USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot -72:sc= -0.84 USER MOD Set 1.2: A 29 THR OG1 : rot 135:sc= 1.11 USER MOD Set 1.3: A 31 THR OG1 : rot 77:sc= 1.34 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.602 K(o=0.6,f=-6.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= -0.0156 (180deg=-0.185) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= -0.0248 (180deg=-0.182) USER MOD Single : A 26 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.51) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 104:sc= 0.36 USER MOD Single : A 42 THR OG1 : rot -80:sc= -0.12 USER MOD Single : A 43 THR OG1 : rot 109:sc= -0.558 USER MOD Single : A 44 TYR OH : rot 22:sc= 0.672 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.05 F(o=-2.9!,f=-0.05) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.233 (180deg=-0.118) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.0801 K(o=-0.08,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.899 5.060 10.026 1.00 0.00 N ATOM 2 CA ARG A 1 5.758 5.203 8.556 1.00 0.00 C ATOM 3 C ARG A 1 7.090 4.912 7.862 1.00 0.00 C ATOM 4 O ARG A 1 7.975 5.767 7.831 1.00 0.00 O ATOM 5 CB ARG A 1 5.267 6.632 8.255 1.00 0.00 C ATOM 6 CG ARG A 1 5.162 6.953 6.778 1.00 0.00 C ATOM 7 CD ARG A 1 4.441 8.273 6.540 1.00 0.00 C ATOM 8 NE ARG A 1 4.579 8.736 5.157 1.00 0.00 N ATOM 9 CZ ARG A 1 3.802 9.669 4.598 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.799 10.208 5.282 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.056 10.085 3.361 1.00 0.00 N ATOM 0 H1 ARG A 1 4.987 5.261 10.483 1.00 0.00 H new ATOM 0 H2 ARG A 1 6.194 4.089 10.254 1.00 0.00 H new ATOM 0 H3 ARG A 1 6.615 5.730 10.373 1.00 0.00 H new ATOM 0 HA ARG A 1 5.033 4.485 8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.290 6.773 8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.947 7.344 8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.161 7.000 6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.630 6.150 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.384 8.156 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.839 9.030 7.216 1.00 0.00 H new ATOM 0 HE ARG A 1 5.314 8.320 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.617 9.910 6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.210 10.919 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.841 9.692 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.465 10.797 2.931 1.00 0.00 H new ATOM 27 N ILE A 2 7.241 3.696 7.317 1.00 0.00 N ATOM 28 CA ILE A 2 8.489 3.315 6.648 1.00 0.00 C ATOM 29 C ILE A 2 8.474 1.936 5.917 1.00 0.00 C ATOM 30 O ILE A 2 9.328 1.712 5.061 1.00 0.00 O ATOM 31 CB ILE A 2 9.672 3.334 7.659 1.00 0.00 C ATOM 32 CG1 ILE A 2 11.019 3.209 6.936 1.00 0.00 C ATOM 33 CG2 ILE A 2 9.526 2.237 8.705 1.00 0.00 C ATOM 34 CD1 ILE A 2 12.202 3.131 7.873 1.00 0.00 C ATOM 0 H ILE A 2 6.524 2.970 7.326 1.00 0.00 H new ATOM 0 HA ILE A 2 8.612 4.065 5.866 1.00 0.00 H new ATOM 0 HB ILE A 2 9.646 4.296 8.172 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.004 2.318 6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 2 11.147 4.064 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.368 2.278 9.395 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.597 2.382 9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.508 1.265 8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.121 3.044 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.243 4.033 8.484 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.097 2.260 8.519 1.00 0.00 H new ATOM 46 N PRO A 3 7.579 0.960 6.247 1.00 0.00 N ATOM 47 CA PRO A 3 7.615 -0.375 5.601 1.00 0.00 C ATOM 48 C PRO A 3 7.222 -0.454 4.112 1.00 0.00 C ATOM 49 O PRO A 3 6.191 -1.039 3.775 1.00 0.00 O ATOM 50 CB PRO A 3 6.636 -1.198 6.440 1.00 0.00 C ATOM 51 CG PRO A 3 5.697 -0.200 7.003 1.00 0.00 C ATOM 52 CD PRO A 3 6.529 1.017 7.288 1.00 0.00 C ATOM 0 HA PRO A 3 8.647 -0.724 5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.113 -1.935 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.152 -1.746 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.897 0.028 6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.225 -0.574 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.941 1.932 7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.954 0.988 8.291 1.00 0.00 H new ATOM 60 N VAL A 4 8.063 0.068 3.218 1.00 0.00 N ATOM 61 CA VAL A 4 7.802 -0.037 1.776 1.00 0.00 C ATOM 62 C VAL A 4 9.050 -0.540 1.058 1.00 0.00 C ATOM 63 O VAL A 4 10.165 -0.111 1.353 1.00 0.00 O ATOM 64 CB VAL A 4 7.339 1.294 1.129 1.00 0.00 C ATOM 65 CG1 VAL A 4 7.009 1.083 -0.342 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.126 1.844 1.847 1.00 0.00 C ATOM 0 H VAL A 4 8.922 0.563 3.460 1.00 0.00 H new ATOM 0 HA VAL A 4 6.980 -0.744 1.666 1.00 0.00 H new ATOM 0 HB VAL A 4 8.155 2.012 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.686 2.027 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.895 0.724 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.210 0.347 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.818 2.778 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.311 1.122 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.374 2.028 2.892 1.00 0.00 H new ATOM 76 N LYS A 5 8.858 -1.460 0.124 1.00 0.00 N ATOM 77 CA LYS A 5 9.964 -2.031 -0.627 1.00 0.00 C ATOM 78 C LYS A 5 9.867 -1.692 -2.113 1.00 0.00 C ATOM 79 O LYS A 5 10.335 -0.645 -2.560 1.00 0.00 O ATOM 80 CB LYS A 5 9.993 -3.554 -0.463 1.00 0.00 C ATOM 81 CG LYS A 5 10.943 -4.082 0.603 1.00 0.00 C ATOM 82 CD LYS A 5 12.393 -3.711 0.323 1.00 0.00 C ATOM 83 CE LYS A 5 13.311 -4.171 1.447 1.00 0.00 C ATOM 84 NZ LYS A 5 14.718 -3.753 1.217 1.00 0.00 N ATOM 0 H LYS A 5 7.942 -1.828 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 5 10.882 -1.599 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.985 -3.896 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.265 -4.000 -1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.651 -3.685 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.853 -5.167 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.711 -4.163 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.477 -2.631 0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.960 -3.760 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.264 -5.257 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.312 -4.085 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.061 -4.165 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.767 -2.716 1.160 1.00 0.00 H new ATOM 98 N TYR A 6 9.277 -2.614 -2.874 1.00 0.00 N ATOM 99 CA TYR A 6 9.140 -2.455 -4.314 1.00 0.00 C ATOM 100 C TYR A 6 7.853 -1.720 -4.682 1.00 0.00 C ATOM 101 O TYR A 6 7.047 -1.388 -3.817 1.00 0.00 O ATOM 102 CB TYR A 6 9.205 -3.825 -5.007 1.00 0.00 C ATOM 103 CG TYR A 6 10.329 -4.716 -4.481 1.00 0.00 C ATOM 104 CD1 TYR A 6 10.136 -5.551 -3.379 1.00 0.00 C ATOM 105 CD2 TYR A 6 11.590 -4.708 -5.071 1.00 0.00 C ATOM 106 CE1 TYR A 6 11.159 -6.347 -2.892 1.00 0.00 C ATOM 107 CE2 TYR A 6 12.615 -5.504 -4.587 1.00 0.00 C ATOM 108 CZ TYR A 6 12.394 -6.321 -3.500 1.00 0.00 C ATOM 109 OH TYR A 6 13.413 -7.120 -3.026 1.00 0.00 O ATOM 0 H TYR A 6 8.885 -3.483 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 6 9.971 -1.843 -4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.252 -4.337 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.340 -3.676 -6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.170 -5.577 -2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.772 -4.069 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.989 -6.986 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.585 -5.484 -5.061 1.00 0.00 H new ATOM 0 HH TYR A 6 14.217 -6.981 -3.569 1.00 0.00 H new ATOM 119 N GLY A 7 7.691 -1.454 -5.969 1.00 0.00 N ATOM 120 CA GLY A 7 6.530 -0.734 -6.461 1.00 0.00 C ATOM 121 C GLY A 7 6.934 0.609 -7.013 1.00 0.00 C ATOM 122 O GLY A 7 8.077 0.779 -7.446 1.00 0.00 O ATOM 0 H GLY A 7 8.354 -1.728 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.035 -1.318 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.810 -0.600 -5.654 1.00 0.00 H new ATOM 126 N ASN A 8 6.026 1.570 -7.010 1.00 0.00 N ATOM 127 CA ASN A 8 6.365 2.891 -7.536 1.00 0.00 C ATOM 128 C ASN A 8 6.383 3.967 -6.443 1.00 0.00 C ATOM 129 O ASN A 8 6.502 5.157 -6.735 1.00 0.00 O ATOM 130 CB ASN A 8 5.449 3.290 -8.700 1.00 0.00 C ATOM 131 CG ASN A 8 4.034 3.626 -8.277 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.492 3.043 -7.338 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.412 4.546 -9.000 1.00 0.00 N ATOM 0 H ASN A 8 5.073 1.471 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 8 7.380 2.819 -7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.880 4.151 -9.210 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.418 2.474 -9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.446 4.795 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.899 5.005 -9.770 1.00 0.00 H new ATOM 140 N ALA A 9 6.308 3.536 -5.183 1.00 0.00 N ATOM 141 CA ALA A 9 6.363 4.444 -4.040 1.00 0.00 C ATOM 142 C ALA A 9 7.776 4.461 -3.475 1.00 0.00 C ATOM 143 O ALA A 9 7.973 4.616 -2.269 1.00 0.00 O ATOM 144 CB ALA A 9 5.403 4.009 -2.950 1.00 0.00 C ATOM 0 H ALA A 9 6.208 2.553 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 9 6.077 5.439 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.465 4.703 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.386 4.004 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.667 3.007 -2.612 1.00 0.00 H new ATOM 150 N ASP A 10 8.756 4.272 -4.351 1.00 0.00 N ATOM 151 CA ASP A 10 10.156 4.241 -3.942 1.00 0.00 C ATOM 152 C ASP A 10 10.587 5.602 -3.418 1.00 0.00 C ATOM 153 O ASP A 10 10.704 6.569 -4.176 1.00 0.00 O ATOM 154 CB ASP A 10 11.044 3.824 -5.115 1.00 0.00 C ATOM 155 CG ASP A 10 12.457 3.501 -4.684 1.00 0.00 C ATOM 156 OD1 ASP A 10 12.723 3.465 -3.466 1.00 0.00 O ATOM 157 OD2 ASP A 10 13.300 3.262 -5.568 1.00 0.00 O ATOM 0 H ASP A 10 8.607 4.138 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 10 10.265 3.509 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.609 2.953 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.067 4.626 -5.853 1.00 0.00 H new ATOM 162 N GLY A 11 10.801 5.678 -2.118 1.00 0.00 N ATOM 163 CA GLY A 11 11.194 6.924 -1.500 1.00 0.00 C ATOM 164 C GLY A 11 10.251 7.307 -0.387 1.00 0.00 C ATOM 165 O GLY A 11 10.682 7.705 0.696 1.00 0.00 O ATOM 0 H GLY A 11 10.709 4.893 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.206 6.833 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.213 7.714 -2.251 1.00 0.00 H new ATOM 169 N GLU A 12 8.958 7.173 -0.651 1.00 0.00 N ATOM 170 CA GLU A 12 7.941 7.492 0.333 1.00 0.00 C ATOM 171 C GLU A 12 7.593 6.253 1.155 1.00 0.00 C ATOM 172 O GLU A 12 8.110 5.166 0.899 1.00 0.00 O ATOM 173 CB GLU A 12 6.687 8.059 -0.337 1.00 0.00 C ATOM 174 CG GLU A 12 6.898 9.397 -1.032 1.00 0.00 C ATOM 175 CD GLU A 12 7.278 9.243 -2.484 1.00 0.00 C ATOM 176 OE1 GLU A 12 7.293 8.102 -2.979 1.00 0.00 O ATOM 177 OE2 GLU A 12 7.532 10.269 -3.144 1.00 0.00 O ATOM 0 H GLU A 12 8.591 6.844 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 12 8.341 8.255 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.322 7.337 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.907 8.173 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.985 9.988 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.679 9.953 -0.513 1.00 0.00 H new ATOM 184 N TYR A 13 6.732 6.421 2.150 1.00 0.00 N ATOM 185 CA TYR A 13 6.345 5.307 3.010 1.00 0.00 C ATOM 186 C TYR A 13 4.828 5.104 3.005 1.00 0.00 C ATOM 187 O TYR A 13 4.120 5.685 2.180 1.00 0.00 O ATOM 188 CB TYR A 13 6.905 5.533 4.413 1.00 0.00 C ATOM 189 CG TYR A 13 8.393 5.824 4.388 1.00 0.00 C ATOM 190 CD1 TYR A 13 9.282 4.896 3.864 1.00 0.00 C ATOM 191 CD2 TYR A 13 8.903 7.031 4.855 1.00 0.00 C ATOM 192 CE1 TYR A 13 10.634 5.157 3.804 1.00 0.00 C ATOM 193 CE2 TYR A 13 10.257 7.297 4.802 1.00 0.00 C ATOM 194 CZ TYR A 13 11.118 6.356 4.275 1.00 0.00 C ATOM 195 OH TYR A 13 12.466 6.617 4.205 1.00 0.00 O ATOM 0 H TYR A 13 6.290 7.311 2.382 1.00 0.00 H new ATOM 0 HA TYR A 13 6.772 4.382 2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.380 6.364 4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.718 4.651 5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.908 3.952 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.231 7.770 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.310 4.424 3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.640 8.237 5.171 1.00 0.00 H new ATOM 0 HH TYR A 13 12.647 7.505 4.577 1.00 0.00 H new ATOM 205 N CYS A 14 4.340 4.248 3.893 1.00 0.00 N ATOM 206 CA CYS A 14 2.916 3.933 3.955 1.00 0.00 C ATOM 207 C CYS A 14 2.110 4.998 4.682 1.00 0.00 C ATOM 208 O CYS A 14 2.499 5.458 5.754 1.00 0.00 O ATOM 209 CB CYS A 14 2.703 2.594 4.655 1.00 0.00 C ATOM 210 SG CYS A 14 3.421 1.152 3.807 1.00 0.00 S ATOM 0 H CYS A 14 4.910 3.758 4.583 1.00 0.00 H new ATOM 0 HA CYS A 14 2.564 3.889 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.128 2.655 5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.632 2.430 4.772 1.00 0.00 H new ATOM 215 N LYS A 15 0.961 5.347 4.108 1.00 0.00 N ATOM 216 CA LYS A 15 0.061 6.318 4.712 1.00 0.00 C ATOM 217 C LYS A 15 -1.120 5.579 5.317 1.00 0.00 C ATOM 218 O LYS A 15 -1.961 5.041 4.596 1.00 0.00 O ATOM 219 CB LYS A 15 -0.434 7.345 3.685 1.00 0.00 C ATOM 220 CG LYS A 15 -1.439 8.344 4.249 1.00 0.00 C ATOM 221 CD LYS A 15 -0.853 9.159 5.396 1.00 0.00 C ATOM 222 CE LYS A 15 -1.877 10.121 5.987 1.00 0.00 C ATOM 223 NZ LYS A 15 -3.038 9.405 6.583 1.00 0.00 N ATOM 0 H LYS A 15 0.633 4.967 3.220 1.00 0.00 H new ATOM 0 HA LYS A 15 0.603 6.863 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.422 7.890 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.891 6.817 2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.765 9.017 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.323 7.811 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.495 8.486 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.010 9.721 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.399 10.735 6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.230 10.798 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.595 10.067 7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.636 9.021 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.696 8.627 7.182 1.00 0.00 H new ATOM 237 N PHE A 16 -1.169 5.531 6.635 1.00 0.00 N ATOM 238 CA PHE A 16 -2.243 4.840 7.328 1.00 0.00 C ATOM 239 C PHE A 16 -3.151 5.845 8.025 1.00 0.00 C ATOM 240 O PHE A 16 -2.685 6.650 8.825 1.00 0.00 O ATOM 241 CB PHE A 16 -1.660 3.859 8.354 1.00 0.00 C ATOM 242 CG PHE A 16 -0.811 2.760 7.760 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.905 2.427 6.421 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.083 2.060 8.554 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.125 1.418 5.883 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.867 1.053 8.028 1.00 0.00 C ATOM 247 CZ PHE A 16 0.769 0.727 6.685 1.00 0.00 C ATOM 0 H PHE A 16 -0.478 5.962 7.249 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.831 4.283 6.599 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.058 4.418 9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.480 3.406 8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.596 2.962 5.786 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.168 2.306 9.602 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.213 1.169 4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.557 0.519 8.664 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.383 -0.057 6.268 1.00 0.00 H new ATOM 257 N PRO A 17 -4.459 5.822 7.731 1.00 0.00 N ATOM 258 CA PRO A 17 -5.058 4.884 6.788 1.00 0.00 C ATOM 259 C PRO A 17 -5.097 5.418 5.361 1.00 0.00 C ATOM 260 O PRO A 17 -5.029 6.630 5.136 1.00 0.00 O ATOM 261 CB PRO A 17 -6.478 4.750 7.324 1.00 0.00 C ATOM 262 CG PRO A 17 -6.792 6.092 7.918 1.00 0.00 C ATOM 263 CD PRO A 17 -5.475 6.719 8.317 1.00 0.00 C ATOM 0 HA PRO A 17 -4.495 3.953 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.179 4.496 6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.545 3.961 8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.315 6.720 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.447 5.987 8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.383 7.734 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.375 6.781 9.401 1.00 0.00 H new ATOM 271 N PHE A 18 -5.243 4.507 4.408 1.00 0.00 N ATOM 272 CA PHE A 18 -5.334 4.883 3.004 1.00 0.00 C ATOM 273 C PHE A 18 -6.664 4.396 2.441 1.00 0.00 C ATOM 274 O PHE A 18 -7.262 3.464 2.978 1.00 0.00 O ATOM 275 CB PHE A 18 -4.134 4.357 2.187 1.00 0.00 C ATOM 276 CG PHE A 18 -4.069 2.861 1.985 1.00 0.00 C ATOM 277 CD1 PHE A 18 -4.791 2.247 0.974 1.00 0.00 C ATOM 278 CD2 PHE A 18 -3.262 2.076 2.796 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.714 0.883 0.774 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.183 0.709 2.603 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.908 0.107 1.592 1.00 0.00 C ATOM 0 H PHE A 18 -5.301 3.504 4.582 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.295 5.970 2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.151 4.835 1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.217 4.676 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.423 2.844 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.689 2.538 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.282 0.421 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.553 0.110 3.244 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.847 -0.961 1.440 1.00 0.00 H new ATOM 291 N LEU A 19 -7.150 5.055 1.398 1.00 0.00 N ATOM 292 CA LEU A 19 -8.439 4.713 0.811 1.00 0.00 C ATOM 293 C LEU A 19 -8.316 3.752 -0.373 1.00 0.00 C ATOM 294 O LEU A 19 -7.663 4.055 -1.376 1.00 0.00 O ATOM 295 CB LEU A 19 -9.150 5.994 0.362 1.00 0.00 C ATOM 296 CG LEU A 19 -10.616 5.822 -0.027 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.471 5.556 1.202 1.00 0.00 C ATOM 298 CD2 LEU A 19 -11.117 7.045 -0.779 1.00 0.00 C ATOM 0 H LEU A 19 -6.671 5.830 0.940 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.019 4.201 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.088 6.726 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.611 6.410 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.696 4.959 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.512 5.437 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.128 4.646 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.386 6.395 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.164 6.903 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.021 7.926 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.526 7.183 -1.684 1.00 0.00 H new ATOM 310 N PHE A 20 -8.988 2.611 -0.260 1.00 0.00 N ATOM 311 CA PHE A 20 -9.015 1.609 -1.314 1.00 0.00 C ATOM 312 C PHE A 20 -10.455 1.176 -1.536 1.00 0.00 C ATOM 313 O PHE A 20 -11.016 0.464 -0.701 1.00 0.00 O ATOM 314 CB PHE A 20 -8.216 0.382 -0.921 1.00 0.00 C ATOM 315 CG PHE A 20 -7.875 -0.517 -2.071 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.982 -0.096 -3.391 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.473 -1.804 -1.811 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.686 -0.967 -4.425 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.182 -2.679 -2.832 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.288 -2.262 -4.144 1.00 0.00 C ATOM 0 H PHE A 20 -9.529 2.357 0.567 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.583 2.045 -2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.293 0.702 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.782 -0.187 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.297 0.913 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.384 -2.135 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.766 -0.636 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.872 -3.689 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.061 -2.945 -4.949 1.00 0.00 H new ATOM 330 N ASN A 21 -11.051 1.602 -2.640 1.00 0.00 N ATOM 331 CA ASN A 21 -12.441 1.251 -2.954 1.00 0.00 C ATOM 332 C ASN A 21 -13.390 1.660 -1.826 1.00 0.00 C ATOM 333 O ASN A 21 -14.402 1.002 -1.589 1.00 0.00 O ATOM 334 CB ASN A 21 -12.579 -0.251 -3.227 1.00 0.00 C ATOM 335 CG ASN A 21 -12.015 -0.658 -4.572 1.00 0.00 C ATOM 336 OD1 ASN A 21 -12.445 -0.160 -5.614 1.00 0.00 O ATOM 337 ND2 ASN A 21 -11.057 -1.573 -4.559 1.00 0.00 N ATOM 0 H ASN A 21 -10.599 2.192 -3.338 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.716 1.802 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.068 -0.807 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.632 -0.529 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.645 -1.892 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.732 -1.958 -3.672 1.00 0.00 H new ATOM 344 N GLY A 22 -13.062 2.749 -1.138 1.00 0.00 N ATOM 345 CA GLY A 22 -13.905 3.226 -0.056 1.00 0.00 C ATOM 346 C GLY A 22 -13.542 2.657 1.304 1.00 0.00 C ATOM 347 O GLY A 22 -14.102 3.071 2.322 1.00 0.00 O ATOM 0 H GLY A 22 -12.228 3.310 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.843 4.313 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.942 2.975 -0.279 1.00 0.00 H new ATOM 351 N LYS A 23 -12.606 1.723 1.333 1.00 0.00 N ATOM 352 CA LYS A 23 -12.176 1.114 2.586 1.00 0.00 C ATOM 353 C LYS A 23 -10.841 1.713 3.021 1.00 0.00 C ATOM 354 O LYS A 23 -9.934 1.865 2.208 1.00 0.00 O ATOM 355 CB LYS A 23 -12.060 -0.404 2.410 1.00 0.00 C ATOM 356 CG LYS A 23 -11.821 -1.175 3.701 1.00 0.00 C ATOM 357 CD LYS A 23 -11.774 -2.671 3.439 1.00 0.00 C ATOM 358 CE LYS A 23 -11.481 -3.446 4.709 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.507 -3.209 5.763 1.00 0.00 N ATOM 0 H LYS A 23 -12.128 1.368 0.505 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.914 1.317 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.974 -0.774 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.243 -0.615 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.884 -0.852 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.614 -0.952 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.726 -2.999 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.008 -2.888 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.437 -4.511 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.500 -3.160 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.374 -3.892 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.407 -2.242 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.457 -3.327 5.356 1.00 0.00 H new ATOM 373 N GLU A 24 -10.732 2.070 4.293 1.00 0.00 N ATOM 374 CA GLU A 24 -9.509 2.673 4.813 1.00 0.00 C ATOM 375 C GLU A 24 -8.676 1.655 5.588 1.00 0.00 C ATOM 376 O GLU A 24 -9.134 1.080 6.576 1.00 0.00 O ATOM 377 CB GLU A 24 -9.855 3.869 5.697 1.00 0.00 C ATOM 378 CG GLU A 24 -10.676 4.921 4.977 1.00 0.00 C ATOM 379 CD GLU A 24 -10.990 6.112 5.844 1.00 0.00 C ATOM 380 OE1 GLU A 24 -10.044 6.781 6.300 1.00 0.00 O ATOM 381 OE2 GLU A 24 -12.185 6.382 6.069 1.00 0.00 O ATOM 0 H GLU A 24 -11.473 1.954 4.984 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.910 3.016 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.407 3.521 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.933 4.322 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.134 5.255 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.608 4.474 4.631 1.00 0.00 H new ATOM 388 N TYR A 25 -7.453 1.429 5.120 1.00 0.00 N ATOM 389 CA TYR A 25 -6.550 0.468 5.746 1.00 0.00 C ATOM 390 C TYR A 25 -5.496 1.146 6.612 1.00 0.00 C ATOM 391 O TYR A 25 -4.746 1.998 6.140 1.00 0.00 O ATOM 392 CB TYR A 25 -5.835 -0.348 4.676 1.00 0.00 C ATOM 393 CG TYR A 25 -6.752 -1.177 3.814 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.332 -2.339 4.300 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.042 -0.792 2.516 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.174 -3.098 3.509 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.883 -1.544 1.719 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.445 -2.694 2.219 1.00 0.00 C ATOM 399 OH TYR A 25 -9.284 -3.448 1.428 1.00 0.00 O ATOM 0 H TYR A 25 -7.062 1.901 4.305 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.162 -0.173 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.268 0.329 4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.115 -1.008 5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.123 -2.656 5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.603 0.112 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.617 -4.002 3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.098 -1.230 0.708 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.832 -4.278 1.170 1.00 0.00 H new ATOM 409 N ASN A 26 -5.409 0.725 7.863 1.00 0.00 N ATOM 410 CA ASN A 26 -4.405 1.256 8.782 1.00 0.00 C ATOM 411 C ASN A 26 -3.205 0.320 8.830 1.00 0.00 C ATOM 412 O ASN A 26 -2.486 0.255 9.827 1.00 0.00 O ATOM 413 CB ASN A 26 -4.984 1.447 10.185 1.00 0.00 C ATOM 414 CG ASN A 26 -5.608 2.812 10.360 1.00 0.00 C ATOM 415 OD1 ASN A 26 -4.907 3.827 10.353 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.923 2.852 10.494 1.00 0.00 N ATOM 0 H ASN A 26 -6.020 0.017 8.270 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.087 2.232 8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.734 0.679 10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.194 1.312 10.924 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.398 3.749 10.597 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.462 1.986 10.494 1.00 0.00 H new ATOM 423 N SER A 27 -3.014 -0.402 7.732 1.00 0.00 N ATOM 424 CA SER A 27 -1.930 -1.359 7.582 1.00 0.00 C ATOM 425 C SER A 27 -1.916 -1.869 6.146 1.00 0.00 C ATOM 426 O SER A 27 -2.748 -1.460 5.335 1.00 0.00 O ATOM 427 CB SER A 27 -2.105 -2.525 8.564 1.00 0.00 C ATOM 428 OG SER A 27 -3.445 -2.996 8.570 1.00 0.00 O ATOM 0 H SER A 27 -3.617 -0.337 6.912 1.00 0.00 H new ATOM 0 HA SER A 27 -0.981 -0.872 7.804 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.432 -3.338 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.825 -2.204 9.567 1.00 0.00 H new ATOM 0 HG SER A 27 -3.528 -3.740 9.203 1.00 0.00 H new ATOM 434 N CYS A 28 -0.985 -2.750 5.824 1.00 0.00 N ATOM 435 CA CYS A 28 -0.900 -3.292 4.472 1.00 0.00 C ATOM 436 C CYS A 28 -1.959 -4.367 4.253 1.00 0.00 C ATOM 437 O CYS A 28 -2.288 -5.120 5.170 1.00 0.00 O ATOM 438 CB CYS A 28 0.490 -3.862 4.221 1.00 0.00 C ATOM 439 SG CYS A 28 1.829 -2.652 4.464 1.00 0.00 S ATOM 0 H CYS A 28 -0.281 -3.105 6.471 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.083 -2.483 3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.652 -4.709 4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.538 -4.245 3.202 1.00 0.00 H new ATOM 444 N THR A 29 -2.490 -4.434 3.039 1.00 0.00 N ATOM 445 CA THR A 29 -3.508 -5.412 2.704 1.00 0.00 C ATOM 446 C THR A 29 -3.124 -6.163 1.436 1.00 0.00 C ATOM 447 O THR A 29 -2.264 -5.713 0.681 1.00 0.00 O ATOM 448 CB THR A 29 -4.867 -4.712 2.526 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.897 -5.651 2.274 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.897 -3.701 1.394 1.00 0.00 C ATOM 0 H THR A 29 -2.229 -3.818 2.269 1.00 0.00 H new ATOM 0 HA THR A 29 -3.588 -6.133 3.518 1.00 0.00 H new ATOM 0 HB THR A 29 -5.026 -4.186 3.467 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.679 -5.434 2.823 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.888 -3.252 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.157 -2.923 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.667 -4.201 0.453 1.00 0.00 H new ATOM 458 N ASP A 30 -3.774 -7.298 1.194 1.00 0.00 N ATOM 459 CA ASP A 30 -3.503 -8.079 -0.004 1.00 0.00 C ATOM 460 C ASP A 30 -4.638 -7.891 -0.989 1.00 0.00 C ATOM 461 O ASP A 30 -4.695 -8.550 -2.022 1.00 0.00 O ATOM 462 CB ASP A 30 -3.348 -9.564 0.290 1.00 0.00 C ATOM 463 CG ASP A 30 -3.245 -9.899 1.757 1.00 0.00 C ATOM 464 OD1 ASP A 30 -2.142 -9.817 2.312 1.00 0.00 O ATOM 465 OD2 ASP A 30 -4.284 -10.238 2.359 1.00 0.00 O ATOM 0 H ASP A 30 -4.486 -7.693 1.808 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.560 -7.722 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.199 -10.097 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.457 -9.932 -0.218 1.00 0.00 H new ATOM 470 N THR A 31 -5.558 -7.006 -0.639 1.00 0.00 N ATOM 471 CA THR A 31 -6.718 -6.733 -1.475 1.00 0.00 C ATOM 472 C THR A 31 -6.279 -6.196 -2.828 1.00 0.00 C ATOM 473 O THR A 31 -5.398 -5.341 -2.911 1.00 0.00 O ATOM 474 CB THR A 31 -7.624 -5.729 -0.784 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.930 -6.155 0.535 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.931 -5.497 -1.506 1.00 0.00 C ATOM 0 H THR A 31 -5.524 -6.462 0.223 1.00 0.00 H new ATOM 0 HA THR A 31 -7.267 -7.661 -1.632 1.00 0.00 H new ATOM 0 HB THR A 31 -7.064 -4.794 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.162 -5.986 1.120 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.527 -4.769 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.731 -5.118 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.480 -6.436 -1.576 1.00 0.00 H new ATOM 484 N GLY A 32 -6.873 -6.719 -3.886 1.00 0.00 N ATOM 485 CA GLY A 32 -6.508 -6.300 -5.215 1.00 0.00 C ATOM 486 C GLY A 32 -5.363 -7.137 -5.749 1.00 0.00 C ATOM 487 O GLY A 32 -5.193 -7.277 -6.958 1.00 0.00 O ATOM 0 H GLY A 32 -7.604 -7.429 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.369 -6.388 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.221 -5.249 -5.203 1.00 0.00 H new ATOM 491 N ARG A 33 -4.587 -7.701 -4.829 1.00 0.00 N ATOM 492 CA ARG A 33 -3.452 -8.546 -5.165 1.00 0.00 C ATOM 493 C ARG A 33 -3.839 -10.009 -5.037 1.00 0.00 C ATOM 494 O ARG A 33 -4.102 -10.492 -3.937 1.00 0.00 O ATOM 495 CB ARG A 33 -2.274 -8.255 -4.233 1.00 0.00 C ATOM 496 CG ARG A 33 -1.717 -6.843 -4.340 1.00 0.00 C ATOM 497 CD ARG A 33 -1.175 -6.526 -5.728 1.00 0.00 C ATOM 498 NE ARG A 33 -0.134 -7.463 -6.151 1.00 0.00 N ATOM 499 CZ ARG A 33 0.777 -7.190 -7.082 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.850 -5.978 -7.616 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.622 -8.133 -7.464 1.00 0.00 N ATOM 0 H ARG A 33 -4.730 -7.583 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.157 -8.333 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.589 -8.430 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.474 -8.964 -4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.501 -6.128 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.921 -6.715 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.993 -6.548 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.772 -5.513 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.105 -8.380 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.205 -5.248 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.551 -5.776 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.573 -9.062 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.323 -7.931 -8.177 1.00 0.00 H new ATOM 515 N SER A 34 -3.876 -10.714 -6.150 1.00 0.00 N ATOM 516 CA SER A 34 -4.237 -12.120 -6.134 1.00 0.00 C ATOM 517 C SER A 34 -3.049 -12.984 -5.720 1.00 0.00 C ATOM 518 O SER A 34 -3.174 -14.200 -5.566 1.00 0.00 O ATOM 519 CB SER A 34 -4.754 -12.537 -7.507 1.00 0.00 C ATOM 520 OG SER A 34 -5.783 -11.657 -7.940 1.00 0.00 O ATOM 0 H SER A 34 -3.662 -10.340 -7.074 1.00 0.00 H new ATOM 0 HA SER A 34 -5.028 -12.268 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.936 -12.532 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.134 -13.558 -7.464 1.00 0.00 H new ATOM 0 HG SER A 34 -6.103 -11.937 -8.823 1.00 0.00 H new ATOM 526 N ASP A 35 -1.895 -12.345 -5.547 1.00 0.00 N ATOM 527 CA ASP A 35 -0.680 -13.041 -5.162 1.00 0.00 C ATOM 528 C ASP A 35 -0.521 -13.110 -3.654 1.00 0.00 C ATOM 529 O ASP A 35 0.410 -13.735 -3.146 1.00 0.00 O ATOM 530 CB ASP A 35 0.536 -12.355 -5.769 1.00 0.00 C ATOM 531 CG ASP A 35 0.200 -11.330 -6.828 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.351 -10.266 -6.469 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.489 -11.578 -8.015 1.00 0.00 O ATOM 0 H ASP A 35 -1.780 -11.339 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.757 -14.060 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.100 -11.869 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.188 -13.112 -6.205 1.00 0.00 H new ATOM 538 N GLY A 36 -1.426 -12.459 -2.950 1.00 0.00 N ATOM 539 CA GLY A 36 -1.373 -12.441 -1.500 1.00 0.00 C ATOM 540 C GLY A 36 -0.216 -11.615 -0.971 1.00 0.00 C ATOM 541 O GLY A 36 0.352 -11.927 0.073 1.00 0.00 O ATOM 0 H GLY A 36 -2.204 -11.938 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.309 -12.041 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.285 -13.463 -1.130 1.00 0.00 H new ATOM 545 N PHE A 37 0.131 -10.558 -1.695 1.00 0.00 N ATOM 546 CA PHE A 37 1.229 -9.684 -1.292 1.00 0.00 C ATOM 547 C PHE A 37 0.701 -8.476 -0.530 1.00 0.00 C ATOM 548 O PHE A 37 -0.288 -7.862 -0.934 1.00 0.00 O ATOM 549 CB PHE A 37 2.029 -9.208 -2.507 1.00 0.00 C ATOM 550 CG PHE A 37 2.933 -10.250 -3.116 1.00 0.00 C ATOM 551 CD1 PHE A 37 2.943 -11.559 -2.647 1.00 0.00 C ATOM 552 CD2 PHE A 37 3.779 -9.917 -4.160 1.00 0.00 C ATOM 553 CE1 PHE A 37 3.773 -12.509 -3.210 1.00 0.00 C ATOM 554 CE2 PHE A 37 4.613 -10.863 -4.726 1.00 0.00 C ATOM 555 CZ PHE A 37 4.612 -12.159 -4.251 1.00 0.00 C ATOM 0 H PHE A 37 -0.330 -10.284 -2.563 1.00 0.00 H new ATOM 0 HA PHE A 37 1.887 -10.261 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.332 -8.861 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.633 -8.350 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.293 -11.837 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.787 -8.905 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.766 -13.523 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.266 -10.588 -5.541 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.265 -12.898 -4.692 1.00 0.00 H new ATOM 565 N LEU A 38 1.380 -8.135 0.556 1.00 0.00 N ATOM 566 CA LEU A 38 0.996 -6.990 1.377 1.00 0.00 C ATOM 567 C LEU A 38 1.485 -5.697 0.747 1.00 0.00 C ATOM 568 O LEU A 38 2.683 -5.536 0.506 1.00 0.00 O ATOM 569 CB LEU A 38 1.583 -7.108 2.786 1.00 0.00 C ATOM 570 CG LEU A 38 0.870 -8.067 3.751 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.595 -7.696 3.896 1.00 0.00 C ATOM 572 CD2 LEU A 38 1.016 -9.516 3.307 1.00 0.00 C ATOM 0 H LEU A 38 2.203 -8.635 0.892 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.092 -6.979 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.622 -7.425 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.590 -6.115 3.236 1.00 0.00 H new ATOM 0 HG LEU A 38 1.349 -7.969 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.079 -8.389 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.677 -6.681 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.082 -7.751 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.499 -10.167 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.581 -9.638 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.073 -9.782 3.275 1.00 0.00 H new ATOM 584 N TRP A 39 0.575 -4.769 0.493 1.00 0.00 N ATOM 585 CA TRP A 39 0.958 -3.496 -0.097 1.00 0.00 C ATOM 586 C TRP A 39 0.278 -2.329 0.613 1.00 0.00 C ATOM 587 O TRP A 39 -0.650 -2.519 1.401 1.00 0.00 O ATOM 588 CB TRP A 39 0.639 -3.452 -1.598 1.00 0.00 C ATOM 589 CG TRP A 39 -0.828 -3.493 -1.920 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.628 -4.597 -1.991 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.674 -2.369 -2.197 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.909 -4.229 -2.311 1.00 0.00 N ATOM 593 CE2 TRP A 39 -2.963 -2.869 -2.439 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.466 -0.991 -2.268 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.034 -2.043 -2.748 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.537 -0.171 -2.574 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.804 -0.702 -2.810 1.00 0.00 C ATOM 0 H TRP A 39 -0.422 -4.871 0.683 1.00 0.00 H new ATOM 0 HA TRP A 39 2.036 -3.400 0.029 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.067 -2.543 -2.022 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.130 -4.294 -2.087 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.300 -5.612 -1.820 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.695 -4.867 -2.434 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.487 -0.573 -2.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.017 -2.450 -2.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.389 0.897 -2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.621 -0.036 -3.047 1.00 0.00 H new ATOM 608 N CYS A 40 0.749 -1.129 0.317 1.00 0.00 N ATOM 609 CA CYS A 40 0.204 0.090 0.895 1.00 0.00 C ATOM 610 C CYS A 40 0.406 1.232 -0.090 1.00 0.00 C ATOM 611 O CYS A 40 1.177 1.096 -1.041 1.00 0.00 O ATOM 612 CB CYS A 40 0.921 0.428 2.203 1.00 0.00 C ATOM 613 SG CYS A 40 2.570 1.175 1.963 1.00 0.00 S ATOM 0 H CYS A 40 1.521 -0.971 -0.331 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.856 -0.055 1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.301 1.114 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.026 -0.481 2.795 1.00 0.00 H new ATOM 618 N SER A 41 -0.256 2.356 0.129 1.00 0.00 N ATOM 619 CA SER A 41 -0.091 3.492 -0.755 1.00 0.00 C ATOM 620 C SER A 41 0.505 4.673 0.002 1.00 0.00 C ATOM 621 O SER A 41 0.425 4.743 1.233 1.00 0.00 O ATOM 622 CB SER A 41 -1.426 3.880 -1.396 1.00 0.00 C ATOM 623 OG SER A 41 -2.408 4.149 -0.414 1.00 0.00 O ATOM 0 H SER A 41 -0.905 2.503 0.902 1.00 0.00 H new ATOM 0 HA SER A 41 0.597 3.209 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.288 4.759 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.768 3.074 -2.045 1.00 0.00 H new ATOM 0 HG SER A 41 -2.542 5.117 -0.342 1.00 0.00 H new ATOM 629 N THR A 42 1.105 5.594 -0.738 1.00 0.00 N ATOM 630 CA THR A 42 1.716 6.777 -0.155 1.00 0.00 C ATOM 631 C THR A 42 0.668 7.865 0.044 1.00 0.00 C ATOM 632 O THR A 42 0.704 8.624 1.016 1.00 0.00 O ATOM 633 CB THR A 42 2.821 7.283 -1.085 1.00 0.00 C ATOM 634 OG1 THR A 42 3.855 6.323 -1.208 1.00 0.00 O ATOM 635 CG2 THR A 42 3.442 8.581 -0.628 1.00 0.00 C ATOM 0 H THR A 42 1.181 5.542 -1.754 1.00 0.00 H new ATOM 0 HA THR A 42 2.143 6.522 0.815 1.00 0.00 H new ATOM 0 HB THR A 42 2.333 7.456 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.444 6.375 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.217 8.882 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.675 9.354 -0.580 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.883 8.446 0.360 1.00 0.00 H new ATOM 643 N THR A 43 -0.252 7.937 -0.897 1.00 0.00 N ATOM 644 CA THR A 43 -1.305 8.928 -0.865 1.00 0.00 C ATOM 645 C THR A 43 -2.570 8.360 -0.237 1.00 0.00 C ATOM 646 O THR A 43 -2.759 7.140 -0.190 1.00 0.00 O ATOM 647 CB THR A 43 -1.574 9.394 -2.291 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.968 8.298 -3.107 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.362 10.027 -2.946 1.00 0.00 C ATOM 0 H THR A 43 -0.290 7.312 -1.702 1.00 0.00 H new ATOM 0 HA THR A 43 -0.991 9.773 -0.253 1.00 0.00 H new ATOM 0 HB THR A 43 -2.365 10.140 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.919 8.381 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.617 10.338 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.048 10.896 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.452 9.303 -2.983 1.00 0.00 H new ATOM 657 N TYR A 44 -3.442 9.244 0.234 1.00 0.00 N ATOM 658 CA TYR A 44 -4.692 8.815 0.843 1.00 0.00 C ATOM 659 C TYR A 44 -5.576 8.161 -0.210 1.00 0.00 C ATOM 660 O TYR A 44 -6.073 7.056 -0.020 1.00 0.00 O ATOM 661 CB TYR A 44 -5.422 10.001 1.480 1.00 0.00 C ATOM 662 CG TYR A 44 -6.702 9.620 2.212 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.671 8.779 3.323 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.939 10.102 1.796 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.830 8.435 3.995 1.00 0.00 C ATOM 666 CE2 TYR A 44 -9.104 9.760 2.465 1.00 0.00 C ATOM 667 CZ TYR A 44 -9.041 8.928 3.561 1.00 0.00 C ATOM 668 OH TYR A 44 -10.194 8.593 4.230 1.00 0.00 O ATOM 0 H TYR A 44 -3.307 10.255 0.206 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.468 8.092 1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.749 10.495 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.662 10.726 0.703 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.724 8.389 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.993 10.754 0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.786 7.783 4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.056 10.144 2.129 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.973 8.315 5.144 1.00 0.00 H new ATOM 678 N ASN A 45 -5.748 8.846 -1.332 1.00 0.00 N ATOM 679 CA ASN A 45 -6.550 8.316 -2.422 1.00 0.00 C ATOM 680 C ASN A 45 -5.639 7.533 -3.363 1.00 0.00 C ATOM 681 O ASN A 45 -4.866 8.120 -4.124 1.00 0.00 O ATOM 682 CB ASN A 45 -7.252 9.461 -3.170 1.00 0.00 C ATOM 683 CG ASN A 45 -8.334 9.040 -4.121 1.00 0.00 C ATOM 684 OD1 ASN A 45 -8.365 7.799 -4.529 1.00 0.00 O flip ATOM 685 ND2 ASN A 45 -9.142 9.869 -4.530 1.00 0.00 N flip ATOM 0 H ASN A 45 -5.344 9.766 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.320 7.652 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.682 10.142 -2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.502 10.023 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.098 10.832 -4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.858 9.595 -5.203 1.00 0.00 H new ATOM 692 N PHE A 46 -5.714 6.209 -3.294 1.00 0.00 N ATOM 693 CA PHE A 46 -4.874 5.349 -4.126 1.00 0.00 C ATOM 694 C PHE A 46 -5.330 5.358 -5.578 1.00 0.00 C ATOM 695 O PHE A 46 -4.513 5.327 -6.498 1.00 0.00 O ATOM 696 CB PHE A 46 -4.867 3.917 -3.583 1.00 0.00 C ATOM 697 CG PHE A 46 -4.150 2.943 -4.491 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.761 2.921 -4.560 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.865 2.071 -5.302 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.109 2.048 -5.408 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.213 1.198 -6.156 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.836 1.185 -6.208 1.00 0.00 C ATOM 0 H PHE A 46 -6.347 5.706 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.860 5.747 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.391 3.909 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.895 3.583 -3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.185 3.595 -3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.944 2.074 -5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.030 2.039 -5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.783 0.527 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.326 0.503 -6.872 1.00 0.00 H new ATOM 712 N GLU A 47 -6.637 5.390 -5.784 1.00 0.00 N ATOM 713 CA GLU A 47 -7.197 5.394 -7.130 1.00 0.00 C ATOM 714 C GLU A 47 -6.779 6.654 -7.894 1.00 0.00 C ATOM 715 O GLU A 47 -6.595 6.621 -9.112 1.00 0.00 O ATOM 716 CB GLU A 47 -8.721 5.297 -7.055 1.00 0.00 C ATOM 717 CG GLU A 47 -9.341 4.542 -8.213 1.00 0.00 C ATOM 718 CD GLU A 47 -10.756 4.107 -7.919 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.233 4.356 -6.795 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.384 3.497 -8.801 1.00 0.00 O ATOM 0 H GLU A 47 -7.332 5.414 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.809 4.531 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.000 4.807 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.139 6.303 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.334 5.174 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.733 3.666 -8.440 1.00 0.00 H new ATOM 727 N LYS A 48 -6.630 7.759 -7.168 1.00 0.00 N ATOM 728 CA LYS A 48 -6.241 9.034 -7.767 1.00 0.00 C ATOM 729 C LYS A 48 -4.759 9.061 -8.152 1.00 0.00 C ATOM 730 O LYS A 48 -4.425 9.233 -9.321 1.00 0.00 O ATOM 731 CB LYS A 48 -6.568 10.192 -6.808 1.00 0.00 C ATOM 732 CG LYS A 48 -5.963 11.549 -7.183 1.00 0.00 C ATOM 733 CD LYS A 48 -6.479 12.085 -8.511 1.00 0.00 C ATOM 734 CE LYS A 48 -7.985 12.284 -8.498 1.00 0.00 C ATOM 735 NZ LYS A 48 -8.492 12.740 -9.824 1.00 0.00 N ATOM 0 H LYS A 48 -6.773 7.797 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.816 9.154 -8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.651 10.300 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.222 9.923 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.185 12.269 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.878 11.456 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.990 13.033 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.212 11.393 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.473 11.349 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.249 13.017 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.523 12.865 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.044 13.645 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.262 12.029 -10.547 1.00 0.00 H new ATOM 749 N ASP A 49 -3.873 8.914 -7.165 1.00 0.00 N ATOM 750 CA ASP A 49 -2.433 8.954 -7.421 1.00 0.00 C ATOM 751 C ASP A 49 -1.906 7.611 -7.909 1.00 0.00 C ATOM 752 O ASP A 49 -1.405 7.505 -9.026 1.00 0.00 O ATOM 753 CB ASP A 49 -1.691 9.417 -6.168 1.00 0.00 C ATOM 754 CG ASP A 49 -1.891 10.894 -5.919 1.00 0.00 C ATOM 755 OD1 ASP A 49 -1.419 11.699 -6.747 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.533 11.252 -4.910 1.00 0.00 O ATOM 0 H ASP A 49 -4.125 8.767 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.252 9.672 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.043 8.851 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.627 9.206 -6.275 1.00 0.00 H new ATOM 761 N GLY A 50 -2.040 6.581 -7.086 1.00 0.00 N ATOM 762 CA GLY A 50 -1.591 5.260 -7.488 1.00 0.00 C ATOM 763 C GLY A 50 -0.210 4.880 -6.991 1.00 0.00 C ATOM 764 O GLY A 50 0.338 3.863 -7.417 1.00 0.00 O ATOM 0 H GLY A 50 -2.448 6.633 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.308 4.522 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.598 5.205 -8.577 1.00 0.00 H new ATOM 768 N LYS A 51 0.360 5.667 -6.088 1.00 0.00 N ATOM 769 CA LYS A 51 1.677 5.354 -5.553 1.00 0.00 C ATOM 770 C LYS A 51 1.572 4.276 -4.485 1.00 0.00 C ATOM 771 O LYS A 51 0.990 4.504 -3.422 1.00 0.00 O ATOM 772 CB LYS A 51 2.313 6.601 -4.997 1.00 0.00 C ATOM 773 CG LYS A 51 2.580 7.614 -6.080 1.00 0.00 C ATOM 774 CD LYS A 51 3.120 8.885 -5.510 1.00 0.00 C ATOM 775 CE LYS A 51 4.600 8.776 -5.173 1.00 0.00 C ATOM 776 NZ LYS A 51 5.148 10.056 -4.658 1.00 0.00 N ATOM 0 H LYS A 51 -0.063 6.517 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 51 2.307 4.972 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.660 7.038 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.248 6.343 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.290 7.204 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.658 7.819 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.970 9.695 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.562 9.145 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.746 7.993 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.154 8.476 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.187 10.010 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.841 10.837 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.800 10.219 -3.691 1.00 0.00 H new ATOM 790 N TYR A 52 2.106 3.095 -4.779 1.00 0.00 N ATOM 791 CA TYR A 52 2.040 1.970 -3.856 1.00 0.00 C ATOM 792 C TYR A 52 3.385 1.270 -3.727 1.00 0.00 C ATOM 793 O TYR A 52 4.288 1.457 -4.545 1.00 0.00 O ATOM 794 CB TYR A 52 1.001 0.956 -4.352 1.00 0.00 C ATOM 795 CG TYR A 52 1.471 0.146 -5.544 1.00 0.00 C ATOM 796 CD1 TYR A 52 2.173 -1.044 -5.369 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.244 0.587 -6.840 1.00 0.00 C ATOM 798 CE1 TYR A 52 2.636 -1.764 -6.447 1.00 0.00 C ATOM 799 CE2 TYR A 52 1.701 -0.133 -7.926 1.00 0.00 C ATOM 800 CZ TYR A 52 2.395 -1.307 -7.724 1.00 0.00 C ATOM 801 OH TYR A 52 2.860 -2.019 -8.800 1.00 0.00 O ATOM 0 H TYR A 52 2.591 2.893 -5.653 1.00 0.00 H new ATOM 0 HA TYR A 52 1.758 2.361 -2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.749 0.277 -3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.087 1.485 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.357 -1.409 -4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.702 1.507 -7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.185 -2.681 -6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.516 0.222 -8.929 1.00 0.00 H new ATOM 0 HH TYR A 52 2.605 -1.563 -9.629 1.00 0.00 H new ATOM 811 N GLY A 53 3.485 0.431 -2.714 1.00 0.00 N ATOM 812 CA GLY A 53 4.685 -0.337 -2.483 1.00 0.00 C ATOM 813 C GLY A 53 4.395 -1.554 -1.643 1.00 0.00 C ATOM 814 O GLY A 53 3.382 -1.598 -0.944 1.00 0.00 O ATOM 0 H GLY A 53 2.742 0.266 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.114 -0.643 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.428 0.285 -1.984 1.00 0.00 H new ATOM 818 N PHE A 54 5.256 -2.554 -1.720 1.00 0.00 N ATOM 819 CA PHE A 54 5.041 -3.777 -0.964 1.00 0.00 C ATOM 820 C PHE A 54 5.710 -3.728 0.399 1.00 0.00 C ATOM 821 O PHE A 54 6.813 -3.206 0.544 1.00 0.00 O ATOM 822 CB PHE A 54 5.534 -4.990 -1.745 1.00 0.00 C ATOM 823 CG PHE A 54 4.830 -5.175 -3.053 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.471 -5.439 -3.088 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.522 -5.078 -4.244 1.00 0.00 C ATOM 826 CE1 PHE A 54 2.819 -5.606 -4.294 1.00 0.00 C ATOM 827 CE2 PHE A 54 4.878 -5.243 -5.451 1.00 0.00 C ATOM 828 CZ PHE A 54 3.523 -5.508 -5.476 1.00 0.00 C ATOM 0 H PHE A 54 6.101 -2.545 -2.291 1.00 0.00 H new ATOM 0 HA PHE A 54 3.967 -3.869 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.604 -4.887 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.399 -5.885 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.916 -5.515 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.582 -4.870 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.759 -5.813 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.432 -5.165 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.015 -5.638 -6.420 1.00 0.00 H new ATOM 838 N CYS A 55 5.038 -4.285 1.391 1.00 0.00 N ATOM 839 CA CYS A 55 5.559 -4.320 2.749 1.00 0.00 C ATOM 840 C CYS A 55 5.750 -5.758 3.208 1.00 0.00 C ATOM 841 O CYS A 55 4.821 -6.386 3.720 1.00 0.00 O ATOM 842 CB CYS A 55 4.612 -3.584 3.697 1.00 0.00 C ATOM 843 SG CYS A 55 3.080 -2.991 2.905 1.00 0.00 S ATOM 0 H CYS A 55 4.123 -4.723 1.281 1.00 0.00 H new ATOM 0 HA CYS A 55 6.528 -3.820 2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.349 -4.249 4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.137 -2.733 4.130 1.00 0.00 H new ATOM 848 N PRO A 56 6.958 -6.306 3.023 1.00 0.00 N ATOM 849 CA PRO A 56 7.265 -7.674 3.411 1.00 0.00 C ATOM 850 C PRO A 56 7.683 -7.787 4.869 1.00 0.00 C ATOM 851 O PRO A 56 8.607 -7.104 5.317 1.00 0.00 O ATOM 852 CB PRO A 56 8.418 -8.038 2.487 1.00 0.00 C ATOM 853 CG PRO A 56 9.117 -6.749 2.193 1.00 0.00 C ATOM 854 CD PRO A 56 8.119 -5.634 2.416 1.00 0.00 C ATOM 0 HA PRO A 56 6.401 -8.333 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.092 -8.750 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.055 -8.505 1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.983 -6.625 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.484 -6.736 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.522 -4.864 3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.852 -5.145 1.479 1.00 0.00 H new ATOM 862 N HIS A 57 7.010 -8.650 5.611 1.00 0.00 N ATOM 863 CA HIS A 57 7.329 -8.844 7.019 1.00 0.00 C ATOM 864 C HIS A 57 8.383 -9.936 7.189 1.00 0.00 C ATOM 865 O HIS A 57 8.236 -10.840 8.016 1.00 0.00 O ATOM 866 CB HIS A 57 6.062 -9.176 7.824 1.00 0.00 C ATOM 867 CG HIS A 57 5.198 -10.243 7.212 1.00 0.00 C ATOM 868 ND1 HIS A 57 5.655 -11.511 6.920 1.00 0.00 N ATOM 869 CD2 HIS A 57 3.897 -10.219 6.831 1.00 0.00 C ATOM 870 CE1 HIS A 57 4.674 -12.222 6.392 1.00 0.00 C ATOM 871 NE2 HIS A 57 3.596 -11.463 6.330 1.00 0.00 N ATOM 0 H HIS A 57 6.242 -9.226 5.266 1.00 0.00 H new ATOM 0 HA HIS A 57 7.741 -7.912 7.406 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.355 -9.493 8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.470 -8.268 7.938 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.603 -11.848 7.086 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.223 -9.379 6.907 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.743 -13.250 6.067 1.00 0.00 H new ATOM 879 N GLU A 58 9.441 -9.845 6.398 1.00 0.00 N ATOM 880 CA GLU A 58 10.523 -10.817 6.449 1.00 0.00 C ATOM 881 C GLU A 58 11.451 -10.542 7.625 1.00 0.00 C ATOM 882 O GLU A 58 12.015 -9.449 7.742 1.00 0.00 O ATOM 883 CB GLU A 58 11.303 -10.823 5.125 1.00 0.00 C ATOM 884 CG GLU A 58 11.883 -9.473 4.722 1.00 0.00 C ATOM 885 CD GLU A 58 12.452 -9.491 3.327 1.00 0.00 C ATOM 886 OE1 GLU A 58 11.693 -9.778 2.384 1.00 0.00 O ATOM 887 OE2 GLU A 58 13.659 -9.219 3.173 1.00 0.00 O ATOM 0 H GLU A 58 9.574 -9.104 5.710 1.00 0.00 H new ATOM 0 HA GLU A 58 10.086 -11.805 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.116 -11.544 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.642 -11.171 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.105 -8.712 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.664 -9.190 5.427 1.00 0.00 H new ATOM 894 N ALA A 59 11.595 -11.548 8.490 1.00 0.00 N ATOM 895 CA ALA A 59 12.443 -11.461 9.677 1.00 0.00 C ATOM 896 C ALA A 59 12.046 -10.288 10.560 1.00 0.00 C ATOM 897 O ALA A 59 10.979 -10.364 11.193 1.00 0.00 O ATOM 898 CB ALA A 59 13.909 -11.367 9.287 1.00 0.00 C ATOM 0 H ALA A 59 11.125 -12.447 8.385 1.00 0.00 H new ATOM 0 HA ALA A 59 12.297 -12.374 10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.521 -11.303 10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.192 -12.253 8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.067 -10.478 8.677 1.00 0.00 H new TER 904 ALA A 59