USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 16 SER OG : rot 130:sc= 0.0271 USER MOD Set 1.2: A 46 SER OG : rot 70:sc= 1.32 USER MOD Single : A 3 CYS SG : rot 63:sc= 0.646 USER MOD Single : A 6 SER OG : rot -44:sc= 0.0748 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.01) USER MOD Single : A 19 SER OG : rot 106:sc= 1.22 USER MOD Single : A 21 THR OG1 : rot 82:sc= 0.517 USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= 1.29 (180deg=0.727) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.827) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 41 THR OG1 : rot -110:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.06 K(o=1.1,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.327 -1.420 -7.150 1.00 0.00 N ATOM 19 CA LEU A 2 -6.070 -2.832 -6.843 1.00 0.00 C ATOM 20 C LEU A 2 -4.588 -3.047 -6.536 1.00 0.00 C ATOM 21 O LEU A 2 -3.717 -2.443 -7.170 1.00 0.00 O ATOM 22 CB LEU A 2 -6.638 -3.772 -7.927 1.00 0.00 C ATOM 23 CG LEU A 2 -5.828 -3.914 -9.234 1.00 0.00 C ATOM 24 CD1 LEU A 2 -6.478 -4.987 -10.107 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.760 -2.626 -10.059 1.00 0.00 C ATOM 0 HA LEU A 2 -6.613 -3.102 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.749 -4.764 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.638 -3.424 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.812 -4.173 -8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.913 -5.094 -11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.483 -5.937 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.502 -4.696 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.175 -2.803 -10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.768 -2.317 -10.334 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.288 -1.840 -9.469 1.00 0.00 H new ATOM 37 N CYS A 3 -4.303 -3.922 -5.569 1.00 0.00 N ATOM 38 CA CYS A 3 -2.987 -4.055 -4.986 1.00 0.00 C ATOM 39 C CYS A 3 -1.835 -4.374 -5.948 1.00 0.00 C ATOM 40 O CYS A 3 -1.880 -5.343 -6.699 1.00 0.00 O ATOM 41 CB CYS A 3 -3.063 -5.015 -3.780 1.00 0.00 C ATOM 42 SG CYS A 3 -4.600 -4.960 -2.833 1.00 0.00 S ATOM 0 H CYS A 3 -4.993 -4.559 -5.172 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.705 -3.057 -4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.915 -6.033 -4.139 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.235 -4.791 -3.108 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.591 -5.322 -3.593 1.00 0.00 H new ATOM 48 N ALA A 4 -0.752 -3.601 -5.852 1.00 0.00 N ATOM 49 CA ALA A 4 0.454 -3.858 -6.650 1.00 0.00 C ATOM 50 C ALA A 4 1.217 -5.117 -6.184 1.00 0.00 C ATOM 51 O ALA A 4 2.034 -5.655 -6.935 1.00 0.00 O ATOM 52 CB ALA A 4 1.353 -2.621 -6.663 1.00 0.00 C ATOM 0 H ALA A 4 -0.682 -2.794 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 4 0.135 -4.064 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.243 -2.825 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.810 -1.781 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.647 -2.374 -5.643 1.00 0.00 H new ATOM 58 N ILE A 5 0.943 -5.601 -4.961 1.00 0.00 N ATOM 59 CA ILE A 5 1.546 -6.821 -4.407 1.00 0.00 C ATOM 60 C ILE A 5 0.744 -8.070 -4.821 1.00 0.00 C ATOM 61 O ILE A 5 1.311 -8.993 -5.409 1.00 0.00 O ATOM 62 CB ILE A 5 1.681 -6.689 -2.872 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.671 -5.590 -2.441 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.123 -8.024 -2.242 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.951 -4.267 -2.157 1.00 0.00 C ATOM 0 H ILE A 5 0.288 -5.149 -4.323 1.00 0.00 H new ATOM 0 HA ILE A 5 2.547 -6.946 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 5 0.690 -6.409 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.208 -5.912 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.414 -5.440 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.211 -7.905 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.383 -8.793 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.088 -8.319 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.679 -3.514 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.435 -3.933 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.226 -4.412 -1.356 1.00 0.00 H new ATOM 77 N SER A 6 -0.564 -8.112 -4.515 1.00 0.00 N ATOM 78 CA SER A 6 -1.419 -9.309 -4.674 1.00 0.00 C ATOM 79 C SER A 6 -2.628 -9.131 -5.598 1.00 0.00 C ATOM 80 O SER A 6 -3.238 -10.120 -6.009 1.00 0.00 O ATOM 81 CB SER A 6 -1.860 -9.836 -3.305 1.00 0.00 C ATOM 82 OG SER A 6 -2.314 -11.178 -3.371 1.00 0.00 O ATOM 0 H SER A 6 -1.068 -7.306 -4.145 1.00 0.00 H new ATOM 0 HA SER A 6 -0.789 -10.043 -5.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.026 -9.770 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.656 -9.203 -2.913 1.00 0.00 H new ATOM 0 HG SER A 6 -2.891 -11.290 -4.155 1.00 0.00 H new ATOM 88 N GLY A 7 -2.984 -7.893 -5.955 1.00 0.00 N ATOM 89 CA GLY A 7 -3.985 -7.609 -6.993 1.00 0.00 C ATOM 90 C GLY A 7 -5.437 -7.723 -6.537 1.00 0.00 C ATOM 91 O GLY A 7 -6.370 -7.691 -7.343 1.00 0.00 O ATOM 0 H GLY A 7 -2.585 -7.055 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.817 -6.601 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.827 -8.294 -7.826 1.00 0.00 H new ATOM 95 N LYS A 8 -5.601 -7.866 -5.226 1.00 0.00 N ATOM 96 CA LYS A 8 -6.848 -7.980 -4.473 1.00 0.00 C ATOM 97 C LYS A 8 -7.613 -6.646 -4.432 1.00 0.00 C ATOM 98 O LYS A 8 -7.043 -5.588 -4.704 1.00 0.00 O ATOM 99 CB LYS A 8 -6.376 -8.476 -3.096 1.00 0.00 C ATOM 100 CG LYS A 8 -7.461 -8.652 -2.027 1.00 0.00 C ATOM 101 CD LYS A 8 -6.832 -9.283 -0.778 1.00 0.00 C ATOM 102 CE LYS A 8 -7.839 -9.470 0.363 1.00 0.00 C ATOM 103 NZ LYS A 8 -8.813 -10.561 0.089 1.00 0.00 N ATOM 0 H LYS A 8 -4.792 -7.909 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.573 -8.661 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.872 -9.433 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.633 -7.775 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.905 -7.688 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.264 -9.285 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.404 -10.250 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.011 -8.654 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.302 -9.690 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.379 -8.537 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.472 -10.648 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.347 -10.341 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.303 -11.458 -0.038 1.00 0.00 H new ATOM 117 N VAL A 9 -8.904 -6.692 -4.094 1.00 0.00 N ATOM 118 CA VAL A 9 -9.731 -5.514 -3.775 1.00 0.00 C ATOM 119 C VAL A 9 -9.381 -5.066 -2.340 1.00 0.00 C ATOM 120 O VAL A 9 -9.698 -5.797 -1.398 1.00 0.00 O ATOM 121 CB VAL A 9 -11.231 -5.797 -4.006 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.837 -6.981 -3.235 1.00 0.00 C ATOM 123 CG2 VAL A 9 -12.064 -4.541 -3.732 1.00 0.00 C ATOM 0 H VAL A 9 -9.421 -7.569 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.511 -4.686 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.273 -6.091 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.894 -7.074 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.317 -7.899 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.730 -6.811 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.118 -4.760 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.919 -4.227 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.748 -3.742 -4.402 1.00 0.00 H new ATOM 133 N PRO A 10 -8.663 -3.941 -2.129 1.00 0.00 N ATOM 134 CA PRO A 10 -8.109 -3.582 -0.820 1.00 0.00 C ATOM 135 C PRO A 10 -9.135 -3.526 0.327 1.00 0.00 C ATOM 136 O PRO A 10 -10.034 -2.681 0.325 1.00 0.00 O ATOM 137 CB PRO A 10 -7.407 -2.230 -1.009 1.00 0.00 C ATOM 138 CG PRO A 10 -7.121 -2.150 -2.505 1.00 0.00 C ATOM 139 CD PRO A 10 -8.272 -2.941 -3.119 1.00 0.00 C ATOM 0 HA PRO A 10 -7.423 -4.368 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.040 -1.405 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.487 -2.176 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.107 -1.119 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.154 -2.586 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.109 -2.285 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.963 -3.417 -4.050 1.00 0.00 H new ATOM 147 N ARG A 11 -8.991 -4.400 1.334 1.00 0.00 N ATOM 148 CA ARG A 11 -9.747 -4.332 2.601 1.00 0.00 C ATOM 149 C ARG A 11 -9.217 -3.218 3.512 1.00 0.00 C ATOM 150 O ARG A 11 -10.012 -2.530 4.153 1.00 0.00 O ATOM 151 CB ARG A 11 -9.755 -5.698 3.316 1.00 0.00 C ATOM 152 CG ARG A 11 -10.354 -6.850 2.484 1.00 0.00 C ATOM 153 CD ARG A 11 -11.771 -6.553 1.971 1.00 0.00 C ATOM 154 NE ARG A 11 -12.373 -7.730 1.314 1.00 0.00 N ATOM 155 CZ ARG A 11 -13.379 -7.742 0.456 1.00 0.00 C ATOM 156 NH1 ARG A 11 -13.988 -6.654 0.076 1.00 0.00 N ATOM 157 NH2 ARG A 11 -13.807 -8.867 -0.042 1.00 0.00 N ATOM 0 H ARG A 11 -8.340 -5.184 1.295 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.780 -4.083 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.732 -5.957 3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.319 -5.605 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.702 -7.053 1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.377 -7.755 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.401 -6.239 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.736 -5.722 1.267 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.967 -8.636 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.692 -5.749 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.760 -6.707 -0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.366 -9.746 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.583 -8.869 -0.703 1.00 0.00 H new ATOM 171 N ARG A 12 -7.894 -2.995 3.517 1.00 0.00 N ATOM 172 CA ARG A 12 -7.217 -1.842 4.141 1.00 0.00 C ATOM 173 C ARG A 12 -6.412 -1.074 3.077 1.00 0.00 C ATOM 174 O ARG A 12 -5.216 -1.333 2.942 1.00 0.00 O ATOM 175 CB ARG A 12 -6.343 -2.306 5.318 1.00 0.00 C ATOM 176 CG ARG A 12 -7.168 -2.739 6.540 1.00 0.00 C ATOM 177 CD ARG A 12 -6.276 -3.143 7.723 1.00 0.00 C ATOM 178 NE ARG A 12 -5.515 -2.004 8.275 1.00 0.00 N ATOM 179 CZ ARG A 12 -4.835 -1.964 9.404 1.00 0.00 C ATOM 180 NH1 ARG A 12 -4.726 -2.990 10.199 1.00 0.00 N ATOM 181 NH2 ARG A 12 -4.241 -0.863 9.748 1.00 0.00 N ATOM 0 H ARG A 12 -7.239 -3.636 3.070 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.959 -1.156 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.718 -3.138 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.672 -1.497 5.607 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.823 -1.922 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.809 -3.577 6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.895 -3.577 8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.581 -3.918 7.401 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.515 -1.149 7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.178 -3.872 9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.189 -2.911 11.063 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.303 -0.041 9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.712 -0.820 10.619 1.00 0.00 H new ATOM 195 N PRO A 13 -7.044 -0.192 2.276 1.00 0.00 N ATOM 196 CA PRO A 13 -6.391 0.572 1.221 1.00 0.00 C ATOM 197 C PRO A 13 -5.286 1.455 1.782 1.00 0.00 C ATOM 198 O PRO A 13 -5.476 2.249 2.703 1.00 0.00 O ATOM 199 CB PRO A 13 -7.480 1.386 0.508 1.00 0.00 C ATOM 200 CG PRO A 13 -8.638 1.382 1.500 1.00 0.00 C ATOM 201 CD PRO A 13 -8.468 0.016 2.153 1.00 0.00 C ATOM 0 HA PRO A 13 -5.902 -0.093 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.144 2.399 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.764 0.931 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.563 2.195 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.604 1.483 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.952 -0.013 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.926 -0.766 1.547 1.00 0.00 H new ATOM 209 N VAL A 14 -4.109 1.293 1.203 1.00 0.00 N ATOM 210 CA VAL A 14 -2.904 2.042 1.568 1.00 0.00 C ATOM 211 C VAL A 14 -2.070 2.391 0.340 1.00 0.00 C ATOM 212 O VAL A 14 -2.115 1.717 -0.688 1.00 0.00 O ATOM 213 CB VAL A 14 -2.117 1.280 2.654 1.00 0.00 C ATOM 214 CG1 VAL A 14 -1.395 0.040 2.146 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.033 2.125 3.317 1.00 0.00 C ATOM 0 H VAL A 14 -3.954 0.624 0.449 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.193 3.000 2.000 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.904 1.008 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.867 -0.437 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.121 -0.658 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.680 0.326 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.518 1.530 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.318 2.455 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.488 2.995 3.791 1.00 0.00 H new ATOM 225 N LEU A 15 -1.319 3.479 0.464 1.00 0.00 N ATOM 226 CA LEU A 15 -0.568 4.152 -0.588 1.00 0.00 C ATOM 227 C LEU A 15 0.872 4.413 -0.111 1.00 0.00 C ATOM 228 O LEU A 15 1.126 4.628 1.079 1.00 0.00 O ATOM 229 CB LEU A 15 -1.355 5.449 -0.896 1.00 0.00 C ATOM 230 CG LEU A 15 -0.638 6.579 -1.657 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.365 6.228 -3.117 1.00 0.00 C ATOM 232 CD2 LEU A 15 -1.511 7.835 -1.650 1.00 0.00 C ATOM 0 H LEU A 15 -1.212 3.946 1.364 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.472 3.557 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.239 5.172 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.705 5.858 0.052 1.00 0.00 H new ATOM 0 HG LEU A 15 0.313 6.737 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.142 7.062 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.267 5.341 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.308 6.030 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.003 8.634 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.463 7.619 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.690 8.148 -0.621 1.00 0.00 H new ATOM 244 N SER A 16 1.802 4.435 -1.062 1.00 0.00 N ATOM 245 CA SER A 16 3.188 4.879 -0.898 1.00 0.00 C ATOM 246 C SER A 16 3.461 5.957 -1.953 1.00 0.00 C ATOM 247 O SER A 16 3.246 5.687 -3.139 1.00 0.00 O ATOM 248 CB SER A 16 4.178 3.725 -1.074 1.00 0.00 C ATOM 249 OG SER A 16 5.505 4.200 -0.938 1.00 0.00 O ATOM 0 H SER A 16 1.603 4.130 -2.015 1.00 0.00 H new ATOM 0 HA SER A 16 3.322 5.269 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.982 2.951 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.045 3.268 -2.054 1.00 0.00 H new ATOM 0 HG SER A 16 5.992 3.634 -0.303 1.00 0.00 H new ATOM 255 N PRO A 17 3.924 7.168 -1.582 1.00 0.00 N ATOM 256 CA PRO A 17 4.340 8.228 -2.511 1.00 0.00 C ATOM 257 C PRO A 17 5.370 7.836 -3.590 1.00 0.00 C ATOM 258 O PRO A 17 5.655 8.646 -4.477 1.00 0.00 O ATOM 259 CB PRO A 17 4.907 9.341 -1.622 1.00 0.00 C ATOM 260 CG PRO A 17 4.154 9.167 -0.306 1.00 0.00 C ATOM 261 CD PRO A 17 3.995 7.652 -0.209 1.00 0.00 C ATOM 0 HA PRO A 17 3.470 8.516 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.983 9.236 -1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.736 10.327 -2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.714 9.570 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.190 9.675 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.836 7.204 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.094 7.389 0.345 1.00 0.00 H new ATOM 269 N LYS A 18 5.940 6.624 -3.531 1.00 0.00 N ATOM 270 CA LYS A 18 6.963 6.097 -4.446 1.00 0.00 C ATOM 271 C LYS A 18 6.318 5.407 -5.661 1.00 0.00 C ATOM 272 O LYS A 18 6.399 5.939 -6.768 1.00 0.00 O ATOM 273 CB LYS A 18 7.953 5.208 -3.665 1.00 0.00 C ATOM 274 CG LYS A 18 8.469 5.872 -2.373 1.00 0.00 C ATOM 275 CD LYS A 18 9.540 5.024 -1.677 1.00 0.00 C ATOM 276 CE LYS A 18 9.829 5.576 -0.280 1.00 0.00 C ATOM 277 NZ LYS A 18 10.853 4.774 0.439 1.00 0.00 N ATOM 0 H LYS A 18 5.687 5.951 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 18 7.546 6.918 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.466 4.266 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.801 4.967 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.881 6.853 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.635 6.033 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.204 3.990 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.454 5.021 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.170 6.608 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.907 5.590 0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.215 5.318 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.425 3.890 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.637 4.552 -0.207 1.00 0.00 H new ATOM 291 N SER A 19 5.629 4.274 -5.474 1.00 0.00 N ATOM 292 CA SER A 19 4.845 3.593 -6.522 1.00 0.00 C ATOM 293 C SER A 19 3.577 4.357 -6.928 1.00 0.00 C ATOM 294 O SER A 19 3.160 4.284 -8.086 1.00 0.00 O ATOM 295 CB SER A 19 4.425 2.193 -6.055 1.00 0.00 C ATOM 296 OG SER A 19 5.563 1.415 -5.752 1.00 0.00 O ATOM 0 H SER A 19 5.598 3.793 -4.575 1.00 0.00 H new ATOM 0 HA SER A 19 5.502 3.539 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.786 2.272 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.838 1.704 -6.833 1.00 0.00 H new ATOM 0 HG SER A 19 5.646 1.322 -4.780 1.00 0.00 H new ATOM 302 N ARG A 20 2.962 5.092 -5.985 1.00 0.00 N ATOM 303 CA ARG A 20 1.714 5.884 -6.108 1.00 0.00 C ATOM 304 C ARG A 20 0.440 5.079 -6.447 1.00 0.00 C ATOM 305 O ARG A 20 -0.623 5.660 -6.671 1.00 0.00 O ATOM 306 CB ARG A 20 1.936 7.119 -7.006 1.00 0.00 C ATOM 307 CG ARG A 20 3.073 7.992 -6.456 1.00 0.00 C ATOM 308 CD ARG A 20 3.275 9.284 -7.251 1.00 0.00 C ATOM 309 NE ARG A 20 4.410 10.039 -6.689 1.00 0.00 N ATOM 310 CZ ARG A 20 4.859 11.225 -7.047 1.00 0.00 C ATOM 311 NH1 ARG A 20 4.311 11.921 -8.004 1.00 0.00 N ATOM 312 NH2 ARG A 20 5.883 11.741 -6.434 1.00 0.00 N ATOM 0 H ARG A 20 3.349 5.156 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 20 1.489 6.240 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.174 6.799 -8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.017 7.703 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.861 8.241 -5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.000 7.419 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.463 9.052 -8.299 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.369 9.890 -7.216 1.00 0.00 H new ATOM 0 HE ARG A 20 4.912 9.585 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.504 11.551 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.689 12.836 -8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.337 11.228 -5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.233 12.659 -6.709 1.00 0.00 H new ATOM 326 N THR A 21 0.532 3.752 -6.452 1.00 0.00 N ATOM 327 CA THR A 21 -0.554 2.767 -6.543 1.00 0.00 C ATOM 328 C THR A 21 -1.316 2.629 -5.205 1.00 0.00 C ATOM 329 O THR A 21 -0.889 3.188 -4.192 1.00 0.00 O ATOM 330 CB THR A 21 0.073 1.419 -6.941 1.00 0.00 C ATOM 331 OG1 THR A 21 1.041 1.025 -5.997 1.00 0.00 O ATOM 332 CG2 THR A 21 0.854 1.474 -8.253 1.00 0.00 C ATOM 0 H THR A 21 1.442 3.295 -6.387 1.00 0.00 H new ATOM 0 HA THR A 21 -1.281 3.094 -7.286 1.00 0.00 H new ATOM 0 HB THR A 21 -0.777 0.740 -7.016 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.599 0.601 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.268 0.490 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.187 1.775 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.665 2.197 -8.164 1.00 0.00 H new ATOM 340 N ILE A 22 -2.414 1.858 -5.158 1.00 0.00 N ATOM 341 CA ILE A 22 -3.156 1.551 -3.917 1.00 0.00 C ATOM 342 C ILE A 22 -3.172 0.035 -3.725 1.00 0.00 C ATOM 343 O ILE A 22 -3.718 -0.703 -4.543 1.00 0.00 O ATOM 344 CB ILE A 22 -4.580 2.149 -3.918 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.559 3.678 -4.161 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.280 1.829 -2.580 1.00 0.00 C ATOM 347 CD1 ILE A 22 -5.947 4.305 -4.351 1.00 0.00 C ATOM 0 H ILE A 22 -2.819 1.424 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.648 2.020 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.136 1.695 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.067 4.162 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.955 3.886 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.284 2.253 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.342 0.748 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.708 2.260 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.842 5.377 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.436 3.852 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.550 4.132 -3.459 1.00 0.00 H new ATOM 359 N PHE A 23 -2.559 -0.422 -2.638 1.00 0.00 N ATOM 360 CA PHE A 23 -2.462 -1.820 -2.217 1.00 0.00 C ATOM 361 C PHE A 23 -3.153 -2.069 -0.882 1.00 0.00 C ATOM 362 O PHE A 23 -3.700 -1.158 -0.262 1.00 0.00 O ATOM 363 CB PHE A 23 -1.007 -2.341 -2.277 1.00 0.00 C ATOM 364 CG PHE A 23 0.073 -1.284 -2.222 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.265 -0.563 -1.046 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.864 -1.002 -3.338 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.170 0.517 -1.011 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.844 -0.002 -3.286 1.00 0.00 C ATOM 369 CZ PHE A 23 1.976 0.786 -2.131 1.00 0.00 C ATOM 0 H PHE A 23 -2.089 0.208 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.016 -2.419 -2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.854 -3.033 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.883 -2.913 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.283 -0.833 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.719 -1.561 -4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.244 1.135 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.496 0.162 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.692 1.594 -2.103 1.00 0.00 H new ATOM 379 N GLU A 24 -3.187 -3.337 -0.477 1.00 0.00 N ATOM 380 CA GLU A 24 -3.765 -3.731 0.797 1.00 0.00 C ATOM 381 C GLU A 24 -2.676 -3.705 1.878 1.00 0.00 C ATOM 382 O GLU A 24 -1.599 -4.278 1.683 1.00 0.00 O ATOM 383 CB GLU A 24 -4.510 -5.063 0.681 1.00 0.00 C ATOM 384 CG GLU A 24 -4.991 -5.570 2.045 1.00 0.00 C ATOM 385 CD GLU A 24 -5.979 -6.734 1.888 1.00 0.00 C ATOM 386 OE1 GLU A 24 -7.076 -6.494 1.335 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.673 -7.866 2.330 1.00 0.00 O ATOM 0 H GLU A 24 -2.815 -4.114 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.528 -3.015 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.365 -4.944 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.855 -5.807 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.135 -5.893 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.468 -4.756 2.591 1.00 0.00 H new ATOM 394 N LYS A 25 -2.941 -3.063 3.025 1.00 0.00 N ATOM 395 CA LYS A 25 -1.998 -2.871 4.139 1.00 0.00 C ATOM 396 C LYS A 25 -1.413 -4.196 4.577 1.00 0.00 C ATOM 397 O LYS A 25 -0.206 -4.285 4.791 1.00 0.00 O ATOM 398 CB LYS A 25 -2.719 -2.154 5.296 1.00 0.00 C ATOM 399 CG LYS A 25 -1.860 -1.867 6.537 1.00 0.00 C ATOM 400 CD LYS A 25 -0.806 -0.774 6.308 1.00 0.00 C ATOM 401 CE LYS A 25 0.038 -0.491 7.560 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.784 -0.027 8.708 1.00 0.00 N ATOM 0 H LYS A 25 -3.853 -2.647 3.210 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.166 -2.248 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.115 -1.209 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.573 -2.760 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.510 -1.568 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.360 -2.785 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.149 -1.075 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.303 0.144 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.575 -1.396 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.788 0.264 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.198 0.550 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.579 0.544 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.151 -0.850 9.227 1.00 0.00 H new ATOM 416 N SER A 26 -2.257 -5.224 4.629 1.00 0.00 N ATOM 417 CA SER A 26 -1.839 -6.555 5.055 1.00 0.00 C ATOM 418 C SER A 26 -0.690 -7.119 4.202 1.00 0.00 C ATOM 419 O SER A 26 0.289 -7.649 4.739 1.00 0.00 O ATOM 420 CB SER A 26 -3.027 -7.521 5.057 1.00 0.00 C ATOM 421 OG SER A 26 -4.093 -6.986 5.830 1.00 0.00 O ATOM 0 H SER A 26 -3.244 -5.158 4.379 1.00 0.00 H new ATOM 0 HA SER A 26 -1.460 -6.453 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.362 -7.699 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.721 -8.485 5.464 1.00 0.00 H new ATOM 0 HG SER A 26 -4.848 -7.611 5.823 1.00 0.00 H new ATOM 427 N LEU A 27 -0.776 -6.969 2.870 1.00 0.00 N ATOM 428 CA LEU A 27 0.167 -7.566 1.915 1.00 0.00 C ATOM 429 C LEU A 27 1.309 -6.617 1.514 1.00 0.00 C ATOM 430 O LEU A 27 2.403 -7.104 1.228 1.00 0.00 O ATOM 431 CB LEU A 27 -0.575 -8.312 0.782 1.00 0.00 C ATOM 432 CG LEU A 27 -1.788 -7.625 0.119 1.00 0.00 C ATOM 433 CD1 LEU A 27 -1.436 -6.915 -1.167 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.911 -8.633 -0.132 1.00 0.00 C ATOM 0 H LEU A 27 -1.512 -6.423 2.423 1.00 0.00 H new ATOM 0 HA LEU A 27 0.722 -8.358 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.151 -8.531 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.913 -9.269 1.181 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.129 -6.865 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.331 -6.453 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.690 -6.146 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.033 -7.633 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.756 -8.127 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.550 -9.423 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.228 -9.068 0.816 1.00 0.00 H new ATOM 446 N LEU A 28 1.129 -5.287 1.593 1.00 0.00 N ATOM 447 CA LEU A 28 2.257 -4.348 1.475 1.00 0.00 C ATOM 448 C LEU A 28 3.187 -4.594 2.667 1.00 0.00 C ATOM 449 O LEU A 28 4.382 -4.794 2.482 1.00 0.00 O ATOM 450 CB LEU A 28 1.820 -2.871 1.481 1.00 0.00 C ATOM 451 CG LEU A 28 3.033 -1.894 1.462 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.667 -1.783 0.079 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.583 -0.540 1.992 1.00 0.00 C ATOM 0 H LEU A 28 0.223 -4.842 1.737 1.00 0.00 H new ATOM 0 HA LEU A 28 2.748 -4.526 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.188 -2.678 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.215 -2.677 2.366 1.00 0.00 H new ATOM 0 HG LEU A 28 3.814 -2.291 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.508 -1.090 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.020 -2.764 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.927 -1.415 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.425 0.152 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.785 -0.149 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.216 -0.652 3.012 1.00 0.00 H new ATOM 465 N GLU A 29 2.644 -4.576 3.889 1.00 0.00 N ATOM 466 CA GLU A 29 3.428 -4.751 5.118 1.00 0.00 C ATOM 467 C GLU A 29 4.179 -6.090 5.116 1.00 0.00 C ATOM 468 O GLU A 29 5.356 -6.124 5.460 1.00 0.00 O ATOM 469 CB GLU A 29 2.524 -4.593 6.352 1.00 0.00 C ATOM 470 CG GLU A 29 3.336 -4.435 7.641 1.00 0.00 C ATOM 471 CD GLU A 29 2.434 -4.441 8.887 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.621 -3.504 9.067 1.00 0.00 O ATOM 473 OE2 GLU A 29 2.571 -5.377 9.713 1.00 0.00 O ATOM 0 H GLU A 29 1.647 -4.439 4.055 1.00 0.00 H new ATOM 0 HA GLU A 29 4.187 -3.970 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.880 -3.724 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.873 -5.463 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.063 -5.244 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.899 -3.503 7.604 1.00 0.00 H new ATOM 480 N GLN A 30 3.552 -7.169 4.630 1.00 0.00 N ATOM 481 CA GLN A 30 4.236 -8.452 4.415 1.00 0.00 C ATOM 482 C GLN A 30 5.455 -8.314 3.482 1.00 0.00 C ATOM 483 O GLN A 30 6.570 -8.700 3.837 1.00 0.00 O ATOM 484 CB GLN A 30 3.230 -9.464 3.848 1.00 0.00 C ATOM 485 CG GLN A 30 3.766 -10.903 3.866 1.00 0.00 C ATOM 486 CD GLN A 30 2.710 -11.903 3.397 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.068 -12.591 4.182 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.483 -12.026 2.105 1.00 0.00 N ATOM 0 H GLN A 30 2.564 -7.179 4.376 1.00 0.00 H new ATOM 0 HA GLN A 30 4.618 -8.803 5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.307 -9.417 4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.979 -9.187 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.644 -10.973 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.088 -11.159 4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.009 -11.461 1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.781 -12.687 1.771 1.00 0.00 H new ATOM 497 N TYR A 31 5.251 -7.721 2.304 1.00 0.00 N ATOM 498 CA TYR A 31 6.254 -7.525 1.247 1.00 0.00 C ATOM 499 C TYR A 31 7.393 -6.581 1.687 1.00 0.00 C ATOM 500 O TYR A 31 8.558 -6.737 1.303 1.00 0.00 O ATOM 501 CB TYR A 31 5.502 -7.006 0.012 1.00 0.00 C ATOM 502 CG TYR A 31 6.344 -6.638 -1.193 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.011 -7.632 -1.937 1.00 0.00 C ATOM 504 CD2 TYR A 31 6.427 -5.297 -1.598 1.00 0.00 C ATOM 505 CE1 TYR A 31 7.767 -7.284 -3.075 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.191 -4.955 -2.724 1.00 0.00 C ATOM 507 CZ TYR A 31 7.878 -5.935 -3.463 1.00 0.00 C ATOM 508 OH TYR A 31 8.639 -5.592 -4.538 1.00 0.00 O ATOM 0 H TYR A 31 4.339 -7.345 2.045 1.00 0.00 H new ATOM 0 HA TYR A 31 6.754 -8.466 1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.784 -7.767 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.928 -6.127 0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.943 -8.666 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.904 -4.531 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.262 -8.053 -3.650 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.253 -3.921 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 31 8.643 -6.329 -5.184 1.00 0.00 H new ATOM 518 N VAL A 32 7.080 -5.644 2.582 1.00 0.00 N ATOM 519 CA VAL A 32 7.988 -4.615 3.105 1.00 0.00 C ATOM 520 C VAL A 32 8.677 -5.061 4.422 1.00 0.00 C ATOM 521 O VAL A 32 9.597 -4.418 4.923 1.00 0.00 O ATOM 522 CB VAL A 32 7.245 -3.262 3.113 1.00 0.00 C ATOM 523 CG1 VAL A 32 7.865 -2.097 3.885 1.00 0.00 C ATOM 524 CG2 VAL A 32 6.966 -2.834 1.665 1.00 0.00 C ATOM 0 H VAL A 32 6.144 -5.576 2.982 1.00 0.00 H new ATOM 0 HA VAL A 32 8.848 -4.469 2.452 1.00 0.00 H new ATOM 0 HB VAL A 32 6.340 -3.473 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.225 -1.219 3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.963 -2.368 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.850 -1.872 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.441 -1.879 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.909 -2.731 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.350 -3.588 1.175 1.00 0.00 H new ATOM 534 N LYS A 33 8.297 -6.220 4.963 1.00 0.00 N ATOM 535 CA LYS A 33 9.006 -6.936 6.054 1.00 0.00 C ATOM 536 C LYS A 33 9.884 -8.056 5.483 1.00 0.00 C ATOM 537 O LYS A 33 10.821 -8.526 6.127 1.00 0.00 O ATOM 538 CB LYS A 33 8.000 -7.493 7.070 1.00 0.00 C ATOM 539 CG LYS A 33 7.487 -6.328 7.916 1.00 0.00 C ATOM 540 CD LYS A 33 6.423 -6.765 8.930 1.00 0.00 C ATOM 541 CE LYS A 33 6.135 -5.611 9.899 1.00 0.00 C ATOM 542 NZ LYS A 33 5.055 -5.952 10.862 1.00 0.00 N ATOM 0 H LYS A 33 7.460 -6.712 4.651 1.00 0.00 H new ATOM 0 HA LYS A 33 9.655 -6.228 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.173 -7.984 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.474 -8.244 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.323 -5.871 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.069 -5.564 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.509 -7.055 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.768 -7.639 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.044 -5.361 10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.850 -4.724 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.071 -5.279 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.133 -5.900 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.204 -6.916 11.223 1.00 0.00 H new ATOM 556 N ASP A 34 9.590 -8.423 4.241 1.00 0.00 N ATOM 557 CA ASP A 34 10.354 -9.314 3.359 1.00 0.00 C ATOM 558 C ASP A 34 11.649 -8.643 2.872 1.00 0.00 C ATOM 559 O ASP A 34 12.751 -9.100 3.185 1.00 0.00 O ATOM 560 CB ASP A 34 9.488 -9.721 2.150 1.00 0.00 C ATOM 561 CG ASP A 34 9.205 -11.231 2.114 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.173 -12.022 2.012 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.020 -11.639 2.165 1.00 0.00 O ATOM 0 H ASP A 34 8.745 -8.081 3.783 1.00 0.00 H new ATOM 0 HA ASP A 34 10.627 -10.202 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.544 -9.178 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.992 -9.427 1.230 1.00 0.00 H new ATOM 568 N THR A 35 11.506 -7.546 2.118 1.00 0.00 N ATOM 569 CA THR A 35 12.619 -6.759 1.549 1.00 0.00 C ATOM 570 C THR A 35 12.542 -5.273 1.897 1.00 0.00 C ATOM 571 O THR A 35 13.558 -4.579 1.853 1.00 0.00 O ATOM 572 CB THR A 35 12.682 -6.877 0.015 1.00 0.00 C ATOM 573 OG1 THR A 35 11.536 -6.296 -0.574 1.00 0.00 O ATOM 574 CG2 THR A 35 12.810 -8.313 -0.493 1.00 0.00 C ATOM 0 H THR A 35 10.590 -7.167 1.877 1.00 0.00 H new ATOM 0 HA THR A 35 13.515 -7.185 1.999 1.00 0.00 H new ATOM 0 HB THR A 35 13.587 -6.344 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.592 -6.378 -1.549 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.848 -8.312 -1.582 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.723 -8.758 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.950 -8.894 -0.161 1.00 0.00 H new ATOM 582 N GLY A 36 11.352 -4.765 2.243 1.00 0.00 N ATOM 583 CA GLY A 36 11.113 -3.341 2.464 1.00 0.00 C ATOM 584 C GLY A 36 10.802 -2.557 1.193 1.00 0.00 C ATOM 585 O GLY A 36 10.234 -1.475 1.268 1.00 0.00 O ATOM 0 H GLY A 36 10.521 -5.342 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.283 -3.227 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.991 -2.906 2.941 1.00 0.00 H new ATOM 589 N ASN A 37 11.130 -3.084 0.021 1.00 0.00 N ATOM 590 CA ASN A 37 11.068 -2.338 -1.232 1.00 0.00 C ATOM 591 C ASN A 37 9.616 -2.012 -1.629 1.00 0.00 C ATOM 592 O ASN A 37 8.715 -2.811 -1.388 1.00 0.00 O ATOM 593 CB ASN A 37 11.770 -3.195 -2.300 1.00 0.00 C ATOM 594 CG ASN A 37 13.253 -3.426 -2.033 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.936 -2.651 -1.379 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.803 -4.508 -2.534 1.00 0.00 N ATOM 0 H ASN A 37 11.449 -4.047 -0.089 1.00 0.00 H new ATOM 0 HA ASN A 37 11.567 -1.375 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.268 -4.160 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.657 -2.712 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.793 -4.697 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.240 -5.160 -3.081 1.00 0.00 H new ATOM 603 N ASP A 38 9.368 -0.857 -2.254 1.00 0.00 N ATOM 604 CA ASP A 38 8.074 -0.551 -2.875 1.00 0.00 C ATOM 605 C ASP A 38 7.765 -1.531 -4.033 1.00 0.00 C ATOM 606 O ASP A 38 8.689 -1.991 -4.713 1.00 0.00 O ATOM 607 CB ASP A 38 8.048 0.890 -3.410 1.00 0.00 C ATOM 608 CG ASP A 38 7.021 1.756 -2.668 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.161 2.004 -1.446 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.052 2.184 -3.336 1.00 0.00 O ATOM 0 H ASP A 38 10.056 -0.109 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 38 7.312 -0.661 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.039 1.333 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.812 0.878 -4.474 1.00 0.00 H new ATOM 615 N PRO A 39 6.490 -1.854 -4.324 1.00 0.00 N ATOM 616 CA PRO A 39 6.132 -2.845 -5.351 1.00 0.00 C ATOM 617 C PRO A 39 6.525 -2.491 -6.795 1.00 0.00 C ATOM 618 O PRO A 39 6.545 -3.387 -7.642 1.00 0.00 O ATOM 619 CB PRO A 39 4.612 -2.980 -5.265 1.00 0.00 C ATOM 620 CG PRO A 39 4.315 -2.580 -3.829 1.00 0.00 C ATOM 621 CD PRO A 39 5.309 -1.462 -3.571 1.00 0.00 C ATOM 0 HA PRO A 39 6.688 -3.759 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.108 -2.328 -5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.284 -3.998 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.286 -2.240 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.458 -3.413 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.923 -0.500 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.529 -1.362 -2.508 1.00 0.00 H new ATOM 629 N ILE A 40 6.820 -1.216 -7.099 1.00 0.00 N ATOM 630 CA ILE A 40 7.005 -0.715 -8.477 1.00 0.00 C ATOM 631 C ILE A 40 8.355 -0.015 -8.628 1.00 0.00 C ATOM 632 O ILE A 40 9.100 -0.308 -9.567 1.00 0.00 O ATOM 633 CB ILE A 40 5.849 0.226 -8.910 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.432 -0.376 -8.744 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.037 0.723 -10.357 1.00 0.00 C ATOM 636 CD1 ILE A 40 4.124 -1.600 -9.616 1.00 0.00 C ATOM 0 H ILE A 40 6.939 -0.494 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 40 6.989 -1.581 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 40 5.909 1.067 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.295 -0.653 -7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.699 0.400 -8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.210 1.379 -10.627 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.976 1.272 -10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.059 -0.130 -11.035 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.107 -1.940 -9.420 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.220 -1.331 -10.668 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.826 -2.400 -9.380 1.00 0.00 H new ATOM 648 N THR A 41 8.696 0.892 -7.704 1.00 0.00 N ATOM 649 CA THR A 41 9.988 1.604 -7.749 1.00 0.00 C ATOM 650 C THR A 41 11.134 0.791 -7.148 1.00 0.00 C ATOM 651 O THR A 41 12.298 1.124 -7.369 1.00 0.00 O ATOM 652 CB THR A 41 9.932 2.964 -7.053 1.00 0.00 C ATOM 653 OG1 THR A 41 9.435 2.777 -5.759 1.00 0.00 O ATOM 654 CG2 THR A 41 9.007 3.950 -7.764 1.00 0.00 C ATOM 0 H THR A 41 8.101 1.152 -6.918 1.00 0.00 H new ATOM 0 HA THR A 41 10.184 1.755 -8.811 1.00 0.00 H new ATOM 0 HB THR A 41 10.941 3.376 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.536 3.162 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.005 4.899 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.360 4.110 -8.783 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.995 3.546 -7.790 1.00 0.00 H new ATOM 662 N ASN A 42 10.822 -0.278 -6.402 1.00 0.00 N ATOM 663 CA ASN A 42 11.713 -1.082 -5.556 1.00 0.00 C ATOM 664 C ASN A 42 12.554 -0.266 -4.556 1.00 0.00 C ATOM 665 O ASN A 42 13.553 -0.751 -4.026 1.00 0.00 O ATOM 666 CB ASN A 42 12.432 -2.190 -6.362 1.00 0.00 C ATOM 667 CG ASN A 42 13.906 -1.967 -6.694 1.00 0.00 C ATOM 668 OD1 ASN A 42 14.746 -2.828 -6.466 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.278 -0.855 -7.279 1.00 0.00 N ATOM 0 H ASN A 42 9.865 -0.630 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 42 11.087 -1.642 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.349 -3.122 -5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.892 -2.331 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.255 -0.717 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.591 -0.128 -7.476 1.00 0.00 H new ATOM 676 N GLU A 43 12.131 0.966 -4.260 1.00 0.00 N ATOM 677 CA GLU A 43 12.807 1.844 -3.302 1.00 0.00 C ATOM 678 C GLU A 43 12.707 1.278 -1.871 1.00 0.00 C ATOM 679 O GLU A 43 11.587 1.015 -1.422 1.00 0.00 O ATOM 680 CB GLU A 43 12.155 3.223 -3.369 1.00 0.00 C ATOM 681 CG GLU A 43 12.453 3.935 -4.694 1.00 0.00 C ATOM 682 CD GLU A 43 13.597 4.955 -4.552 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.778 4.534 -4.491 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.328 6.181 -4.501 1.00 0.00 O ATOM 0 H GLU A 43 11.303 1.385 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 43 13.864 1.914 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.077 3.121 -3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.513 3.834 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.716 3.197 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.554 4.443 -5.043 1.00 0.00 H new ATOM 691 N PRO A 44 13.830 1.066 -1.153 1.00 0.00 N ATOM 692 CA PRO A 44 13.836 0.515 0.203 1.00 0.00 C ATOM 693 C PRO A 44 12.897 1.231 1.187 1.00 0.00 C ATOM 694 O PRO A 44 12.911 2.461 1.300 1.00 0.00 O ATOM 695 CB PRO A 44 15.292 0.593 0.676 1.00 0.00 C ATOM 696 CG PRO A 44 16.082 0.478 -0.624 1.00 0.00 C ATOM 697 CD PRO A 44 15.201 1.230 -1.621 1.00 0.00 C ATOM 0 HA PRO A 44 13.453 -0.505 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.499 1.530 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.535 -0.213 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 44 17.071 0.928 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 44 16.229 -0.561 -0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.474 2.284 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.320 0.828 -2.627 1.00 0.00 H new ATOM 705 N LEU A 45 12.140 0.422 1.935 1.00 0.00 N ATOM 706 CA LEU A 45 11.123 0.769 2.944 1.00 0.00 C ATOM 707 C LEU A 45 9.875 1.478 2.372 1.00 0.00 C ATOM 708 O LEU A 45 9.943 2.310 1.467 1.00 0.00 O ATOM 709 CB LEU A 45 11.756 1.469 4.163 1.00 0.00 C ATOM 710 CG LEU A 45 12.649 0.514 4.987 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.633 1.302 5.848 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.814 -0.378 5.913 1.00 0.00 C ATOM 0 H LEU A 45 12.229 -0.590 1.844 1.00 0.00 H new ATOM 0 HA LEU A 45 10.716 -0.173 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.350 2.317 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.967 1.867 4.801 1.00 0.00 H new ATOM 0 HG LEU A 45 13.187 -0.108 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.252 0.610 6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.269 1.913 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.082 1.947 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.475 -1.036 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.247 0.245 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.126 -0.978 5.317 1.00 0.00 H new ATOM 724 N SER A 46 8.717 1.144 2.951 1.00 0.00 N ATOM 725 CA SER A 46 7.373 1.575 2.526 1.00 0.00 C ATOM 726 C SER A 46 6.510 1.989 3.711 1.00 0.00 C ATOM 727 O SER A 46 5.840 3.015 3.682 1.00 0.00 O ATOM 728 CB SER A 46 6.666 0.496 1.721 1.00 0.00 C ATOM 729 OG SER A 46 5.851 1.065 0.718 1.00 0.00 O ATOM 0 H SER A 46 8.686 0.536 3.769 1.00 0.00 H new ATOM 0 HA SER A 46 7.516 2.446 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.404 -0.164 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.057 -0.118 2.385 1.00 0.00 H new ATOM 0 HG SER A 46 6.417 1.463 0.023 1.00 0.00 H new ATOM 735 N ILE A 47 6.594 1.226 4.803 1.00 0.00 N ATOM 736 CA ILE A 47 6.002 1.533 6.106 1.00 0.00 C ATOM 737 C ILE A 47 6.495 2.851 6.720 1.00 0.00 C ATOM 738 O ILE A 47 5.718 3.609 7.295 1.00 0.00 O ATOM 739 CB ILE A 47 6.159 0.307 7.037 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.219 0.340 8.260 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.609 0.109 7.509 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.747 0.210 7.856 1.00 0.00 C ATOM 0 H ILE A 47 7.098 0.339 4.803 1.00 0.00 H new ATOM 0 HA ILE A 47 4.937 1.718 5.963 1.00 0.00 H new ATOM 0 HB ILE A 47 5.871 -0.543 6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.481 -0.470 8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.365 1.273 8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.664 -0.764 8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.256 -0.041 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.937 0.992 8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.121 0.238 8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.476 1.035 7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.595 -0.735 7.335 1.00 0.00 H new ATOM 754 N GLU A 48 7.756 3.201 6.477 1.00 0.00 N ATOM 755 CA GLU A 48 8.353 4.499 6.808 1.00 0.00 C ATOM 756 C GLU A 48 7.810 5.632 5.917 1.00 0.00 C ATOM 757 O GLU A 48 8.112 6.804 6.144 1.00 0.00 O ATOM 758 CB GLU A 48 9.886 4.414 6.689 1.00 0.00 C ATOM 759 CG GLU A 48 10.537 3.456 7.700 1.00 0.00 C ATOM 760 CD GLU A 48 10.341 3.927 9.155 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.069 4.844 9.607 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.466 3.374 9.866 1.00 0.00 O ATOM 0 H GLU A 48 8.417 2.567 6.028 1.00 0.00 H new ATOM 0 HA GLU A 48 8.078 4.738 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.145 4.093 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.307 5.410 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.110 2.460 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.603 3.374 7.486 1.00 0.00 H new ATOM 769 N GLU A 49 6.986 5.293 4.919 1.00 0.00 N ATOM 770 CA GLU A 49 6.369 6.231 3.963 1.00 0.00 C ATOM 771 C GLU A 49 4.835 6.068 3.873 1.00 0.00 C ATOM 772 O GLU A 49 4.178 6.664 3.019 1.00 0.00 O ATOM 773 CB GLU A 49 7.046 6.060 2.586 1.00 0.00 C ATOM 774 CG GLU A 49 7.219 7.385 1.831 1.00 0.00 C ATOM 775 CD GLU A 49 8.392 8.215 2.390 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.565 7.855 2.127 1.00 0.00 O ATOM 777 OE2 GLU A 49 8.149 9.242 3.068 1.00 0.00 O ATOM 0 H GLU A 49 6.718 4.324 4.745 1.00 0.00 H new ATOM 0 HA GLU A 49 6.531 7.247 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.023 5.597 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.452 5.377 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.390 7.181 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.299 7.965 1.899 1.00 0.00 H new ATOM 784 N ILE A 50 4.266 5.252 4.763 1.00 0.00 N ATOM 785 CA ILE A 50 2.879 4.780 4.738 1.00 0.00 C ATOM 786 C ILE A 50 1.813 5.892 4.775 1.00 0.00 C ATOM 787 O ILE A 50 1.797 6.755 5.657 1.00 0.00 O ATOM 788 CB ILE A 50 2.706 3.715 5.843 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.591 2.704 5.540 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.513 4.278 7.256 1.00 0.00 C ATOM 791 CD1 ILE A 50 2.046 1.667 4.507 1.00 0.00 C ATOM 0 H ILE A 50 4.785 4.884 5.560 1.00 0.00 H new ATOM 0 HA ILE A 50 2.695 4.324 3.765 1.00 0.00 H new ATOM 0 HB ILE A 50 3.666 3.198 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.295 2.199 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.712 3.230 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.400 3.456 7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.381 4.877 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.620 4.902 7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.234 0.965 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.318 2.172 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.910 1.125 4.892 1.00 0.00 H new ATOM 803 N VAL A 51 0.899 5.845 3.803 1.00 0.00 N ATOM 804 CA VAL A 51 -0.322 6.675 3.705 1.00 0.00 C ATOM 805 C VAL A 51 -1.571 5.781 3.678 1.00 0.00 C ATOM 806 O VAL A 51 -2.050 5.391 2.612 1.00 0.00 O ATOM 807 CB VAL A 51 -0.261 7.645 2.502 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.479 8.581 2.475 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.989 8.537 2.539 1.00 0.00 C ATOM 0 H VAL A 51 0.987 5.197 3.020 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.385 7.303 4.593 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.240 7.010 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.405 9.250 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.391 7.989 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.506 9.169 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.988 9.201 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.985 9.131 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.882 7.913 2.516 1.00 0.00 H new ATOM 819 N GLU A 52 -2.085 5.388 4.847 1.00 0.00 N ATOM 820 CA GLU A 52 -3.276 4.526 4.960 1.00 0.00 C ATOM 821 C GLU A 52 -4.582 5.318 4.779 1.00 0.00 C ATOM 822 O GLU A 52 -4.875 6.259 5.520 1.00 0.00 O ATOM 823 CB GLU A 52 -3.230 3.702 6.256 1.00 0.00 C ATOM 824 CG GLU A 52 -4.214 2.520 6.187 1.00 0.00 C ATOM 825 CD GLU A 52 -4.082 1.522 7.352 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.028 1.458 8.027 1.00 0.00 O ATOM 827 OE2 GLU A 52 -5.030 0.737 7.591 1.00 0.00 O ATOM 0 H GLU A 52 -1.689 5.657 5.748 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.261 3.812 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.219 3.330 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.478 4.338 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.232 2.909 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.061 1.988 5.248 1.00 0.00 H new ATOM 834 N ILE A 53 -5.344 4.952 3.747 1.00 0.00 N ATOM 835 CA ILE A 53 -6.576 5.604 3.296 1.00 0.00 C ATOM 836 C ILE A 53 -7.752 5.104 4.152 1.00 0.00 C ATOM 837 O ILE A 53 -7.967 3.896 4.282 1.00 0.00 O ATOM 838 CB ILE A 53 -6.797 5.307 1.788 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.606 5.816 0.936 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.113 5.940 1.297 1.00 0.00 C ATOM 841 CD1 ILE A 53 -5.617 5.332 -0.520 1.00 0.00 C ATOM 0 H ILE A 53 -5.104 4.146 3.170 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.502 6.685 3.416 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.863 4.226 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.609 6.906 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.676 5.496 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.249 5.720 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.948 5.528 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.074 7.020 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.750 5.734 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.581 4.243 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.528 5.675 -1.010 1.00 0.00 H new