2.213 1.00 0.00 H new ATOM 452 N THR A 23 8.964 6.017 2.521 1.00 0.00 N ATOM 453 CA THR A 23 9.880 5.156 3.323 1.00 0.00 C ATOM 454 C THR A 23 11.341 5.390 2.944 1.00 0.00 C ATOM 455 O THR A 23 11.698 5.440 1.784 1.00 0.00 O ATOM 456 CB THR A 23 9.473 3.718 2.991 1.00 0.00 C ATOM 457 OG1 THR A 23 9.889 3.405 1.669 1.00 0.00 O ATOM 458 CG2 THR A 23 7.952 3.566 3.098 1.00 0.00 C ATOM 0 H THR A 23 8.920 5.800 1.525 1.00 0.00 H new ATOM 0 HA THR A 23 9.799 5.377 4.387 1.00 0.00 H new ATOM 0 HB THR A 23 9.949 3.038 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.599 4.022 1.395 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.671 2.540 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.633 3.804 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.468 4.246 2.397 1.00 0.00 H new ATOM 466 N ASP A 24 12.189 5.519 3.923 1.00 0.00 N ATOM 467 CA ASP A 24 13.636 5.736 3.638 1.00 0.00 C ATOM 468 C ASP A 24 14.399 4.414 3.764 1.00 0.00 C ATOM 469 O ASP A 24 14.005 3.528 4.498 1.00 0.00 O ATOM 470 CB ASP A 24 14.104 6.727 4.698 1.00 0.00 C ATOM 471 CG ASP A 24 13.448 8.086 4.454 1.00 0.00 C ATOM 472 OD1 ASP A 24 13.022 8.324 3.336 1.00 0.00 O ATOM 473 OD2 ASP A 24 13.380 8.865 5.390 1.00 0.00 O ATOM 0 H ASP A 24 11.943 5.484 4.912 1.00 0.00 H new ATOM 0 HA ASP A 24 13.809 6.110 2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.847 6.361 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.189 6.824 4.665 1.00 0.00 H new ATOM 478 N GLY A 25 15.487 4.274 3.056 1.00 0.00 N ATOM 479 CA GLY A 25 16.270 3.006 3.137 1.00 0.00 C ATOM 480 C GLY A 25 17.540 3.121 2.288 1.00 0.00 C ATOM 481 O GLY A 25 17.742 4.088 1.579 1.00 0.00 O ATOM 0 H GLY A 25 15.867 4.980 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.533 2.797 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.663 2.171 2.787 1.00 0.00 H new ATOM 485 N GLU A 26 18.398 2.138 2.356 1.00 0.00 N ATOM 486 CA GLU A 26 19.659 2.179 1.557 1.00 0.00 C ATOM 487 C GLU A 26 19.884 0.816 0.866 1.00 0.00 C ATOM 488 O GLU A 26 19.717 -0.208 1.496 1.00 0.00 O ATOM 489 CB GLU A 26 20.758 2.459 2.591 1.00 0.00 C ATOM 490 CG GLU A 26 22.139 2.174 1.990 1.00 0.00 C ATOM 491 CD GLU A 26 22.513 0.715 2.258 1.00 0.00 C ATOM 492 OE1 GLU A 26 22.961 0.437 3.355 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.343 -0.097 1.363 1.00 0.00 O ATOM 0 H GLU A 26 18.280 1.305 2.933 1.00 0.00 H new ATOM 0 HA GLU A 26 19.641 2.932 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.703 3.497 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.603 1.839 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.129 2.368 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.884 2.839 2.428 1.00 0.00 H new ATOM 500 N PRO A 27 20.268 0.826 -0.403 1.00 0.00 N ATOM 501 CA PRO A 27 20.471 2.086 -1.172 1.00 0.00 C ATOM 502 C PRO A 27 19.120 2.680 -1.559 1.00 0.00 C ATOM 503 O PRO A 27 18.938 3.879 -1.597 1.00 0.00 O ATOM 504 CB PRO A 27 21.243 1.637 -2.408 1.00 0.00 C ATOM 505 CG PRO A 27 20.896 0.193 -2.582 1.00 0.00 C ATOM 506 CD PRO A 27 20.562 -0.359 -1.218 1.00 0.00 C ATOM 0 HA PRO A 27 21.000 2.856 -0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.957 2.219 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.316 1.771 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.049 0.081 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.731 -0.352 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.706 -1.033 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.395 -0.928 -0.805 1.00 0.00 H new ATOM 514 N VAL A 28 18.176 1.837 -1.837 1.00 0.00 N ATOM 515 CA VAL A 28 16.821 2.312 -2.213 1.00 0.00 C ATOM 516 C VAL A 28 15.777 1.338 -1.637 1.00 0.00 C ATOM 517 O VAL A 28 15.865 0.147 -1.854 1.00 0.00 O ATOM 518 CB VAL A 28 16.821 2.306 -3.746 1.00 0.00 C ATOM 519 CG1 VAL A 28 15.386 2.368 -4.274 1.00 0.00 C ATOM 520 CG2 VAL A 28 17.592 3.528 -4.249 1.00 0.00 C ATOM 0 H VAL A 28 18.285 0.823 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 28 16.578 3.302 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 28 17.293 1.389 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.399 2.363 -5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.828 1.504 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.908 3.281 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.597 3.532 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.112 4.436 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.617 3.488 -3.882 1.00 0.00 H new ATOM 530 N PRO A 29 14.832 1.871 -0.903 1.00 0.00 N ATOM 531 CA PRO A 29 13.789 1.020 -0.282 1.00 0.00 C ATOM 532 C PRO A 29 12.788 0.519 -1.327 1.00 0.00 C ATOM 533 O PRO A 29 12.756 0.977 -2.452 1.00 0.00 O ATOM 534 CB PRO A 29 13.101 1.960 0.704 1.00 0.00 C ATOM 535 CG PRO A 29 13.332 3.330 0.160 1.00 0.00 C ATOM 536 CD PRO A 29 14.640 3.293 -0.584 1.00 0.00 C ATOM 0 HA PRO A 29 14.203 0.128 0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.036 1.741 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.520 1.857 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.519 3.624 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.367 4.064 0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.602 3.902 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.457 3.678 0.026 1.00 0.00 H new ATOM 544 N THR A 30 11.963 -0.417 -0.945 1.00 0.00 N ATOM 545 CA THR A 30 10.942 -0.965 -1.882 1.00 0.00 C ATOM 546 C THR A 30 9.573 -0.959 -1.193 1.00 0.00 C ATOM 547 O THR A 30 9.439 -0.481 -0.083 1.00 0.00 O ATOM 548 CB THR A 30 11.404 -2.398 -2.172 1.00 0.00 C ATOM 549 OG1 THR A 30 10.465 -3.040 -3.028 1.00 0.00 O ATOM 550 CG2 THR A 30 11.524 -3.172 -0.856 1.00 0.00 C ATOM 0 H THR A 30 11.953 -0.830 -0.012 1.00 0.00 H new ATOM 0 HA THR A 30 10.846 -0.384 -2.799 1.00 0.00 H new ATOM 0 HB THR A 30 12.376 -2.374 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.763 -3.955 -3.213 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.852 -4.191 -1.062 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.251 -2.680 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.554 -3.197 -0.359 1.00 0.00 H new ATOM 558 N VAL A 31 8.554 -1.475 -1.828 1.00 0.00 N ATOM 559 CA VAL A 31 7.212 -1.476 -1.177 1.00 0.00 C ATOM 560 C VAL A 31 6.409 -2.719 -1.568 1.00 0.00 C ATOM 561 O VAL A 31 6.490 -3.196 -2.683 1.00 0.00 O ATOM 562 CB VAL A 31 6.522 -0.185 -1.675 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.678 -0.443 -2.935 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.603 0.351 -0.583 1.00 0.00 C ATOM 0 H VAL A 31 8.591 -1.891 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 31 7.288 -1.501 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 31 7.303 0.536 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.209 0.487 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.320 -0.819 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.907 -1.180 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.116 1.261 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.847 -0.397 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.189 0.572 0.309 1.00 0.00 H new ATOM 574 N THR A 32 5.593 -3.207 -0.682 1.00 0.00 N ATOM 575 CA THR A 32 4.744 -4.366 -1.032 1.00 0.00 C ATOM 576 C THR A 32 3.413 -4.221 -0.310 1.00 0.00 C ATOM 577 O THR A 32 3.325 -4.398 0.877 1.00 0.00 O ATOM 578 CB THR A 32 5.494 -5.602 -0.549 1.00 0.00 C ATOM 579 OG1 THR A 32 6.860 -5.505 -0.930 1.00 0.00 O ATOM 580 CG2 THR A 32 4.868 -6.852 -1.174 1.00 0.00 C ATOM 0 H THR A 32 5.479 -2.852 0.267 1.00 0.00 H new ATOM 0 HA THR A 32 4.545 -4.437 -2.101 1.00 0.00 H new ATOM 0 HB THR A 32 5.428 -5.671 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.344 -6.298 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.403 -7.737 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.821 -6.922 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.934 -6.788 -2.260 1.00 0.00 H new ATOM 588 N TRP A 33 2.379 -3.895 -1.015 1.00 0.00 N ATOM 589 CA TRP A 33 1.057 -3.727 -0.350 1.00 0.00 C ATOM 590 C TRP A 33 0.374 -5.088 -0.270 1.00 0.00 C ATOM 591 O TRP A 33 0.115 -5.713 -1.269 1.00 0.00 O ATOM 592 CB TRP A 33 0.278 -2.774 -1.253 1.00 0.00 C ATOM 593 CG TRP A 33 1.034 -1.496 -1.406 1.00 0.00 C ATOM 594 CD1 TRP A 33 2.063 -1.320 -2.250 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.842 -0.227 -0.726 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.530 -0.022 -2.130 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.807 0.694 -1.199 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.064 0.204 0.245 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.870 2.006 -0.718 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.011 1.523 0.736 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.957 2.421 0.253 1.00 0.00 C ATOM 0 H TRP A 33 2.385 -3.736 -2.023 1.00 0.00 H new ATOM 0 HA TRP A 33 1.130 -3.335 0.664 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.117 -3.232 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.706 -2.577 -0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.463 -2.071 -2.916 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.312 0.358 -2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.811 -0.479 0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.617 2.690 -1.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.717 1.846 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.994 3.431 0.633 1.00 0.00 H new ATOM 612 N LEU A 34 0.113 -5.569 0.913 1.00 0.00 N ATOM 613 CA LEU A 34 -0.542 -6.909 1.033 1.00 0.00 C ATOM 614 C LEU A 34 -1.278 -7.049 2.368 1.00 0.00 C ATOM 615 O LEU A 34 -0.860 -6.515 3.376 1.00 0.00 O ATOM 616 CB LEU A 34 0.590 -7.935 0.890 1.00 0.00 C ATOM 617 CG LEU A 34 1.394 -8.047 2.186 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.407 -9.180 2.045 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.128 -6.732 2.448 1.00 0.00 C ATOM 0 H LEU A 34 0.321 -5.101 1.795 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.303 -7.057 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.173 -8.908 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.249 -7.643 0.073 1.00 0.00 H new ATOM 0 HG LEU A 34 0.723 -8.254 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.985 -9.268 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.882 -10.116 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.078 -8.966 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.701 -6.813 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.804 -6.521 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.403 -5.923 2.540 1.00 0.00 H new ATOM 631 N ARG A 35 -2.360 -7.778 2.391 1.00 0.00 N ATOM 632 CA ARG A 35 -3.095 -7.962 3.661 1.00 0.00 C ATOM 633 C ARG A 35 -4.013 -9.183 3.565 1.00 0.00 C ATOM 634 O ARG A 35 -5.219 -9.072 3.651 1.00 0.00 O ATOM 635 CB ARG A 35 -3.899 -6.684 3.826 1.00 0.00 C ATOM 636 CG ARG A 35 -4.683 -6.724 5.138 1.00 0.00 C ATOM 637 CD ARG A 35 -3.740 -6.997 6.315 1.00 0.00 C ATOM 638 NE ARG A 35 -4.040 -5.925 7.302 1.00 0.00 N ATOM 639 CZ ARG A 35 -4.150 -6.220 8.569 1.00 0.00 C ATOM 640 NH1 ARG A 35 -3.334 -7.081 9.113 1.00 0.00 N ATOM 641 NH2 ARG A 35 -5.076 -5.651 9.290 1.00 0.00 N ATOM 0 H ARG A 35 -2.762 -8.252 1.582 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.435 -8.138 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.232 -5.822 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.584 -6.565 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.199 -5.776 5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.448 -7.499 5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.914 -7.985 6.740 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.697 -6.964 6.001 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.160 -4.961 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.609 -7.524 8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.421 -7.311 10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.712 -4.977 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.164 -5.880 10.280 1.00 0.00 H new ATOM 655 N LYS A 36 -3.459 -10.350 3.375 1.00 0.00 N ATOM 656 CA LYS A 36 -4.314 -11.571 3.268 1.00 0.00 C ATOM 657 C LYS A 36 -5.388 -11.373 2.198 1.00 0.00 C ATOM 658 O LYS A 36 -6.413 -12.025 2.200 1.00 0.00 O ATOM 659 CB LYS A 36 -4.959 -11.710 4.640 1.00 0.00 C ATOM 660 CG LYS A 36 -5.736 -13.025 4.718 1.00 0.00 C ATOM 661 CD LYS A 36 -7.232 -12.725 4.839 1.00 0.00 C ATOM 662 CE LYS A 36 -8.032 -14.014 4.627 1.00 0.00 C ATOM 663 NZ LYS A 36 -8.731 -13.824 3.325 1.00 0.00 N ATOM 0 H LYS A 36 -2.456 -10.512 3.289 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.742 -12.455 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.194 -11.683 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.629 -10.870 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.545 -13.626 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.400 -13.608 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.451 -12.306 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.524 -11.978 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.377 -14.885 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.743 -14.175 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.955 -14.752 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.611 -13.292 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.115 -13.295 2.674 1.00 0.00 H new ATOM 677 N GLY A 37 -5.161 -10.472 1.290 1.00 0.00 N ATOM 678 CA GLY A 37 -6.165 -10.221 0.226 1.00 0.00 C ATOM 679 C GLY A 37 -5.478 -10.130 -1.137 1.00 0.00 C ATOM 680 O GLY A 37 -5.744 -9.230 -1.907 1.00 0.00 O ATOM 0 H GLY A 37 -4.321 -9.896 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.904 -11.023 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.702 -9.295 0.433 1.00 0.00 H new ATOM 684 N GLN A 38 -4.596 -11.053 -1.435 1.00 0.00 N ATOM 685 CA GLN A 38 -3.882 -11.040 -2.745 1.00 0.00 C ATOM 686 C GLN A 38 -3.073 -9.751 -2.894 1.00 0.00 C ATOM 687 O GLN A 38 -3.600 -8.661 -2.811 1.00 0.00 O ATOM 688 CB GLN A 38 -4.977 -11.155 -3.820 1.00 0.00 C ATOM 689 CG GLN A 38 -4.383 -10.879 -5.206 1.00 0.00 C ATOM 690 CD GLN A 38 -3.200 -11.816 -5.464 1.00 0.00 C ATOM 691 OE1 GLN A 38 -2.277 -11.463 -6.172 1.00 0.00 O ATOM 692 NE2 GLN A 38 -3.187 -13.003 -4.921 1.00 0.00 N ATOM 0 H GLN A 38 -4.339 -11.823 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.169 -11.859 -2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.418 -12.152 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.779 -10.447 -3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.145 -11.022 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.056 -9.841 -5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.961 -13.300 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.403 -13.633 -5.091 1.00 0.00 H new ATOM 701 N VAL A 39 -1.787 -9.894 -3.095 1.00 0.00 N ATOM 702 CA VAL A 39 -0.871 -8.707 -3.243 1.00 0.00 C ATOM 703 C VAL A 39 -1.569 -7.520 -3.926 1.00 0.00 C ATOM 704 O VAL A 39 -1.886 -7.546 -5.100 1.00 0.00 O ATOM 705 CB VAL A 39 0.304 -9.201 -4.093 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.946 -10.421 -3.430 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.198 -9.582 -5.488 1.00 0.00 C ATOM 0 H VAL A 39 -1.319 -10.798 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.551 -8.341 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 39 1.045 -8.406 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.781 -10.768 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.308 -10.148 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.207 -11.217 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.638 -9.933 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.942 -10.374 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.648 -8.710 -5.963 1.00 0.00 H new ATOM 717 N LEU A 40 -1.793 -6.482 -3.173 1.00 0.00 N ATOM 718 CA LEU A 40 -2.457 -5.251 -3.701 1.00 0.00 C ATOM 719 C LEU A 40 -1.762 -4.818 -4.991 1.00 0.00 C ATOM 720 O LEU A 40 -2.368 -4.280 -5.896 1.00 0.00 O ATOM 721 CB LEU A 40 -2.232 -4.183 -2.615 1.00 0.00 C ATOM 722 CG LEU A 40 -3.387 -4.144 -1.600 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.389 -5.404 -0.745 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.190 -2.953 -0.665 1.00 0.00 C ATOM 0 H LEU A 40 -1.538 -6.431 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.514 -5.406 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.297 -4.387 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.128 -3.205 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.325 -4.066 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.213 -5.359 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.510 -6.278 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.445 -5.478 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.005 -2.919 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.242 -3.057 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.182 -2.031 -1.247 1.00 0.00 H new ATOM 736 N SER A 41 -0.479 -5.048 -5.052 1.00 0.00 N ATOM 737 CA SER A 41 0.334 -4.663 -6.247 1.00 0.00 C ATOM 738 C SER A 41 -0.412 -4.910 -7.559 1.00 0.00 C ATOM 739 O SER A 41 -0.366 -5.995 -8.103 1.00 0.00 O ATOM 740 CB SER A 41 1.561 -5.562 -6.175 1.00 0.00 C ATOM 741 OG SER A 41 1.142 -6.901 -5.943 1.00 0.00 O ATOM 0 H SER A 41 0.054 -5.497 -4.307 1.00 0.00 H new ATOM 0 HA SER A 41 0.572 -3.599 -6.235 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.128 -5.501 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.224 -5.231 -5.375 1.00 0.00 H new ATOM 0 HG SER A 41 0.569 -7.197 -6.681 1.00 0.00 H new ATOM 747 N THR A 42 -1.068 -3.887 -8.072 1.00 0.00 N ATOM 748 CA THR A 42 -1.822 -3.975 -9.368 1.00 0.00 C ATOM 749 C THR A 42 -2.280 -5.404 -9.672 1.00 0.00 C ATOM 750 O THR A 42 -2.124 -5.899 -10.771 1.00 0.00 O ATOM 751 CB THR A 42 -0.831 -3.497 -10.430 1.00 0.00 C ATOM 752 OG1 THR A 42 0.158 -4.495 -10.638 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.158 -2.193 -9.988 1.00 0.00 C ATOM 0 H THR A 42 -1.111 -2.969 -7.630 1.00 0.00 H new ATOM 0 HA THR A 42 -2.731 -3.374 -9.336 1.00 0.00 H new ATOM 0 HB THR A 42 -1.372 -3.315 -11.358 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.243 -5.262 -11.097 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.544 -1.867 -10.756 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.916 -1.424 -9.840 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.378 -2.359 -9.053 1.00 0.00 H new ATOM 761 N SER A 43 -2.824 -6.073 -8.699 1.00 0.00 N ATOM 762 CA SER A 43 -3.271 -7.475 -8.925 1.00 0.00 C ATOM 763 C SER A 43 -4.203 -7.555 -10.135 1.00 0.00 C ATOM 764 O SER A 43 -4.085 -8.433 -10.965 1.00 0.00 O ATOM 765 CB SER A 43 -4.004 -7.865 -7.650 1.00 0.00 C ATOM 766 OG SER A 43 -3.531 -9.129 -7.214 1.00 0.00 O ATOM 0 H SER A 43 -2.979 -5.712 -7.758 1.00 0.00 H new ATOM 0 HA SER A 43 -2.436 -8.143 -9.135 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.840 -7.114 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.078 -7.907 -7.831 1.00 0.00 H new ATOM 0 HG SER A 43 -2.743 -9.005 -6.644 1.00 0.00 H new ATOM 772 N ALA A 44 -5.128 -6.639 -10.240 1.00 0.00 N ATOM 773 CA ALA A 44 -6.077 -6.648 -11.398 1.00 0.00 C ATOM 774 C ALA A 44 -7.116 -5.540 -11.229 1.00 0.00 C ATOM 775 O ALA A 44 -7.590 -4.963 -12.187 1.00 0.00 O ATOM 776 CB ALA A 44 -6.760 -8.020 -11.364 1.00 0.00 C ATOM 0 H ALA A 44 -5.270 -5.881 -9.573 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.564 -6.477 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.470 -8.094 -12.188 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.008 -8.803 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.288 -8.140 -10.418 1.00 0.00 H new ATOM 782 N ARG A 45 -7.475 -5.247 -10.014 1.00 0.00 N ATOM 783 CA ARG A 45 -8.493 -4.181 -9.763 1.00 0.00 C ATOM 784 C ARG A 45 -7.834 -2.983 -9.075 1.00 0.00 C ATOM 785 O ARG A 45 -8.356 -1.885 -9.079 1.00 0.00 O ATOM 786 CB ARG A 45 -9.543 -4.809 -8.831 1.00 0.00 C ATOM 787 CG ARG A 45 -9.783 -6.280 -9.194 1.00 0.00 C ATOM 788 CD ARG A 45 -10.903 -6.845 -8.320 1.00 0.00 C ATOM 789 NE ARG A 45 -10.346 -8.099 -7.740 1.00 0.00 N ATOM 790 CZ ARG A 45 -11.137 -8.944 -7.135 1.00 0.00 C ATOM 791 NH1 ARG A 45 -11.457 -8.756 -5.885 1.00 0.00 N ATOM 792 NH2 ARG A 45 -11.606 -9.977 -7.779 1.00 0.00 N ATOM 0 H ARG A 45 -7.108 -5.699 -9.176 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.941 -3.827 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.208 -4.735 -7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.479 -4.254 -8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.050 -6.367 -10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.869 -6.855 -9.049 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.186 -6.141 -7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.799 -7.046 -8.908 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.348 -8.297 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.090 -7.949 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.075 -9.416 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.355 -10.126 -8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.224 -10.636 -7.305 1.00 0.00 H new ATOM 806 N HIS A 46 -6.694 -3.190 -8.477 1.00 0.00 N ATOM 807 CA HIS A 46 -5.998 -2.072 -7.780 1.00 0.00 C ATOM 808 C HIS A 46 -4.851 -1.551 -8.648 1.00 0.00 C ATOM 809 O HIS A 46 -4.491 -2.148 -9.643 1.00 0.00 O ATOM 810 CB HIS A 46 -5.429 -2.626 -6.452 1.00 0.00 C ATOM 811 CG HIS A 46 -5.922 -4.022 -6.125 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.948 -4.246 -5.226 1.00 0.00 N ATOM 813 CD2 HIS A 46 -5.527 -5.265 -6.556 1.00 0.00 C ATOM 814 CE1 HIS A 46 -7.136 -5.576 -5.142 1.00 0.00 C ATOM 815 NE2 HIS A 46 -6.296 -6.244 -5.933 1.00 0.00 N ATOM 0 H HIS A 46 -6.213 -4.088 -8.441 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.692 -1.253 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.340 -2.636 -6.507 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.701 -1.952 -5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.739 -5.454 -7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.877 -6.045 -4.511 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.231 -7.255 -6.055 1.00 0.00 H new ATOM 823 N GLN A 47 -4.268 -0.445 -8.272 1.00 0.00 N ATOM 824 CA GLN A 47 -3.137 0.109 -9.068 1.00 0.00 C ATOM 825 C GLN A 47 -2.128 0.781 -8.135 1.00 0.00 C ATOM 826 O GLN A 47 -2.295 1.919 -7.743 1.00 0.00 O ATOM 827 CB GLN A 47 -3.772 1.139 -10.003 1.00 0.00 C ATOM 828 CG GLN A 47 -2.725 1.632 -11.003 1.00 0.00 C ATOM 829 CD GLN A 47 -1.938 2.794 -10.391 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.468 3.873 -10.210 1.00 0.00 O ATOM 831 NE2 GLN A 47 -0.688 2.618 -10.059 1.00 0.00 N ATOM 0 H GLN A 47 -4.526 0.098 -7.448 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.601 -0.662 -9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.615 0.695 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.163 1.977 -9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.048 0.819 -11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.210 1.954 -11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.243 1.713 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.157 3.385 -9.648 1.00 0.00 H new ATOM 840 N VAL A 48 -1.082 0.091 -7.770 1.00 0.00 N ATOM 841 CA VAL A 48 -0.077 0.708 -6.862 1.00 0.00 C ATOM 842 C VAL A 48 1.110 1.237 -7.680 1.00 0.00 C ATOM 843 O VAL A 48 1.258 0.936 -8.847 1.00 0.00 O ATOM 844 CB VAL A 48 0.332 -0.418 -5.880 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.743 -0.959 -6.170 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.299 0.137 -4.457 1.00 0.00 C ATOM 0 H VAL A 48 -0.882 -0.866 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.467 1.566 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.372 -1.241 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.985 -1.746 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.777 -1.364 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.469 -0.151 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.585 -0.646 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.997 0.971 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.708 0.483 -4.225 1.00 0.00 H new ATOM 856 N THR A 49 1.958 2.007 -7.066 1.00 0.00 N ATOM 857 CA THR A 49 3.144 2.545 -7.793 1.00 0.00 C ATOM 858 C THR A 49 4.290 2.776 -6.809 1.00 0.00 C ATOM 859 O THR A 49 4.084 2.850 -5.616 1.00 0.00 O ATOM 860 CB THR A 49 2.678 3.867 -8.407 1.00 0.00 C ATOM 861 OG1 THR A 49 3.793 4.544 -8.966 1.00 0.00 O ATOM 862 CG2 THR A 49 2.042 4.736 -7.324 1.00 0.00 C ATOM 0 H THR A 49 1.884 2.290 -6.089 1.00 0.00 H new ATOM 0 HA THR A 49 3.510 1.860 -8.558 1.00 0.00 H new ATOM 0 HB THR A 49 1.944 3.668 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.497 5.390 -9.362 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.710 5.678 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.187 4.214 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.774 4.937 -6.542 1.00 0.00 H new ATOM 870 N THR A 50 5.496 2.888 -7.291 1.00 0.00 N ATOM 871 CA THR A 50 6.646 3.110 -6.363 1.00 0.00 C ATOM 872 C THR A 50 7.697 3.998 -7.039 1.00 0.00 C ATOM 873 O THR A 50 7.992 3.837 -8.206 1.00 0.00 O ATOM 874 CB THR A 50 7.237 1.717 -6.096 1.00 0.00 C ATOM 875 OG1 THR A 50 7.980 1.300 -7.232 1.00 0.00 O ATOM 876 CG2 THR A 50 6.121 0.702 -5.821 1.00 0.00 C ATOM 0 H THR A 50 5.737 2.836 -8.281 1.00 0.00 H new ATOM 0 HA THR A 50 6.334 3.603 -5.442 1.00 0.00 H new ATOM 0 HB THR A 50 7.886 1.771 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.361 0.412 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.559 -0.279 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.550 1.017 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.460 0.645 -6.686 1.00 0.00 H new ATOM 884 N THR A 51 8.271 4.926 -6.321 1.00 0.00 N ATOM 885 CA THR A 51 9.305 5.802 -6.942 1.00 0.00 C ATOM 886 C THR A 51 10.641 5.645 -6.192 1.00 0.00 C ATOM 887 O THR A 51 11.021 4.553 -5.820 1.00 0.00 O ATOM 888 CB THR A 51 8.735 7.226 -6.832 1.00 0.00 C ATOM 889 OG1 THR A 51 9.483 8.105 -7.662 1.00 0.00 O ATOM 890 CG2 THR A 51 8.795 7.713 -5.385 1.00 0.00 C ATOM 0 H THR A 51 8.070 5.114 -5.339 1.00 0.00 H new ATOM 0 HA THR A 51 9.515 5.550 -7.981 1.00 0.00 H new ATOM 0 HB THR A 51 7.694 7.214 -7.156 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.117 9.011 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.388 8.722 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.209 7.046 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.831 7.718 -5.046 1.00 0.00 H new ATOM 898 N LYS A 52 11.360 6.714 -5.976 1.00 0.00 N ATOM 899 CA LYS A 52 12.666 6.598 -5.263 1.00 0.00 C ATOM 900 C LYS A 52 12.471 6.008 -3.857 1.00 0.00 C ATOM 901 O LYS A 52 12.562 4.812 -3.665 1.00 0.00 O ATOM 902 CB LYS A 52 13.206 8.028 -5.197 1.00 0.00 C ATOM 903 CG LYS A 52 13.453 8.543 -6.616 1.00 0.00 C ATOM 904 CD LYS A 52 14.220 9.865 -6.554 1.00 0.00 C ATOM 905 CE LYS A 52 13.332 10.999 -7.075 1.00 0.00 C ATOM 906 NZ LYS A 52 12.158 11.036 -6.154 1.00 0.00 N ATOM 0 H LYS A 52 11.101 7.659 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 52 13.357 5.928 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.495 8.674 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.132 8.053 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.020 7.808 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.504 8.685 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.527 10.071 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.129 9.798 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.865 11.950 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.020 10.813 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.753 11.994 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.440 10.358 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.463 10.782 -5.193 1.00 0.00 H new ATOM 920 N TYR A 53 12.214 6.828 -2.870 1.00 0.00 N ATOM 921 CA TYR A 53 12.028 6.293 -1.487 1.00 0.00 C ATOM 922 C TYR A 53 10.603 6.538 -1.002 1.00 0.00 C ATOM 923 O TYR A 53 10.348 6.636 0.179 1.00 0.00 O ATOM 924 CB TYR A 53 12.998 7.079 -0.619 1.00 0.00 C ATOM 925 CG TYR A 53 14.399 6.970 -1.171 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.766 7.728 -2.287 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.329 6.119 -0.567 1.00 0.00 C ATOM 928 CE1 TYR A 53 16.060 7.636 -2.804 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.626 6.025 -1.082 1.00 0.00 C ATOM 930 CZ TYR A 53 16.993 6.784 -2.202 1.00 0.00 C ATOM 931 OH TYR A 53 18.274 6.692 -2.709 1.00 0.00 O ATOM 0 H TYR A 53 12.125 7.840 -2.961 1.00 0.00 H new ATOM 0 HA TYR A 53 12.206 5.218 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.696 8.125 -0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.972 6.700 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.047 8.387 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 53 15.046 5.535 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.340 8.221 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.345 5.367 -0.617 1.00 0.00 H new ATOM 0 HH TYR A 53 18.673 5.839 -2.437 1.00 0.00 H new ATOM 941 N LYS A 54 9.679 6.649 -1.900 1.00 0.00 N ATOM 942 CA LYS A 54 8.268 6.900 -1.482 1.00 0.00 C ATOM 943 C LYS A 54 7.303 6.174 -2.419 1.00 0.00 C ATOM 944 O LYS A 54 7.398 6.271 -3.625 1.00 0.00 O ATOM 945 CB LYS A 54 8.035 8.430 -1.538 1.00 0.00 C ATOM 946 CG LYS A 54 9.079 9.145 -2.417 1.00 0.00 C ATOM 947 CD LYS A 54 8.447 10.381 -3.058 1.00 0.00 C ATOM 948 CE LYS A 54 8.564 11.568 -2.100 1.00 0.00 C ATOM 949 NZ LYS A 54 7.279 12.308 -2.246 1.00 0.00 N ATOM 0 H LYS A 54 9.830 6.578 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 54 8.091 6.526 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.037 8.630 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.071 8.839 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.940 9.435 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.444 8.468 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.945 10.610 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.399 10.188 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.713 11.234 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.415 12.200 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.283 13.138 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.168 12.620 -3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.488 11.684 -1.989 1.00 0.00 H new ATOM 963 N SER A 55 6.378 5.442 -1.871 1.00 0.00 N ATOM 964 CA SER A 55 5.413 4.711 -2.722 1.00 0.00 C ATOM 965 C SER A 55 4.023 5.313 -2.597 1.00 0.00 C ATOM 966 O SER A 55 3.767 6.150 -1.761 1.00 0.00 O ATOM 967 CB SER A 55 5.401 3.283 -2.198 1.00 0.00 C ATOM 968 OG SER A 55 5.611 2.416 -3.289 1.00 0.00 O ATOM 0 H SER A 55 6.251 5.320 -0.866 1.00 0.00 H new ATOM 0 HA SER A 55 5.697 4.762 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.179 3.146 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.449 3.063 -1.714 1.00 0.00 H new ATOM 0 HG SER A 55 5.010 2.662 -4.023 1.00 0.00 H new ATOM 974 N THR A 56 3.122 4.882 -3.424 1.00 0.00 N ATOM 975 CA THR A 56 1.739 5.414 -3.353 1.00 0.00 C ATOM 976 C THR A 56 0.750 4.374 -3.871 1.00 0.00 C ATOM 977 O THR A 56 0.951 3.772 -4.910 1.00 0.00 O ATOM 978 CB THR A 56 1.750 6.661 -4.233 1.00 0.00 C ATOM 979 OG1 THR A 56 2.554 6.424 -5.377 1.00 0.00 O ATOM 980 CG2 THR A 56 2.333 7.828 -3.447 1.00 0.00 C ATOM 0 H THR A 56 3.283 4.182 -4.149 1.00 0.00 H new ATOM 0 HA THR A 56 1.431 5.650 -2.334 1.00 0.00 H new ATOM 0 HB THR A 56 0.732 6.896 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.560 7.224 -5.944 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.342 8.720 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.723 8.012 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.352 7.588 -3.142 1.00 0.00 H new ATOM 988 N PHE A 57 -0.313 4.157 -3.153 1.00 0.00 N ATOM 989 CA PHE A 57 -1.313 3.157 -3.600 1.00 0.00 C ATOM 990 C PHE A 57 -2.680 3.817 -3.769 1.00 0.00 C ATOM 991 O PHE A 57 -3.176 4.473 -2.877 1.00 0.00 O ATOM 992 CB PHE A 57 -1.348 2.110 -2.480 1.00 0.00 C ATOM 993 CG PHE A 57 -2.502 1.149 -2.686 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.872 0.758 -3.980 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.193 0.643 -1.579 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.930 -0.136 -4.166 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.251 -0.253 -1.766 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.619 -0.644 -3.059 1.00 0.00 C ATOM 0 H PHE A 57 -0.531 4.630 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.058 2.714 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.408 1.559 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.448 2.605 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.339 1.148 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.910 0.944 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.216 -0.435 -5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.784 -0.644 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.434 -1.338 -3.202 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.299 3.640 -4.900 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.639 4.254 -5.107 1.00 0.00 C ATOM 1010 C GLU A 58 -5.619 3.203 -5.649 1.00 0.00 C ATOM 1011 O GLU A 58 -5.278 2.408 -6.502 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.416 5.383 -6.126 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.157 4.805 -7.523 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.439 4.894 -8.356 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.500 5.035 -7.765 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.342 4.821 -9.569 1.00 0.00 O ATOM 0 H GLU A 58 -2.939 3.100 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.069 4.637 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.289 6.035 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.570 5.997 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.353 5.355 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.832 3.767 -7.445 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.829 3.191 -5.166 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.814 2.190 -5.673 1.00 0.00 C ATOM 1025 C ILE A 59 -8.972 2.902 -6.366 1.00 0.00 C ATOM 1026 O ILE A 59 -9.432 3.938 -5.930 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.316 1.428 -4.448 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.123 0.931 -3.626 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.154 0.230 -4.907 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.620 0.126 -2.424 1.00 0.00 C ATOM 0 H ILE A 59 -7.179 3.825 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.362 1.515 -6.400 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.926 2.089 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.475 0.312 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.526 1.777 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.514 -0.317 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.004 0.583 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.540 -0.429 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.767 -0.225 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.250 0.758 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.198 -0.730 -2.773 1.00 0.00 H new ATOM 1042 N SER A 60 -9.442 2.351 -7.443 1.00 0.00 N ATOM 1043 CA SER A 60 -10.573 2.994 -8.174 1.00 0.00 C ATOM 1044 C SER A 60 -11.408 1.951 -8.926 1.00 0.00 C ATOM 1045 O SER A 60 -12.256 2.288 -9.728 1.00 0.00 O ATOM 1046 CB SER A 60 -9.909 3.959 -9.153 1.00 0.00 C ATOM 1047 OG SER A 60 -9.548 5.148 -8.463 1.00 0.00 O ATOM 0 H SER A 60 -9.096 1.484 -7.853 1.00 0.00 H new ATOM 0 HA SER A 60 -11.259 3.501 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.026 3.498 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.590 4.192 -9.972 1.00 0.00 H new ATOM 0 HG SER A 60 -8.598 5.113 -8.225 1.00 0.00 H new ATOM 1053 N SER A 61 -11.178 0.690 -8.674 1.00 0.00 N ATOM 1054 CA SER A 61 -11.955 -0.371 -9.363 1.00 0.00 C ATOM 1055 C SER A 61 -11.843 -1.658 -8.564 1.00 0.00 C ATOM 1056 O SER A 61 -10.768 -2.065 -8.170 1.00 0.00 O ATOM 1057 CB SER A 61 -11.310 -0.549 -10.734 1.00 0.00 C ATOM 1058 OG SER A 61 -10.802 0.697 -11.191 1.00 0.00 O ATOM 0 H SER A 61 -10.478 0.351 -8.014 1.00 0.00 H new ATOM 0 HA SER A 61 -13.010 -0.113 -9.458 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.505 -1.281 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.042 -0.936 -11.443 1.00 0.00 H new ATOM 0 HG SER A 61 -11.472 1.397 -11.044 1.00 0.00 H new ATOM 1064 N VAL A 62 -12.941 -2.290 -8.303 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.894 -3.540 -7.508 1.00 0.00 C ATOM 1066 C VAL A 62 -14.224 -4.301 -7.626 1.00 0.00 C ATOM 1067 O VAL A 62 -15.290 -3.728 -7.520 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.625 -3.045 -6.082 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.907 -2.485 -5.452 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.098 -4.201 -5.231 1.00 0.00 C ATOM 0 H VAL A 62 -13.871 -1.998 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.134 -4.247 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.882 -2.249 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.694 -2.139 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.273 -1.651 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.666 -3.266 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.907 -3.849 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.839 -5.000 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.172 -4.579 -5.664 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.905 -6.653 0.949 1.00 0.00 N ATOM 1131 CA GLU A 67 -13.102 -6.307 2.397 1.00 0.00 C ATOM 1132 C GLU A 67 -12.705 -4.855 2.697 1.00 0.00 C ATOM 1133 O GLU A 67 -13.141 -3.950 2.022 1.00 0.00 O ATOM 1134 CB GLU A 67 -12.250 -7.295 3.189 1.00 0.00 C ATOM 1135 CG GLU A 67 -10.771 -7.158 2.816 1.00 0.00 C ATOM 1136 CD GLU A 67 -9.920 -7.941 3.818 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -10.228 -9.097 4.052 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -8.974 -7.368 4.334 1.00 0.00 O ATOM 0 HA GLU A 67 -14.153 -6.383 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.378 -7.118 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.587 -8.313 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.603 -7.534 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.480 -6.108 2.817 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.898 -4.620 3.709 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.516 -3.230 4.034 1.00 0.00 C ATOM 1147 C GLY A 68 -10.119 -3.133 4.644 1.00 0.00 C ATOM 1148 O GLY A 68 -9.549 -2.089 4.636 1.00 0.00 O ATOM 0 H GLY A 68 -11.496 -5.336 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.556 -2.625 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.242 -2.811 4.730 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.556 -4.169 5.188 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.193 -4.014 5.787 1.00 0.00 C ATOM 1154 C ASN A 69 -7.085 -4.344 4.778 1.00 0.00 C ATOM 1155 O ASN A 69 -7.025 -5.422 4.220 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.164 -4.978 6.957 1.00 0.00 C ATOM 1157 CG ASN A 69 -8.800 -4.318 8.180 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -9.754 -3.575 8.055 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -8.313 -4.559 9.366 1.00 0.00 N ATOM 0 H ASN A 69 -9.964 -5.102 5.248 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.010 -2.985 6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.702 -5.891 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.136 -5.265 7.179 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.733 -4.124 10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.513 -5.182 9.472 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.201 -3.405 4.564 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.059 -3.602 3.619 1.00 0.00 C ATOM 1168 C TYR A 70 -3.780 -3.025 4.247 1.00 0.00 C ATOM 1169 O TYR A 70 -3.852 -2.145 5.082 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.438 -2.804 2.374 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.288 -3.652 1.467 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.908 -4.964 1.175 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.457 -3.122 0.917 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.700 -5.750 0.330 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.250 -3.905 0.072 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.870 -5.219 -0.221 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.649 -5.991 -1.050 1.00 0.00 O ATOM 0 H TYR A 70 -6.222 -2.490 5.014 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.876 -4.652 3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.981 -1.903 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.539 -2.482 1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.003 -5.372 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.749 -2.107 1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.408 -6.765 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.154 -3.496 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.426 -5.472 -1.346 1.00 0.00 H new ATOM 1187 N SER A 71 -2.608 -3.489 3.872 1.00 0.00 N ATOM 1188 CA SER A 71 -1.381 -2.903 4.495 1.00 0.00 C ATOM 1189 C SER A 71 -0.219 -2.826 3.503 1.00 0.00 C ATOM 1190 O SER A 71 -0.370 -3.072 2.324 1.00 0.00 O ATOM 1191 CB SER A 71 -1.010 -3.807 5.670 1.00 0.00 C ATOM 1192 OG SER A 71 -1.783 -5.000 5.633 1.00 0.00 O ATOM 0 H SER A 71 -2.452 -4.225 3.183 1.00 0.00 H new ATOM 0 HA SER A 71 -1.580 -1.882 4.819 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.052 -4.051 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.181 -3.283 6.610 1.00 0.00 H new ATOM 0 HG SER A 71 -1.448 -5.585 4.922 1.00 0.00 H new ATOM 1198 N VAL A 72 0.942 -2.460 3.986 1.00 0.00 N ATOM 1199 CA VAL A 72 2.133 -2.332 3.083 1.00 0.00 C ATOM 1200 C VAL A 72 3.436 -2.668 3.814 1.00 0.00 C ATOM 1201 O VAL A 72 3.916 -1.912 4.626 1.00 0.00 O ATOM 1202 CB VAL A 72 2.139 -0.860 2.653 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.130 0.031 3.892 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.399 -0.549 1.833 1.00 0.00 C ATOM 0 H VAL A 72 1.119 -2.244 4.967 1.00 0.00 H new ATOM 0 HA VAL A 72 2.069 -3.022 2.242 1.00 0.00 H new ATOM 0 HB VAL A 72 1.255 -0.671 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.134 1.078 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.235 -0.172 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.014 -0.175 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.389 0.499 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.284 -0.746 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.419 -1.179 0.944 1.00 0.00 H new ATOM 1214 N VAL A 73 4.029 -3.783 3.506 1.00 0.00 N ATOM 1215 CA VAL A 73 5.312 -4.141 4.165 1.00 0.00 C ATOM 1216 C VAL A 73 6.487 -3.588 3.358 1.00 0.00 C ATOM 1217 O VAL A 73 6.906 -4.149 2.366 1.00 0.00 O ATOM 1218 CB VAL A 73 5.355 -5.674 4.234 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.167 -6.177 5.053 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.305 -6.292 2.834 1.00 0.00 C ATOM 0 H VAL A 73 3.682 -4.461 2.828 1.00 0.00 H new ATOM 0 HA VAL A 73 5.384 -3.713 5.165 1.00 0.00 H new ATOM 0 HB VAL A 73 6.291 -5.971 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.195 -7.265 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.219 -5.765 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.238 -5.860 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.337 -7.379 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.383 -5.992 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.160 -5.946 2.253 1.00 0.00 H new ATOM 1230 N VAL A 74 7.013 -2.477 3.786 1.00 0.00 N ATOM 1231 CA VAL A 74 8.161 -1.857 3.072 1.00 0.00 C ATOM 1232 C VAL A 74 9.479 -2.413 3.653 1.00 0.00 C ATOM 1233 O VAL A 74 9.648 -2.502 4.852 1.00 0.00 O ATOM 1234 CB VAL A 74 7.970 -0.342 3.327 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.275 0.343 3.765 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.466 0.316 2.043 1.00 0.00 C ATOM 0 H VAL A 74 6.693 -1.966 4.609 1.00 0.00 H new ATOM 0 HA VAL A 74 8.205 -2.068 2.004 1.00 0.00 H new ATOM 0 HB VAL A 74 7.248 -0.227 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.091 1.404 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.633 -0.113 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.028 0.224 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.328 1.384 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.195 0.165 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.515 -0.132 1.754 1.00 0.00 H new ATOM 1246 N GLU A 75 10.404 -2.786 2.813 1.00 0.00 N ATOM 1247 CA GLU A 75 11.701 -3.337 3.318 1.00 0.00 C ATOM 1248 C GLU A 75 12.859 -2.803 2.469 1.00 0.00 C ATOM 1249 O GLU A 75 12.648 -2.092 1.511 1.00 0.00 O ATOM 1250 CB GLU A 75 11.573 -4.856 3.167 1.00 0.00 C ATOM 1251 CG GLU A 75 11.198 -5.197 1.727 1.00 0.00 C ATOM 1252 CD GLU A 75 10.855 -6.683 1.622 1.00 0.00 C ATOM 1253 OE1 GLU A 75 11.687 -7.492 2.001 1.00 0.00 O ATOM 1254 OE2 GLU A 75 9.766 -6.987 1.164 1.00 0.00 O ATOM 0 H GLU A 75 10.322 -2.735 1.798 1.00 0.00 H new ATOM 0 HA GLU A 75 11.903 -3.050 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.514 -5.339 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.815 -5.237 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.347 -4.594 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.025 -4.957 1.059 1.00 0.00 H new ATOM 1261 N ASN A 76 14.081 -3.135 2.803 1.00 0.00 N ATOM 1262 CA ASN A 76 15.223 -2.626 1.983 1.00 0.00 C ATOM 1263 C ASN A 76 16.378 -3.626 1.948 1.00 0.00 C ATOM 1264 O ASN A 76 16.197 -4.820 2.082 1.00 0.00 O ATOM 1265 CB ASN A 76 15.652 -1.302 2.640 1.00 0.00 C ATOM 1266 CG ASN A 76 16.613 -1.524 3.815 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.253 -2.130 4.806 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.828 -1.056 3.740 1.00 0.00 N ATOM 0 H ASN A 76 14.335 -3.726 3.594 1.00 0.00 H new ATOM 0 HA ASN A 76 14.928 -2.479 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.132 -0.667 1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.768 -0.769 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.478 -1.198 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.128 -0.548 2.908 1.00 0.00 H new ATOM 1275 N SER A 77 17.568 -3.127 1.767 1.00 0.00 N ATOM 1276 CA SER A 77 18.759 -4.015 1.707 1.00 0.00 C ATOM 1277 C SER A 77 18.980 -4.752 3.031 1.00 0.00 C ATOM 1278 O SER A 77 19.824 -5.622 3.117 1.00 0.00 O ATOM 1279 CB SER A 77 19.935 -3.084 1.406 1.00 0.00 C ATOM 1280 OG SER A 77 20.480 -2.591 2.625 1.00 0.00 O ATOM 0 H SER A 77 17.767 -2.133 1.657 1.00 0.00 H new ATOM 0 HA SER A 77 18.639 -4.790 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.701 -3.619 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.604 -2.254 0.782 1.00 0.00 H new ATOM 0 HG SER A 77 20.403 -1.614 2.647 1.00 0.00 H new ATOM 1286 N GLU A 78 18.246 -4.429 4.066 1.00 0.00 N ATOM 1287 CA GLU A 78 18.465 -5.156 5.355 1.00 0.00 C ATOM 1288 C GLU A 78 17.372 -4.851 6.377 1.00 0.00 C ATOM 1289 O GLU A 78 17.591 -4.935 7.569 1.00 0.00 O ATOM 1290 CB GLU A 78 19.819 -4.673 5.871 1.00 0.00 C ATOM 1291 CG GLU A 78 19.847 -3.143 5.924 1.00 0.00 C ATOM 1292 CD GLU A 78 21.110 -2.626 5.226 1.00 0.00 C ATOM 1293 OE1 GLU A 78 22.017 -3.414 5.023 1.00 0.00 O ATOM 1294 OE2 GLU A 78 21.148 -1.448 4.909 1.00 0.00 O ATOM 0 H GLU A 78 17.521 -3.711 4.078 1.00 0.00 H new ATOM 0 HA GLU A 78 18.439 -6.234 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 78 20.006 -5.082 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.615 -5.037 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.959 -2.736 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.828 -2.805 6.960 1.00 0.00 H new ATOM 1301 N GLY A 79 16.199 -4.511 5.933 1.00 0.00 N ATOM 1302 CA GLY A 79 15.108 -4.221 6.905 1.00 0.00 C ATOM 1303 C GLY A 79 13.766 -4.664 6.327 1.00 0.00 C ATOM 1304 O GLY A 79 13.697 -5.219 5.249 1.00 0.00 O ATOM 0 H GLY A 79 15.947 -4.421 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.298 -4.740 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.083 -3.155 7.129 1.00 0.00 H new ATOM 1308 N LYS A 80 12.699 -4.427 7.039 1.00 0.00 N ATOM 1309 CA LYS A 80 11.359 -4.843 6.529 1.00 0.00 C ATOM 1310 C LYS A 80 10.241 -4.300 7.430 1.00 0.00 C ATOM 1311 O LYS A 80 9.508 -5.048 8.047 1.00 0.00 O ATOM 1312 CB LYS A 80 11.353 -6.386 6.530 1.00 0.00 C ATOM 1313 CG LYS A 80 12.141 -6.949 7.726 1.00 0.00 C ATOM 1314 CD LYS A 80 11.499 -6.489 9.037 1.00 0.00 C ATOM 1315 CE LYS A 80 12.194 -7.176 10.215 1.00 0.00 C ATOM 1316 NZ LYS A 80 13.321 -6.270 10.578 1.00 0.00 N ATOM 0 H LYS A 80 12.695 -3.965 7.948 1.00 0.00 H new ATOM 0 HA LYS A 80 11.181 -4.447 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.325 -6.747 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.787 -6.754 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.157 -8.038 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.177 -6.613 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.581 -5.406 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.436 -6.730 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.510 -7.311 11.053 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.557 -8.166 9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.846 -6.673 11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.959 -6.166 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.945 -5.338 10.845 1.00 0.00 H new ATOM 1330 N GLN A 81 10.091 -3.004 7.496 1.00 0.00 N ATOM 1331 CA GLN A 81 9.008 -2.423 8.344 1.00 0.00 C ATOM 1332 C GLN A 81 7.728 -2.314 7.514 1.00 0.00 C ATOM 1333 O GLN A 81 7.736 -2.571 6.331 1.00 0.00 O ATOM 1334 CB GLN A 81 9.516 -1.037 8.745 1.00 0.00 C ATOM 1335 CG GLN A 81 8.504 -0.378 9.685 1.00 0.00 C ATOM 1336 CD GLN A 81 9.106 0.893 10.282 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.299 0.973 10.500 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.322 1.898 10.559 1.00 0.00 N ATOM 0 H GLN A 81 10.669 -2.324 7.002 1.00 0.00 H new ATOM 0 HA GLN A 81 8.780 -3.030 9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.485 -1.121 9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.661 -0.420 7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.591 -0.138 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.229 -1.070 10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.321 1.830 10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.710 2.752 10.959 1.00 0.00 H new ATOM 1347 N GLU A 82 6.623 -1.965 8.117 1.00 0.00 N ATOM 1348 CA GLU A 82 5.356 -1.875 7.331 1.00 0.00 C ATOM 1349 C GLU A 82 4.405 -0.832 7.910 1.00 0.00 C ATOM 1350 O GLU A 82 4.630 -0.259 8.957 1.00 0.00 O ATOM 1351 CB GLU A 82 4.736 -3.269 7.447 1.00 0.00 C ATOM 1352 CG GLU A 82 4.425 -3.575 8.915 1.00 0.00 C ATOM 1353 CD GLU A 82 3.472 -4.768 8.994 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.426 -4.709 8.368 1.00 0.00 O ATOM 1355 OE2 GLU A 82 3.802 -5.721 9.682 1.00 0.00 O ATOM 0 H GLU A 82 6.541 -1.740 9.109 1.00 0.00 H new ATOM 0 HA GLU A 82 5.545 -1.573 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.824 -3.322 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.421 -4.017 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.346 -3.795 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.976 -2.704 9.392 1.00 0.00 H new ATOM 1362 N ALA A 83 3.329 -0.611 7.217 1.00 0.00 N ATOM 1363 CA ALA A 83 2.301 0.361 7.661 1.00 0.00 C ATOM 1364 C ALA A 83 0.954 -0.347 7.590 1.00 0.00 C ATOM 1365 O ALA A 83 0.807 -1.308 6.862 1.00 0.00 O ATOM 1366 CB ALA A 83 2.371 1.504 6.646 1.00 0.00 C ATOM 0 H ALA A 83 3.114 -1.078 6.336 1.00 0.00 H new ATOM 0 HA ALA A 83 2.447 0.736 8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.637 2.267 6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.369 1.941 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.156 1.119 5.649 1.00 0.00 H new ATOM 1372 N GLU A 84 -0.027 0.084 8.328 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.329 -0.631 8.256 1.00 0.00 C ATOM 1374 C GLU A 84 -2.505 0.344 8.176 1.00 0.00 C ATOM 1375 O GLU A 84 -2.565 1.337 8.873 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.402 -1.457 9.540 1.00 0.00 C ATOM 1377 CG GLU A 84 -1.600 -2.932 9.185 1.00 0.00 C ATOM 1378 CD GLU A 84 -2.340 -3.637 10.323 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -1.702 -3.944 11.317 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -3.530 -3.861 10.181 1.00 0.00 O ATOM 0 H GLU A 84 0.012 0.881 8.964 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.392 -1.250 7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.487 -1.331 10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.225 -1.108 10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.167 -3.021 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.635 -3.409 9.015 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.446 0.039 7.332 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.653 0.893 7.170 1.00 0.00 C ATOM 1389 C PHE A 85 -5.766 0.008 6.625 1.00 0.00 C ATOM 1390 O PHE A 85 -5.580 -1.178 6.470 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.265 1.967 6.150 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.752 1.310 4.890 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.640 0.659 4.025 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.387 1.354 4.586 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.161 0.051 2.858 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.911 0.746 3.418 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.799 0.095 2.556 1.00 0.00 C ATOM 0 H PHE A 85 -3.429 -0.786 6.733 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.992 1.353 8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.127 2.593 5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.500 2.620 6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.694 0.626 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.701 1.857 5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.846 -0.452 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.857 0.780 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.431 -0.374 1.656 1.00 0.00 H new ATOM 1407 N THR A 86 -6.913 0.547 6.330 1.00 0.00 N ATOM 1408 CA THR A 86 -7.994 -0.317 5.792 1.00 0.00 C ATOM 1409 C THR A 86 -8.862 0.434 4.777 1.00 0.00 C ATOM 1410 O THR A 86 -9.510 1.412 5.089 1.00 0.00 O ATOM 1411 CB THR A 86 -8.821 -0.744 7.006 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.484 0.389 7.550 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.908 -1.362 8.066 1.00 0.00 C ATOM 0 H THR A 86 -7.147 1.534 6.436 1.00 0.00 H new ATOM 0 HA THR A 86 -7.584 -1.174 5.258 1.00 0.00 H new ATOM 0 HB THR A 86 -9.559 -1.484 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.591 1.071 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.503 -1.664 8.928 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.405 -2.234 7.649 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.164 -0.629 8.378 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.898 -0.059 3.565 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.740 0.554 2.503 1.00 0.00 C ATOM 1423 C LEU A 87 -10.915 -0.377 2.246 1.00 0.00 C ATOM 1424 O LEU A 87 -10.772 -1.424 1.649 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.827 0.621 1.282 1.00 0.00 C ATOM 1426 CG LEU A 87 -7.911 1.866 1.285 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -8.031 2.715 2.564 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.464 1.395 1.145 1.00 0.00 C ATOM 0 H LEU A 87 -8.367 -0.877 3.265 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.133 1.538 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.211 -0.277 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.437 0.627 0.378 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.222 2.500 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.360 3.571 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.057 3.066 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.761 2.110 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.799 2.258 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.211 0.742 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.348 0.848 0.209 1.00 0.00 H new ATOM 1440 N THR A 88 -12.063 -0.012 2.727 1.00 0.00 N ATOM 1441 CA THR A 88 -13.262 -0.902 2.567 1.00 0.00 C ATOM 1442 C THR A 88 -14.028 -0.629 1.286 1.00 0.00 C ATOM 1443 O THR A 88 -13.789 0.328 0.576 1.00 0.00 O ATOM 1444 CB THR A 88 -14.151 -0.656 3.794 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.473 0.155 4.748 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.497 -2.003 4.432 1.00 0.00 C ATOM 0 H THR A 88 -12.234 0.861 3.225 1.00 0.00 H new ATOM 0 HA THR A 88 -12.944 -1.942 2.498 1.00 0.00 H new ATOM 0 HB THR A 88 -15.058 -0.141 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.054 0.304 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.129 -1.840 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.029 -2.622 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.580 -2.508 4.736 1.00 0.00 H new ATOM 1454 N ILE A 89 -14.934 -1.514 0.985 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.725 -1.393 -0.266 1.00 0.00 C ATOM 1456 C ILE A 89 -17.152 -1.944 -0.089 1.00 0.00 C ATOM 1457 O ILE A 89 -17.475 -3.035 -0.510 1.00 0.00 O ATOM 1458 CB ILE A 89 -14.921 -2.190 -1.313 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -14.257 -3.446 -0.703 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.807 -1.289 -1.837 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -15.290 -4.328 0.001 1.00 0.00 C ATOM 0 H ILE A 89 -15.162 -2.325 1.560 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.863 -0.355 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.607 -2.507 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -13.762 -4.017 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.487 -3.145 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.222 -1.829 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.242 -0.400 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.160 -0.993 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.795 -5.204 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -15.766 -3.762 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -16.046 -4.647 -0.717 1.00 0.00 H new