USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 638 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 59 LYS NZ :NH3+ 156:sc=-0.00874 (180deg=-0.348) USER MOD Set 1.2: A 107 SER OG : rot -129:sc= 0.487 USER MOD Set 2.1: A 87 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Set 2.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc=-0.00405 K(o=-0.0041,f=-2.5!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -115:sc= 0.127 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 150:sc= -3.85! USER MOD Single : A 137 SER OG : rot -54:sc= 0.508 USER MOD Single : A 138 LYS NZ :NH3+ -149:sc= -0.172 (180deg=-0.776) USER MOD Single : A 139 THR OG1 : rot 97:sc= 0.837 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -5.268 -6.657 -8.461 1.00 0.00 N ATOM 92 CA ASN A 51 -5.118 -8.111 -8.535 1.00 0.00 C ATOM 93 C ASN A 51 -3.889 -8.588 -7.754 1.00 0.00 C ATOM 94 O ASN A 51 -3.194 -7.787 -7.125 1.00 0.00 O ATOM 95 CB ASN A 51 -5.018 -8.552 -9.999 1.00 0.00 C ATOM 96 CG ASN A 51 -6.382 -8.765 -10.633 1.00 0.00 C ATOM 97 OD1 ASN A 51 -7.159 -9.610 -10.188 1.00 0.00 O ATOM 98 ND2 ASN A 51 -6.683 -7.997 -11.676 1.00 0.00 N ATOM 0 HA ASN A 51 -5.998 -8.565 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.470 -7.799 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.444 -9.477 -10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.587 -8.096 -12.139 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.010 -7.309 -12.013 1.00 0.00 H new ATOM 105 N PHE A 52 -3.631 -9.900 -7.794 1.00 0.00 N ATOM 106 CA PHE A 52 -2.489 -10.488 -7.085 1.00 0.00 C ATOM 107 C PHE A 52 -1.170 -9.926 -7.610 1.00 0.00 C ATOM 108 O PHE A 52 -0.965 -9.835 -8.822 1.00 0.00 O ATOM 109 CB PHE A 52 -2.486 -12.017 -7.219 1.00 0.00 C ATOM 110 CG PHE A 52 -3.825 -12.661 -6.963 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.594 -12.288 -5.871 1.00 0.00 C ATOM 112 CD2 PHE A 52 -4.311 -13.637 -7.817 1.00 0.00 C ATOM 113 CE1 PHE A 52 -5.822 -12.878 -5.637 1.00 0.00 C ATOM 114 CE2 PHE A 52 -5.537 -14.230 -7.588 1.00 0.00 C ATOM 115 CZ PHE A 52 -6.295 -13.850 -6.496 1.00 0.00 C ATOM 0 H PHE A 52 -4.197 -10.574 -8.309 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.590 -10.226 -6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.154 -12.282 -8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.757 -12.430 -6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.229 -11.528 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.724 -13.938 -8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.411 -12.579 -4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.904 -14.990 -8.262 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.254 -14.312 -6.315 1.00 0.00 H new ATOM 125 N GLY A 53 -0.280 -9.550 -6.690 1.00 0.00 N ATOM 126 CA GLY A 53 1.005 -8.996 -7.077 1.00 0.00 C ATOM 127 C GLY A 53 0.868 -7.621 -7.702 1.00 0.00 C ATOM 128 O GLY A 53 1.416 -7.365 -8.776 1.00 0.00 O ATOM 0 H GLY A 53 -0.429 -9.620 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.651 -8.933 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.491 -9.668 -7.784 1.00 0.00 H new ATOM 132 N ASP A 54 0.132 -6.735 -7.027 1.00 0.00 N ATOM 133 CA ASP A 54 -0.086 -5.381 -7.516 1.00 0.00 C ATOM 134 C ASP A 54 0.175 -4.354 -6.416 1.00 0.00 C ATOM 135 O ASP A 54 -0.220 -4.547 -5.265 1.00 0.00 O ATOM 136 CB ASP A 54 -1.517 -5.234 -8.040 1.00 0.00 C ATOM 137 CG ASP A 54 -1.610 -4.325 -9.253 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.949 -3.263 -9.255 1.00 0.00 O ATOM 139 OD2 ASP A 54 -2.347 -4.674 -10.198 1.00 0.00 O ATOM 0 H ASP A 54 -0.323 -6.937 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 54 0.615 -5.197 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.907 -6.218 -8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.151 -4.839 -7.246 1.00 0.00 H new ATOM 144 N ARG A 55 0.838 -3.263 -6.785 1.00 0.00 N ATOM 145 CA ARG A 55 1.154 -2.190 -5.843 1.00 0.00 C ATOM 146 C ARG A 55 -0.068 -1.306 -5.616 1.00 0.00 C ATOM 147 O ARG A 55 -0.537 -0.638 -6.539 1.00 0.00 O ATOM 148 CB ARG A 55 2.319 -1.340 -6.369 1.00 0.00 C ATOM 149 CG ARG A 55 3.686 -1.990 -6.205 1.00 0.00 C ATOM 150 CD ARG A 55 3.912 -3.105 -7.218 1.00 0.00 C ATOM 151 NE ARG A 55 5.002 -2.797 -8.144 1.00 0.00 N ATOM 152 CZ ARG A 55 4.838 -2.173 -9.314 1.00 0.00 C ATOM 153 NH1 ARG A 55 3.631 -1.771 -9.704 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.888 -1.946 -10.096 1.00 0.00 N ATOM 0 H ARG A 55 1.170 -3.096 -7.735 1.00 0.00 H new ATOM 0 HA ARG A 55 1.446 -2.642 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.153 -1.129 -7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.319 -0.382 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.463 -1.234 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.778 -2.392 -5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.136 -4.032 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.995 -3.273 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 55 5.947 -3.076 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.820 -1.938 -9.108 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.516 -1.295 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.817 -2.248 -9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.765 -1.470 -10.990 1.00 0.00 H new ATOM 168 N ILE A 56 -0.588 -1.309 -4.390 1.00 0.00 N ATOM 169 CA ILE A 56 -1.766 -0.507 -4.057 1.00 0.00 C ATOM 170 C ILE A 56 -1.617 0.182 -2.701 1.00 0.00 C ATOM 171 O ILE A 56 -0.903 -0.300 -1.821 1.00 0.00 O ATOM 172 CB ILE A 56 -3.049 -1.367 -4.057 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.918 -2.531 -3.070 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.341 -1.885 -5.461 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.226 -3.241 -2.796 1.00 0.00 C ATOM 0 H ILE A 56 -0.215 -1.855 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.850 0.258 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.883 -0.742 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.199 -3.250 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.514 -2.156 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.248 -2.489 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.479 -1.042 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.505 -2.494 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.058 -4.053 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.942 -2.535 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.622 -3.646 -3.727 1.00 0.00 H new ATOM 187 N LEU A 57 -2.304 1.316 -2.538 1.00 0.00 N ATOM 188 CA LEU A 57 -2.255 2.074 -1.289 1.00 0.00 C ATOM 189 C LEU A 57 -3.399 1.663 -0.366 1.00 0.00 C ATOM 190 O LEU A 57 -4.481 1.307 -0.832 1.00 0.00 O ATOM 191 CB LEU A 57 -2.318 3.576 -1.575 1.00 0.00 C ATOM 192 CG LEU A 57 -1.660 4.465 -0.514 1.00 0.00 C ATOM 193 CD1 LEU A 57 -0.159 4.225 -0.470 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.960 5.932 -0.788 1.00 0.00 C ATOM 0 H LEU A 57 -2.900 1.728 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.312 1.852 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.840 3.768 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.363 3.868 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.076 4.204 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.290 4.865 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.035 3.181 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.275 4.457 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.485 6.549 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.572 6.206 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.038 6.093 -0.766 1.00 0.00 H new ATOM 206 N VAL A 58 -3.150 1.692 0.943 1.00 0.00 N ATOM 207 CA VAL A 58 -4.160 1.296 1.925 1.00 0.00 C ATOM 208 C VAL A 58 -4.247 2.282 3.088 1.00 0.00 C ATOM 209 O VAL A 58 -3.230 2.719 3.625 1.00 0.00 O ATOM 210 CB VAL A 58 -3.855 -0.107 2.489 1.00 0.00 C ATOM 211 CG1 VAL A 58 -5.045 -0.647 3.269 1.00 0.00 C ATOM 212 CG2 VAL A 58 -3.465 -1.067 1.374 1.00 0.00 C ATOM 0 H VAL A 58 -2.261 1.985 1.347 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.116 1.288 1.401 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.011 -0.018 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.807 -1.637 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.271 0.023 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.911 -0.714 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.255 -2.049 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.284 -1.147 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.576 -0.693 0.866 1.00 0.00 H new ATOM 222 N LYS A 59 -5.477 2.612 3.486 1.00 0.00 N ATOM 223 CA LYS A 59 -5.708 3.524 4.602 1.00 0.00 C ATOM 224 C LYS A 59 -6.105 2.743 5.853 1.00 0.00 C ATOM 225 O LYS A 59 -7.215 2.211 5.938 1.00 0.00 O ATOM 226 CB LYS A 59 -6.800 4.540 4.247 1.00 0.00 C ATOM 227 CG LYS A 59 -6.582 5.911 4.865 1.00 0.00 C ATOM 228 CD LYS A 59 -7.328 6.062 6.183 1.00 0.00 C ATOM 229 CE LYS A 59 -8.802 6.377 5.960 1.00 0.00 C ATOM 230 NZ LYS A 59 -9.675 5.198 6.230 1.00 0.00 N ATOM 0 H LYS A 59 -6.329 2.259 3.049 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.782 4.063 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.849 4.643 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.765 4.153 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.516 6.070 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.915 6.681 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.235 5.143 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.870 6.857 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.098 7.202 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.950 6.709 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.634 5.523 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.713 4.593 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.287 4.654 7.027 1.00 0.00 H new ATOM 244 N ALA A 60 -5.191 2.672 6.819 1.00 0.00 N ATOM 245 CA ALA A 60 -5.446 1.951 8.066 1.00 0.00 C ATOM 246 C ALA A 60 -6.424 2.716 8.958 1.00 0.00 C ATOM 247 O ALA A 60 -6.440 3.946 8.954 1.00 0.00 O ATOM 248 CB ALA A 60 -4.138 1.704 8.809 1.00 0.00 C ATOM 0 H ALA A 60 -4.269 3.104 6.763 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.899 0.992 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.342 1.167 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.471 1.110 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.665 2.658 9.040 1.00 0.00 H new ATOM 254 N PRO A 61 -7.257 1.997 9.741 1.00 0.00 N ATOM 255 CA PRO A 61 -8.233 2.623 10.642 1.00 0.00 C ATOM 256 C PRO A 61 -7.574 3.618 11.594 1.00 0.00 C ATOM 257 O PRO A 61 -6.954 3.226 12.587 1.00 0.00 O ATOM 258 CB PRO A 61 -8.821 1.440 11.417 1.00 0.00 C ATOM 259 CG PRO A 61 -8.604 0.261 10.533 1.00 0.00 C ATOM 260 CD PRO A 61 -7.308 0.524 9.816 1.00 0.00 C ATOM 0 HA PRO A 61 -8.983 3.199 10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.324 1.311 12.378 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.881 1.590 11.624 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.550 -0.660 11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.426 0.145 9.827 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.456 0.119 10.362 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.297 0.070 8.825 1.00 0.00 H new ATOM 268 N GLY A 62 -7.692 4.906 11.272 1.00 0.00 N ATOM 269 CA GLY A 62 -7.089 5.940 12.096 1.00 0.00 C ATOM 270 C GLY A 62 -5.740 6.403 11.563 1.00 0.00 C ATOM 271 O GLY A 62 -5.364 7.563 11.737 1.00 0.00 O ATOM 0 H GLY A 62 -8.195 5.251 10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.765 6.793 12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.964 5.563 13.111 1.00 0.00 H new ATOM 275 N TYR A 63 -5.013 5.492 10.916 1.00 0.00 N ATOM 276 CA TYR A 63 -3.698 5.804 10.358 1.00 0.00 C ATOM 277 C TYR A 63 -3.805 6.214 8.886 1.00 0.00 C ATOM 278 O TYR A 63 -4.642 5.692 8.147 1.00 0.00 O ATOM 279 CB TYR A 63 -2.776 4.587 10.501 1.00 0.00 C ATOM 280 CG TYR A 63 -1.354 4.931 10.884 1.00 0.00 C ATOM 281 CD1 TYR A 63 -1.075 5.658 12.037 1.00 0.00 C ATOM 282 CD2 TYR A 63 -0.289 4.523 10.093 1.00 0.00 C ATOM 283 CE1 TYR A 63 0.225 5.967 12.388 1.00 0.00 C ATOM 284 CE2 TYR A 63 1.013 4.829 10.435 1.00 0.00 C ATOM 285 CZ TYR A 63 1.266 5.550 11.583 1.00 0.00 C ATOM 286 OH TYR A 63 2.564 5.855 11.930 1.00 0.00 O ATOM 0 H TYR A 63 -5.314 4.529 10.765 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.279 6.645 10.911 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.191 3.916 11.253 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.765 4.040 9.558 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.888 5.986 12.668 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.482 3.956 9.194 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.426 6.531 13.287 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.829 4.505 9.807 1.00 0.00 H new ATOM 0 HH TYR A 63 3.177 5.488 11.259 1.00 0.00 H new ATOM 296 N PRO A 64 -2.955 7.161 8.436 1.00 0.00 N ATOM 297 CA PRO A 64 -2.961 7.638 7.044 1.00 0.00 C ATOM 298 C PRO A 64 -2.674 6.523 6.035 1.00 0.00 C ATOM 299 O PRO A 64 -2.366 5.391 6.415 1.00 0.00 O ATOM 300 CB PRO A 64 -1.850 8.698 7.013 1.00 0.00 C ATOM 301 CG PRO A 64 -1.006 8.418 8.209 1.00 0.00 C ATOM 302 CD PRO A 64 -1.929 7.843 9.245 1.00 0.00 C ATOM 0 HA PRO A 64 -3.939 8.025 6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.266 8.629 6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.266 9.705 7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.207 7.717 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.531 9.329 8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.410 7.149 9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.363 8.620 9.875 1.00 0.00 H new ATOM 310 N TRP A 65 -2.785 6.850 4.745 1.00 0.00 N ATOM 311 CA TRP A 65 -2.546 5.877 3.676 1.00 0.00 C ATOM 312 C TRP A 65 -1.100 5.379 3.695 1.00 0.00 C ATOM 313 O TRP A 65 -0.162 6.170 3.800 1.00 0.00 O ATOM 314 CB TRP A 65 -2.864 6.488 2.305 1.00 0.00 C ATOM 315 CG TRP A 65 -4.266 7.013 2.182 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.721 8.234 2.588 1.00 0.00 C ATOM 317 CD2 TRP A 65 -5.391 6.337 1.606 1.00 0.00 C ATOM 318 NE1 TRP A 65 -6.059 8.356 2.309 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.495 7.206 1.704 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.575 5.081 1.019 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.761 6.860 1.237 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.832 4.740 0.555 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.911 5.627 0.666 1.00 0.00 C ATOM 0 H TRP A 65 -3.039 7.781 4.415 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.208 5.029 3.850 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -2.164 7.300 2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.700 5.734 1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.116 8.994 3.060 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.636 9.171 2.518 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.750 4.390 0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.594 7.542 1.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.985 3.773 0.099 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.880 5.331 0.293 1.00 0.00 H new ATOM 334 N TRP A 66 -0.930 4.060 3.592 1.00 0.00 N ATOM 335 CA TRP A 66 0.397 3.446 3.597 1.00 0.00 C ATOM 336 C TRP A 66 0.595 2.545 2.375 1.00 0.00 C ATOM 337 O TRP A 66 -0.344 1.876 1.933 1.00 0.00 O ATOM 338 CB TRP A 66 0.594 2.633 4.880 1.00 0.00 C ATOM 339 CG TRP A 66 1.993 2.694 5.410 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.845 1.645 5.593 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.703 3.867 5.818 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.045 2.094 6.087 1.00 0.00 N ATOM 343 CE2 TRP A 66 3.981 3.454 6.234 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.383 5.227 5.869 1.00 0.00 C ATOM 345 CZ2 TRP A 66 4.938 4.353 6.695 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.337 6.117 6.325 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.602 5.675 6.732 1.00 0.00 C ATOM 0 H TRP A 66 -1.698 3.395 3.504 1.00 0.00 H new ATOM 0 HA TRP A 66 1.138 4.244 3.556 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.093 2.999 5.643 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.331 1.593 4.687 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.610 0.612 5.381 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.852 1.510 6.308 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.409 5.575 5.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.914 4.016 7.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.103 7.170 6.368 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.326 6.395 7.082 1.00 0.00 H new ATOM 358 N PRO A 67 1.821 2.516 1.809 1.00 0.00 N ATOM 359 CA PRO A 67 2.138 1.693 0.631 1.00 0.00 C ATOM 360 C PRO A 67 2.088 0.194 0.928 1.00 0.00 C ATOM 361 O PRO A 67 2.833 -0.306 1.775 1.00 0.00 O ATOM 362 CB PRO A 67 3.563 2.120 0.267 1.00 0.00 C ATOM 363 CG PRO A 67 4.136 2.633 1.541 1.00 0.00 C ATOM 364 CD PRO A 67 2.995 3.285 2.268 1.00 0.00 C ATOM 0 HA PRO A 67 1.415 1.844 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.142 1.281 -0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.562 2.889 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.564 1.823 2.131 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.937 3.347 1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.119 3.224 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.908 4.342 2.016 1.00 0.00 H new ATOM 372 N ALA A 68 1.208 -0.515 0.223 1.00 0.00 N ATOM 373 CA ALA A 68 1.055 -1.957 0.397 1.00 0.00 C ATOM 374 C ALA A 68 1.032 -2.671 -0.953 1.00 0.00 C ATOM 375 O ALA A 68 1.091 -2.036 -2.007 1.00 0.00 O ATOM 376 CB ALA A 68 -0.214 -2.261 1.184 1.00 0.00 C ATOM 0 H ALA A 68 0.587 -0.111 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 68 1.913 -2.327 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.316 -3.339 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.156 -1.788 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.078 -1.874 0.645 1.00 0.00 H new ATOM 382 N LEU A 69 0.950 -3.993 -0.912 1.00 0.00 N ATOM 383 CA LEU A 69 0.917 -4.794 -2.133 1.00 0.00 C ATOM 384 C LEU A 69 -0.136 -5.894 -2.042 1.00 0.00 C ATOM 385 O LEU A 69 -0.081 -6.743 -1.152 1.00 0.00 O ATOM 386 CB LEU A 69 2.294 -5.400 -2.405 1.00 0.00 C ATOM 387 CG LEU A 69 2.996 -4.868 -3.658 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.486 -4.700 -3.409 1.00 0.00 C ATOM 389 CD2 LEU A 69 2.748 -5.792 -4.844 1.00 0.00 C ATOM 0 H LEU A 69 0.905 -4.535 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 69 0.648 -4.138 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.933 -5.215 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.188 -6.481 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 69 2.579 -3.889 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.965 -4.321 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.641 -3.995 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.922 -5.663 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.255 -5.397 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.134 -6.786 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.677 -5.855 -5.039 1.00 0.00 H new ATOM 401 N LEU A 70 -1.098 -5.867 -2.968 1.00 0.00 N ATOM 402 CA LEU A 70 -2.177 -6.856 -2.997 1.00 0.00 C ATOM 403 C LEU A 70 -1.633 -8.278 -3.115 1.00 0.00 C ATOM 404 O LEU A 70 -0.891 -8.596 -4.045 1.00 0.00 O ATOM 405 CB LEU A 70 -3.133 -6.570 -4.159 1.00 0.00 C ATOM 406 CG LEU A 70 -4.607 -6.878 -3.877 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.501 -6.166 -4.881 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.856 -8.379 -3.906 1.00 0.00 C ATOM 0 H LEU A 70 -1.151 -5.168 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.719 -6.776 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.043 -5.519 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.815 -7.153 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.851 -6.511 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.545 -6.396 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.344 -5.090 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.256 -6.502 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.909 -8.577 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.595 -8.772 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.243 -8.864 -3.147 1.00 0.00 H new ATOM 420 N LEU A 71 -2.017 -9.130 -2.162 1.00 0.00 N ATOM 421 CA LEU A 71 -1.582 -10.524 -2.147 1.00 0.00 C ATOM 422 C LEU A 71 -2.728 -11.456 -2.548 1.00 0.00 C ATOM 423 O LEU A 71 -2.580 -12.271 -3.458 1.00 0.00 O ATOM 424 CB LEU A 71 -1.059 -10.907 -0.759 1.00 0.00 C ATOM 425 CG LEU A 71 0.447 -10.716 -0.553 1.00 0.00 C ATOM 426 CD1 LEU A 71 0.751 -10.428 0.909 1.00 0.00 C ATOM 427 CD2 LEU A 71 1.214 -11.944 -1.026 1.00 0.00 C ATOM 0 H LEU A 71 -2.631 -8.875 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.775 -10.633 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.589 -10.315 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.305 -11.952 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 71 0.769 -9.861 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.825 -10.295 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.233 -9.519 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.413 -11.263 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.282 -11.788 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.889 -12.817 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.021 -12.107 -2.086 1.00 0.00 H new ATOM 439 N ARG A 72 -3.869 -11.333 -1.860 1.00 0.00 N ATOM 440 CA ARG A 72 -5.035 -12.170 -2.148 1.00 0.00 C ATOM 441 C ARG A 72 -6.327 -11.518 -1.656 1.00 0.00 C ATOM 442 O ARG A 72 -6.318 -10.740 -0.703 1.00 0.00 O ATOM 443 CB ARG A 72 -4.871 -13.550 -1.504 1.00 0.00 C ATOM 444 CG ARG A 72 -4.752 -14.683 -2.512 1.00 0.00 C ATOM 445 CD ARG A 72 -6.037 -15.494 -2.595 1.00 0.00 C ATOM 446 NE ARG A 72 -5.997 -16.679 -1.736 1.00 0.00 N ATOM 447 CZ ARG A 72 -7.083 -17.354 -1.343 1.00 0.00 C ATOM 448 NH1 ARG A 72 -8.296 -16.964 -1.725 1.00 0.00 N ATOM 449 NH2 ARG A 72 -6.954 -18.421 -0.565 1.00 0.00 N ATOM 0 H ARG A 72 -4.008 -10.664 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.102 -12.282 -3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.983 -13.543 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.724 -13.742 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.515 -14.274 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.926 -15.336 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.880 -14.866 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.206 -15.801 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.086 -17.010 -1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.404 -16.144 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.119 -17.485 -1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.027 -18.726 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.781 -18.936 -0.265 1.00 0.00 H new ATOM 463 N ARG A 73 -7.440 -11.854 -2.309 1.00 0.00 N ATOM 464 CA ARG A 73 -8.745 -11.313 -1.935 1.00 0.00 C ATOM 465 C ARG A 73 -9.616 -12.402 -1.313 1.00 0.00 C ATOM 466 O ARG A 73 -9.968 -13.384 -1.971 1.00 0.00 O ATOM 467 CB ARG A 73 -9.452 -10.696 -3.148 1.00 0.00 C ATOM 468 CG ARG A 73 -9.498 -11.600 -4.373 1.00 0.00 C ATOM 469 CD ARG A 73 -10.793 -11.418 -5.151 1.00 0.00 C ATOM 470 NE ARG A 73 -11.003 -12.487 -6.124 1.00 0.00 N ATOM 471 CZ ARG A 73 -11.456 -13.704 -5.812 1.00 0.00 C ATOM 472 NH1 ARG A 73 -11.740 -14.016 -4.548 1.00 0.00 N ATOM 473 NH2 ARG A 73 -11.623 -14.613 -6.765 1.00 0.00 N ATOM 0 H ARG A 73 -7.463 -12.498 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.585 -10.527 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.472 -10.434 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.947 -9.768 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.649 -11.381 -5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.402 -12.640 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.632 -11.391 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.774 -10.458 -5.666 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.791 -12.292 -7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.612 -13.323 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.086 -14.948 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.405 -14.382 -7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.969 -15.543 -6.528 1.00 0.00 H new ATOM 487 N LYS A 74 -9.952 -12.223 -0.037 1.00 0.00 N ATOM 488 CA LYS A 74 -10.774 -13.189 0.687 1.00 0.00 C ATOM 489 C LYS A 74 -12.172 -12.635 0.955 1.00 0.00 C ATOM 490 O LYS A 74 -12.323 -11.513 1.445 1.00 0.00 O ATOM 491 CB LYS A 74 -10.105 -13.579 2.008 1.00 0.00 C ATOM 492 CG LYS A 74 -9.366 -12.437 2.690 1.00 0.00 C ATOM 493 CD LYS A 74 -9.312 -12.630 4.198 1.00 0.00 C ATOM 494 CE LYS A 74 -8.881 -11.357 4.910 1.00 0.00 C ATOM 495 NZ LYS A 74 -9.266 -11.363 6.350 1.00 0.00 N ATOM 0 H LYS A 74 -9.667 -11.416 0.517 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.871 -14.076 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.865 -13.964 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.403 -14.392 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.353 -12.370 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.861 -11.493 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.293 -12.937 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.617 -13.435 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.800 -11.242 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.333 -10.496 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.953 -10.477 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.299 -11.446 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.814 -12.169 6.827 1.00 0.00 H new ATOM 509 N GLU A 75 -13.190 -13.432 0.631 1.00 0.00 N ATOM 510 CA GLU A 75 -14.579 -13.032 0.835 1.00 0.00 C ATOM 511 C GLU A 75 -15.173 -13.743 2.047 1.00 0.00 C ATOM 512 O GLU A 75 -15.432 -14.949 2.003 1.00 0.00 O ATOM 513 CB GLU A 75 -15.411 -13.344 -0.411 1.00 0.00 C ATOM 514 CG GLU A 75 -16.162 -12.142 -0.955 1.00 0.00 C ATOM 515 CD GLU A 75 -17.292 -12.530 -1.889 1.00 0.00 C ATOM 516 OE1 GLU A 75 -17.018 -13.189 -2.915 1.00 0.00 O ATOM 517 OE2 GLU A 75 -18.452 -12.175 -1.596 1.00 0.00 O ATOM 0 H GLU A 75 -13.076 -14.361 0.225 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.600 -11.957 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.754 -13.734 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -16.126 -14.132 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.566 -11.565 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.465 -11.493 -1.485 1.00 0.00 H new ATOM 524 N THR A 76 -15.387 -12.996 3.127 1.00 0.00 N ATOM 525 CA THR A 76 -15.949 -13.567 4.345 1.00 0.00 C ATOM 526 C THR A 76 -17.259 -12.880 4.716 1.00 0.00 C ATOM 527 O THR A 76 -17.329 -11.654 4.783 1.00 0.00 O ATOM 528 CB THR A 76 -14.940 -13.471 5.498 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.426 -14.132 6.655 1.00 0.00 O ATOM 530 CG2 THR A 76 -14.593 -12.048 5.890 1.00 0.00 C ATOM 0 H THR A 76 -15.180 -11.999 3.183 1.00 0.00 H new ATOM 0 HA THR A 76 -16.163 -14.620 4.160 1.00 0.00 H new ATOM 0 HB THR A 76 -14.037 -13.951 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.765 -14.059 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.875 -12.061 6.710 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.157 -11.531 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.497 -11.527 6.207 1.00 0.00 H new ATOM 666 N PHE A 86 -22.035 -9.641 3.376 1.00 0.00 N ATOM 667 CA PHE A 86 -20.701 -10.028 2.931 1.00 0.00 C ATOM 668 C PHE A 86 -19.655 -9.017 3.390 1.00 0.00 C ATOM 669 O PHE A 86 -19.918 -7.815 3.439 1.00 0.00 O ATOM 670 CB PHE A 86 -20.659 -10.141 1.406 1.00 0.00 C ATOM 671 CG PHE A 86 -21.051 -11.496 0.886 1.00 0.00 C ATOM 672 CD1 PHE A 86 -20.181 -12.571 0.988 1.00 0.00 C ATOM 673 CD2 PHE A 86 -22.285 -11.693 0.288 1.00 0.00 C ATOM 674 CE1 PHE A 86 -20.537 -13.815 0.505 1.00 0.00 C ATOM 675 CE2 PHE A 86 -22.646 -12.934 -0.198 1.00 0.00 C ATOM 676 CZ PHE A 86 -21.770 -13.996 -0.089 1.00 0.00 C ATOM 0 HA PHE A 86 -20.472 -10.997 3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.324 -9.391 0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.652 -9.908 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -19.215 -12.434 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -22.973 -10.865 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.852 -14.645 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -23.611 -13.074 -0.662 1.00 0.00 H new ATOM 0 HZ PHE A 86 -22.049 -14.968 -0.468 1.00 0.00 H new ATOM 686 N ASN A 87 -18.463 -9.516 3.706 1.00 0.00 N ATOM 687 CA ASN A 87 -17.361 -8.666 4.141 1.00 0.00 C ATOM 688 C ASN A 87 -16.082 -9.058 3.409 1.00 0.00 C ATOM 689 O ASN A 87 -15.246 -9.795 3.938 1.00 0.00 O ATOM 690 CB ASN A 87 -17.160 -8.780 5.658 1.00 0.00 C ATOM 691 CG ASN A 87 -17.846 -7.664 6.424 1.00 0.00 C ATOM 692 OD1 ASN A 87 -17.599 -6.484 6.177 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.715 -8.032 7.361 1.00 0.00 N ATOM 0 H ASN A 87 -18.236 -10.510 3.668 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.603 -7.630 3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.545 -9.741 6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.093 -8.766 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.206 -7.324 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.890 -9.022 7.533 1.00 0.00 H new ATOM 700 N VAL A 88 -15.937 -8.555 2.187 1.00 0.00 N ATOM 701 CA VAL A 88 -14.765 -8.847 1.370 1.00 0.00 C ATOM 702 C VAL A 88 -13.693 -7.778 1.554 1.00 0.00 C ATOM 703 O VAL A 88 -13.990 -6.582 1.586 1.00 0.00 O ATOM 704 CB VAL A 88 -15.126 -8.972 -0.128 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.847 -7.727 -0.628 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.883 -9.252 -0.963 1.00 0.00 C ATOM 0 H VAL A 88 -16.619 -7.942 1.740 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.374 -9.807 1.707 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.807 -9.816 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.087 -7.845 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.767 -7.586 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.204 -6.857 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.162 -9.336 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.171 -8.436 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.426 -10.185 -0.633 1.00 0.00 H new ATOM 716 N LEU A 89 -12.447 -8.224 1.676 1.00 0.00 N ATOM 717 CA LEU A 89 -11.316 -7.318 1.862 1.00 0.00 C ATOM 718 C LEU A 89 -10.162 -7.679 0.928 1.00 0.00 C ATOM 719 O LEU A 89 -10.229 -8.665 0.190 1.00 0.00 O ATOM 720 CB LEU A 89 -10.828 -7.354 3.313 1.00 0.00 C ATOM 721 CG LEU A 89 -11.923 -7.429 4.382 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.321 -7.795 5.731 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.674 -6.107 4.468 1.00 0.00 C ATOM 0 H LEU A 89 -12.193 -9.211 1.649 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.659 -6.311 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.169 -8.214 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.227 -6.463 3.497 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.633 -8.207 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.111 -7.845 6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.828 -8.765 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.592 -7.038 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.448 -6.177 5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.978 -5.310 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.134 -5.886 3.505 1.00 0.00 H new ATOM 735 N TYR A 90 -9.101 -6.876 0.974 1.00 0.00 N ATOM 736 CA TYR A 90 -7.924 -7.100 0.143 1.00 0.00 C ATOM 737 C TYR A 90 -6.690 -7.362 1.005 1.00 0.00 C ATOM 738 O TYR A 90 -6.147 -6.440 1.619 1.00 0.00 O ATOM 739 CB TYR A 90 -7.681 -5.891 -0.764 1.00 0.00 C ATOM 740 CG TYR A 90 -8.133 -6.106 -2.192 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.941 -7.328 -2.818 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.750 -5.088 -2.908 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.350 -7.533 -4.118 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.164 -5.287 -4.211 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.963 -6.512 -4.811 1.00 0.00 C ATOM 746 OH TYR A 90 -9.375 -6.714 -6.107 1.00 0.00 O ATOM 0 H TYR A 90 -9.034 -6.060 1.582 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.105 -7.980 -0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.203 -5.027 -0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.618 -5.652 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.463 -8.132 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.908 -4.128 -2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.191 -8.490 -4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.643 -4.487 -4.757 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.789 -5.895 -6.450 1.00 0.00 H new ATOM 756 N LYS A 91 -6.245 -8.620 1.038 1.00 0.00 N ATOM 757 CA LYS A 91 -5.065 -8.994 1.814 1.00 0.00 C ATOM 758 C LYS A 91 -3.813 -8.445 1.141 1.00 0.00 C ATOM 759 O LYS A 91 -3.353 -8.985 0.135 1.00 0.00 O ATOM 760 CB LYS A 91 -4.957 -10.519 1.952 1.00 0.00 C ATOM 761 CG LYS A 91 -6.231 -11.187 2.449 1.00 0.00 C ATOM 762 CD LYS A 91 -5.930 -12.477 3.201 1.00 0.00 C ATOM 763 CE LYS A 91 -5.570 -13.612 2.252 1.00 0.00 C ATOM 764 NZ LYS A 91 -4.157 -14.057 2.423 1.00 0.00 N ATOM 0 H LYS A 91 -6.683 -9.393 0.538 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.160 -8.567 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.690 -10.943 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.144 -10.755 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.771 -10.502 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.884 -11.402 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.107 -12.309 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.797 -12.762 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.239 -14.455 2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.726 -13.287 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.954 -14.831 1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.517 -13.260 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.014 -14.391 3.397 1.00 0.00 H new ATOM 778 N VAL A 92 -3.286 -7.354 1.684 1.00 0.00 N ATOM 779 CA VAL A 92 -2.102 -6.714 1.119 1.00 0.00 C ATOM 780 C VAL A 92 -0.919 -6.757 2.081 1.00 0.00 C ATOM 781 O VAL A 92 -1.097 -6.858 3.297 1.00 0.00 O ATOM 782 CB VAL A 92 -2.388 -5.244 0.751 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.490 -5.156 -0.292 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.751 -4.441 1.994 1.00 0.00 C ATOM 0 H VAL A 92 -3.659 -6.894 2.514 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.847 -7.275 0.220 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.482 -4.815 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.676 -4.110 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.184 -5.691 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.402 -5.604 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.949 -3.406 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.641 -4.869 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.923 -4.473 2.702 1.00 0.00 H new ATOM 794 N LEU A 93 0.289 -6.658 1.527 1.00 0.00 N ATOM 795 CA LEU A 93 1.498 -6.665 2.334 1.00 0.00 C ATOM 796 C LEU A 93 1.993 -5.239 2.537 1.00 0.00 C ATOM 797 O LEU A 93 2.091 -4.463 1.586 1.00 0.00 O ATOM 798 CB LEU A 93 2.588 -7.512 1.665 1.00 0.00 C ATOM 799 CG LEU A 93 3.607 -8.150 2.616 1.00 0.00 C ATOM 800 CD1 LEU A 93 2.925 -9.125 3.568 1.00 0.00 C ATOM 801 CD2 LEU A 93 4.700 -8.853 1.823 1.00 0.00 C ATOM 0 H LEU A 93 0.451 -6.572 0.524 1.00 0.00 H new ATOM 0 HA LEU A 93 1.267 -7.105 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.107 -8.304 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.125 -6.885 0.953 1.00 0.00 H new ATOM 0 HG LEU A 93 4.062 -7.359 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.669 -9.565 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.179 -8.594 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.439 -9.914 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.417 -9.302 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.256 -9.632 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.211 -8.130 1.187 1.00 0.00 H new ATOM 813 N PHE A 94 2.298 -4.906 3.780 1.00 0.00 N ATOM 814 CA PHE A 94 2.782 -3.579 4.133 1.00 0.00 C ATOM 815 C PHE A 94 4.310 -3.557 4.196 1.00 0.00 C ATOM 816 O PHE A 94 4.948 -4.601 4.336 1.00 0.00 O ATOM 817 CB PHE A 94 2.192 -3.152 5.480 1.00 0.00 C ATOM 818 CG PHE A 94 0.912 -2.368 5.369 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.168 -2.859 4.649 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.791 -1.135 5.989 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.341 -2.134 4.552 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.379 -0.407 5.895 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.446 -0.907 5.177 1.00 0.00 C ATOM 0 H PHE A 94 2.218 -5.544 4.571 1.00 0.00 H new ATOM 0 HA PHE A 94 2.463 -2.877 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.010 -4.041 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.929 -2.551 6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.091 -3.818 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.622 -0.738 6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.174 -2.527 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.459 0.553 6.383 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.362 -0.340 5.104 1.00 0.00 H new ATOM 833 N PHE A 95 4.889 -2.363 4.098 1.00 0.00 N ATOM 834 CA PHE A 95 6.341 -2.205 4.146 1.00 0.00 C ATOM 835 C PHE A 95 6.720 -0.913 4.875 1.00 0.00 C ATOM 836 O PHE A 95 6.009 0.088 4.776 1.00 0.00 O ATOM 837 CB PHE A 95 6.924 -2.188 2.727 1.00 0.00 C ATOM 838 CG PHE A 95 6.453 -3.325 1.860 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.232 -3.255 1.208 1.00 0.00 C ATOM 840 CD2 PHE A 95 7.231 -4.459 1.701 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.796 -4.297 0.412 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.800 -5.505 0.909 1.00 0.00 C ATOM 843 CZ PHE A 95 5.581 -5.424 0.262 1.00 0.00 C ATOM 0 H PHE A 95 4.375 -1.489 3.985 1.00 0.00 H new ATOM 0 HA PHE A 95 6.756 -3.052 4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.660 -1.245 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.012 -2.220 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.615 -2.376 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.185 -4.526 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.843 -4.231 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.415 -6.386 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.243 -6.240 -0.359 1.00 0.00 H new ATOM 853 N PRO A 96 7.847 -0.911 5.621 1.00 0.00 N ATOM 854 CA PRO A 96 8.728 -2.079 5.772 1.00 0.00 C ATOM 855 C PRO A 96 8.212 -3.083 6.812 1.00 0.00 C ATOM 856 O PRO A 96 7.035 -3.060 7.177 1.00 0.00 O ATOM 857 CB PRO A 96 10.040 -1.446 6.240 1.00 0.00 C ATOM 858 CG PRO A 96 9.622 -0.242 7.016 1.00 0.00 C ATOM 859 CD PRO A 96 8.348 0.254 6.381 1.00 0.00 C ATOM 0 HA PRO A 96 8.809 -2.658 4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.615 -2.136 6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.672 -1.173 5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.461 -0.493 8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.395 0.526 6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.628 0.579 7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.534 1.106 5.728 1.00 0.00 H new ATOM 867 N ASP A 97 9.106 -3.968 7.278 1.00 0.00 N ATOM 868 CA ASP A 97 8.764 -4.989 8.276 1.00 0.00 C ATOM 869 C ASP A 97 7.901 -6.109 7.681 1.00 0.00 C ATOM 870 O ASP A 97 7.440 -6.989 8.412 1.00 0.00 O ATOM 871 CB ASP A 97 8.039 -4.356 9.471 1.00 0.00 C ATOM 872 CG ASP A 97 8.482 -4.936 10.803 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.706 -5.024 11.038 1.00 0.00 O ATOM 874 OD2 ASP A 97 7.603 -5.300 11.613 1.00 0.00 O ATOM 0 H ASP A 97 10.080 -3.995 6.975 1.00 0.00 H new ATOM 0 HA ASP A 97 9.702 -5.431 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.218 -3.281 9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.965 -4.500 9.356 1.00 0.00 H new ATOM 879 N PHE A 98 7.681 -6.076 6.361 1.00 0.00 N ATOM 880 CA PHE A 98 6.868 -7.089 5.684 1.00 0.00 C ATOM 881 C PHE A 98 5.528 -7.294 6.398 1.00 0.00 C ATOM 882 O PHE A 98 4.998 -8.406 6.438 1.00 0.00 O ATOM 883 CB PHE A 98 7.632 -8.414 5.595 1.00 0.00 C ATOM 884 CG PHE A 98 8.283 -8.640 4.261 1.00 0.00 C ATOM 885 CD1 PHE A 98 9.539 -8.120 3.990 1.00 0.00 C ATOM 886 CD2 PHE A 98 7.640 -9.377 3.280 1.00 0.00 C ATOM 887 CE1 PHE A 98 10.142 -8.331 2.766 1.00 0.00 C ATOM 888 CE2 PHE A 98 8.238 -9.591 2.053 1.00 0.00 C ATOM 889 CZ PHE A 98 9.492 -9.069 1.796 1.00 0.00 C ATOM 0 H PHE A 98 8.056 -5.357 5.742 1.00 0.00 H new ATOM 0 HA PHE A 98 6.660 -6.733 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.396 -8.437 6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.945 -9.235 5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.052 -7.543 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.661 -9.789 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 98 11.121 -7.920 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.726 -10.166 1.295 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.963 -9.238 0.839 1.00 0.00 H new ATOM 899 N ASN A 99 4.980 -6.210 6.947 1.00 0.00 N ATOM 900 CA ASN A 99 3.698 -6.266 7.646 1.00 0.00 C ATOM 901 C ASN A 99 2.565 -6.511 6.648 1.00 0.00 C ATOM 902 O ASN A 99 2.822 -6.777 5.474 1.00 0.00 O ATOM 903 CB ASN A 99 3.462 -4.964 8.422 1.00 0.00 C ATOM 904 CG ASN A 99 3.630 -5.140 9.919 1.00 0.00 C ATOM 905 OD1 ASN A 99 4.697 -4.867 10.468 1.00 0.00 O ATOM 906 ND2 ASN A 99 2.577 -5.592 10.592 1.00 0.00 N ATOM 0 H ASN A 99 5.404 -5.283 6.921 1.00 0.00 H new ATOM 0 HA ASN A 99 3.718 -7.092 8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.158 -4.203 8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.457 -4.598 8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.635 -5.724 11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.710 -5.807 10.099 1.00 0.00 H new ATOM 913 N PHE A 100 1.317 -6.428 7.107 1.00 0.00 N ATOM 914 CA PHE A 100 0.164 -6.645 6.226 1.00 0.00 C ATOM 915 C PHE A 100 -1.116 -6.091 6.843 1.00 0.00 C ATOM 916 O PHE A 100 -1.116 -5.610 7.978 1.00 0.00 O ATOM 917 CB PHE A 100 -0.014 -8.135 5.905 1.00 0.00 C ATOM 918 CG PHE A 100 0.567 -9.055 6.938 1.00 0.00 C ATOM 919 CD1 PHE A 100 -0.196 -9.474 8.013 1.00 0.00 C ATOM 920 CD2 PHE A 100 1.877 -9.490 6.837 1.00 0.00 C ATOM 921 CE1 PHE A 100 0.337 -10.312 8.968 1.00 0.00 C ATOM 922 CE2 PHE A 100 2.416 -10.329 7.788 1.00 0.00 C ATOM 923 CZ PHE A 100 1.648 -10.740 8.856 1.00 0.00 C ATOM 0 H PHE A 100 1.077 -6.214 8.075 1.00 0.00 H new ATOM 0 HA PHE A 100 0.362 -6.109 5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.078 -8.349 5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.451 -8.347 4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.219 -9.141 8.105 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.484 -9.168 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.268 -10.634 9.803 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.439 -10.664 7.697 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.069 -11.395 9.604 1.00 0.00 H new ATOM 933 N ALA A 101 -2.205 -6.160 6.080 1.00 0.00 N ATOM 934 CA ALA A 101 -3.497 -5.662 6.541 1.00 0.00 C ATOM 935 C ALA A 101 -4.653 -6.248 5.730 1.00 0.00 C ATOM 936 O ALA A 101 -4.451 -6.817 4.654 1.00 0.00 O ATOM 937 CB ALA A 101 -3.527 -4.141 6.470 1.00 0.00 C ATOM 0 H ALA A 101 -2.217 -6.556 5.140 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.624 -5.980 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.495 -3.780 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.740 -3.732 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.368 -3.822 5.440 1.00 0.00 H new ATOM 943 N TRP A 102 -5.867 -6.091 6.256 1.00 0.00 N ATOM 944 CA TRP A 102 -7.070 -6.587 5.595 1.00 0.00 C ATOM 945 C TRP A 102 -8.168 -5.522 5.618 1.00 0.00 C ATOM 946 O TRP A 102 -8.790 -5.283 6.652 1.00 0.00 O ATOM 947 CB TRP A 102 -7.570 -7.877 6.267 1.00 0.00 C ATOM 948 CG TRP A 102 -7.359 -7.912 7.755 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.235 -8.323 8.416 1.00 0.00 C ATOM 950 CD2 TRP A 102 -8.297 -7.520 8.767 1.00 0.00 C ATOM 951 NE1 TRP A 102 -6.417 -8.208 9.774 1.00 0.00 N ATOM 952 CE2 TRP A 102 -7.674 -7.719 10.014 1.00 0.00 C ATOM 953 CE3 TRP A 102 -9.602 -7.019 8.738 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -8.314 -7.435 11.220 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -10.234 -6.739 9.935 1.00 0.00 C ATOM 956 CH2 TRP A 102 -9.590 -6.946 11.161 1.00 0.00 C ATOM 0 H TRP A 102 -6.042 -5.621 7.144 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.820 -6.813 4.558 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.633 -7.995 6.058 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.061 -8.730 5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.335 -8.685 7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -5.728 -8.448 10.487 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -10.107 -6.854 7.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -7.820 -7.595 12.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -11.243 -6.354 9.924 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -10.111 -6.715 12.078 1.00 0.00 H new ATOM 967 N VAL A 103 -8.398 -4.885 4.470 1.00 0.00 N ATOM 968 CA VAL A 103 -9.419 -3.842 4.361 1.00 0.00 C ATOM 969 C VAL A 103 -10.117 -3.889 3.004 1.00 0.00 C ATOM 970 O VAL A 103 -9.586 -4.443 2.041 1.00 0.00 O ATOM 971 CB VAL A 103 -8.818 -2.434 4.565 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.377 -2.243 6.009 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.656 -2.198 3.609 1.00 0.00 C ATOM 0 H VAL A 103 -7.893 -5.072 3.604 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.146 -4.036 5.149 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.591 -1.698 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.956 -1.245 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.236 -2.359 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.622 -2.988 6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.249 -1.200 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.879 -2.941 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.008 -2.284 2.581 1.00 0.00 H new ATOM 983 N LYS A 104 -11.309 -3.297 2.933 1.00 0.00 N ATOM 984 CA LYS A 104 -12.080 -3.266 1.693 1.00 0.00 C ATOM 985 C LYS A 104 -11.428 -2.342 0.663 1.00 0.00 C ATOM 986 O LYS A 104 -10.623 -1.476 1.013 1.00 0.00 O ATOM 987 CB LYS A 104 -13.514 -2.805 1.971 1.00 0.00 C ATOM 988 CG LYS A 104 -14.536 -3.357 0.991 1.00 0.00 C ATOM 989 CD LYS A 104 -15.959 -3.061 1.441 1.00 0.00 C ATOM 990 CE LYS A 104 -16.611 -4.277 2.086 1.00 0.00 C ATOM 991 NZ LYS A 104 -17.061 -3.999 3.480 1.00 0.00 N ATOM 0 H LYS A 104 -11.761 -2.833 3.721 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.101 -4.276 1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.793 -3.106 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.548 -1.716 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.368 -2.923 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.402 -4.434 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.952 -2.233 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.552 -2.742 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.465 -4.591 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.904 -5.106 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.499 -4.853 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -16.243 -3.724 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.756 -3.225 3.473 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.790 -2.527 -0.608 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.253 -1.711 -1.702 1.00 0.00 C ATOM 1007 C ARG A 105 -11.494 -0.217 -1.457 1.00 0.00 C ATOM 1008 O ARG A 105 -10.762 0.625 -1.975 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.884 -2.119 -3.036 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.853 -3.618 -3.301 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.241 -4.234 -3.207 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.173 -3.651 -4.174 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.379 -4.156 -4.442 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -15.799 -5.261 -3.831 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.171 -3.555 -5.324 1.00 0.00 N ATOM 0 H ARG A 105 -12.457 -3.239 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.178 -1.885 -1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.919 -1.778 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.363 -1.606 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.438 -3.804 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.191 -4.101 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.171 -5.309 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.631 -4.093 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.884 -2.809 -4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.198 -5.728 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.722 -5.641 -4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.857 -2.707 -5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.093 -3.942 -5.528 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.520 0.103 -0.664 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.851 1.495 -0.349 1.00 0.00 C ATOM 1031 C ASN A 106 -11.668 2.202 0.306 1.00 0.00 C ATOM 1032 O ASN A 106 -11.389 3.363 0.008 1.00 0.00 O ATOM 1033 CB ASN A 106 -14.066 1.560 0.577 1.00 0.00 C ATOM 1034 CG ASN A 106 -15.373 1.641 -0.189 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.605 2.584 -0.944 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -16.236 0.649 0.001 1.00 0.00 N ATOM 0 H ASN A 106 -13.136 -0.583 -0.228 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.087 2.002 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.078 0.679 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.976 2.428 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.131 0.651 -0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.004 -0.114 0.636 1.00 0.00 H new ATOM 1043 N SER A 107 -10.972 1.491 1.193 1.00 0.00 N ATOM 1044 CA SER A 107 -9.813 2.050 1.880 1.00 0.00 C ATOM 1045 C SER A 107 -8.516 1.741 1.118 1.00 0.00 C ATOM 1046 O SER A 107 -7.422 1.835 1.680 1.00 0.00 O ATOM 1047 CB SER A 107 -9.729 1.506 3.308 1.00 0.00 C ATOM 1048 OG SER A 107 -9.353 2.521 4.223 1.00 0.00 O ATOM 0 H SER A 107 -11.192 0.529 1.451 1.00 0.00 H new ATOM 0 HA SER A 107 -9.934 3.133 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.694 1.090 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.006 0.691 3.347 1.00 0.00 H new ATOM 0 HG SER A 107 -8.597 2.211 4.763 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.644 1.374 -0.161 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.484 1.055 -0.990 1.00 0.00 C ATOM 1056 C VAL A 108 -7.488 1.874 -2.283 1.00 0.00 C ATOM 1057 O VAL A 108 -8.517 1.996 -2.946 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.447 -0.449 -1.338 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.224 -0.786 -2.183 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.480 -1.294 -0.070 1.00 0.00 C ATOM 0 H VAL A 108 -9.540 1.291 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.595 1.309 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.334 -0.682 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.223 -1.851 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.254 -0.214 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.319 -0.534 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.453 -2.351 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.616 -1.054 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.394 -1.083 0.484 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.325 2.430 -2.638 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.193 3.235 -3.855 1.00 0.00 C ATOM 1072 C LYS A 109 -5.093 2.679 -4.763 1.00 0.00 C ATOM 1073 O LYS A 109 -3.966 2.464 -4.316 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.888 4.694 -3.498 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.945 5.641 -4.690 1.00 0.00 C ATOM 1076 CD LYS A 109 -7.248 6.427 -4.721 1.00 0.00 C ATOM 1077 CE LYS A 109 -7.855 6.451 -6.117 1.00 0.00 C ATOM 1078 NZ LYS A 109 -9.270 6.922 -6.107 1.00 0.00 N ATOM 0 H LYS A 109 -5.463 2.337 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.140 3.190 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.599 5.030 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.897 4.749 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.104 6.332 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.842 5.071 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.958 5.984 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -7.066 7.448 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.261 7.102 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.810 5.451 -6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.643 6.922 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.843 6.286 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.312 7.886 -5.720 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.408 2.438 -6.056 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.438 1.905 -7.027 1.00 0.00 C ATOM 1094 C PRO A 110 -3.163 2.743 -7.103 1.00 0.00 C ATOM 1095 O PRO A 110 -3.218 3.959 -7.302 1.00 0.00 O ATOM 1096 CB PRO A 110 -5.192 1.958 -8.360 1.00 0.00 C ATOM 1097 CG PRO A 110 -6.633 1.941 -7.983 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.730 2.668 -6.670 1.00 0.00 C ATOM 0 HA PRO A 110 -4.103 0.905 -6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.941 2.858 -8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.938 1.107 -8.992 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.241 2.430 -8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.999 0.919 -7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.928 3.730 -6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.535 2.274 -6.050 1.00 0.00 H new ATOM 1106 N LEU A 111 -2.014 2.084 -6.940 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.719 2.762 -6.986 1.00 0.00 C ATOM 1108 C LEU A 111 0.145 2.226 -8.129 1.00 0.00 C ATOM 1109 O LEU A 111 -0.014 1.080 -8.556 1.00 0.00 O ATOM 1110 CB LEU A 111 0.013 2.586 -5.647 1.00 0.00 C ATOM 1111 CG LEU A 111 0.531 3.876 -5.008 1.00 0.00 C ATOM 1112 CD1 LEU A 111 0.909 3.635 -3.554 1.00 0.00 C ATOM 1113 CD2 LEU A 111 1.721 4.425 -5.782 1.00 0.00 C ATOM 0 H LEU A 111 -1.955 1.079 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.897 3.823 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.663 2.098 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.856 1.912 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.268 4.616 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.275 4.563 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.033 3.293 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.689 2.876 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.071 5.342 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.524 3.688 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.421 4.638 -6.808 1.00 0.00 H new ATOM 1125 N LEU A 112 1.064 3.061 -8.619 1.00 0.00 N ATOM 1126 CA LEU A 112 1.958 2.674 -9.711 1.00 0.00 C ATOM 1127 C LEU A 112 3.419 2.908 -9.327 1.00 0.00 C ATOM 1128 O LEU A 112 3.710 3.660 -8.397 1.00 0.00 O ATOM 1129 CB LEU A 112 1.618 3.449 -10.991 1.00 0.00 C ATOM 1130 CG LEU A 112 1.208 4.914 -10.787 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.873 5.810 -11.822 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.306 5.056 -10.852 1.00 0.00 C ATOM 0 H LEU A 112 1.208 4.011 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 112 1.816 1.610 -9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.484 3.421 -11.653 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.808 2.931 -11.504 1.00 0.00 H new ATOM 0 HG LEU A 112 1.544 5.229 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.568 6.844 -11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.956 5.732 -11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.572 5.497 -12.822 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.580 6.101 -10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.661 4.721 -11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.762 4.448 -10.071 1.00 0.00 H new ATOM 1144 N ASP A 113 4.335 2.259 -10.049 1.00 0.00 N ATOM 1145 CA ASP A 113 5.767 2.397 -9.779 1.00 0.00 C ATOM 1146 C ASP A 113 6.221 3.843 -9.956 1.00 0.00 C ATOM 1147 O ASP A 113 6.990 4.358 -9.144 1.00 0.00 O ATOM 1148 CB ASP A 113 6.587 1.480 -10.688 1.00 0.00 C ATOM 1149 CG ASP A 113 7.904 1.075 -10.053 1.00 0.00 C ATOM 1150 OD1 ASP A 113 7.885 0.232 -9.133 1.00 0.00 O ATOM 1151 OD2 ASP A 113 8.953 1.603 -10.473 1.00 0.00 O ATOM 0 H ASP A 113 4.111 1.634 -10.823 1.00 0.00 H new ATOM 0 HA ASP A 113 5.935 2.103 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.007 0.587 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.782 1.987 -11.633 1.00 0.00 H new ATOM 1156 N SER A 114 5.731 4.497 -11.012 1.00 0.00 N ATOM 1157 CA SER A 114 6.077 5.893 -11.277 1.00 0.00 C ATOM 1158 C SER A 114 5.662 6.774 -10.100 1.00 0.00 C ATOM 1159 O SER A 114 6.320 7.769 -9.804 1.00 0.00 O ATOM 1160 CB SER A 114 5.410 6.383 -12.568 1.00 0.00 C ATOM 1161 OG SER A 114 6.309 6.326 -13.663 1.00 0.00 O ATOM 0 H SER A 114 5.096 4.083 -11.694 1.00 0.00 H new ATOM 0 HA SER A 114 7.158 5.960 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.533 5.772 -12.782 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.060 7.407 -12.434 1.00 0.00 H new ATOM 0 HG SER A 114 5.858 6.642 -14.473 1.00 0.00 H new ATOM 1167 N GLU A 115 4.578 6.387 -9.417 1.00 0.00 N ATOM 1168 CA GLU A 115 4.094 7.134 -8.258 1.00 0.00 C ATOM 1169 C GLU A 115 4.956 6.829 -7.033 1.00 0.00 C ATOM 1170 O GLU A 115 5.319 7.733 -6.280 1.00 0.00 O ATOM 1171 CB GLU A 115 2.629 6.793 -7.965 1.00 0.00 C ATOM 1172 CG GLU A 115 1.636 7.563 -8.821 1.00 0.00 C ATOM 1173 CD GLU A 115 1.380 8.961 -8.294 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.726 9.087 -7.238 1.00 0.00 O ATOM 1175 OE2 GLU A 115 1.837 9.930 -8.936 1.00 0.00 O ATOM 0 H GLU A 115 4.023 5.563 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 115 4.163 8.198 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.476 5.725 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.422 6.995 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.013 7.626 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.695 7.015 -8.862 1.00 0.00 H new ATOM 1182 N ILE A 116 5.291 5.549 -6.847 1.00 0.00 N ATOM 1183 CA ILE A 116 6.124 5.123 -5.723 1.00 0.00 C ATOM 1184 C ILE A 116 7.492 5.790 -5.806 1.00 0.00 C ATOM 1185 O ILE A 116 7.912 6.479 -4.875 1.00 0.00 O ATOM 1186 CB ILE A 116 6.303 3.585 -5.681 1.00 0.00 C ATOM 1187 CG1 ILE A 116 4.943 2.887 -5.561 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.207 3.180 -4.522 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.002 1.395 -5.818 1.00 0.00 C ATOM 0 H ILE A 116 4.997 4.790 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 116 5.614 5.426 -4.808 1.00 0.00 H new ATOM 0 HB ILE A 116 6.774 3.272 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.542 3.060 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.247 3.341 -6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.320 2.096 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.185 3.645 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.763 3.509 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.004 0.968 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.372 1.214 -6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.672 0.928 -5.096 1.00 0.00 H new ATOM 1201 N ALA A 117 8.171 5.601 -6.940 1.00 0.00 N ATOM 1202 CA ALA A 117 9.481 6.208 -7.164 1.00 0.00 C ATOM 1203 C ALA A 117 9.412 7.709 -6.909 1.00 0.00 C ATOM 1204 O ALA A 117 10.315 8.291 -6.308 1.00 0.00 O ATOM 1205 CB ALA A 117 9.960 5.939 -8.583 1.00 0.00 C ATOM 0 H ALA A 117 7.833 5.032 -7.716 1.00 0.00 H new ATOM 0 HA ALA A 117 10.193 5.762 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.937 6.399 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.037 4.864 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.249 6.361 -9.293 1.00 0.00 H new ATOM 1211 N LYS A 118 8.320 8.324 -7.369 1.00 0.00 N ATOM 1212 CA LYS A 118 8.109 9.756 -7.191 1.00 0.00 C ATOM 1213 C LYS A 118 7.964 10.103 -5.719 1.00 0.00 C ATOM 1214 O LYS A 118 8.668 10.970 -5.207 1.00 0.00 O ATOM 1215 CB LYS A 118 6.870 10.214 -7.947 1.00 0.00 C ATOM 1216 CG LYS A 118 7.121 11.455 -8.765 1.00 0.00 C ATOM 1217 CD LYS A 118 7.007 11.165 -10.253 1.00 0.00 C ATOM 1218 CE LYS A 118 6.932 12.444 -11.072 1.00 0.00 C ATOM 1219 NZ LYS A 118 6.378 12.205 -12.434 1.00 0.00 N ATOM 0 H LYS A 118 7.569 7.848 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 118 8.982 10.272 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.531 9.412 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.065 10.407 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.405 12.228 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.114 11.845 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.866 10.576 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.119 10.561 -10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.310 13.172 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.928 12.878 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.345 13.103 -12.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.985 11.530 -12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.417 11.815 -12.354 1.00 0.00 H new ATOM 1233 N PHE A 119 7.048 9.411 -5.047 1.00 0.00 N ATOM 1234 CA PHE A 119 6.812 9.631 -3.619 1.00 0.00 C ATOM 1235 C PHE A 119 8.137 9.645 -2.863 1.00 0.00 C ATOM 1236 O PHE A 119 8.357 10.480 -1.985 1.00 0.00 O ATOM 1237 CB PHE A 119 5.893 8.532 -3.068 1.00 0.00 C ATOM 1238 CG PHE A 119 5.807 8.476 -1.563 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.861 7.976 -0.807 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.667 8.909 -0.906 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.775 7.913 0.571 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.578 8.846 0.473 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.633 8.347 1.208 1.00 0.00 C ATOM 0 H PHE A 119 6.456 8.693 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 119 6.326 10.597 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.891 8.680 -3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.244 7.567 -3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.757 7.633 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.838 9.300 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.601 7.524 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.684 9.187 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.564 8.296 2.285 1.00 0.00 H new ATOM 1253 N LEU A 120 9.017 8.714 -3.221 1.00 0.00 N ATOM 1254 CA LEU A 120 10.326 8.611 -2.593 1.00 0.00 C ATOM 1255 C LEU A 120 11.236 9.757 -3.031 1.00 0.00 C ATOM 1256 O LEU A 120 12.026 10.270 -2.238 1.00 0.00 O ATOM 1257 CB LEU A 120 10.974 7.275 -2.943 1.00 0.00 C ATOM 1258 CG LEU A 120 10.257 6.050 -2.382 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.187 4.943 -3.428 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.958 5.561 -1.126 1.00 0.00 C ATOM 0 H LEU A 120 8.844 8.018 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 120 10.188 8.673 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.024 7.184 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.000 7.278 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 120 9.237 6.333 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.672 4.078 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.642 5.302 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.197 4.657 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.437 4.687 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.987 5.293 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.953 6.351 -0.376 1.00 0.00 H new ATOM 1272 N GLY A 121 11.110 10.163 -4.299 1.00 0.00 N ATOM 1273 CA GLY A 121 11.919 11.252 -4.815 1.00 0.00 C ATOM 1274 C GLY A 121 11.368 12.624 -4.449 1.00 0.00 C ATOM 1275 O GLY A 121 11.875 13.643 -4.924 1.00 0.00 O ATOM 0 H GLY A 121 10.462 9.755 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.934 11.159 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.982 11.169 -5.900 1.00 0.00 H new ATOM 1369 N SER A 127 9.170 12.118 4.782 1.00 0.00 N ATOM 1370 CA SER A 127 9.421 11.700 6.159 1.00 0.00 C ATOM 1371 C SER A 127 10.200 10.389 6.186 1.00 0.00 C ATOM 1372 O SER A 127 10.002 9.532 5.327 1.00 0.00 O ATOM 1373 CB SER A 127 8.097 11.536 6.913 1.00 0.00 C ATOM 1374 OG SER A 127 8.225 11.947 8.265 1.00 0.00 O ATOM 0 HA SER A 127 10.016 12.471 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.321 12.124 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.780 10.494 6.875 1.00 0.00 H new ATOM 0 HG SER A 127 8.093 11.176 8.855 1.00 0.00 H new ATOM 1380 N LYS A 128 11.079 10.232 7.175 1.00 0.00 N ATOM 1381 CA LYS A 128 11.877 9.011 7.301 1.00 0.00 C ATOM 1382 C LYS A 128 10.971 7.783 7.380 1.00 0.00 C ATOM 1383 O LYS A 128 11.256 6.755 6.766 1.00 0.00 O ATOM 1384 CB LYS A 128 12.783 9.079 8.537 1.00 0.00 C ATOM 1385 CG LYS A 128 14.162 9.658 8.252 1.00 0.00 C ATOM 1386 CD LYS A 128 15.229 8.575 8.212 1.00 0.00 C ATOM 1387 CE LYS A 128 16.547 9.107 7.669 1.00 0.00 C ATOM 1388 NZ LYS A 128 17.481 9.521 8.757 1.00 0.00 N ATOM 0 H LYS A 128 11.257 10.930 7.897 1.00 0.00 H new ATOM 0 HA LYS A 128 12.506 8.925 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.295 9.684 9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.897 8.076 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.145 10.187 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.415 10.390 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.382 8.177 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.886 7.748 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.022 8.340 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.352 9.958 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.365 9.876 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.040 10.272 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.690 8.704 9.365 1.00 0.00 H new ATOM 1402 N GLU A 129 9.870 7.908 8.127 1.00 0.00 N ATOM 1403 CA GLU A 129 8.911 6.816 8.273 1.00 0.00 C ATOM 1404 C GLU A 129 8.119 6.605 6.980 1.00 0.00 C ATOM 1405 O GLU A 129 7.739 5.480 6.652 1.00 0.00 O ATOM 1406 CB GLU A 129 7.947 7.094 9.433 1.00 0.00 C ATOM 1407 CG GLU A 129 7.096 8.343 9.241 1.00 0.00 C ATOM 1408 CD GLU A 129 7.012 9.194 10.493 1.00 0.00 C ATOM 1409 OE1 GLU A 129 7.932 10.008 10.720 1.00 0.00 O ATOM 1410 OE2 GLU A 129 6.025 9.048 11.244 1.00 0.00 O ATOM 0 H GLU A 129 9.623 8.755 8.639 1.00 0.00 H new ATOM 0 HA GLU A 129 9.473 5.907 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.289 6.234 9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.521 7.195 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.512 8.939 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.091 8.049 8.938 1.00 0.00 H new ATOM 1417 N LEU A 130 7.869 7.695 6.249 1.00 0.00 N ATOM 1418 CA LEU A 130 7.120 7.625 4.995 1.00 0.00 C ATOM 1419 C LEU A 130 7.995 7.080 3.871 1.00 0.00 C ATOM 1420 O LEU A 130 7.592 6.171 3.147 1.00 0.00 O ATOM 1421 CB LEU A 130 6.572 9.009 4.608 1.00 0.00 C ATOM 1422 CG LEU A 130 5.144 9.318 5.075 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.135 8.428 4.361 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.023 9.166 6.586 1.00 0.00 C ATOM 0 H LEU A 130 8.174 8.634 6.505 1.00 0.00 H new ATOM 0 HA LEU A 130 6.281 6.946 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.239 9.769 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.607 9.102 3.523 1.00 0.00 H new ATOM 0 HG LEU A 130 4.923 10.354 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.130 8.666 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.197 8.598 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.356 7.382 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.002 9.390 6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.271 8.143 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.710 9.856 7.077 1.00 0.00 H new ATOM 1436 N ILE A 131 9.195 7.641 3.728 1.00 0.00 N ATOM 1437 CA ILE A 131 10.119 7.202 2.690 1.00 0.00 C ATOM 1438 C ILE A 131 10.473 5.729 2.863 1.00 0.00 C ATOM 1439 O ILE A 131 10.428 4.961 1.904 1.00 0.00 O ATOM 1440 CB ILE A 131 11.420 8.035 2.677 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.103 9.519 2.469 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.354 7.530 1.586 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.224 10.447 2.885 1.00 0.00 C ATOM 0 H ILE A 131 9.547 8.397 4.316 1.00 0.00 H new ATOM 0 HA ILE A 131 9.607 7.348 1.739 1.00 0.00 H new ATOM 0 HB ILE A 131 11.917 7.923 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.875 9.688 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.206 9.772 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.268 8.124 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.601 6.485 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.863 7.619 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.926 11.480 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.438 10.307 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.117 10.222 2.302 1.00 0.00 H new ATOM 1455 N GLU A 132 10.819 5.335 4.092 1.00 0.00 N ATOM 1456 CA GLU A 132 11.173 3.945 4.373 1.00 0.00 C ATOM 1457 C GLU A 132 10.044 3.003 3.959 1.00 0.00 C ATOM 1458 O GLU A 132 10.295 1.872 3.540 1.00 0.00 O ATOM 1459 CB GLU A 132 11.506 3.754 5.859 1.00 0.00 C ATOM 1460 CG GLU A 132 10.291 3.812 6.777 1.00 0.00 C ATOM 1461 CD GLU A 132 10.594 3.391 8.206 1.00 0.00 C ATOM 1462 OE1 GLU A 132 11.665 2.796 8.446 1.00 0.00 O ATOM 1463 OE2 GLU A 132 9.750 3.656 9.089 1.00 0.00 O ATOM 0 H GLU A 132 10.861 5.955 4.901 1.00 0.00 H new ATOM 0 HA GLU A 132 12.059 3.702 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.002 2.792 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 132 12.216 4.523 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.896 4.828 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.509 3.168 6.374 1.00 0.00 H new ATOM 1470 N ALA A 133 8.802 3.476 4.074 1.00 0.00 N ATOM 1471 CA ALA A 133 7.643 2.675 3.703 1.00 0.00 C ATOM 1472 C ALA A 133 7.604 2.431 2.206 1.00 0.00 C ATOM 1473 O ALA A 133 7.535 1.286 1.756 1.00 0.00 O ATOM 1474 CB ALA A 133 6.365 3.356 4.159 1.00 0.00 C ATOM 0 H ALA A 133 8.577 4.408 4.421 1.00 0.00 H new ATOM 0 HA ALA A 133 7.726 1.709 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.507 2.747 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.383 3.475 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.286 4.335 3.687 1.00 0.00 H new ATOM 1480 N TYR A 134 7.653 3.511 1.437 1.00 0.00 N ATOM 1481 CA TYR A 134 7.626 3.406 -0.021 1.00 0.00 C ATOM 1482 C TYR A 134 8.902 2.749 -0.547 1.00 0.00 C ATOM 1483 O TYR A 134 8.867 2.027 -1.546 1.00 0.00 O ATOM 1484 CB TYR A 134 7.432 4.783 -0.660 1.00 0.00 C ATOM 1485 CG TYR A 134 5.992 5.083 -1.030 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.034 5.322 -0.051 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.596 5.132 -2.360 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.724 5.602 -0.389 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.288 5.410 -2.703 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.355 5.646 -1.715 1.00 0.00 C ATOM 1491 OH TYR A 134 2.054 5.930 -2.057 1.00 0.00 O ATOM 0 H TYR A 134 7.711 4.465 1.793 1.00 0.00 H new ATOM 0 HA TYR A 134 6.780 2.775 -0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.788 5.548 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.050 4.849 -1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.318 5.288 0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.322 4.950 -3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 134 2.992 5.786 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.996 5.443 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 134 2.036 6.383 -2.926 1.00 0.00 H new ATOM 1501 N GLU A 135 10.022 2.987 0.135 1.00 0.00 N ATOM 1502 CA GLU A 135 11.296 2.396 -0.264 1.00 0.00 C ATOM 1503 C GLU A 135 11.318 0.903 0.047 1.00 0.00 C ATOM 1504 O GLU A 135 12.005 0.131 -0.627 1.00 0.00 O ATOM 1505 CB GLU A 135 12.460 3.093 0.442 1.00 0.00 C ATOM 1506 CG GLU A 135 13.727 3.163 -0.396 1.00 0.00 C ATOM 1507 CD GLU A 135 14.883 3.810 0.344 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.318 3.253 1.373 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.355 4.873 -0.112 1.00 0.00 O ATOM 0 H GLU A 135 10.072 3.582 0.962 1.00 0.00 H new ATOM 0 HA GLU A 135 11.407 2.532 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.157 4.105 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.678 2.567 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.013 2.156 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.524 3.725 -1.308 1.00 0.00 H new ATOM 1516 N ALA A 136 10.554 0.497 1.065 1.00 0.00 N ATOM 1517 CA ALA A 136 10.482 -0.908 1.453 1.00 0.00 C ATOM 1518 C ALA A 136 9.525 -1.677 0.543 1.00 0.00 C ATOM 1519 O ALA A 136 9.634 -2.896 0.403 1.00 0.00 O ATOM 1520 CB ALA A 136 10.056 -1.034 2.907 1.00 0.00 C ATOM 0 H ALA A 136 9.980 1.121 1.631 1.00 0.00 H new ATOM 0 HA ALA A 136 11.475 -1.344 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 136 10.007 -2.088 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.781 -0.526 3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.075 -0.578 3.039 1.00 0.00 H new ATOM 1526 N SER A 137 8.587 -0.953 -0.078 1.00 0.00 N ATOM 1527 CA SER A 137 7.613 -1.560 -0.982 1.00 0.00 C ATOM 1528 C SER A 137 8.232 -1.830 -2.353 1.00 0.00 C ATOM 1529 O SER A 137 7.927 -2.840 -2.990 1.00 0.00 O ATOM 1530 CB SER A 137 6.383 -0.661 -1.137 1.00 0.00 C ATOM 1531 OG SER A 137 5.713 -0.491 0.102 1.00 0.00 O ATOM 0 H SER A 137 8.485 0.056 0.032 1.00 0.00 H new ATOM 0 HA SER A 137 7.304 -2.510 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.686 0.311 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.700 -1.097 -1.866 1.00 0.00 H new ATOM 0 HG SER A 137 5.506 -1.369 0.485 1.00 0.00 H new ATOM 1537 N LYS A 138 9.104 -0.925 -2.803 1.00 0.00 N ATOM 1538 CA LYS A 138 9.769 -1.071 -4.101 1.00 0.00 C ATOM 1539 C LYS A 138 10.531 -2.400 -4.192 1.00 0.00 C ATOM 1540 O LYS A 138 10.620 -2.993 -5.269 1.00 0.00 O ATOM 1541 CB LYS A 138 10.723 0.101 -4.349 1.00 0.00 C ATOM 1542 CG LYS A 138 10.754 0.568 -5.800 1.00 0.00 C ATOM 1543 CD LYS A 138 10.115 1.944 -5.965 1.00 0.00 C ATOM 1544 CE LYS A 138 10.897 2.815 -6.937 1.00 0.00 C ATOM 1545 NZ LYS A 138 12.311 3.020 -6.503 1.00 0.00 N ATOM 0 H LYS A 138 9.366 -0.084 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 138 8.997 -1.070 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.431 0.937 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.729 -0.191 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.786 0.602 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.229 -0.154 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.091 1.829 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 138 10.061 2.439 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.886 2.354 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 138 10.404 3.783 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.641 3.952 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 12.366 2.973 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.912 2.278 -6.916 1.00 0.00 H new ATOM 1559 N THR A 139 11.067 -2.865 -3.055 1.00 0.00 N ATOM 1560 CA THR A 139 11.813 -4.130 -2.987 1.00 0.00 C ATOM 1561 C THR A 139 11.052 -5.266 -3.672 1.00 0.00 C ATOM 1562 O THR A 139 10.055 -5.763 -3.143 1.00 0.00 O ATOM 1563 CB THR A 139 12.092 -4.501 -1.523 1.00 0.00 C ATOM 1564 OG1 THR A 139 12.230 -3.340 -0.717 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.342 -5.337 -1.340 1.00 0.00 C ATOM 0 H THR A 139 10.997 -2.378 -2.161 1.00 0.00 H new ATOM 0 HA THR A 139 12.757 -3.988 -3.513 1.00 0.00 H new ATOM 0 HB THR A 139 11.229 -5.092 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 139 11.377 -3.146 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.478 -5.562 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 139 13.243 -6.267 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 139 14.207 -4.784 -1.707 1.00 0.00 H new