USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 694 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 47 LYS NZ :NH3+ -165:sc= 0.141 (180deg=0) USER MOD Set 1.2: A 73 CYS SG : rot 81:sc= 0.321 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= -0.777 (180deg=-0.777) USER MOD Single : A 14 SER OG : rot -124:sc= 0.828 USER MOD Single : A 19 ASN : amide:sc= -0.0209 K(o=-0.021,f=-2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.52! C(o=-2.5!,f=-8.8!) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 35 TYR OH : rot 130:sc= 0 USER MOD Single : A 38 MET CE :methyl -110:sc= -0.61 (180deg=-2.55!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.203 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -12:sc= 1.11 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.056) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.39) USER MOD Single : A 98 MET CE :methyl -147:sc= -0.319 (180deg=-0.935) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -9.626 4.214 0.297 1.00 0.00 N ATOM 74 CA PRO A 7 -8.226 3.887 -0.017 1.00 0.00 C ATOM 75 C PRO A 7 -7.786 2.502 0.503 1.00 0.00 C ATOM 76 O PRO A 7 -6.908 2.376 1.365 1.00 0.00 O ATOM 77 CB PRO A 7 -7.412 5.039 0.598 1.00 0.00 C ATOM 78 CG PRO A 7 -8.238 5.329 1.845 1.00 0.00 C ATOM 79 CD PRO A 7 -9.645 5.306 1.258 1.00 0.00 C ATOM 0 HA PRO A 7 -8.071 3.804 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.391 4.743 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.347 5.901 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.099 4.574 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.991 6.292 2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.394 5.140 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.889 6.253 0.777 1.00 0.00 H new ATOM 87 N VAL A 8 -8.381 1.431 -0.014 1.00 0.00 N ATOM 88 CA VAL A 8 -8.207 0.078 0.510 1.00 0.00 C ATOM 89 C VAL A 8 -7.968 -0.887 -0.650 1.00 0.00 C ATOM 90 O VAL A 8 -8.497 -0.724 -1.754 1.00 0.00 O ATOM 91 CB VAL A 8 -9.415 -0.294 1.397 1.00 0.00 C ATOM 92 CG1 VAL A 8 -9.333 -1.722 1.950 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.527 0.610 2.637 1.00 0.00 C ATOM 0 H VAL A 8 -9.006 1.478 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.328 0.015 1.151 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.271 -0.179 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.210 -1.925 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.298 -2.431 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.433 -1.827 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.391 0.310 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.624 0.515 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.646 1.647 2.322 1.00 0.00 H new ATOM 103 N VAL A 9 -7.119 -1.889 -0.407 1.00 0.00 N ATOM 104 CA VAL A 9 -6.778 -2.939 -1.350 1.00 0.00 C ATOM 105 C VAL A 9 -7.947 -3.925 -1.351 1.00 0.00 C ATOM 106 O VAL A 9 -8.022 -4.820 -0.506 1.00 0.00 O ATOM 107 CB VAL A 9 -5.388 -3.548 -1.029 1.00 0.00 C ATOM 108 CG1 VAL A 9 -4.857 -4.495 -2.126 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.339 -2.436 -0.882 1.00 0.00 C ATOM 0 H VAL A 9 -6.637 -1.988 0.486 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.655 -2.566 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.535 -4.112 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.881 -4.882 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.552 -5.325 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.762 -3.948 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.369 -2.879 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.274 -1.872 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.629 -1.767 -0.072 1.00 0.00 H new ATOM 119 N GLY A 10 -8.861 -3.709 -2.299 1.00 0.00 N ATOM 120 CA GLY A 10 -9.908 -4.615 -2.737 1.00 0.00 C ATOM 121 C GLY A 10 -9.999 -4.474 -4.246 1.00 0.00 C ATOM 122 O GLY A 10 -10.776 -3.667 -4.737 1.00 0.00 O ATOM 0 H GLY A 10 -8.885 -2.829 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.674 -5.642 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.859 -4.365 -2.266 1.00 0.00 H new ATOM 126 N MET A 11 -9.149 -5.198 -4.979 1.00 0.00 N ATOM 127 CA MET A 11 -9.215 -5.447 -6.422 1.00 0.00 C ATOM 128 C MET A 11 -9.249 -4.240 -7.380 1.00 0.00 C ATOM 129 O MET A 11 -9.288 -4.456 -8.594 1.00 0.00 O ATOM 130 CB MET A 11 -10.334 -6.464 -6.704 1.00 0.00 C ATOM 131 CG MET A 11 -9.871 -7.507 -7.721 1.00 0.00 C ATOM 132 SD MET A 11 -11.089 -8.780 -8.134 1.00 0.00 S ATOM 133 CE MET A 11 -9.974 -9.974 -8.909 1.00 0.00 C ATOM 0 H MET A 11 -8.344 -5.656 -4.552 1.00 0.00 H new ATOM 0 HA MET A 11 -8.235 -5.853 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.626 -6.957 -5.777 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.216 -5.947 -7.082 1.00 0.00 H new ATOM 0 HG2 MET A 11 -9.582 -6.993 -8.638 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.977 -7.995 -7.334 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.543 -10.844 -9.236 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.488 -9.513 -9.769 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.217 -10.286 -8.189 1.00 0.00 H new ATOM 143 N ASP A 12 -9.135 -3.000 -6.894 1.00 0.00 N ATOM 144 CA ASP A 12 -9.049 -1.811 -7.746 1.00 0.00 C ATOM 145 C ASP A 12 -7.904 -0.893 -7.314 1.00 0.00 C ATOM 146 O ASP A 12 -8.076 -0.006 -6.475 1.00 0.00 O ATOM 147 CB ASP A 12 -10.391 -1.071 -7.786 1.00 0.00 C ATOM 148 CG ASP A 12 -10.447 -0.091 -8.959 1.00 0.00 C ATOM 149 OD1 ASP A 12 -9.421 0.109 -9.656 1.00 0.00 O ATOM 150 OD2 ASP A 12 -11.564 0.347 -9.311 1.00 0.00 O ATOM 0 H ASP A 12 -9.100 -2.793 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.824 -2.140 -8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.204 -1.792 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.540 -0.532 -6.851 1.00 0.00 H new ATOM 155 N LYS A 13 -6.676 -1.144 -7.784 1.00 0.00 N ATOM 156 CA LYS A 13 -5.528 -0.280 -7.533 1.00 0.00 C ATOM 157 C LYS A 13 -5.642 0.974 -8.395 1.00 0.00 C ATOM 158 O LYS A 13 -4.897 1.122 -9.362 1.00 0.00 O ATOM 159 CB LYS A 13 -4.195 -1.020 -7.761 1.00 0.00 C ATOM 160 CG LYS A 13 -3.826 -2.178 -6.819 1.00 0.00 C ATOM 161 CD LYS A 13 -4.136 -2.004 -5.332 1.00 0.00 C ATOM 162 CE LYS A 13 -5.059 -3.128 -4.849 1.00 0.00 C ATOM 163 NZ LYS A 13 -6.302 -3.323 -5.620 1.00 0.00 N ATOM 0 H LYS A 13 -6.455 -1.961 -8.354 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.531 0.017 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.203 -1.411 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.394 -0.283 -7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.342 -3.073 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.757 -2.366 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.210 -2.011 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.609 -1.037 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.498 -4.062 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.326 -2.930 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.848 -4.106 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.869 -2.452 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.066 -3.549 -6.607 1.00 0.00 H new ATOM 177 N SER A 14 -6.555 1.868 -8.020 1.00 0.00 N ATOM 178 CA SER A 14 -6.711 3.188 -8.614 1.00 0.00 C ATOM 179 C SER A 14 -7.137 4.264 -7.599 1.00 0.00 C ATOM 180 O SER A 14 -6.991 5.457 -7.873 1.00 0.00 O ATOM 181 CB SER A 14 -7.726 3.074 -9.758 1.00 0.00 C ATOM 182 OG SER A 14 -8.993 2.672 -9.274 1.00 0.00 O ATOM 0 H SER A 14 -7.225 1.686 -7.272 1.00 0.00 H new ATOM 0 HA SER A 14 -5.742 3.517 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.815 4.034 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.369 2.354 -10.495 1.00 0.00 H new ATOM 0 HG SER A 14 -9.282 1.864 -9.747 1.00 0.00 H new ATOM 188 N LEU A 15 -7.643 3.850 -6.434 1.00 0.00 N ATOM 189 CA LEU A 15 -8.262 4.676 -5.403 1.00 0.00 C ATOM 190 C LEU A 15 -7.418 4.554 -4.138 1.00 0.00 C ATOM 191 O LEU A 15 -7.687 3.665 -3.337 1.00 0.00 O ATOM 192 CB LEU A 15 -9.742 4.313 -5.134 1.00 0.00 C ATOM 193 CG LEU A 15 -10.191 2.867 -5.463 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.762 2.113 -4.267 1.00 0.00 C ATOM 195 CD2 LEU A 15 -11.201 2.948 -6.603 1.00 0.00 C ATOM 0 H LEU A 15 -7.628 2.864 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.287 5.709 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.948 4.499 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.367 4.999 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.314 2.290 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.054 1.109 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.006 2.047 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.634 2.643 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.539 1.945 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.055 3.550 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.732 3.408 -7.473 1.00 0.00 H new ATOM 207 N PHE A 16 -6.369 5.370 -3.996 1.00 0.00 N ATOM 208 CA PHE A 16 -5.541 5.446 -2.786 1.00 0.00 C ATOM 209 C PHE A 16 -5.111 6.877 -2.475 1.00 0.00 C ATOM 210 O PHE A 16 -5.256 7.335 -1.335 1.00 0.00 O ATOM 211 CB PHE A 16 -4.299 4.548 -2.901 1.00 0.00 C ATOM 212 CG PHE A 16 -4.629 3.079 -2.858 1.00 0.00 C ATOM 213 CD1 PHE A 16 -5.149 2.421 -3.986 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.534 2.409 -1.635 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.647 1.118 -3.855 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.963 1.080 -1.522 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.533 0.443 -2.634 1.00 0.00 C ATOM 0 H PHE A 16 -6.065 6.008 -4.731 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.162 5.090 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.781 4.771 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.610 4.784 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.165 2.916 -4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.128 2.918 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.119 0.634 -4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.856 0.551 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.886 -0.574 -2.548 1.00 0.00 H new ATOM 227 N ALA A 17 -4.532 7.560 -3.465 1.00 0.00 N ATOM 228 CA ALA A 17 -4.064 8.935 -3.401 1.00 0.00 C ATOM 229 C ALA A 17 -5.287 9.858 -3.371 1.00 0.00 C ATOM 230 O ALA A 17 -5.769 10.301 -4.419 1.00 0.00 O ATOM 231 CB ALA A 17 -3.155 9.224 -4.602 1.00 0.00 C ATOM 0 H ALA A 17 -4.371 7.140 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.476 9.108 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.805 10.255 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.300 8.549 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.714 9.074 -5.526 1.00 0.00 H new ATOM 237 N GLY A 18 -5.827 10.134 -2.187 1.00 0.00 N ATOM 238 CA GLY A 18 -7.085 10.843 -2.026 1.00 0.00 C ATOM 239 C GLY A 18 -7.402 11.142 -0.573 1.00 0.00 C ATOM 240 O GLY A 18 -7.843 12.259 -0.284 1.00 0.00 O ATOM 0 H GLY A 18 -5.394 9.866 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.046 11.778 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.891 10.248 -2.455 1.00 0.00 H new ATOM 244 N ASN A 19 -7.159 10.184 0.334 1.00 0.00 N ATOM 245 CA ASN A 19 -7.413 10.354 1.766 1.00 0.00 C ATOM 246 C ASN A 19 -6.086 10.433 2.525 1.00 0.00 C ATOM 247 O ASN A 19 -5.173 9.658 2.254 1.00 0.00 O ATOM 248 CB ASN A 19 -8.299 9.211 2.266 1.00 0.00 C ATOM 249 CG ASN A 19 -8.890 9.496 3.642 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.862 10.631 4.116 1.00 0.00 O ATOM 251 ND2 ASN A 19 -9.333 8.460 4.350 1.00 0.00 N ATOM 0 H ASN A 19 -6.780 9.269 0.091 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.944 11.289 1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.107 9.042 1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.714 8.292 2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.659 8.598 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.347 7.528 3.936 1.00 0.00 H new ATOM 258 N THR A 20 -5.956 11.403 3.423 1.00 0.00 N ATOM 259 CA THR A 20 -4.695 11.984 3.889 1.00 0.00 C ATOM 260 C THR A 20 -4.233 11.462 5.261 1.00 0.00 C ATOM 261 O THR A 20 -3.288 11.995 5.837 1.00 0.00 O ATOM 262 CB THR A 20 -4.925 13.510 3.941 1.00 0.00 C ATOM 263 OG1 THR A 20 -6.156 13.808 4.595 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.983 14.111 2.532 1.00 0.00 C ATOM 0 H THR A 20 -6.767 11.830 3.871 1.00 0.00 H new ATOM 0 HA THR A 20 -3.895 11.700 3.205 1.00 0.00 H new ATOM 0 HB THR A 20 -4.088 13.941 4.491 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.286 14.779 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.146 15.187 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.042 13.919 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.802 13.655 1.975 1.00 0.00 H new ATOM 272 N VAL A 21 -4.925 10.470 5.819 1.00 0.00 N ATOM 273 CA VAL A 21 -4.882 10.090 7.237 1.00 0.00 C ATOM 274 C VAL A 21 -4.767 8.560 7.387 1.00 0.00 C ATOM 275 O VAL A 21 -5.070 7.974 8.430 1.00 0.00 O ATOM 276 CB VAL A 21 -6.082 10.769 7.947 1.00 0.00 C ATOM 277 CG1 VAL A 21 -7.441 10.397 7.340 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.125 10.546 9.464 1.00 0.00 C ATOM 0 H VAL A 21 -5.558 9.883 5.276 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.987 10.454 7.741 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.902 11.830 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.235 10.907 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.467 10.700 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.588 9.319 7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.994 11.054 9.882 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.193 9.478 9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.218 10.947 9.917 1.00 0.00 H new ATOM 288 N ILE A 22 -4.364 7.869 6.322 1.00 0.00 N ATOM 289 CA ILE A 22 -4.259 6.426 6.250 1.00 0.00 C ATOM 290 C ILE A 22 -2.798 6.119 6.508 1.00 0.00 C ATOM 291 O ILE A 22 -1.971 6.145 5.596 1.00 0.00 O ATOM 292 CB ILE A 22 -4.885 5.855 4.960 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.596 4.346 4.899 1.00 0.00 C ATOM 294 CG2 ILE A 22 -4.471 6.569 3.651 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.358 3.649 3.780 1.00 0.00 C ATOM 0 H ILE A 22 -4.092 8.326 5.452 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.853 5.908 7.003 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.957 6.042 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.527 4.190 4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.861 3.890 5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.965 6.092 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.766 7.617 3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.390 6.501 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.117 2.586 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.429 3.778 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.074 4.083 2.821 1.00 0.00 H new ATOM 307 N ARG A 23 -2.494 5.920 7.786 1.00 0.00 N ATOM 308 CA ARG A 23 -1.160 5.624 8.266 1.00 0.00 C ATOM 309 C ARG A 23 -0.742 4.217 7.887 1.00 0.00 C ATOM 310 O ARG A 23 0.456 3.953 7.952 1.00 0.00 O ATOM 311 CB ARG A 23 -1.108 5.797 9.787 1.00 0.00 C ATOM 312 CG ARG A 23 -1.204 7.275 10.201 1.00 0.00 C ATOM 313 CD ARG A 23 -1.213 7.413 11.725 1.00 0.00 C ATOM 314 NE ARG A 23 -2.381 6.732 12.305 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.873 6.888 13.533 1.00 0.00 C ATOM 316 NH1 ARG A 23 -2.269 7.690 14.399 1.00 0.00 N ATOM 317 NH2 ARG A 23 -3.987 6.252 13.872 1.00 0.00 N ATOM 0 H ARG A 23 -3.190 5.962 8.531 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.464 6.320 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.925 5.239 10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.179 5.373 10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.362 7.829 9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.111 7.715 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.297 6.990 12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.228 8.468 11.999 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.867 6.069 11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.423 8.191 14.126 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.650 7.806 15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.457 5.651 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.373 6.364 14.809 1.00 0.00 H new ATOM 331 N GLU A 24 -1.668 3.327 7.530 1.00 0.00 N ATOM 332 CA GLU A 24 -1.436 1.890 7.449 1.00 0.00 C ATOM 333 C GLU A 24 -2.132 1.349 6.202 1.00 0.00 C ATOM 334 O GLU A 24 -3.357 1.438 6.103 1.00 0.00 O ATOM 335 CB GLU A 24 -2.024 1.217 8.707 1.00 0.00 C ATOM 336 CG GLU A 24 -1.328 1.566 10.035 1.00 0.00 C ATOM 337 CD GLU A 24 -2.289 1.439 11.228 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.828 0.334 11.477 1.00 0.00 O ATOM 339 OE2 GLU A 24 -2.516 2.457 11.924 1.00 0.00 O ATOM 0 H GLU A 24 -2.621 3.594 7.284 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.368 1.681 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.076 1.491 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.986 0.136 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.474 0.905 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.940 2.583 9.987 1.00 0.00 H new ATOM 346 N ILE A 25 -1.393 0.747 5.264 1.00 0.00 N ATOM 347 CA ILE A 25 -1.952 0.086 4.077 1.00 0.00 C ATOM 348 C ILE A 25 -1.642 -1.412 4.179 1.00 0.00 C ATOM 349 O ILE A 25 -0.512 -1.802 4.464 1.00 0.00 O ATOM 350 CB ILE A 25 -1.379 0.748 2.800 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.996 2.153 2.576 1.00 0.00 C ATOM 352 CG2 ILE A 25 -1.522 -0.136 1.539 1.00 0.00 C ATOM 353 CD1 ILE A 25 -3.210 2.193 1.646 1.00 0.00 C ATOM 0 H ILE A 25 -0.375 0.704 5.308 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.035 0.199 4.021 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.308 0.864 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.286 2.563 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.226 2.809 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.101 0.386 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.989 -1.075 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.577 -0.343 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.566 3.219 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.927 1.819 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.004 1.569 2.057 1.00 0.00 H new ATOM 365 N THR A 26 -2.624 -2.262 3.887 1.00 0.00 N ATOM 366 CA THR A 26 -2.508 -3.715 3.866 1.00 0.00 C ATOM 367 C THR A 26 -2.798 -4.162 2.419 1.00 0.00 C ATOM 368 O THR A 26 -3.773 -3.690 1.840 1.00 0.00 O ATOM 369 CB THR A 26 -3.534 -4.266 4.878 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.260 -3.801 6.188 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.540 -5.791 4.977 1.00 0.00 C ATOM 0 H THR A 26 -3.562 -1.941 3.648 1.00 0.00 H new ATOM 0 HA THR A 26 -1.522 -4.085 4.149 1.00 0.00 H new ATOM 0 HB THR A 26 -4.495 -3.914 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.925 -4.163 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.286 -6.105 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.783 -6.218 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.556 -6.139 5.291 1.00 0.00 H new ATOM 379 N VAL A 27 -1.991 -5.043 1.813 1.00 0.00 N ATOM 380 CA VAL A 27 -2.072 -5.459 0.409 1.00 0.00 C ATOM 381 C VAL A 27 -1.997 -6.994 0.331 1.00 0.00 C ATOM 382 O VAL A 27 -1.018 -7.587 0.797 1.00 0.00 O ATOM 383 CB VAL A 27 -0.930 -4.818 -0.423 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.263 -4.748 -1.917 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.517 -3.410 0.037 1.00 0.00 C ATOM 0 H VAL A 27 -1.230 -5.505 2.311 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.020 -5.120 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.090 -5.491 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.432 -4.291 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.433 -5.754 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.162 -4.148 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.286 -3.040 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.373 -2.739 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.171 -3.452 1.070 1.00 0.00 H new ATOM 395 N GLN A 28 -2.999 -7.654 -0.255 1.00 0.00 N ATOM 396 CA GLN A 28 -2.942 -9.083 -0.573 1.00 0.00 C ATOM 397 C GLN A 28 -2.119 -9.270 -1.863 1.00 0.00 C ATOM 398 O GLN A 28 -1.839 -8.284 -2.544 1.00 0.00 O ATOM 399 CB GLN A 28 -4.370 -9.675 -0.693 1.00 0.00 C ATOM 400 CG GLN A 28 -5.411 -9.176 0.330 1.00 0.00 C ATOM 401 CD GLN A 28 -5.913 -7.758 0.055 1.00 0.00 C ATOM 402 OE1 GLN A 28 -5.855 -7.274 -1.068 1.00 0.00 O ATOM 403 NE2 GLN A 28 -6.360 -7.017 1.053 1.00 0.00 N ATOM 0 H GLN A 28 -3.877 -7.210 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.450 -9.628 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.745 -9.460 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.298 -10.759 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.261 -9.859 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.972 -9.210 1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.414 -7.407 1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.651 -6.054 0.883 1.00 0.00 H new ATOM 412 N PRO A 29 -1.671 -10.491 -2.194 1.00 0.00 N ATOM 413 CA PRO A 29 -0.952 -10.764 -3.435 1.00 0.00 C ATOM 414 C PRO A 29 -1.893 -10.791 -4.649 1.00 0.00 C ATOM 415 O PRO A 29 -3.111 -10.872 -4.502 1.00 0.00 O ATOM 416 CB PRO A 29 -0.284 -12.125 -3.215 1.00 0.00 C ATOM 417 CG PRO A 29 -1.155 -12.812 -2.169 1.00 0.00 C ATOM 418 CD PRO A 29 -1.658 -11.654 -1.327 1.00 0.00 C ATOM 0 HA PRO A 29 -0.225 -9.983 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.244 -12.702 -4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.742 -12.012 -2.865 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.976 -13.364 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.584 -13.525 -1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.656 -11.860 -0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.010 -11.489 -0.466 1.00 0.00 H new ATOM 426 N ASN A 30 -1.310 -10.800 -5.854 1.00 0.00 N ATOM 427 CA ASN A 30 -1.965 -11.025 -7.152 1.00 0.00 C ATOM 428 C ASN A 30 -3.211 -10.163 -7.379 1.00 0.00 C ATOM 429 O ASN A 30 -4.178 -10.608 -8.013 1.00 0.00 O ATOM 430 CB ASN A 30 -2.250 -12.522 -7.375 1.00 0.00 C ATOM 431 CG ASN A 30 -0.999 -13.387 -7.368 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.099 -12.935 -7.678 1.00 0.00 O ATOM 433 ND2 ASN A 30 -1.149 -14.652 -7.023 1.00 0.00 N ATOM 0 H ASN A 30 -0.308 -10.641 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.254 -10.695 -7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.929 -12.874 -6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.763 -12.648 -8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.342 -15.276 -7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.072 -15.005 -6.769 1.00 0.00 H new ATOM 440 N ILE A 31 -3.205 -8.929 -6.865 1.00 0.00 N ATOM 441 CA ILE A 31 -4.384 -8.070 -6.840 1.00 0.00 C ATOM 442 C ILE A 31 -4.068 -6.603 -7.195 1.00 0.00 C ATOM 443 O ILE A 31 -4.794 -5.689 -6.798 1.00 0.00 O ATOM 444 CB ILE A 31 -5.171 -8.345 -5.543 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.607 -7.809 -5.659 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.434 -7.825 -4.306 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.603 -8.649 -4.859 1.00 0.00 C ATOM 0 H ILE A 31 -2.376 -8.500 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.069 -8.321 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.243 -9.424 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.638 -6.778 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.905 -7.796 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.023 -8.039 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.464 -8.316 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.289 -6.748 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.604 -8.232 -4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.594 -9.674 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.323 -8.640 -3.806 1.00 0.00 H new ATOM 459 N GLY A 32 -3.014 -6.376 -7.989 1.00 0.00 N ATOM 460 CA GLY A 32 -2.902 -5.211 -8.866 1.00 0.00 C ATOM 461 C GLY A 32 -1.504 -4.618 -8.922 1.00 0.00 C ATOM 462 O GLY A 32 -0.663 -4.874 -8.056 1.00 0.00 O ATOM 0 H GLY A 32 -2.211 -7.002 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.207 -5.495 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.599 -4.444 -8.527 1.00 0.00 H new ATOM 466 N LEU A 33 -1.256 -3.804 -9.954 1.00 0.00 N ATOM 467 CA LEU A 33 0.038 -3.185 -10.207 1.00 0.00 C ATOM 468 C LEU A 33 0.198 -1.956 -9.320 1.00 0.00 C ATOM 469 O LEU A 33 -0.599 -1.021 -9.403 1.00 0.00 O ATOM 470 CB LEU A 33 0.170 -2.811 -11.693 1.00 0.00 C ATOM 471 CG LEU A 33 1.501 -2.110 -12.045 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.726 -2.956 -11.666 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.532 -1.835 -13.551 1.00 0.00 C ATOM 0 H LEU A 33 -1.964 -3.556 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 33 0.830 -3.894 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.076 -3.715 -12.295 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.658 -2.157 -11.968 1.00 0.00 H new ATOM 0 HG LEU A 33 1.550 -1.183 -11.473 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.636 -2.419 -11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.719 -3.146 -10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.693 -3.904 -12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.468 -1.340 -13.811 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.456 -2.777 -14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.694 -1.192 -13.821 1.00 0.00 H new ATOM 485 N LEU A 34 1.240 -1.958 -8.488 1.00 0.00 N ATOM 486 CA LEU A 34 1.639 -0.813 -7.686 1.00 0.00 C ATOM 487 C LEU A 34 2.406 0.162 -8.581 1.00 0.00 C ATOM 488 O LEU A 34 3.636 0.096 -8.641 1.00 0.00 O ATOM 489 CB LEU A 34 2.462 -1.292 -6.472 1.00 0.00 C ATOM 490 CG LEU A 34 1.602 -2.041 -5.431 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.240 -3.327 -4.888 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.264 -1.144 -4.241 1.00 0.00 C ATOM 0 H LEU A 34 1.838 -2.773 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 34 0.772 -0.287 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.262 -1.947 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.935 -0.433 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 34 0.703 -2.321 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.569 -3.788 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.418 -4.020 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.187 -3.087 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.658 -1.701 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.185 -0.817 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.707 -0.273 -4.588 1.00 0.00 H new ATOM 504 N TYR A 35 1.692 1.013 -9.322 1.00 0.00 N ATOM 505 CA TYR A 35 2.299 2.010 -10.206 1.00 0.00 C ATOM 506 C TYR A 35 3.000 3.115 -9.407 1.00 0.00 C ATOM 507 O TYR A 35 2.857 3.222 -8.187 1.00 0.00 O ATOM 508 CB TYR A 35 1.263 2.569 -11.197 1.00 0.00 C ATOM 509 CG TYR A 35 0.025 3.226 -10.609 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.071 4.548 -10.123 1.00 0.00 C ATOM 511 CD2 TYR A 35 -1.205 2.543 -10.632 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.095 5.185 -9.658 1.00 0.00 C ATOM 513 CE2 TYR A 35 -2.378 3.183 -10.194 1.00 0.00 C ATOM 514 CZ TYR A 35 -2.331 4.503 -9.697 1.00 0.00 C ATOM 515 OH TYR A 35 -3.476 5.091 -9.243 1.00 0.00 O ATOM 0 H TYR A 35 0.672 1.030 -9.325 1.00 0.00 H new ATOM 0 HA TYR A 35 3.072 1.516 -10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.763 3.299 -11.833 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.938 1.753 -11.843 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.012 5.078 -10.107 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.248 1.524 -10.987 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.044 6.193 -9.272 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.322 2.660 -10.238 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.179 5.003 -9.920 1.00 0.00 H new ATOM 525 N ASP A 36 3.807 3.921 -10.096 1.00 0.00 N ATOM 526 CA ASP A 36 4.572 5.019 -9.523 1.00 0.00 C ATOM 527 C ASP A 36 3.638 6.159 -9.129 1.00 0.00 C ATOM 528 O ASP A 36 2.832 6.658 -9.922 1.00 0.00 O ATOM 529 CB ASP A 36 5.671 5.500 -10.479 1.00 0.00 C ATOM 530 CG ASP A 36 5.120 5.970 -11.820 1.00 0.00 C ATOM 531 OD1 ASP A 36 4.744 5.089 -12.631 1.00 0.00 O ATOM 532 OD2 ASP A 36 5.126 7.193 -12.097 1.00 0.00 O ATOM 0 H ASP A 36 3.948 3.821 -11.101 1.00 0.00 H new ATOM 0 HA ASP A 36 5.071 4.656 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.222 6.316 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.381 4.690 -10.646 1.00 0.00 H new ATOM 537 N GLY A 37 3.727 6.551 -7.860 1.00 0.00 N ATOM 538 CA GLY A 37 2.871 7.566 -7.282 1.00 0.00 C ATOM 539 C GLY A 37 1.450 7.046 -7.059 1.00 0.00 C ATOM 540 O GLY A 37 0.513 7.846 -7.066 1.00 0.00 O ATOM 0 H GLY A 37 4.405 6.164 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.290 7.898 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.842 8.435 -7.939 1.00 0.00 H new ATOM 544 N MET A 38 1.260 5.738 -6.833 1.00 0.00 N ATOM 545 CA MET A 38 0.031 5.216 -6.233 1.00 0.00 C ATOM 546 C MET A 38 -0.248 5.923 -4.904 1.00 0.00 C ATOM 547 O MET A 38 -1.409 6.163 -4.575 1.00 0.00 O ATOM 548 CB MET A 38 0.120 3.694 -5.989 1.00 0.00 C ATOM 549 CG MET A 38 -0.829 2.909 -6.900 1.00 0.00 C ATOM 550 SD MET A 38 -1.156 1.191 -6.406 1.00 0.00 S ATOM 551 CE MET A 38 -2.155 1.448 -4.919 1.00 0.00 C ATOM 0 H MET A 38 1.949 5.021 -7.060 1.00 0.00 H new ATOM 0 HA MET A 38 -0.782 5.406 -6.934 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.144 3.359 -6.158 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.118 3.480 -4.947 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.779 3.441 -6.948 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.415 2.905 -7.908 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.581 1.154 -4.040 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.426 2.501 -4.840 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.060 0.844 -4.980 1.00 0.00 H new ATOM 561 N PHE A 39 0.806 6.265 -4.158 1.00 0.00 N ATOM 562 CA PHE A 39 0.763 6.827 -2.812 1.00 0.00 C ATOM 563 C PHE A 39 1.182 8.305 -2.797 1.00 0.00 C ATOM 564 O PHE A 39 1.619 8.826 -1.768 1.00 0.00 O ATOM 565 CB PHE A 39 1.628 5.948 -1.890 1.00 0.00 C ATOM 566 CG PHE A 39 1.255 4.473 -1.927 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.056 4.076 -1.594 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.181 3.505 -2.365 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.441 2.731 -1.720 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.798 2.159 -2.487 1.00 0.00 C ATOM 571 CZ PHE A 39 0.484 1.772 -2.171 1.00 0.00 C ATOM 0 H PHE A 39 1.761 6.150 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.261 6.820 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.674 6.057 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.538 6.311 -0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.767 4.808 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.191 3.800 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.449 2.433 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.512 1.422 -2.823 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.185 0.739 -2.274 1.00 0.00 H new ATOM 581 N SER A 40 1.083 8.991 -3.938 1.00 0.00 N ATOM 582 CA SER A 40 1.444 10.396 -4.040 1.00 0.00 C ATOM 583 C SER A 40 0.476 11.254 -3.232 1.00 0.00 C ATOM 584 O SER A 40 -0.737 11.239 -3.459 1.00 0.00 O ATOM 585 CB SER A 40 1.555 10.827 -5.507 1.00 0.00 C ATOM 586 OG SER A 40 2.886 11.220 -5.773 1.00 0.00 O ATOM 0 H SER A 40 0.750 8.584 -4.812 1.00 0.00 H new ATOM 0 HA SER A 40 2.432 10.545 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.267 10.006 -6.163 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.872 11.652 -5.710 1.00 0.00 H new ATOM 0 HG SER A 40 2.965 11.495 -6.710 1.00 0.00 H new ATOM 592 N GLY A 41 1.022 11.995 -2.271 1.00 0.00 N ATOM 593 CA GLY A 41 0.265 12.960 -1.490 1.00 0.00 C ATOM 594 C GLY A 41 -0.403 12.341 -0.264 1.00 0.00 C ATOM 595 O GLY A 41 -1.252 13.003 0.338 1.00 0.00 O ATOM 0 H GLY A 41 2.007 11.940 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.930 13.762 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.498 13.413 -2.123 1.00 0.00 H new ATOM 599 N CYS A 42 -0.074 11.098 0.108 1.00 0.00 N ATOM 600 CA CYS A 42 -0.508 10.488 1.360 1.00 0.00 C ATOM 601 C CYS A 42 0.275 11.133 2.513 1.00 0.00 C ATOM 602 O CYS A 42 1.373 10.693 2.857 1.00 0.00 O ATOM 603 CB CYS A 42 -0.299 8.970 1.312 1.00 0.00 C ATOM 604 SG CYS A 42 -1.107 8.223 -0.132 1.00 0.00 S ATOM 0 H CYS A 42 0.508 10.485 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.573 10.660 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.768 8.751 1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.694 8.520 2.223 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.900 6.940 -0.130 1.00 0.00 H new ATOM 610 N THR A 43 -0.277 12.197 3.086 1.00 0.00 N ATOM 611 CA THR A 43 0.369 13.137 3.994 1.00 0.00 C ATOM 612 C THR A 43 0.419 12.654 5.445 1.00 0.00 C ATOM 613 O THR A 43 1.021 13.335 6.279 1.00 0.00 O ATOM 614 CB THR A 43 -0.343 14.501 3.872 1.00 0.00 C ATOM 615 OG1 THR A 43 -1.729 14.347 3.613 1.00 0.00 O ATOM 616 CG2 THR A 43 0.242 15.314 2.717 1.00 0.00 C ATOM 0 H THR A 43 -1.253 12.442 2.917 1.00 0.00 H new ATOM 0 HA THR A 43 1.414 13.229 3.699 1.00 0.00 H new ATOM 0 HB THR A 43 -0.195 15.011 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.149 15.230 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.274 16.272 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.304 15.486 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.114 14.765 1.784 1.00 0.00 H new ATOM 624 N ALA A 44 -0.173 11.501 5.764 1.00 0.00 N ATOM 625 CA ALA A 44 0.133 10.759 6.975 1.00 0.00 C ATOM 626 C ALA A 44 0.076 9.273 6.632 1.00 0.00 C ATOM 627 O ALA A 44 -0.870 8.595 7.030 1.00 0.00 O ATOM 628 CB ALA A 44 -0.840 11.146 8.101 1.00 0.00 C ATOM 0 H ALA A 44 -0.883 11.058 5.180 1.00 0.00 H new ATOM 0 HA ALA A 44 1.130 10.998 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.598 10.582 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.752 12.213 8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.861 10.918 7.794 1.00 0.00 H new ATOM 634 N LEU A 45 1.012 8.780 5.816 1.00 0.00 N ATOM 635 CA LEU A 45 1.165 7.354 5.483 1.00 0.00 C ATOM 636 C LEU A 45 2.553 6.872 5.884 1.00 0.00 C ATOM 637 O LEU A 45 3.534 7.236 5.238 1.00 0.00 O ATOM 638 CB LEU A 45 0.906 7.104 3.992 1.00 0.00 C ATOM 639 CG LEU A 45 1.263 5.686 3.495 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.430 4.574 4.142 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.063 5.650 1.978 1.00 0.00 C ATOM 0 H LEU A 45 1.703 9.373 5.356 1.00 0.00 H new ATOM 0 HA LEU A 45 0.423 6.786 6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.148 7.290 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.477 7.830 3.413 1.00 0.00 H new ATOM 0 HG LEU A 45 2.298 5.493 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.739 3.608 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.583 4.586 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.626 4.736 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.309 4.657 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.024 5.880 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.713 6.388 1.508 1.00 0.00 H new ATOM 653 N GLU A 46 2.647 6.030 6.917 1.00 0.00 N ATOM 654 CA GLU A 46 3.929 5.559 7.442 1.00 0.00 C ATOM 655 C GLU A 46 3.886 4.069 7.824 1.00 0.00 C ATOM 656 O GLU A 46 4.550 3.665 8.779 1.00 0.00 O ATOM 657 CB GLU A 46 4.401 6.420 8.630 1.00 0.00 C ATOM 658 CG GLU A 46 4.383 7.944 8.382 1.00 0.00 C ATOM 659 CD GLU A 46 5.218 8.719 9.410 1.00 0.00 C ATOM 660 OE1 GLU A 46 5.042 8.473 10.630 1.00 0.00 O ATOM 661 OE2 GLU A 46 6.064 9.546 9.009 1.00 0.00 O ATOM 0 H GLU A 46 1.837 5.657 7.412 1.00 0.00 H new ATOM 0 HA GLU A 46 4.657 5.666 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.770 6.200 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.416 6.122 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.763 8.150 7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.354 8.301 8.412 1.00 0.00 H new ATOM 668 N LYS A 47 3.087 3.224 7.163 1.00 0.00 N ATOM 669 CA LYS A 47 3.162 1.768 7.312 1.00 0.00 C ATOM 670 C LYS A 47 2.578 1.085 6.088 1.00 0.00 C ATOM 671 O LYS A 47 1.587 1.549 5.522 1.00 0.00 O ATOM 672 CB LYS A 47 2.400 1.265 8.561 1.00 0.00 C ATOM 673 CG LYS A 47 3.309 1.016 9.778 1.00 0.00 C ATOM 674 CD LYS A 47 2.999 -0.354 10.407 1.00 0.00 C ATOM 675 CE LYS A 47 4.079 -0.762 11.408 1.00 0.00 C ATOM 676 NZ LYS A 47 3.832 -2.100 11.981 1.00 0.00 N ATOM 0 H LYS A 47 2.368 3.532 6.508 1.00 0.00 H new ATOM 0 HA LYS A 47 4.217 1.520 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.638 1.996 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.880 0.340 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.355 1.055 9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.163 1.804 10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.032 -0.316 10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.923 -1.108 9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.051 -0.754 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.123 -0.027 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.427 -2.232 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.830 -2.184 12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.064 -2.828 11.276 1.00 0.00 H new ATOM 690 N LEU A 48 3.140 -0.075 5.762 1.00 0.00 N ATOM 691 CA LEU A 48 2.672 -0.998 4.745 1.00 0.00 C ATOM 692 C LEU A 48 2.714 -2.390 5.350 1.00 0.00 C ATOM 693 O LEU A 48 3.583 -2.676 6.172 1.00 0.00 O ATOM 694 CB LEU A 48 3.626 -0.911 3.550 1.00 0.00 C ATOM 695 CG LEU A 48 3.162 -1.436 2.189 1.00 0.00 C ATOM 696 CD1 LEU A 48 3.267 -2.950 2.024 1.00 0.00 C ATOM 697 CD2 LEU A 48 1.772 -0.959 1.804 1.00 0.00 C ATOM 0 H LEU A 48 3.982 -0.411 6.230 1.00 0.00 H new ATOM 0 HA LEU A 48 1.660 -0.765 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.899 0.137 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.537 -1.448 3.816 1.00 0.00 H new ATOM 0 HG LEU A 48 3.877 -0.995 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.917 -3.233 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.306 -3.258 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.653 -3.442 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.504 -1.367 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.052 -1.297 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.761 0.130 1.757 1.00 0.00 H new ATOM 709 N ILE A 49 1.832 -3.275 4.913 1.00 0.00 N ATOM 710 CA ILE A 49 1.731 -4.664 5.340 1.00 0.00 C ATOM 711 C ILE A 49 1.489 -5.473 4.073 1.00 0.00 C ATOM 712 O ILE A 49 0.709 -5.025 3.227 1.00 0.00 O ATOM 713 CB ILE A 49 0.573 -4.833 6.366 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.797 -3.992 7.644 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.416 -6.305 6.799 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.038 -2.662 7.712 1.00 0.00 C ATOM 0 H ILE A 49 1.130 -3.032 4.214 1.00 0.00 H new ATOM 0 HA ILE A 49 2.635 -5.004 5.845 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.326 -4.488 5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.513 -4.595 8.507 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.863 -3.785 7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.401 -6.388 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.197 -6.920 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.341 -6.649 7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.270 -2.158 8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.337 -2.029 6.876 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.034 -2.852 7.658 1.00 0.00 H new ATOM 728 N LEU A 50 2.012 -6.698 3.969 1.00 0.00 N ATOM 729 CA LEU A 50 1.760 -7.606 2.841 1.00 0.00 C ATOM 730 C LEU A 50 1.306 -8.987 3.315 1.00 0.00 C ATOM 731 O LEU A 50 2.112 -9.751 3.837 1.00 0.00 O ATOM 732 CB LEU A 50 3.026 -7.775 1.975 1.00 0.00 C ATOM 733 CG LEU A 50 3.580 -6.509 1.302 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.782 -6.859 0.419 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.529 -5.842 0.418 1.00 0.00 C ATOM 0 H LEU A 50 2.632 -7.095 4.675 1.00 0.00 H new ATOM 0 HA LEU A 50 0.964 -7.154 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.812 -8.198 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.810 -8.507 1.196 1.00 0.00 H new ATOM 0 HG LEU A 50 3.873 -5.826 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.164 -5.953 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.564 -7.308 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.474 -7.566 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.954 -4.950 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.214 -6.537 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.668 -5.562 1.025 1.00 0.00 H new ATOM 747 N THR A 51 0.031 -9.328 3.118 1.00 0.00 N ATOM 748 CA THR A 51 -0.561 -10.612 3.485 1.00 0.00 C ATOM 749 C THR A 51 -0.503 -11.568 2.280 1.00 0.00 C ATOM 750 O THR A 51 -1.514 -12.087 1.788 1.00 0.00 O ATOM 751 CB THR A 51 -1.908 -10.386 4.203 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.544 -11.585 4.601 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.897 -9.577 3.369 1.00 0.00 C ATOM 0 H THR A 51 -0.640 -8.694 2.683 1.00 0.00 H new ATOM 0 HA THR A 51 0.011 -11.150 4.241 1.00 0.00 H new ATOM 0 HB THR A 51 -1.634 -9.820 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.389 -11.374 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.825 -9.451 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.471 -8.598 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.102 -10.103 2.437 1.00 0.00 H new ATOM 761 N GLY A 52 0.718 -11.783 1.798 1.00 0.00 N ATOM 762 CA GLY A 52 1.136 -12.817 0.867 1.00 0.00 C ATOM 763 C GLY A 52 2.413 -13.454 1.413 1.00 0.00 C ATOM 764 O GLY A 52 2.933 -13.024 2.444 1.00 0.00 O ATOM 0 H GLY A 52 1.500 -11.189 2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.354 -13.568 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.314 -12.392 -0.121 1.00 0.00 H new ATOM 768 N GLU A 53 2.909 -14.494 0.744 1.00 0.00 N ATOM 769 CA GLU A 53 3.932 -15.389 1.282 1.00 0.00 C ATOM 770 C GLU A 53 5.073 -15.629 0.277 1.00 0.00 C ATOM 771 O GLU A 53 5.967 -16.422 0.565 1.00 0.00 O ATOM 772 CB GLU A 53 3.263 -16.696 1.772 1.00 0.00 C ATOM 773 CG GLU A 53 2.497 -16.508 3.094 1.00 0.00 C ATOM 774 CD GLU A 53 1.669 -17.745 3.463 1.00 0.00 C ATOM 775 OE1 GLU A 53 0.609 -17.973 2.832 1.00 0.00 O ATOM 776 OE2 GLU A 53 2.013 -18.472 4.422 1.00 0.00 O ATOM 0 H GLU A 53 2.608 -14.742 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 53 4.408 -14.916 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.576 -17.058 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.026 -17.463 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.205 -16.294 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.839 -15.643 3.011 1.00 0.00 H new ATOM 783 N ASP A 54 5.101 -14.939 -0.872 1.00 0.00 N ATOM 784 CA ASP A 54 6.182 -15.051 -1.859 1.00 0.00 C ATOM 785 C ASP A 54 6.394 -13.703 -2.559 1.00 0.00 C ATOM 786 O ASP A 54 5.411 -13.009 -2.827 1.00 0.00 O ATOM 787 CB ASP A 54 5.776 -16.112 -2.890 1.00 0.00 C ATOM 788 CG ASP A 54 6.919 -16.550 -3.805 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.224 -15.833 -4.787 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.467 -17.652 -3.596 1.00 0.00 O ATOM 0 H ASP A 54 4.369 -14.283 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 54 7.112 -15.335 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.387 -16.985 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.963 -15.719 -3.501 1.00 0.00 H new ATOM 795 N PRO A 55 7.636 -13.323 -2.902 1.00 0.00 N ATOM 796 CA PRO A 55 7.935 -12.013 -3.478 1.00 0.00 C ATOM 797 C PRO A 55 7.418 -11.850 -4.906 1.00 0.00 C ATOM 798 O PRO A 55 7.110 -10.725 -5.312 1.00 0.00 O ATOM 799 CB PRO A 55 9.460 -11.874 -3.439 1.00 0.00 C ATOM 800 CG PRO A 55 9.972 -13.307 -3.317 1.00 0.00 C ATOM 801 CD PRO A 55 8.863 -14.023 -2.567 1.00 0.00 C ATOM 0 HA PRO A 55 7.431 -11.235 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.838 -11.393 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.781 -11.264 -2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.147 -13.754 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.916 -13.350 -2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.807 -15.071 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.043 -14.003 -1.492 1.00 0.00 H new ATOM 809 N SER A 56 7.340 -12.938 -5.677 1.00 0.00 N ATOM 810 CA SER A 56 6.888 -12.857 -7.061 1.00 0.00 C ATOM 811 C SER A 56 5.374 -12.643 -7.151 1.00 0.00 C ATOM 812 O SER A 56 4.899 -12.168 -8.178 1.00 0.00 O ATOM 813 CB SER A 56 7.302 -14.115 -7.824 1.00 0.00 C ATOM 814 OG SER A 56 8.702 -14.331 -7.736 1.00 0.00 O ATOM 0 H SER A 56 7.583 -13.878 -5.365 1.00 0.00 H new ATOM 0 HA SER A 56 7.366 -11.991 -7.519 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.772 -14.978 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.011 -14.021 -8.870 1.00 0.00 H new ATOM 0 HG SER A 56 8.940 -15.143 -8.231 1.00 0.00 H new ATOM 820 N ALA A 57 4.622 -12.924 -6.077 1.00 0.00 N ATOM 821 CA ALA A 57 3.171 -12.763 -5.994 1.00 0.00 C ATOM 822 C ALA A 57 2.706 -11.295 -5.913 1.00 0.00 C ATOM 823 O ALA A 57 1.576 -11.019 -5.499 1.00 0.00 O ATOM 824 CB ALA A 57 2.683 -13.534 -4.770 1.00 0.00 C ATOM 0 H ALA A 57 5.027 -13.283 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 57 2.742 -13.153 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.601 -13.431 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.940 -14.588 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.159 -13.134 -3.875 1.00 0.00 H new ATOM 830 N TYR A 58 3.585 -10.349 -6.231 1.00 0.00 N ATOM 831 CA TYR A 58 3.360 -8.918 -6.205 1.00 0.00 C ATOM 832 C TYR A 58 4.035 -8.309 -7.435 1.00 0.00 C ATOM 833 O TYR A 58 4.845 -8.969 -8.099 1.00 0.00 O ATOM 834 CB TYR A 58 3.951 -8.349 -4.904 1.00 0.00 C ATOM 835 CG TYR A 58 3.120 -8.626 -3.665 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.009 -7.809 -3.374 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.447 -9.690 -2.801 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.241 -8.041 -2.222 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.671 -9.934 -1.653 1.00 0.00 C ATOM 840 CZ TYR A 58 1.559 -9.112 -1.359 1.00 0.00 C ATOM 841 OH TYR A 58 0.820 -9.348 -0.240 1.00 0.00 O ATOM 0 H TYR A 58 4.531 -10.582 -6.532 1.00 0.00 H new ATOM 0 HA TYR A 58 2.297 -8.680 -6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.948 -8.766 -4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.069 -7.271 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.747 -7.001 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.296 -10.320 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.404 -7.398 -1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.926 -10.751 -0.995 1.00 0.00 H new ATOM 0 HH TYR A 58 0.225 -8.587 -0.074 1.00 0.00 H new ATOM 851 N SER A 59 3.770 -7.027 -7.699 1.00 0.00 N ATOM 852 CA SER A 59 4.468 -6.233 -8.696 1.00 0.00 C ATOM 853 C SER A 59 4.734 -4.847 -8.110 1.00 0.00 C ATOM 854 O SER A 59 4.058 -4.448 -7.164 1.00 0.00 O ATOM 855 CB SER A 59 3.607 -6.073 -9.955 1.00 0.00 C ATOM 856 OG SER A 59 3.075 -7.289 -10.445 1.00 0.00 O ATOM 0 H SER A 59 3.044 -6.505 -7.209 1.00 0.00 H new ATOM 0 HA SER A 59 5.400 -6.732 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.786 -5.390 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.208 -5.609 -10.737 1.00 0.00 H new ATOM 0 HG SER A 59 2.537 -7.112 -11.245 1.00 0.00 H new ATOM 862 N ALA A 60 5.611 -4.075 -8.741 1.00 0.00 N ATOM 863 CA ALA A 60 5.752 -2.637 -8.583 1.00 0.00 C ATOM 864 C ALA A 60 6.228 -2.084 -9.932 1.00 0.00 C ATOM 865 O ALA A 60 6.717 -2.843 -10.782 1.00 0.00 O ATOM 866 CB ALA A 60 6.764 -2.330 -7.479 1.00 0.00 C ATOM 0 H ALA A 60 6.277 -4.458 -9.412 1.00 0.00 H new ATOM 0 HA ALA A 60 4.807 -2.175 -8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.864 -1.250 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.420 -2.762 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.731 -2.758 -7.742 1.00 0.00 H new ATOM 872 N GLY A 61 6.098 -0.778 -10.113 1.00 0.00 N ATOM 873 CA GLY A 61 6.760 -0.022 -11.154 1.00 0.00 C ATOM 874 C GLY A 61 8.122 0.430 -10.641 1.00 0.00 C ATOM 875 O GLY A 61 8.721 -0.208 -9.774 1.00 0.00 O ATOM 0 H GLY A 61 5.507 -0.200 -9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.877 -0.634 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.157 0.841 -11.435 1.00 0.00 H new ATOM 879 N ASP A 62 8.625 1.528 -11.199 1.00 0.00 N ATOM 880 CA ASP A 62 9.962 2.045 -10.906 1.00 0.00 C ATOM 881 C ASP A 62 10.077 2.554 -9.471 1.00 0.00 C ATOM 882 O ASP A 62 11.184 2.623 -8.931 1.00 0.00 O ATOM 883 CB ASP A 62 10.304 3.196 -11.866 1.00 0.00 C ATOM 884 CG ASP A 62 11.417 2.812 -12.834 1.00 0.00 C ATOM 885 OD1 ASP A 62 11.257 1.791 -13.544 1.00 0.00 O ATOM 886 OD2 ASP A 62 12.403 3.569 -12.947 1.00 0.00 O ATOM 0 H ASP A 62 8.111 2.092 -11.876 1.00 0.00 H new ATOM 0 HA ASP A 62 10.661 1.219 -11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.414 3.477 -12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.608 4.071 -11.291 1.00 0.00 H new ATOM 891 N GLY A 63 8.955 2.914 -8.847 1.00 0.00 N ATOM 892 CA GLY A 63 8.908 3.619 -7.584 1.00 0.00 C ATOM 893 C GLY A 63 7.675 3.181 -6.817 1.00 0.00 C ATOM 894 O GLY A 63 6.671 3.892 -6.787 1.00 0.00 O ATOM 0 H GLY A 63 8.030 2.713 -9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.806 3.410 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.882 4.695 -7.755 1.00 0.00 H new ATOM 898 N LEU A 64 7.743 1.989 -6.220 1.00 0.00 N ATOM 899 CA LEU A 64 6.670 1.368 -5.441 1.00 0.00 C ATOM 900 C LEU A 64 6.045 2.377 -4.475 1.00 0.00 C ATOM 901 O LEU A 64 4.859 2.701 -4.547 1.00 0.00 O ATOM 902 CB LEU A 64 7.268 0.169 -4.687 1.00 0.00 C ATOM 903 CG LEU A 64 6.363 -0.469 -3.619 1.00 0.00 C ATOM 904 CD1 LEU A 64 4.937 -0.763 -4.075 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.001 -1.786 -3.173 1.00 0.00 C ATOM 0 H LEU A 64 8.580 1.408 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 64 5.872 1.028 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.535 -0.597 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.193 0.490 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 64 6.282 0.263 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.377 -1.211 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.454 0.165 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.960 -1.454 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.374 -2.255 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.095 -2.453 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.989 -1.589 -2.756 1.00 0.00 H new ATOM 917 N ARG A 65 6.862 2.894 -3.563 1.00 0.00 N ATOM 918 CA ARG A 65 6.468 3.848 -2.532 1.00 0.00 C ATOM 919 C ARG A 65 6.631 5.286 -3.017 1.00 0.00 C ATOM 920 O ARG A 65 6.733 6.179 -2.177 1.00 0.00 O ATOM 921 CB ARG A 65 7.297 3.605 -1.260 1.00 0.00 C ATOM 922 CG ARG A 65 8.810 3.696 -1.537 1.00 0.00 C ATOM 923 CD ARG A 65 9.537 4.556 -0.508 1.00 0.00 C ATOM 924 NE ARG A 65 10.745 5.149 -1.086 1.00 0.00 N ATOM 925 CZ ARG A 65 10.832 6.225 -1.874 1.00 0.00 C ATOM 926 NH1 ARG A 65 9.775 6.983 -2.153 1.00 0.00 N ATOM 927 NH2 ARG A 65 12.012 6.531 -2.391 1.00 0.00 N ATOM 0 H ARG A 65 7.852 2.652 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 65 5.413 3.698 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.022 4.338 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.060 2.621 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.238 2.694 -1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.970 4.111 -2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.874 5.345 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.803 3.949 0.357 1.00 0.00 H new ATOM 0 HE ARG A 65 11.625 4.685 -0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.862 6.750 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.877 7.798 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.825 5.951 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.108 7.347 -2.996 1.00 0.00 H new ATOM 941 N ASP A 66 6.755 5.532 -4.323 1.00 0.00 N ATOM 942 CA ASP A 66 6.936 6.898 -4.796 1.00 0.00 C ATOM 943 C ASP A 66 5.776 7.759 -4.309 1.00 0.00 C ATOM 944 O ASP A 66 4.638 7.285 -4.251 1.00 0.00 O ATOM 945 CB ASP A 66 7.069 6.980 -6.315 1.00 0.00 C ATOM 946 CG ASP A 66 7.227 8.438 -6.744 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.005 9.167 -6.087 1.00 0.00 O ATOM 948 OD2 ASP A 66 6.524 8.899 -7.671 1.00 0.00 O ATOM 0 H ASP A 66 6.734 4.820 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 66 7.873 7.273 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.930 6.399 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.190 6.545 -6.790 1.00 0.00 H new ATOM 953 N GLY A 67 6.076 8.991 -3.910 1.00 0.00 N ATOM 954 CA GLY A 67 5.091 9.904 -3.366 1.00 0.00 C ATOM 955 C GLY A 67 4.895 9.754 -1.854 1.00 0.00 C ATOM 956 O GLY A 67 4.332 10.653 -1.227 1.00 0.00 O ATOM 0 H GLY A 67 7.017 9.381 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.394 10.928 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.137 9.739 -3.867 1.00 0.00 H new ATOM 960 N ALA A 68 5.450 8.716 -1.226 1.00 0.00 N ATOM 961 CA ALA A 68 5.522 8.520 0.220 1.00 0.00 C ATOM 962 C ALA A 68 6.908 7.988 0.601 1.00 0.00 C ATOM 963 O ALA A 68 7.814 7.919 -0.236 1.00 0.00 O ATOM 964 CB ALA A 68 4.398 7.569 0.648 1.00 0.00 C ATOM 0 H ALA A 68 5.884 7.950 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 68 5.384 9.466 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.442 7.415 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.434 8.002 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.518 6.612 0.140 1.00 0.00 H new ATOM 970 N ASP A 69 7.092 7.647 1.876 1.00 0.00 N ATOM 971 CA ASP A 69 8.266 6.969 2.407 1.00 0.00 C ATOM 972 C ASP A 69 7.860 6.238 3.685 1.00 0.00 C ATOM 973 O ASP A 69 7.629 6.861 4.726 1.00 0.00 O ATOM 974 CB ASP A 69 9.411 7.958 2.647 1.00 0.00 C ATOM 975 CG ASP A 69 10.684 7.205 3.028 1.00 0.00 C ATOM 976 OD1 ASP A 69 11.071 6.287 2.271 1.00 0.00 O ATOM 977 OD2 ASP A 69 11.352 7.578 4.018 1.00 0.00 O ATOM 0 H ASP A 69 6.396 7.846 2.594 1.00 0.00 H new ATOM 0 HA ASP A 69 8.639 6.243 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.585 8.550 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.140 8.655 3.440 1.00 0.00 H new ATOM 982 N PHE A 70 7.645 4.927 3.580 1.00 0.00 N ATOM 983 CA PHE A 70 7.130 4.066 4.641 1.00 0.00 C ATOM 984 C PHE A 70 7.893 2.738 4.671 1.00 0.00 C ATOM 985 O PHE A 70 8.648 2.431 3.748 1.00 0.00 O ATOM 986 CB PHE A 70 5.616 3.875 4.438 1.00 0.00 C ATOM 987 CG PHE A 70 5.208 3.360 3.071 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.543 2.051 2.684 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.515 4.194 2.171 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.186 1.586 1.414 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.138 3.713 0.901 1.00 0.00 C ATOM 992 CZ PHE A 70 4.467 2.399 0.524 1.00 0.00 C ATOM 0 H PHE A 70 7.833 4.416 2.717 1.00 0.00 H new ATOM 0 HA PHE A 70 7.284 4.532 5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.249 3.181 5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.119 4.829 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.075 1.405 3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.272 5.207 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.468 0.587 1.114 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.598 4.352 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.169 2.019 -0.442 1.00 0.00 H new ATOM 1002 N LEU A 71 7.661 1.917 5.694 1.00 0.00 N ATOM 1003 CA LEU A 71 8.262 0.594 5.867 1.00 0.00 C ATOM 1004 C LEU A 71 7.274 -0.502 5.479 1.00 0.00 C ATOM 1005 O LEU A 71 6.062 -0.334 5.617 1.00 0.00 O ATOM 1006 CB LEU A 71 8.704 0.390 7.330 1.00 0.00 C ATOM 1007 CG LEU A 71 9.811 1.330 7.850 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.235 0.955 9.274 1.00 0.00 C ATOM 1009 CD2 LEU A 71 11.049 1.242 6.971 1.00 0.00 C ATOM 0 H LEU A 71 7.026 2.163 6.453 1.00 0.00 H new ATOM 0 HA LEU A 71 9.134 0.534 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.829 0.505 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.048 -0.638 7.443 1.00 0.00 H new ATOM 0 HG LEU A 71 9.398 2.339 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.016 1.636 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.376 1.029 9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.615 -0.067 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.817 1.913 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.426 0.219 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.793 1.531 5.952 1.00 0.00 H new ATOM 1021 N ILE A 72 7.809 -1.640 5.030 1.00 0.00 N ATOM 1022 CA ILE A 72 7.086 -2.783 4.483 1.00 0.00 C ATOM 1023 C ILE A 72 7.099 -3.924 5.499 1.00 0.00 C ATOM 1024 O ILE A 72 8.105 -4.612 5.650 1.00 0.00 O ATOM 1025 CB ILE A 72 7.672 -3.199 3.117 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.781 -2.046 2.096 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.820 -4.331 2.502 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.383 -2.514 0.768 1.00 0.00 C ATOM 0 H ILE A 72 8.817 -1.794 5.041 1.00 0.00 H new ATOM 0 HA ILE A 72 6.047 -2.509 4.301 1.00 0.00 H new ATOM 0 HB ILE A 72 8.689 -3.534 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.792 -1.624 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.397 -1.249 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.239 -4.619 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.821 -5.192 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.797 -3.982 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.442 -1.672 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.383 -2.911 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.753 -3.292 0.337 1.00 0.00 H new ATOM 1040 N CYS A 73 5.980 -4.156 6.180 1.00 0.00 N ATOM 1041 CA CYS A 73 5.818 -5.336 7.037 1.00 0.00 C ATOM 1042 C CYS A 73 5.457 -6.559 6.169 1.00 0.00 C ATOM 1043 O CYS A 73 4.542 -6.463 5.346 1.00 0.00 O ATOM 1044 CB CYS A 73 4.738 -5.082 8.099 1.00 0.00 C ATOM 1045 SG CYS A 73 4.939 -3.461 8.904 1.00 0.00 S ATOM 0 H CYS A 73 5.166 -3.542 6.157 1.00 0.00 H new ATOM 0 HA CYS A 73 6.757 -5.537 7.554 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.753 -5.136 7.635 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.779 -5.868 8.853 1.00 0.00 H new ATOM 0 HG CYS A 73 4.440 -2.533 8.142 1.00 0.00 H new ATOM 1051 N VAL A 74 6.124 -7.704 6.343 1.00 0.00 N ATOM 1052 CA VAL A 74 5.855 -8.978 5.653 1.00 0.00 C ATOM 1053 C VAL A 74 5.932 -10.114 6.688 1.00 0.00 C ATOM 1054 O VAL A 74 6.542 -9.890 7.734 1.00 0.00 O ATOM 1055 CB VAL A 74 6.860 -9.198 4.495 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.888 -8.029 3.506 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.291 -9.446 4.975 1.00 0.00 C ATOM 0 H VAL A 74 6.903 -7.776 6.998 1.00 0.00 H new ATOM 0 HA VAL A 74 4.860 -8.960 5.209 1.00 0.00 H new ATOM 0 HB VAL A 74 6.492 -10.094 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.610 -8.238 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.898 -7.899 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.176 -7.117 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.943 -9.592 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.636 -8.587 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.315 -10.336 5.604 1.00 0.00 H new ATOM 1067 N PRO A 75 5.344 -11.305 6.469 1.00 0.00 N ATOM 1068 CA PRO A 75 5.349 -12.337 7.498 1.00 0.00 C ATOM 1069 C PRO A 75 6.742 -12.964 7.633 1.00 0.00 C ATOM 1070 O PRO A 75 7.531 -12.957 6.682 1.00 0.00 O ATOM 1071 CB PRO A 75 4.308 -13.363 7.050 1.00 0.00 C ATOM 1072 CG PRO A 75 4.328 -13.247 5.529 1.00 0.00 C ATOM 1073 CD PRO A 75 4.641 -11.772 5.279 1.00 0.00 C ATOM 0 HA PRO A 75 5.107 -11.935 8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.568 -14.369 7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.322 -13.139 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.084 -13.897 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.370 -13.532 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.257 -11.649 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.727 -11.201 5.116 1.00 0.00 H new ATOM 1081 N GLU A 76 7.035 -13.568 8.789 1.00 0.00 N ATOM 1082 CA GLU A 76 8.379 -14.048 9.108 1.00 0.00 C ATOM 1083 C GLU A 76 8.827 -15.205 8.207 1.00 0.00 C ATOM 1084 O GLU A 76 10.030 -15.397 8.002 1.00 0.00 O ATOM 1085 CB GLU A 76 8.525 -14.394 10.596 1.00 0.00 C ATOM 1086 CG GLU A 76 7.743 -15.633 11.040 1.00 0.00 C ATOM 1087 CD GLU A 76 7.958 -15.901 12.534 1.00 0.00 C ATOM 1088 OE1 GLU A 76 9.096 -16.200 12.967 1.00 0.00 O ATOM 1089 OE2 GLU A 76 6.995 -15.742 13.315 1.00 0.00 O ATOM 0 H GLU A 76 6.349 -13.736 9.525 1.00 0.00 H new ATOM 0 HA GLU A 76 9.055 -13.219 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.581 -14.548 10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.195 -13.540 11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.681 -15.490 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.063 -16.499 10.460 1.00 0.00 H new ATOM 1096 N GLU A 77 7.871 -15.947 7.650 1.00 0.00 N ATOM 1097 CA GLU A 77 8.088 -17.012 6.672 1.00 0.00 C ATOM 1098 C GLU A 77 8.607 -16.428 5.352 1.00 0.00 C ATOM 1099 O GLU A 77 9.549 -16.954 4.758 1.00 0.00 O ATOM 1100 CB GLU A 77 6.753 -17.753 6.434 1.00 0.00 C ATOM 1101 CG GLU A 77 6.638 -19.069 7.211 1.00 0.00 C ATOM 1102 CD GLU A 77 7.648 -20.105 6.712 1.00 0.00 C ATOM 1103 OE1 GLU A 77 7.435 -20.720 5.642 1.00 0.00 O ATOM 1104 OE2 GLU A 77 8.688 -20.305 7.378 1.00 0.00 O ATOM 0 H GLU A 77 6.885 -15.818 7.877 1.00 0.00 H new ATOM 0 HA GLU A 77 8.834 -17.709 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.928 -17.099 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.645 -17.958 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.802 -18.882 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.628 -19.466 7.109 1.00 0.00 H new ATOM 1111 N ALA A 78 8.018 -15.316 4.906 1.00 0.00 N ATOM 1112 CA ALA A 78 8.372 -14.692 3.637 1.00 0.00 C ATOM 1113 C ALA A 78 9.646 -13.853 3.767 1.00 0.00 C ATOM 1114 O ALA A 78 10.159 -13.364 2.761 1.00 0.00 O ATOM 1115 CB ALA A 78 7.218 -13.812 3.151 1.00 0.00 C ATOM 0 H ALA A 78 7.283 -14.826 5.417 1.00 0.00 H new ATOM 0 HA ALA A 78 8.559 -15.483 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.489 -13.348 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.326 -14.424 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.016 -13.036 3.889 1.00 0.00 H new ATOM 1121 N LEU A 79 10.140 -13.658 4.992 1.00 0.00 N ATOM 1122 CA LEU A 79 11.163 -12.682 5.309 1.00 0.00 C ATOM 1123 C LEU A 79 12.476 -13.003 4.593 1.00 0.00 C ATOM 1124 O LEU A 79 13.073 -12.131 3.982 1.00 0.00 O ATOM 1125 CB LEU A 79 11.334 -12.615 6.831 1.00 0.00 C ATOM 1126 CG LEU A 79 11.977 -11.298 7.301 1.00 0.00 C ATOM 1127 CD1 LEU A 79 10.929 -10.183 7.380 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.547 -11.448 8.710 1.00 0.00 C ATOM 0 H LEU A 79 9.827 -14.191 5.803 1.00 0.00 H new ATOM 0 HA LEU A 79 10.854 -11.700 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.360 -12.729 7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.949 -13.452 7.160 1.00 0.00 H new ATOM 0 HG LEU A 79 12.760 -11.055 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.404 -9.260 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.488 -10.028 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.149 -10.466 8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.997 -10.506 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.746 -11.715 9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.305 -12.231 8.714 1.00 0.00 H new ATOM 1140 N ASP A 80 12.940 -14.250 4.618 1.00 0.00 N ATOM 1141 CA ASP A 80 14.158 -14.617 3.890 1.00 0.00 C ATOM 1142 C ASP A 80 13.875 -14.718 2.387 1.00 0.00 C ATOM 1143 O ASP A 80 14.736 -14.408 1.565 1.00 0.00 O ATOM 1144 CB ASP A 80 14.698 -15.939 4.461 1.00 0.00 C ATOM 1145 CG ASP A 80 16.184 -15.833 4.780 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.022 -15.860 3.856 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.514 -15.663 5.975 1.00 0.00 O ATOM 0 H ASP A 80 12.500 -15.017 5.127 1.00 0.00 H new ATOM 0 HA ASP A 80 14.917 -13.846 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.147 -16.200 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.533 -16.743 3.743 1.00 0.00 H new ATOM 1152 N ARG A 81 12.638 -15.081 2.025 1.00 0.00 N ATOM 1153 CA ARG A 81 12.157 -15.210 0.652 1.00 0.00 C ATOM 1154 C ARG A 81 12.319 -13.891 -0.097 1.00 0.00 C ATOM 1155 O ARG A 81 13.009 -13.865 -1.114 1.00 0.00 O ATOM 1156 CB ARG A 81 10.694 -15.710 0.653 1.00 0.00 C ATOM 1157 CG ARG A 81 10.507 -16.991 -0.164 1.00 0.00 C ATOM 1158 CD ARG A 81 9.036 -17.436 -0.151 1.00 0.00 C ATOM 1159 NE ARG A 81 8.914 -18.890 -0.331 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.987 -19.804 0.647 1.00 0.00 C ATOM 1161 NH1 ARG A 81 9.027 -19.450 1.927 1.00 0.00 N ATOM 1162 NH2 ARG A 81 9.034 -21.090 0.339 1.00 0.00 N ATOM 0 H ARG A 81 11.918 -15.301 2.713 1.00 0.00 H new ATOM 0 HA ARG A 81 12.757 -15.950 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.376 -15.889 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.047 -14.930 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.832 -16.824 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.135 -17.783 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.574 -17.145 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.492 -16.923 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 81 8.761 -19.232 -1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.002 -18.463 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.082 -20.165 2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.015 -21.381 -0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.090 -21.790 1.079 1.00 0.00 H new ATOM 1176 N TYR A 82 11.704 -12.798 0.375 1.00 0.00 N ATOM 1177 CA TYR A 82 11.806 -11.520 -0.319 1.00 0.00 C ATOM 1178 C TYR A 82 13.265 -11.066 -0.385 1.00 0.00 C ATOM 1179 O TYR A 82 13.696 -10.517 -1.398 1.00 0.00 O ATOM 1180 CB TYR A 82 10.901 -10.444 0.316 1.00 0.00 C ATOM 1181 CG TYR A 82 11.541 -9.683 1.458 1.00 0.00 C ATOM 1182 CD1 TYR A 82 12.509 -8.702 1.179 1.00 0.00 C ATOM 1183 CD2 TYR A 82 11.266 -10.027 2.791 1.00 0.00 C ATOM 1184 CE1 TYR A 82 13.234 -8.114 2.221 1.00 0.00 C ATOM 1185 CE2 TYR A 82 11.963 -9.400 3.841 1.00 0.00 C ATOM 1186 CZ TYR A 82 12.951 -8.434 3.561 1.00 0.00 C ATOM 1187 OH TYR A 82 13.692 -7.855 4.544 1.00 0.00 O ATOM 0 H TYR A 82 11.139 -12.778 1.224 1.00 0.00 H new ATOM 0 HA TYR A 82 11.447 -11.662 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.604 -9.734 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.990 -10.920 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.693 -8.402 0.158 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.518 -10.774 3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.019 -7.407 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.740 -9.660 4.865 1.00 0.00 H new ATOM 0 HH TYR A 82 13.381 -8.171 5.418 1.00 0.00 H new ATOM 1197 N ARG A 83 14.035 -11.268 0.693 1.00 0.00 N ATOM 1198 CA ARG A 83 15.403 -10.762 0.777 1.00 0.00 C ATOM 1199 C ARG A 83 16.248 -11.351 -0.341 1.00 0.00 C ATOM 1200 O ARG A 83 17.090 -10.663 -0.920 1.00 0.00 O ATOM 1201 CB ARG A 83 16.000 -11.168 2.135 1.00 0.00 C ATOM 1202 CG ARG A 83 15.479 -10.216 3.202 1.00 0.00 C ATOM 1203 CD ARG A 83 15.973 -10.439 4.629 1.00 0.00 C ATOM 1204 NE ARG A 83 16.552 -11.770 4.904 1.00 0.00 N ATOM 1205 CZ ARG A 83 17.266 -12.058 5.998 1.00 0.00 C ATOM 1206 NH1 ARG A 83 17.430 -11.151 6.953 1.00 0.00 N ATOM 1207 NH2 ARG A 83 17.830 -13.242 6.172 1.00 0.00 N ATOM 0 H ARG A 83 13.728 -11.781 1.520 1.00 0.00 H new ATOM 0 HA ARG A 83 15.395 -9.676 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.724 -12.194 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.089 -11.131 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.742 -9.200 2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.391 -10.275 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.724 -9.682 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.139 -10.277 5.312 1.00 0.00 H new ATOM 0 HE ARG A 83 16.399 -12.512 4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.010 -10.227 6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.976 -11.378 7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.726 -13.966 5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.369 -13.431 7.017 1.00 0.00 H new ATOM 1221 N ARG A 84 16.026 -12.632 -0.630 1.00 0.00 N ATOM 1222 CA ARG A 84 16.728 -13.399 -1.643 1.00 0.00 C ATOM 1223 C ARG A 84 16.272 -13.094 -3.070 1.00 0.00 C ATOM 1224 O ARG A 84 16.814 -13.704 -4.000 1.00 0.00 O ATOM 1225 CB ARG A 84 16.555 -14.883 -1.289 1.00 0.00 C ATOM 1226 CG ARG A 84 17.611 -15.315 -0.269 1.00 0.00 C ATOM 1227 CD ARG A 84 17.620 -16.836 -0.120 1.00 0.00 C ATOM 1228 NE ARG A 84 18.832 -17.269 0.588 1.00 0.00 N ATOM 1229 CZ ARG A 84 20.032 -17.551 0.068 1.00 0.00 C ATOM 1230 NH1 ARG A 84 20.238 -17.499 -1.248 1.00 0.00 N ATOM 1231 NH2 ARG A 84 21.026 -17.882 0.884 1.00 0.00 N ATOM 0 H ARG A 84 15.320 -13.182 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 84 17.781 -13.118 -1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.558 -15.053 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.640 -15.491 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.595 -14.969 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.405 -14.850 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.735 -17.160 0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.577 -17.305 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 84 18.749 -17.367 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.475 -17.241 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.159 -17.717 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.868 -17.918 1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.947 -18.100 0.504 1.00 0.00 H new ATOM 1245 N ASP A 85 15.316 -12.192 -3.285 1.00 0.00 N ATOM 1246 CA ASP A 85 14.751 -11.910 -4.603 1.00 0.00 C ATOM 1247 C ASP A 85 15.742 -11.156 -5.510 1.00 0.00 C ATOM 1248 O ASP A 85 16.825 -10.737 -5.072 1.00 0.00 O ATOM 1249 CB ASP A 85 13.447 -11.117 -4.428 1.00 0.00 C ATOM 1250 CG ASP A 85 12.722 -10.941 -5.757 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.608 -11.945 -6.493 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.436 -9.782 -6.120 1.00 0.00 O ATOM 0 H ASP A 85 14.907 -11.629 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 85 14.540 -12.857 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.797 -11.634 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.668 -10.139 -4.000 1.00 0.00 H new ATOM 1257 N TYR A 86 15.374 -10.978 -6.783 1.00 0.00 N ATOM 1258 CA TYR A 86 16.110 -10.221 -7.785 1.00 0.00 C ATOM 1259 C TYR A 86 15.677 -8.746 -7.861 1.00 0.00 C ATOM 1260 O TYR A 86 16.457 -7.915 -8.320 1.00 0.00 O ATOM 1261 CB TYR A 86 15.949 -10.905 -9.151 1.00 0.00 C ATOM 1262 CG TYR A 86 17.023 -10.524 -10.154 1.00 0.00 C ATOM 1263 CD1 TYR A 86 16.871 -9.379 -10.959 1.00 0.00 C ATOM 1264 CD2 TYR A 86 18.194 -11.301 -10.247 1.00 0.00 C ATOM 1265 CE1 TYR A 86 17.916 -8.967 -11.808 1.00 0.00 C ATOM 1266 CE2 TYR A 86 19.221 -10.918 -11.127 1.00 0.00 C ATOM 1267 CZ TYR A 86 19.111 -9.723 -11.878 1.00 0.00 C ATOM 1268 OH TYR A 86 20.175 -9.272 -12.601 1.00 0.00 O ATOM 0 H TYR A 86 14.513 -11.379 -7.154 1.00 0.00 H new ATOM 0 HA TYR A 86 17.159 -10.213 -7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.963 -11.986 -9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.973 -10.649 -9.563 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.950 -8.815 -10.925 1.00 0.00 H new ATOM 0 HD2 TYR A 86 18.303 -12.190 -9.643 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.806 -8.074 -12.406 1.00 0.00 H new ATOM 0 HE2 TYR A 86 20.099 -11.539 -11.231 1.00 0.00 H new ATOM 0 HH TYR A 86 20.911 -9.916 -12.537 1.00 0.00 H new ATOM 1278 N PHE A 87 14.481 -8.378 -7.398 1.00 0.00 N ATOM 1279 CA PHE A 87 13.985 -7.000 -7.358 1.00 0.00 C ATOM 1280 C PHE A 87 13.837 -6.520 -5.915 1.00 0.00 C ATOM 1281 O PHE A 87 14.470 -5.532 -5.541 1.00 0.00 O ATOM 1282 CB PHE A 87 12.664 -6.890 -8.129 1.00 0.00 C ATOM 1283 CG PHE A 87 12.021 -5.510 -8.194 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.719 -4.320 -7.885 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.681 -5.418 -8.609 1.00 0.00 C ATOM 1286 CE1 PHE A 87 12.085 -3.070 -7.994 1.00 0.00 C ATOM 1287 CE2 PHE A 87 10.051 -4.167 -8.715 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.750 -2.991 -8.409 1.00 0.00 C ATOM 0 H PHE A 87 13.810 -9.051 -7.029 1.00 0.00 H new ATOM 0 HA PHE A 87 14.712 -6.349 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.836 -7.233 -9.149 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.949 -7.578 -7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.748 -4.372 -7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.131 -6.316 -8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.629 -2.168 -7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.021 -4.111 -9.034 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.262 -2.031 -8.493 1.00 0.00 H new ATOM 1298 N TRP A 88 13.063 -7.228 -5.084 1.00 0.00 N ATOM 1299 CA TRP A 88 12.787 -6.819 -3.702 1.00 0.00 C ATOM 1300 C TRP A 88 14.059 -6.681 -2.841 1.00 0.00 C ATOM 1301 O TRP A 88 14.012 -6.071 -1.773 1.00 0.00 O ATOM 1302 CB TRP A 88 11.750 -7.772 -3.075 1.00 0.00 C ATOM 1303 CG TRP A 88 10.369 -7.711 -3.675 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.843 -8.554 -4.593 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.310 -6.755 -3.386 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.540 -8.193 -4.880 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.177 -7.049 -4.204 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.207 -5.658 -2.513 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 7.025 -6.246 -4.200 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.047 -4.872 -2.475 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.964 -5.154 -3.323 1.00 0.00 C ATOM 0 H TRP A 88 12.610 -8.102 -5.351 1.00 0.00 H new ATOM 0 HA TRP A 88 12.364 -5.815 -3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.121 -8.793 -3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.675 -7.550 -2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.366 -9.388 -5.037 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.926 -8.708 -5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.034 -5.417 -1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.200 -6.466 -4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.986 -4.042 -1.787 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.083 -4.529 -3.300 1.00 0.00 H new ATOM 1322 N GLN A 89 15.201 -7.158 -3.343 1.00 0.00 N ATOM 1323 CA GLN A 89 16.556 -6.948 -2.837 1.00 0.00 C ATOM 1324 C GLN A 89 16.872 -5.500 -2.436 1.00 0.00 C ATOM 1325 O GLN A 89 17.167 -5.227 -1.276 1.00 0.00 O ATOM 1326 CB GLN A 89 17.683 -7.596 -3.641 1.00 0.00 C ATOM 1327 CG GLN A 89 17.295 -7.463 -5.062 1.00 0.00 C ATOM 1328 CD GLN A 89 18.446 -7.644 -6.042 1.00 0.00 C ATOM 1329 OE1 GLN A 89 18.948 -6.679 -6.617 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.897 -8.869 -6.238 1.00 0.00 N ATOM 0 H GLN A 89 15.200 -7.745 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 89 16.532 -7.519 -1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.635 -7.101 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.807 -8.644 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.522 -8.198 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.853 -6.479 -5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.466 -9.655 -5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.676 -9.030 -6.876 1.00 0.00 H new ATOM 1339 N THR A 90 16.827 -4.560 -3.382 1.00 0.00 N ATOM 1340 CA THR A 90 17.090 -3.137 -3.121 1.00 0.00 C ATOM 1341 C THR A 90 16.131 -2.628 -2.027 1.00 0.00 C ATOM 1342 O THR A 90 16.576 -2.087 -1.009 1.00 0.00 O ATOM 1343 CB THR A 90 17.128 -2.296 -4.430 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.001 -0.906 -4.194 1.00 0.00 O ATOM 1345 CG2 THR A 90 16.085 -2.693 -5.479 1.00 0.00 C ATOM 0 H THR A 90 16.606 -4.762 -4.357 1.00 0.00 H new ATOM 0 HA THR A 90 18.096 -3.011 -2.721 1.00 0.00 H new ATOM 0 HB THR A 90 18.116 -2.523 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.033 -0.425 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.188 -2.053 -6.355 1.00 0.00 H new ATOM 0 HG22 THR A 90 16.238 -3.732 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.085 -2.577 -5.060 1.00 0.00 H new ATOM 1353 N TYR A 91 14.838 -2.946 -2.130 1.00 0.00 N ATOM 1354 CA TYR A 91 13.822 -2.525 -1.162 1.00 0.00 C ATOM 1355 C TYR A 91 13.984 -3.185 0.228 1.00 0.00 C ATOM 1356 O TYR A 91 13.336 -2.751 1.184 1.00 0.00 O ATOM 1357 CB TYR A 91 12.415 -2.683 -1.786 1.00 0.00 C ATOM 1358 CG TYR A 91 12.086 -1.554 -2.763 1.00 0.00 C ATOM 1359 CD1 TYR A 91 12.583 -1.601 -4.080 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.345 -0.424 -2.356 1.00 0.00 C ATOM 1361 CE1 TYR A 91 12.408 -0.510 -4.951 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.161 0.669 -3.220 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.707 0.640 -4.517 1.00 0.00 C ATOM 1364 OH TYR A 91 11.559 1.721 -5.328 1.00 0.00 O ATOM 0 H TYR A 91 14.464 -3.508 -2.894 1.00 0.00 H new ATOM 0 HA TYR A 91 13.966 -1.466 -0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.355 -3.639 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.668 -2.704 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 91 13.103 -2.483 -4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.913 -0.399 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.809 -0.550 -5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.601 1.531 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 91 11.049 2.414 -4.859 1.00 0.00 H new ATOM 1374 N ALA A 92 14.899 -4.149 0.420 1.00 0.00 N ATOM 1375 CA ALA A 92 15.124 -4.856 1.683 1.00 0.00 C ATOM 1376 C ALA A 92 15.506 -3.909 2.811 1.00 0.00 C ATOM 1377 O ALA A 92 15.270 -4.232 3.972 1.00 0.00 O ATOM 1378 CB ALA A 92 16.200 -5.935 1.523 1.00 0.00 C ATOM 0 H ALA A 92 15.520 -4.465 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 92 14.179 -5.330 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.348 -6.445 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.883 -6.657 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.136 -5.472 1.210 1.00 0.00 H new ATOM 1384 N ALA A 93 16.032 -2.722 2.490 1.00 0.00 N ATOM 1385 CA ALA A 93 16.415 -1.752 3.495 1.00 0.00 C ATOM 1386 C ALA A 93 15.238 -1.261 4.354 1.00 0.00 C ATOM 1387 O ALA A 93 15.479 -0.744 5.443 1.00 0.00 O ATOM 1388 CB ALA A 93 17.137 -0.575 2.835 1.00 0.00 C ATOM 0 H ALA A 93 16.199 -2.418 1.531 1.00 0.00 H new ATOM 0 HA ALA A 93 17.092 -2.260 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.422 0.150 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.030 -0.936 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.474 -0.100 2.112 1.00 0.00 H new ATOM 1394 N TRP A 94 13.988 -1.454 3.913 1.00 0.00 N ATOM 1395 CA TRP A 94 12.788 -0.998 4.616 1.00 0.00 C ATOM 1396 C TRP A 94 11.804 -2.140 4.897 1.00 0.00 C ATOM 1397 O TRP A 94 10.742 -1.910 5.480 1.00 0.00 O ATOM 1398 CB TRP A 94 12.098 0.081 3.777 1.00 0.00 C ATOM 1399 CG TRP A 94 12.924 1.268 3.382 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.980 2.453 4.026 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.790 1.414 2.215 1.00 0.00 C ATOM 1402 NE1 TRP A 94 13.841 3.303 3.364 1.00 0.00 N ATOM 1403 CE2 TRP A 94 14.440 2.681 2.290 1.00 0.00 C ATOM 1404 CE3 TRP A 94 14.062 0.616 1.080 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 15.385 3.095 1.337 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.997 1.030 0.108 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.672 2.255 0.247 1.00 0.00 C ATOM 0 H TRP A 94 13.782 -1.941 3.041 1.00 0.00 H new ATOM 0 HA TRP A 94 13.099 -0.597 5.581 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.721 -0.387 2.868 1.00 0.00 H new ATOM 0 HB3 TRP A 94 11.232 0.441 4.333 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.433 2.698 4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.013 4.271 3.635 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.546 -0.325 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.885 4.047 1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.195 0.402 -0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 94 16.411 2.551 -0.483 1.00 0.00 H new ATOM 1418 N ILE A 95 12.109 -3.369 4.468 1.00 0.00 N ATOM 1419 CA ILE A 95 11.226 -4.507 4.689 1.00 0.00 C ATOM 1420 C ILE A 95 11.539 -5.067 6.084 1.00 0.00 C ATOM 1421 O ILE A 95 12.709 -5.216 6.444 1.00 0.00 O ATOM 1422 CB ILE A 95 11.349 -5.538 3.542 1.00 0.00 C ATOM 1423 CG1 ILE A 95 10.988 -4.943 2.160 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.372 -6.696 3.804 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.450 -5.734 0.926 1.00 0.00 C ATOM 0 H ILE A 95 12.966 -3.596 3.964 1.00 0.00 H new ATOM 0 HA ILE A 95 10.177 -4.212 4.671 1.00 0.00 H new ATOM 0 HB ILE A 95 12.389 -5.865 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.905 -4.835 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.412 -3.941 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 95 10.452 -7.428 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.618 -7.171 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.353 -6.311 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.136 -5.213 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.536 -5.821 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.006 -6.729 0.945 1.00 0.00 H new ATOM 1437 N GLN A 96 10.521 -5.362 6.887 1.00 0.00 N ATOM 1438 CA GLN A 96 10.617 -5.866 8.258 1.00 0.00 C ATOM 1439 C GLN A 96 9.536 -6.933 8.494 1.00 0.00 C ATOM 1440 O GLN A 96 8.601 -7.037 7.696 1.00 0.00 O ATOM 1441 CB GLN A 96 10.501 -4.715 9.285 1.00 0.00 C ATOM 1442 CG GLN A 96 9.688 -3.472 8.863 1.00 0.00 C ATOM 1443 CD GLN A 96 9.217 -2.588 10.025 1.00 0.00 C ATOM 1444 OE1 GLN A 96 8.410 -1.684 9.832 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.688 -2.792 11.248 1.00 0.00 N ATOM 0 H GLN A 96 9.553 -5.251 6.585 1.00 0.00 H new ATOM 0 HA GLN A 96 11.597 -6.324 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.055 -5.117 10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.509 -4.388 9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.296 -2.869 8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.816 -3.800 8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.359 -3.541 11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.379 -2.200 12.019 1.00 0.00 H new ATOM 1454 N PRO A 97 9.643 -7.733 9.570 1.00 0.00 N ATOM 1455 CA PRO A 97 8.603 -8.683 9.941 1.00 0.00 C ATOM 1456 C PRO A 97 7.279 -7.999 10.323 1.00 0.00 C ATOM 1457 O PRO A 97 7.173 -6.770 10.452 1.00 0.00 O ATOM 1458 CB PRO A 97 9.196 -9.538 11.071 1.00 0.00 C ATOM 1459 CG PRO A 97 10.329 -8.689 11.638 1.00 0.00 C ATOM 1460 CD PRO A 97 10.803 -7.869 10.443 1.00 0.00 C ATOM 0 HA PRO A 97 8.325 -9.310 9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.449 -9.763 11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.565 -10.492 10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.982 -8.049 12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.130 -9.309 12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.171 -6.893 10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.624 -8.367 9.928 1.00 0.00 H new ATOM 1468 N MET A 98 6.245 -8.818 10.490 1.00 0.00 N ATOM 1469 CA MET A 98 4.971 -8.443 11.075 1.00 0.00 C ATOM 1470 C MET A 98 5.018 -8.635 12.592 1.00 0.00 C ATOM 1471 O MET A 98 5.972 -9.150 13.177 1.00 0.00 O ATOM 1472 CB MET A 98 3.841 -9.291 10.460 1.00 0.00 C ATOM 1473 CG MET A 98 3.529 -8.869 9.031 1.00 0.00 C ATOM 1474 SD MET A 98 1.814 -9.161 8.548 1.00 0.00 S ATOM 1475 CE MET A 98 2.043 -9.360 6.773 1.00 0.00 C ATOM 0 H MET A 98 6.277 -9.798 10.209 1.00 0.00 H new ATOM 0 HA MET A 98 4.774 -7.392 10.862 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.127 -10.343 10.474 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.943 -9.197 11.071 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.754 -7.809 8.917 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.186 -9.409 8.350 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.169 -8.976 6.248 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.928 -8.808 6.456 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.171 -10.417 6.539 1.00 0.00 H new