USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 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 12 CYS SG : rot -81:sc= 1.06 USER MOD Set 1.2: A 13 HIS : no HD1:sc= -0.0891 K(o=-1.4,f=-5!) USER MOD Set 1.3: A 30 CYS SG : rot 80:sc= -2.35 USER MOD Set 2.1: A 1 ASP N :NH3+ -132:sc= 0.555 (180deg=-0.463) USER MOD Set 2.2: A 4 GLN : amide:sc= 0 K(o=0.56,f=0.038) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 11 THR OG1 : rot 91:sc= 1.15 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.28) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1.4) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.67! C(o=-3.7!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.357 0.044 0.039 1.00 10.00 N ATOM 2 CA ASP A 1 2.132 0.000 -1.229 1.00 10.00 C ATOM 3 C ASP A 1 1.609 -1.124 -2.095 1.00 10.00 C ATOM 4 O ASP A 1 1.212 -0.876 -3.221 1.00 10.00 O ATOM 5 CB ASP A 1 3.645 -0.185 -1.026 1.00 10.00 C ATOM 6 CG ASP A 1 4.085 0.532 0.232 1.00 10.00 C ATOM 7 OD1 ASP A 1 4.406 1.726 0.129 1.00 10.00 O ATOM 8 OD2 ASP A 1 3.796 -0.071 1.289 1.00 10.00 O ATOM 0 H1 ASP A 1 1.060 1.022 0.230 1.00 10.00 H new ATOM 0 H2 ASP A 1 0.517 -0.563 -0.046 1.00 10.00 H new ATOM 0 H3 ASP A 1 1.952 -0.296 0.821 1.00 10.00 H new ATOM 0 HA ASP A 1 1.996 0.970 -1.708 1.00 10.00 H new ATOM 0 HB2 ASP A 1 3.884 -1.246 -0.953 1.00 10.00 H new ATOM 0 HB3 ASP A 1 4.187 0.206 -1.887 1.00 10.00 H new ATOM 15 N GLU A 2 1.525 -2.330 -1.527 1.00 10.00 N ATOM 16 CA GLU A 2 1.109 -3.560 -2.216 1.00 10.00 C ATOM 17 C GLU A 2 -0.070 -4.182 -1.489 1.00 10.00 C ATOM 18 O GLU A 2 -1.148 -4.295 -2.045 1.00 10.00 O ATOM 19 CB GLU A 2 2.282 -4.551 -2.289 1.00 10.00 C ATOM 20 CG GLU A 2 2.706 -4.815 -3.739 1.00 10.00 C ATOM 21 CD GLU A 2 2.023 -6.088 -4.261 1.00 10.00 C ATOM 22 OE1 GLU A 2 0.784 -6.172 -4.107 1.00 10.00 O ATOM 23 OE2 GLU A 2 2.749 -7.004 -4.698 1.00 10.00 O ATOM 0 H GLU A 2 1.751 -2.485 -0.544 1.00 10.00 H new ATOM 0 HA GLU A 2 0.804 -3.314 -3.233 1.00 10.00 H new ATOM 0 HB2 GLU A 2 3.129 -4.156 -1.728 1.00 10.00 H new ATOM 0 HB3 GLU A 2 1.996 -5.490 -1.816 1.00 10.00 H new ATOM 0 HG2 GLU A 2 2.437 -3.965 -4.366 1.00 10.00 H new ATOM 0 HG3 GLU A 2 3.789 -4.924 -3.796 1.00 10.00 H new ATOM 30 N ALA A 3 0.067 -4.453 -0.187 1.00 10.00 N ATOM 31 CA ALA A 3 -1.020 -5.039 0.597 1.00 10.00 C ATOM 32 C ALA A 3 -2.324 -4.246 0.539 1.00 10.00 C ATOM 33 O ALA A 3 -3.376 -4.843 0.402 1.00 10.00 O ATOM 34 CB ALA A 3 -0.613 -5.133 2.054 1.00 10.00 C ATOM 0 H ALA A 3 0.920 -4.275 0.344 1.00 10.00 H new ATOM 0 HA ALA A 3 -1.200 -6.019 0.155 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -1.427 -5.570 2.632 1.00 10.00 H new ATOM 0 HB2 ALA A 3 0.274 -5.760 2.144 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -0.392 -4.136 2.435 1.00 10.00 H new ATOM 40 N GLN A 4 -2.248 -2.912 0.591 1.00 10.00 N ATOM 41 CA GLN A 4 -3.388 -2.004 0.395 1.00 10.00 C ATOM 42 C GLN A 4 -4.225 -2.327 -0.864 1.00 10.00 C ATOM 43 O GLN A 4 -5.432 -2.131 -0.887 1.00 10.00 O ATOM 44 CB GLN A 4 -2.872 -0.549 0.353 1.00 10.00 C ATOM 45 CG GLN A 4 -2.400 -0.138 -1.056 1.00 10.00 C ATOM 46 CD GLN A 4 -1.589 1.139 -1.117 1.00 10.00 C ATOM 47 OE1 GLN A 4 -1.478 1.915 -0.189 1.00 10.00 O ATOM 48 NE2 GLN A 4 -0.855 1.329 -2.185 1.00 10.00 N ATOM 0 H GLN A 4 -1.373 -2.420 0.775 1.00 10.00 H new ATOM 0 HA GLN A 4 -4.064 -2.142 1.239 1.00 10.00 H new ATOM 0 HB2 GLN A 4 -3.664 0.125 0.680 1.00 10.00 H new ATOM 0 HB3 GLN A 4 -2.048 -0.437 1.057 1.00 10.00 H new ATOM 0 HG2 GLN A 4 -1.803 -0.949 -1.473 1.00 10.00 H new ATOM 0 HG3 GLN A 4 -3.275 -0.025 -1.696 1.00 10.00 H new ATOM 0 HE21 GLN A 4 -0.931 0.690 -2.977 1.00 10.00 H new ATOM 0 HE22 GLN A 4 -0.207 2.116 -2.225 1.00 10.00 H new ATOM 57 N PHE A 5 -3.553 -2.793 -1.920 1.00 10.00 N ATOM 58 CA PHE A 5 -4.095 -3.233 -3.193 1.00 10.00 C ATOM 59 C PHE A 5 -4.445 -4.711 -3.110 1.00 10.00 C ATOM 60 O PHE A 5 -5.542 -5.057 -3.495 1.00 10.00 O ATOM 61 CB PHE A 5 -3.015 -3.068 -4.248 1.00 10.00 C ATOM 62 CG PHE A 5 -3.563 -3.247 -5.621 1.00 10.00 C ATOM 63 CD1 PHE A 5 -3.824 -4.534 -6.134 1.00 10.00 C ATOM 64 CD2 PHE A 5 -3.800 -2.103 -6.383 1.00 10.00 C ATOM 65 CE1 PHE A 5 -4.341 -4.666 -7.428 1.00 10.00 C ATOM 66 CE2 PHE A 5 -4.274 -2.250 -7.685 1.00 10.00 C ATOM 67 CZ PHE A 5 -4.583 -3.519 -8.198 1.00 10.00 C ATOM 0 H PHE A 5 -2.537 -2.876 -1.897 1.00 10.00 H new ATOM 0 HA PHE A 5 -4.983 -2.651 -3.439 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -2.567 -2.078 -4.160 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -2.221 -3.794 -4.074 1.00 10.00 H new ATOM 0 HD1 PHE A 5 -3.627 -5.410 -5.534 1.00 10.00 H new ATOM 0 HD2 PHE A 5 -3.619 -1.121 -5.971 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -4.552 -5.645 -7.831 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -4.405 -1.377 -8.307 1.00 10.00 H new ATOM 0 HZ PHE A 5 -5.008 -3.613 -9.187 1.00 10.00 H new ATOM 77 N LYS A 6 -3.584 -5.588 -2.569 1.00 10.00 N ATOM 78 CA LYS A 6 -3.884 -7.020 -2.383 1.00 10.00 C ATOM 79 C LYS A 6 -5.161 -7.205 -1.575 1.00 10.00 C ATOM 80 O LYS A 6 -5.925 -8.117 -1.851 1.00 10.00 O ATOM 81 CB LYS A 6 -2.695 -7.744 -1.728 1.00 10.00 C ATOM 82 CG LYS A 6 -2.866 -9.274 -1.757 1.00 10.00 C ATOM 83 CD LYS A 6 -1.976 -9.959 -0.716 1.00 10.00 C ATOM 84 CE LYS A 6 -2.452 -11.396 -0.474 1.00 10.00 C ATOM 85 NZ LYS A 6 -1.833 -12.335 -1.437 1.00 10.00 N ATOM 0 H LYS A 6 -2.654 -5.323 -2.246 1.00 10.00 H new ATOM 0 HA LYS A 6 -4.046 -7.467 -3.364 1.00 10.00 H new ATOM 0 HB2 LYS A 6 -1.775 -7.472 -2.245 1.00 10.00 H new ATOM 0 HB3 LYS A 6 -2.591 -7.410 -0.696 1.00 10.00 H new ATOM 0 HG2 LYS A 6 -3.909 -9.528 -1.569 1.00 10.00 H new ATOM 0 HG3 LYS A 6 -2.621 -9.650 -2.750 1.00 10.00 H new ATOM 0 HD2 LYS A 6 -0.941 -9.964 -1.059 1.00 10.00 H new ATOM 0 HD3 LYS A 6 -2.000 -9.398 0.218 1.00 10.00 H new ATOM 0 HE2 LYS A 6 -2.203 -11.698 0.543 1.00 10.00 H new ATOM 0 HE3 LYS A 6 -3.537 -11.442 -0.564 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 -2.174 -13.300 -1.249 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 -2.091 -12.059 -2.406 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 -0.799 -12.307 -1.333 1.00 10.00 H new ATOM 99 N GLU A 7 -5.442 -6.298 -0.651 1.00 10.00 N ATOM 100 CA GLU A 7 -6.668 -6.306 0.119 1.00 10.00 C ATOM 101 C GLU A 7 -7.832 -5.810 -0.706 1.00 10.00 C ATOM 102 O GLU A 7 -8.900 -6.388 -0.596 1.00 10.00 O ATOM 103 CB GLU A 7 -6.543 -5.471 1.397 1.00 10.00 C ATOM 104 CG GLU A 7 -7.507 -5.971 2.486 1.00 10.00 C ATOM 105 CD GLU A 7 -6.841 -5.845 3.860 1.00 10.00 C ATOM 106 OE1 GLU A 7 -6.782 -4.704 4.369 1.00 10.00 O ATOM 107 OE2 GLU A 7 -6.342 -6.881 4.352 1.00 10.00 O ATOM 0 H GLU A 7 -4.815 -5.529 -0.415 1.00 10.00 H new ATOM 0 HA GLU A 7 -6.854 -7.341 0.406 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -5.518 -5.517 1.766 1.00 10.00 H new ATOM 0 HB3 GLU A 7 -6.754 -4.425 1.173 1.00 10.00 H new ATOM 0 HG2 GLU A 7 -8.430 -5.391 2.463 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -7.779 -7.009 2.296 1.00 10.00 H new ATOM 114 N CYS A 8 -7.638 -4.813 -1.568 1.00 10.00 N ATOM 115 CA CYS A 8 -8.681 -4.352 -2.467 1.00 10.00 C ATOM 116 C CYS A 8 -8.959 -5.402 -3.512 1.00 10.00 C ATOM 117 O CYS A 8 -10.104 -5.689 -3.722 1.00 10.00 O ATOM 118 CB CYS A 8 -8.255 -3.057 -3.145 1.00 10.00 C ATOM 119 SG CYS A 8 -9.537 -1.795 -3.365 1.00 10.00 S ATOM 0 H CYS A 8 -6.756 -4.308 -1.659 1.00 10.00 H new ATOM 0 HA CYS A 8 -9.587 -4.170 -1.889 1.00 10.00 H new ATOM 0 HB2 CYS A 8 -7.443 -2.620 -2.564 1.00 10.00 H new ATOM 0 HB3 CYS A 8 -7.848 -3.304 -4.126 1.00 10.00 H new ATOM 124 N TYR A 9 -7.971 -6.043 -4.112 1.00 10.00 N ATOM 125 CA TYR A 9 -8.141 -7.098 -5.095 1.00 10.00 C ATOM 126 C TYR A 9 -8.865 -8.299 -4.516 1.00 10.00 C ATOM 127 O TYR A 9 -9.865 -8.731 -5.075 1.00 10.00 O ATOM 128 CB TYR A 9 -6.751 -7.516 -5.555 1.00 10.00 C ATOM 129 CG TYR A 9 -6.760 -8.301 -6.830 1.00 10.00 C ATOM 130 CD1 TYR A 9 -6.951 -9.700 -6.836 1.00 10.00 C ATOM 131 CD2 TYR A 9 -6.535 -7.603 -8.021 1.00 10.00 C ATOM 132 CE1 TYR A 9 -6.853 -10.408 -8.053 1.00 10.00 C ATOM 133 CE2 TYR A 9 -6.439 -8.314 -9.210 1.00 10.00 C ATOM 134 CZ TYR A 9 -6.581 -9.695 -9.251 1.00 10.00 C ATOM 135 OH TYR A 9 -6.488 -10.239 -10.490 1.00 10.00 O ATOM 0 H TYR A 9 -6.991 -5.835 -3.920 1.00 10.00 H new ATOM 0 HA TYR A 9 -8.746 -6.727 -5.922 1.00 10.00 H new ATOM 0 HB2 TYR A 9 -6.137 -6.625 -5.689 1.00 10.00 H new ATOM 0 HB3 TYR A 9 -6.281 -8.112 -4.773 1.00 10.00 H new ATOM 0 HD1 TYR A 9 -7.170 -10.224 -5.917 1.00 10.00 H new ATOM 0 HD2 TYR A 9 -6.437 -6.527 -8.016 1.00 10.00 H new ATOM 0 HE1 TYR A 9 -6.983 -11.480 -8.073 1.00 10.00 H new ATOM 0 HE2 TYR A 9 -6.249 -7.778 -10.128 1.00 10.00 H new ATOM 0 HH TYR A 9 -6.295 -9.534 -11.143 1.00 10.00 H new ATOM 145 N ASP A 10 -8.381 -8.832 -3.390 1.00 10.00 N ATOM 146 CA ASP A 10 -8.985 -9.991 -2.726 1.00 10.00 C ATOM 147 C ASP A 10 -10.421 -9.678 -2.297 1.00 10.00 C ATOM 148 O ASP A 10 -11.384 -10.374 -2.629 1.00 10.00 O ATOM 149 CB ASP A 10 -8.149 -10.374 -1.489 1.00 10.00 C ATOM 150 CG ASP A 10 -8.209 -11.856 -1.124 1.00 10.00 C ATOM 151 OD1 ASP A 10 -9.005 -12.598 -1.747 1.00 10.00 O ATOM 152 OD2 ASP A 10 -7.396 -12.243 -0.256 1.00 10.00 O ATOM 0 H ASP A 10 -7.556 -8.470 -2.912 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.003 -10.824 -3.429 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -7.110 -10.098 -1.668 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -8.493 -9.788 -0.637 1.00 10.00 H new ATOM 157 N THR A 11 -10.575 -8.560 -1.588 1.00 10.00 N ATOM 158 CA THR A 11 -11.863 -8.097 -1.074 1.00 10.00 C ATOM 159 C THR A 11 -12.805 -7.723 -2.210 1.00 10.00 C ATOM 160 O THR A 11 -13.956 -8.147 -2.193 1.00 10.00 O ATOM 161 CB THR A 11 -11.694 -6.911 -0.122 1.00 10.00 C ATOM 162 OG1 THR A 11 -10.852 -7.304 0.929 1.00 10.00 O ATOM 163 CG2 THR A 11 -12.975 -6.426 0.539 1.00 10.00 C ATOM 0 H THR A 11 -9.798 -7.943 -1.352 1.00 10.00 H new ATOM 0 HA THR A 11 -12.301 -8.924 -0.515 1.00 10.00 H new ATOM 0 HB THR A 11 -11.306 -6.101 -0.740 1.00 10.00 H new ATOM 0 HG1 THR A 11 -9.922 -7.098 0.698 1.00 10.00 H new ATOM 0 HG21 THR A 11 -12.750 -5.584 1.194 1.00 10.00 H new ATOM 0 HG22 THR A 11 -13.683 -6.111 -0.227 1.00 10.00 H new ATOM 0 HG23 THR A 11 -13.411 -7.235 1.125 1.00 10.00 H new ATOM 171 N CYS A 12 -12.327 -7.000 -3.222 1.00 10.00 N ATOM 172 CA CYS A 12 -13.078 -6.686 -4.430 1.00 10.00 C ATOM 173 C CYS A 12 -13.508 -7.991 -5.067 1.00 10.00 C ATOM 174 O CYS A 12 -14.690 -8.165 -5.296 1.00 10.00 O ATOM 175 CB CYS A 12 -12.298 -5.798 -5.410 1.00 10.00 C ATOM 176 SG CYS A 12 -13.270 -5.174 -6.793 1.00 10.00 S ATOM 0 H CYS A 12 -11.385 -6.609 -3.222 1.00 10.00 H new ATOM 0 HA CYS A 12 -13.953 -6.096 -4.158 1.00 10.00 H new ATOM 0 HB2 CYS A 12 -11.884 -4.951 -4.862 1.00 10.00 H new ATOM 0 HB3 CYS A 12 -11.455 -6.366 -5.803 1.00 10.00 H new ATOM 0 HG CYS A 12 -13.362 -6.093 -7.708 1.00 10.00 H new ATOM 181 N HIS A 13 -12.622 -8.989 -5.206 1.00 10.00 N ATOM 182 CA HIS A 13 -12.960 -10.314 -5.731 1.00 10.00 C ATOM 183 C HIS A 13 -14.109 -10.956 -4.983 1.00 10.00 C ATOM 184 O HIS A 13 -14.888 -11.652 -5.612 1.00 10.00 O ATOM 185 CB HIS A 13 -11.767 -11.267 -5.692 1.00 10.00 C ATOM 186 CG HIS A 13 -11.773 -12.278 -6.804 1.00 10.00 C ATOM 187 ND1 HIS A 13 -11.679 -13.640 -6.632 1.00 10.00 N ATOM 188 CD2 HIS A 13 -11.769 -12.002 -8.142 1.00 10.00 C ATOM 189 CE1 HIS A 13 -11.641 -14.198 -7.861 1.00 10.00 C ATOM 190 NE2 HIS A 13 -11.709 -13.221 -8.795 1.00 10.00 N ATOM 0 H HIS A 13 -11.639 -8.894 -4.953 1.00 10.00 H new ATOM 0 HA HIS A 13 -13.258 -10.145 -6.766 1.00 10.00 H new ATOM 0 HB2 HIS A 13 -10.846 -10.686 -5.744 1.00 10.00 H new ATOM 0 HB3 HIS A 13 -11.761 -11.790 -4.736 1.00 10.00 H new ATOM 0 HD2 HIS A 13 -11.805 -11.025 -8.600 1.00 10.00 H new ATOM 0 HE1 HIS A 13 -11.568 -15.256 -8.066 1.00 10.00 H new ATOM 0 HE2 HIS A 13 -11.715 -13.359 -9.806 1.00 10.00 H new ATOM 199 N LYS A 14 -14.210 -10.758 -3.670 1.00 10.00 N ATOM 200 CA LYS A 14 -15.355 -11.213 -2.882 1.00 10.00 C ATOM 201 C LYS A 14 -16.672 -10.612 -3.371 1.00 10.00 C ATOM 202 O LYS A 14 -17.473 -11.357 -3.915 1.00 10.00 O ATOM 203 CB LYS A 14 -15.116 -10.909 -1.410 1.00 10.00 C ATOM 204 CG LYS A 14 -16.128 -11.641 -0.528 1.00 10.00 C ATOM 205 CD LYS A 14 -16.897 -10.675 0.391 1.00 10.00 C ATOM 206 CE LYS A 14 -16.960 -11.241 1.808 1.00 10.00 C ATOM 207 NZ LYS A 14 -15.836 -10.712 2.627 1.00 10.00 N ATOM 0 H LYS A 14 -13.498 -10.276 -3.121 1.00 10.00 H new ATOM 0 HA LYS A 14 -15.448 -12.291 -3.011 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -14.105 -11.207 -1.133 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -15.190 -9.835 -1.240 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -16.834 -12.181 -1.158 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -15.610 -12.383 0.079 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -16.407 -9.702 0.401 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -17.905 -10.520 0.007 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -17.911 -10.977 2.270 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -16.913 -12.329 1.774 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -15.892 -11.105 3.588 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -14.931 -10.985 2.193 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -15.898 -9.675 2.673 1.00 10.00 H new ATOM 221 N GLU A 15 -16.887 -9.306 -3.197 1.00 10.00 N ATOM 222 CA GLU A 15 -18.068 -8.600 -3.743 1.00 10.00 C ATOM 223 C GLU A 15 -18.201 -8.728 -5.279 1.00 10.00 C ATOM 224 O GLU A 15 -19.278 -8.654 -5.856 1.00 10.00 O ATOM 225 CB GLU A 15 -18.012 -7.121 -3.329 1.00 10.00 C ATOM 226 CG GLU A 15 -19.343 -6.407 -3.621 1.00 10.00 C ATOM 227 CD GLU A 15 -19.217 -5.344 -4.729 1.00 10.00 C ATOM 228 OE1 GLU A 15 -19.088 -5.714 -5.917 1.00 10.00 O ATOM 229 OE2 GLU A 15 -19.264 -4.148 -4.363 1.00 10.00 O ATOM 0 H GLU A 15 -16.253 -8.701 -2.675 1.00 10.00 H new ATOM 0 HA GLU A 15 -18.954 -9.077 -3.323 1.00 10.00 H new ATOM 0 HB2 GLU A 15 -17.783 -7.047 -2.266 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -17.204 -6.622 -3.864 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -20.090 -7.145 -3.914 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -19.704 -5.933 -2.708 1.00 10.00 H new ATOM 236 N CYS A 16 -17.109 -9.061 -5.955 1.00 10.00 N ATOM 237 CA CYS A 16 -17.097 -9.265 -7.381 1.00 10.00 C ATOM 238 C CYS A 16 -17.689 -10.617 -7.744 1.00 10.00 C ATOM 239 O CYS A 16 -18.682 -10.702 -8.447 1.00 10.00 O ATOM 240 CB CYS A 16 -15.692 -9.175 -7.948 1.00 10.00 C ATOM 241 SG CYS A 16 -15.711 -9.211 -9.757 1.00 10.00 S ATOM 0 H CYS A 16 -16.199 -9.197 -5.514 1.00 10.00 H new ATOM 0 HA CYS A 16 -17.705 -8.472 -7.816 1.00 10.00 H new ATOM 0 HB2 CYS A 16 -15.217 -8.256 -7.605 1.00 10.00 H new ATOM 0 HB3 CYS A 16 -15.092 -10.003 -7.572 1.00 10.00 H new ATOM 246 N SER A 17 -17.034 -11.712 -7.342 1.00 10.00 N ATOM 247 CA SER A 17 -17.503 -13.087 -7.538 1.00 10.00 C ATOM 248 C SER A 17 -18.871 -13.314 -6.895 1.00 10.00 C ATOM 249 O SER A 17 -19.554 -14.243 -7.311 1.00 10.00 O ATOM 250 CB SER A 17 -16.544 -14.099 -6.897 1.00 10.00 C ATOM 251 OG SER A 17 -16.138 -15.134 -7.773 1.00 10.00 O ATOM 0 H SER A 17 -16.138 -11.664 -6.858 1.00 10.00 H new ATOM 0 HA SER A 17 -17.558 -13.231 -8.617 1.00 10.00 H new ATOM 0 HB2 SER A 17 -15.660 -13.571 -6.538 1.00 10.00 H new ATOM 0 HB3 SER A 17 -17.027 -14.541 -6.026 1.00 10.00 H new ATOM 0 HG SER A 17 -15.529 -15.740 -7.303 1.00 10.00 H new ATOM 257 N ASP A 18 -19.271 -12.485 -5.918 1.00 10.00 N ATOM 258 CA ASP A 18 -20.634 -12.407 -5.360 1.00 10.00 C ATOM 259 C ASP A 18 -21.685 -12.200 -6.452 1.00 10.00 C ATOM 260 O ASP A 18 -22.734 -12.840 -6.426 1.00 10.00 O ATOM 261 CB ASP A 18 -20.736 -11.266 -4.335 1.00 10.00 C ATOM 262 CG ASP A 18 -22.177 -10.781 -4.093 1.00 10.00 C ATOM 263 OD1 ASP A 18 -22.962 -11.586 -3.550 1.00 10.00 O ATOM 264 OD2 ASP A 18 -22.470 -9.613 -4.431 1.00 10.00 O ATOM 0 H ASP A 18 -18.631 -11.825 -5.477 1.00 10.00 H new ATOM 0 HA ASP A 18 -20.831 -13.360 -4.869 1.00 10.00 H new ATOM 0 HB2 ASP A 18 -20.310 -11.600 -3.389 1.00 10.00 H new ATOM 0 HB3 ASP A 18 -20.132 -10.426 -4.678 1.00 10.00 H new ATOM 269 N LYS A 19 -21.369 -11.418 -7.496 1.00 10.00 N ATOM 270 CA LYS A 19 -22.234 -11.253 -8.658 1.00 10.00 C ATOM 271 C LYS A 19 -22.558 -12.558 -9.385 1.00 10.00 C ATOM 272 O LYS A 19 -23.416 -12.570 -10.267 1.00 10.00 O ATOM 273 CB LYS A 19 -21.617 -10.200 -9.599 1.00 10.00 C ATOM 274 CG LYS A 19 -22.358 -8.864 -9.523 1.00 10.00 C ATOM 275 CD LYS A 19 -23.082 -8.565 -10.842 1.00 10.00 C ATOM 276 CE LYS A 19 -24.483 -8.036 -10.556 1.00 10.00 C ATOM 277 NZ LYS A 19 -24.451 -6.583 -10.269 1.00 10.00 N ATOM 0 H LYS A 19 -20.502 -10.884 -7.551 1.00 10.00 H new ATOM 0 HA LYS A 19 -23.202 -10.902 -8.300 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -20.569 -10.050 -9.338 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -21.641 -10.571 -10.624 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -23.078 -8.889 -8.705 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -21.652 -8.064 -9.301 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -22.518 -7.832 -11.419 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -23.142 -9.469 -11.447 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -25.130 -8.228 -11.412 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -24.911 -8.569 -9.707 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -25.416 -6.246 -10.077 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -23.851 -6.406 -9.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -24.063 -6.075 -11.090 1.00 10.00 H new ATOM 291 N GLY A 20 -21.839 -13.623 -9.039 1.00 10.00 N ATOM 292 CA GLY A 20 -21.944 -14.967 -9.584 1.00 10.00 C ATOM 293 C GLY A 20 -21.197 -15.083 -10.906 1.00 10.00 C ATOM 294 O GLY A 20 -21.458 -15.981 -11.701 1.00 10.00 O ATOM 0 H GLY A 20 -21.118 -13.561 -8.320 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -21.540 -15.685 -8.870 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -22.993 -15.222 -9.732 1.00 10.00 H new ATOM 298 N ASN A 21 -20.289 -14.139 -11.173 1.00 10.00 N ATOM 299 CA ASN A 21 -19.462 -14.150 -12.363 1.00 10.00 C ATOM 300 C ASN A 21 -18.311 -15.157 -12.256 1.00 10.00 C ATOM 301 O ASN A 21 -18.047 -15.768 -11.221 1.00 10.00 O ATOM 302 CB ASN A 21 -18.973 -12.727 -12.655 1.00 10.00 C ATOM 303 CG ASN A 21 -19.768 -12.068 -13.762 1.00 10.00 C ATOM 304 OD1 ASN A 21 -19.998 -12.614 -14.824 1.00 10.00 O ATOM 305 ND2 ASN A 21 -20.119 -10.823 -13.578 1.00 10.00 N ATOM 0 H ASN A 21 -20.113 -13.344 -10.559 1.00 10.00 H new ATOM 0 HA ASN A 21 -20.064 -14.486 -13.207 1.00 10.00 H new ATOM 0 HB2 ASN A 21 -19.047 -12.126 -11.749 1.00 10.00 H new ATOM 0 HB3 ASN A 21 -17.920 -12.756 -12.934 1.00 10.00 H new ATOM 0 HD21 ASN A 21 -20.586 -10.309 -14.325 1.00 10.00 H new ATOM 0 HD22 ASN A 21 -19.926 -10.365 -12.687 1.00 10.00 H new ATOM 312 N GLY A 22 -17.547 -15.268 -13.341 1.00 10.00 N ATOM 313 CA GLY A 22 -16.336 -16.080 -13.346 1.00 10.00 C ATOM 314 C GLY A 22 -15.190 -15.409 -12.605 1.00 10.00 C ATOM 315 O GLY A 22 -15.031 -14.191 -12.669 1.00 10.00 O ATOM 0 H GLY A 22 -17.747 -14.805 -14.228 1.00 10.00 H new ATOM 0 HA2 GLY A 22 -16.547 -17.046 -12.887 1.00 10.00 H new ATOM 0 HA3 GLY A 22 -16.036 -16.275 -14.376 1.00 10.00 H new ATOM 319 N PHE A 23 -14.322 -16.225 -12.002 1.00 10.00 N ATOM 320 CA PHE A 23 -13.167 -15.791 -11.225 1.00 10.00 C ATOM 321 C PHE A 23 -12.255 -14.895 -12.028 1.00 10.00 C ATOM 322 O PHE A 23 -12.017 -13.789 -11.575 1.00 10.00 O ATOM 323 CB PHE A 23 -12.350 -16.999 -10.774 1.00 10.00 C ATOM 324 CG PHE A 23 -13.179 -18.094 -10.170 1.00 10.00 C ATOM 325 CD1 PHE A 23 -13.738 -17.923 -8.893 1.00 10.00 C ATOM 326 CD2 PHE A 23 -13.430 -19.258 -10.919 1.00 10.00 C ATOM 327 CE1 PHE A 23 -14.526 -18.945 -8.344 1.00 10.00 C ATOM 328 CE2 PHE A 23 -14.220 -20.278 -10.368 1.00 10.00 C ATOM 329 CZ PHE A 23 -14.760 -20.122 -9.079 1.00 10.00 C ATOM 0 H PHE A 23 -14.410 -17.240 -12.045 1.00 10.00 H new ATOM 0 HA PHE A 23 -13.554 -15.239 -10.368 1.00 10.00 H new ATOM 0 HB2 PHE A 23 -11.804 -17.398 -11.629 1.00 10.00 H new ATOM 0 HB3 PHE A 23 -11.607 -16.673 -10.046 1.00 10.00 H new ATOM 0 HD1 PHE A 23 -13.563 -17.013 -8.339 1.00 10.00 H new ATOM 0 HD2 PHE A 23 -13.017 -19.366 -11.911 1.00 10.00 H new ATOM 0 HE1 PHE A 23 -14.953 -18.829 -7.359 1.00 10.00 H new ATOM 0 HE2 PHE A 23 -14.413 -21.179 -10.931 1.00 10.00 H new ATOM 0 HZ PHE A 23 -15.359 -20.912 -8.650 1.00 10.00 H new ATOM 339 N THR A 24 -11.786 -15.376 -13.186 1.00 10.00 N ATOM 340 CA THR A 24 -10.914 -14.666 -14.129 1.00 10.00 C ATOM 341 C THR A 24 -11.467 -13.303 -14.477 1.00 10.00 C ATOM 342 O THR A 24 -10.798 -12.304 -14.280 1.00 10.00 O ATOM 343 CB THR A 24 -10.694 -15.493 -15.409 1.00 10.00 C ATOM 344 OG1 THR A 24 -9.507 -16.209 -15.217 1.00 10.00 O ATOM 345 CG2 THR A 24 -10.646 -14.684 -16.719 1.00 10.00 C ATOM 0 H THR A 24 -12.016 -16.317 -13.506 1.00 10.00 H new ATOM 0 HA THR A 24 -9.952 -14.526 -13.636 1.00 10.00 H new ATOM 0 HB THR A 24 -11.560 -16.140 -15.548 1.00 10.00 H new ATOM 0 HG1 THR A 24 -9.323 -16.756 -16.009 1.00 10.00 H new ATOM 0 HG21 THR A 24 -10.487 -15.360 -17.559 1.00 10.00 H new ATOM 0 HG22 THR A 24 -11.589 -14.153 -16.854 1.00 10.00 H new ATOM 0 HG23 THR A 24 -9.828 -13.965 -16.673 1.00 10.00 H new ATOM 353 N PHE A 25 -12.690 -13.253 -15.004 1.00 10.00 N ATOM 354 CA PHE A 25 -13.356 -12.001 -15.319 1.00 10.00 C ATOM 355 C PHE A 25 -13.388 -11.090 -14.108 1.00 10.00 C ATOM 356 O PHE A 25 -13.017 -9.933 -14.224 1.00 10.00 O ATOM 357 CB PHE A 25 -14.776 -12.315 -15.770 1.00 10.00 C ATOM 358 CG PHE A 25 -15.679 -11.101 -15.798 1.00 10.00 C ATOM 359 CD1 PHE A 25 -15.613 -10.195 -16.871 1.00 10.00 C ATOM 360 CD2 PHE A 25 -16.532 -10.839 -14.711 1.00 10.00 C ATOM 361 CE1 PHE A 25 -16.457 -9.070 -16.893 1.00 10.00 C ATOM 362 CE2 PHE A 25 -17.351 -9.699 -14.720 1.00 10.00 C ATOM 363 CZ PHE A 25 -17.340 -8.834 -15.824 1.00 10.00 C ATOM 0 H PHE A 25 -13.242 -14.082 -15.223 1.00 10.00 H new ATOM 0 HA PHE A 25 -12.811 -11.487 -16.111 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -14.744 -12.758 -16.765 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -15.205 -13.062 -15.102 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -14.915 -10.363 -17.678 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -16.557 -11.515 -13.869 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -16.427 -8.388 -17.730 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -17.990 -9.488 -13.876 1.00 10.00 H new ATOM 0 HZ PHE A 25 -18.009 -7.987 -15.853 1.00 10.00 H new ATOM 373 N CYS A 26 -13.786 -11.628 -12.957 1.00 10.00 N ATOM 374 CA CYS A 26 -13.768 -10.898 -11.725 1.00 10.00 C ATOM 375 C CYS A 26 -12.386 -10.406 -11.361 1.00 10.00 C ATOM 376 O CYS A 26 -12.280 -9.312 -10.866 1.00 10.00 O ATOM 377 CB CYS A 26 -14.355 -11.751 -10.608 1.00 10.00 C ATOM 378 SG CYS A 26 -16.017 -11.167 -10.292 1.00 10.00 S ATOM 0 H CYS A 26 -14.128 -12.585 -12.869 1.00 10.00 H new ATOM 0 HA CYS A 26 -14.385 -10.009 -11.861 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -14.367 -12.802 -10.896 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -13.745 -11.674 -9.708 1.00 10.00 H new ATOM 383 N GLU A 27 -11.345 -11.185 -11.607 1.00 10.00 N ATOM 384 CA GLU A 27 -9.944 -10.859 -11.404 1.00 10.00 C ATOM 385 C GLU A 27 -9.504 -9.742 -12.325 1.00 10.00 C ATOM 386 O GLU A 27 -9.330 -8.645 -11.834 1.00 10.00 O ATOM 387 CB GLU A 27 -9.062 -12.098 -11.630 1.00 10.00 C ATOM 388 CG GLU A 27 -8.437 -12.566 -10.325 1.00 10.00 C ATOM 389 CD GLU A 27 -7.036 -13.196 -10.477 1.00 10.00 C ATOM 390 OE1 GLU A 27 -6.327 -12.947 -11.479 1.00 10.00 O ATOM 391 OE2 GLU A 27 -6.685 -13.943 -9.541 1.00 10.00 O ATOM 0 H GLU A 27 -11.466 -12.127 -11.980 1.00 10.00 H new ATOM 0 HA GLU A 27 -9.829 -10.523 -10.374 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -9.660 -12.901 -12.060 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -8.278 -11.864 -12.350 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -8.368 -11.717 -9.645 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -9.101 -13.295 -9.859 1.00 10.00 H new ATOM 398 N MET A 28 -9.441 -9.967 -13.642 1.00 10.00 N ATOM 399 CA MET A 28 -9.070 -8.970 -14.656 1.00 10.00 C ATOM 400 C MET A 28 -9.822 -7.649 -14.486 1.00 10.00 C ATOM 401 O MET A 28 -9.347 -6.587 -14.884 1.00 10.00 O ATOM 402 CB MET A 28 -9.398 -9.533 -16.050 1.00 10.00 C ATOM 403 CG MET A 28 -8.163 -9.677 -16.925 1.00 10.00 C ATOM 404 SD MET A 28 -8.436 -10.889 -18.247 1.00 10.00 S ATOM 405 CE MET A 28 -7.551 -10.088 -19.601 1.00 10.00 C ATOM 0 H MET A 28 -9.654 -10.879 -14.046 1.00 10.00 H new ATOM 0 HA MET A 28 -8.005 -8.769 -14.539 1.00 10.00 H new ATOM 0 HB2 MET A 28 -9.878 -10.506 -15.942 1.00 10.00 H new ATOM 0 HB3 MET A 28 -10.115 -8.877 -16.544 1.00 10.00 H new ATOM 0 HG2 MET A 28 -7.907 -8.711 -17.360 1.00 10.00 H new ATOM 0 HG3 MET A 28 -7.315 -9.986 -16.314 1.00 10.00 H new ATOM 0 HE1 MET A 28 -7.620 -10.706 -20.496 1.00 10.00 H new ATOM 0 HE2 MET A 28 -7.994 -9.112 -19.798 1.00 10.00 H new ATOM 0 HE3 MET A 28 -6.504 -9.962 -19.327 1.00 10.00 H new ATOM 415 N LYS A 29 -11.040 -7.730 -13.937 1.00 10.00 N ATOM 416 CA LYS A 29 -11.835 -6.579 -13.562 1.00 10.00 C ATOM 417 C LYS A 29 -11.416 -5.976 -12.238 1.00 10.00 C ATOM 418 O LYS A 29 -11.019 -4.831 -12.293 1.00 10.00 O ATOM 419 CB LYS A 29 -13.314 -6.916 -13.543 1.00 10.00 C ATOM 420 CG LYS A 29 -14.115 -5.647 -13.857 1.00 10.00 C ATOM 421 CD LYS A 29 -14.754 -5.805 -15.243 1.00 10.00 C ATOM 422 CE LYS A 29 -14.917 -4.443 -15.911 1.00 10.00 C ATOM 423 NZ LYS A 29 -15.005 -4.593 -17.383 1.00 10.00 N ATOM 0 H LYS A 29 -11.500 -8.619 -13.742 1.00 10.00 H new ATOM 0 HA LYS A 29 -11.653 -5.825 -14.328 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -13.534 -7.692 -14.276 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -13.599 -7.310 -12.567 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -14.884 -5.488 -13.101 1.00 10.00 H new ATOM 0 HG3 LYS A 29 -13.464 -4.773 -13.838 1.00 10.00 H new ATOM 0 HD2 LYS A 29 -14.134 -6.451 -15.865 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -15.726 -6.290 -15.150 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -15.815 -3.952 -15.535 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -14.073 -3.803 -15.655 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 -15.116 -3.656 -17.821 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 -14.137 -5.041 -17.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -15.825 -5.187 -17.623 1.00 10.00 H new ATOM 437 N CYS A 30 -11.501 -6.695 -11.117 1.00 10.00 N ATOM 438 CA CYS A 30 -11.020 -6.304 -9.785 1.00 10.00 C ATOM 439 C CYS A 30 -9.589 -5.749 -9.799 1.00 10.00 C ATOM 440 O CYS A 30 -9.235 -4.920 -8.966 1.00 10.00 O ATOM 441 CB CYS A 30 -11.029 -7.520 -8.855 1.00 10.00 C ATOM 442 SG CYS A 30 -12.651 -8.040 -8.285 1.00 10.00 S ATOM 0 H CYS A 30 -11.932 -7.620 -11.111 1.00 10.00 H new ATOM 0 HA CYS A 30 -11.693 -5.519 -9.439 1.00 10.00 H new ATOM 0 HB2 CYS A 30 -10.559 -8.356 -9.373 1.00 10.00 H new ATOM 0 HB3 CYS A 30 -10.411 -7.296 -7.985 1.00 10.00 H new ATOM 0 HG CYS A 30 -13.235 -8.735 -9.215 1.00 10.00 H new ATOM 447 N ASP A 31 -8.794 -6.193 -10.773 1.00 10.00 N ATOM 448 CA ASP A 31 -7.456 -5.713 -11.072 1.00 10.00 C ATOM 449 C ASP A 31 -7.497 -4.249 -11.457 1.00 10.00 C ATOM 450 O ASP A 31 -6.970 -3.393 -10.767 1.00 10.00 O ATOM 451 CB ASP A 31 -6.825 -6.534 -12.223 1.00 10.00 C ATOM 452 CG ASP A 31 -5.298 -6.607 -12.142 1.00 10.00 C ATOM 453 OD1 ASP A 31 -4.718 -6.114 -11.149 1.00 10.00 O ATOM 454 OD2 ASP A 31 -4.724 -7.182 -13.091 1.00 10.00 O ATOM 0 H ASP A 31 -9.088 -6.937 -11.405 1.00 10.00 H new ATOM 0 HA ASP A 31 -6.845 -5.833 -10.177 1.00 10.00 H new ATOM 0 HB2 ASP A 31 -7.232 -7.545 -12.206 1.00 10.00 H new ATOM 0 HB3 ASP A 31 -7.111 -6.091 -13.177 1.00 10.00 H new ATOM 459 N THR A 32 -8.175 -3.944 -12.562 1.00 10.00 N ATOM 460 CA THR A 32 -8.350 -2.572 -13.026 1.00 10.00 C ATOM 461 C THR A 32 -9.317 -1.776 -12.143 1.00 10.00 C ATOM 462 O THR A 32 -9.246 -0.556 -12.155 1.00 10.00 O ATOM 463 CB THR A 32 -8.792 -2.585 -14.502 1.00 10.00 C ATOM 464 OG1 THR A 32 -7.654 -2.543 -15.325 1.00 10.00 O ATOM 465 CG2 THR A 32 -9.606 -1.377 -14.957 1.00 10.00 C ATOM 0 H THR A 32 -8.618 -4.642 -13.160 1.00 10.00 H new ATOM 0 HA THR A 32 -7.393 -2.057 -12.950 1.00 10.00 H new ATOM 0 HB THR A 32 -9.403 -3.484 -14.582 1.00 10.00 H new ATOM 0 HG1 THR A 32 -7.930 -2.553 -16.265 1.00 10.00 H new ATOM 0 HG21 THR A 32 -9.864 -1.488 -16.010 1.00 10.00 H new ATOM 0 HG22 THR A 32 -10.518 -1.309 -14.365 1.00 10.00 H new ATOM 0 HG23 THR A 32 -9.017 -0.470 -14.822 1.00 10.00 H new ATOM 473 N ASP A 33 -10.218 -2.430 -11.409 1.00 10.00 N ATOM 474 CA ASP A 33 -11.202 -1.835 -10.508 1.00 10.00 C ATOM 475 C ASP A 33 -10.495 -0.954 -9.482 1.00 10.00 C ATOM 476 O ASP A 33 -10.533 0.279 -9.556 1.00 10.00 O ATOM 477 CB ASP A 33 -12.002 -2.935 -9.796 1.00 10.00 C ATOM 478 CG ASP A 33 -12.931 -2.341 -8.740 1.00 10.00 C ATOM 479 OD1 ASP A 33 -14.071 -1.999 -9.124 1.00 10.00 O ATOM 480 OD2 ASP A 33 -12.475 -2.210 -7.585 1.00 10.00 O ATOM 0 H ASP A 33 -10.283 -3.448 -11.430 1.00 10.00 H new ATOM 0 HA ASP A 33 -11.892 -1.223 -11.090 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -12.587 -3.495 -10.526 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -11.317 -3.642 -9.327 1.00 10.00 H new ATOM 485 N CYS A 34 -9.770 -1.600 -8.565 1.00 10.00 N ATOM 486 CA CYS A 34 -9.010 -0.924 -7.531 1.00 10.00 C ATOM 487 C CYS A 34 -7.670 -0.439 -8.086 1.00 10.00 C ATOM 488 O CYS A 34 -6.624 -0.594 -7.465 1.00 10.00 O ATOM 489 CB CYS A 34 -8.818 -1.830 -6.311 1.00 10.00 C ATOM 490 SG CYS A 34 -10.258 -2.103 -5.246 1.00 10.00 S ATOM 0 H CYS A 34 -9.699 -2.617 -8.526 1.00 10.00 H new ATOM 0 HA CYS A 34 -9.573 -0.051 -7.202 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -8.470 -2.801 -6.663 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -8.021 -1.408 -5.699 1.00 10.00 H new ATOM 495 N SER A 35 -7.703 0.214 -9.240 1.00 10.00 N ATOM 496 CA SER A 35 -6.542 0.740 -9.930 1.00 10.00 C ATOM 497 C SER A 35 -7.009 1.879 -10.832 1.00 10.00 C ATOM 498 O SER A 35 -7.421 1.681 -11.976 1.00 10.00 O ATOM 499 CB SER A 35 -5.861 -0.336 -10.772 1.00 10.00 C ATOM 500 OG SER A 35 -4.481 -0.302 -10.467 1.00 10.00 O ATOM 0 H SER A 35 -8.575 0.397 -9.737 1.00 10.00 H new ATOM 0 HA SER A 35 -5.816 1.093 -9.198 1.00 10.00 H new ATOM 0 HB2 SER A 35 -6.279 -1.318 -10.551 1.00 10.00 H new ATOM 0 HB3 SER A 35 -6.024 -0.152 -11.834 1.00 10.00 H new ATOM 0 HG SER A 35 -4.013 -0.985 -10.992 1.00 10.00 H new ATOM 506 N VAL A 36 -6.991 3.101 -10.305 1.00 10.00 N ATOM 507 CA VAL A 36 -7.284 4.311 -11.068 1.00 10.00 C ATOM 508 C VAL A 36 -6.309 4.481 -12.239 1.00 10.00 C ATOM 509 O VAL A 36 -5.448 3.649 -12.542 1.00 10.00 O ATOM 510 CB VAL A 36 -7.297 5.546 -10.138 1.00 10.00 C ATOM 511 CG1 VAL A 36 -5.884 6.137 -9.927 1.00 10.00 C ATOM 512 CG2 VAL A 36 -8.310 6.612 -10.615 1.00 10.00 C ATOM 0 H VAL A 36 -6.770 3.280 -9.326 1.00 10.00 H new ATOM 0 HA VAL A 36 -8.280 4.214 -11.501 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.634 5.201 -9.161 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -5.946 7.002 -9.267 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -5.238 5.383 -9.477 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.470 6.443 -10.888 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -8.289 7.464 -9.935 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -8.045 6.943 -11.619 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -9.312 6.182 -10.627 1.00 10.00 H new ATOM 522 N LYS A 37 -6.378 5.639 -12.875 1.00 10.00 N ATOM 523 CA LYS A 37 -5.446 5.959 -13.941 1.00 10.00 C ATOM 524 C LYS A 37 -5.398 7.455 -14.166 1.00 10.00 C ATOM 525 O LYS A 37 -6.222 7.990 -14.892 1.00 10.00 O ATOM 526 CB LYS A 37 -5.868 5.154 -15.186 1.00 10.00 C ATOM 527 CG LYS A 37 -4.705 4.288 -15.677 1.00 10.00 C ATOM 528 CD LYS A 37 -4.882 3.986 -17.165 1.00 10.00 C ATOM 529 CE LYS A 37 -3.530 3.675 -17.802 1.00 10.00 C ATOM 530 NZ LYS A 37 -3.157 2.253 -17.607 1.00 10.00 N ATOM 0 H LYS A 37 -7.064 6.367 -12.673 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.425 5.675 -13.685 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -6.724 4.523 -14.947 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -6.184 5.834 -15.977 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -3.759 4.803 -15.510 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.666 3.358 -15.109 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -5.557 3.140 -17.294 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.341 4.839 -17.665 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -3.567 3.901 -18.868 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -2.764 4.317 -17.367 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -2.234 2.072 -18.051 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -3.099 2.046 -16.590 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -3.877 1.642 -18.044 1.00 10.00 H new ATOM 544 N ASP A 38 -4.450 8.120 -13.517 1.00 10.00 N ATOM 545 CA ASP A 38 -4.303 9.569 -13.627 1.00 10.00 C ATOM 546 C ASP A 38 -2.843 9.940 -13.434 1.00 10.00 C ATOM 547 O ASP A 38 -2.239 9.582 -12.423 1.00 10.00 O ATOM 548 CB ASP A 38 -5.150 10.282 -12.560 1.00 10.00 C ATOM 549 CG ASP A 38 -5.646 11.645 -13.050 1.00 10.00 C ATOM 550 OD1 ASP A 38 -6.083 11.717 -14.218 1.00 10.00 O ATOM 551 OD2 ASP A 38 -5.514 12.617 -12.274 1.00 10.00 O ATOM 0 H ASP A 38 -3.766 7.676 -12.904 1.00 10.00 H new ATOM 0 HA ASP A 38 -4.644 9.882 -14.614 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -6.003 9.658 -12.295 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -4.559 10.414 -11.654 1.00 10.00 H new ATOM 556 N VAL A 39 -2.254 10.617 -14.413 1.00 10.00 N ATOM 557 CA VAL A 39 -0.852 11.041 -14.380 1.00 10.00 C ATOM 558 C VAL A 39 -0.833 12.489 -14.839 1.00 10.00 C ATOM 559 O VAL A 39 -0.543 12.780 -15.996 1.00 10.00 O ATOM 560 CB VAL A 39 0.037 10.110 -15.236 1.00 10.00 C ATOM 561 CG1 VAL A 39 1.460 10.675 -15.436 1.00 10.00 C ATOM 562 CG2 VAL A 39 0.113 8.681 -14.649 1.00 10.00 C ATOM 0 H VAL A 39 -2.741 10.893 -15.266 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.430 10.971 -13.377 1.00 10.00 H new ATOM 0 HB VAL A 39 -0.444 10.056 -16.213 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.044 9.984 -16.044 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.401 11.640 -15.940 1.00 10.00 H new ATOM 0 HG13 VAL A 39 1.941 10.801 -14.466 1.00 10.00 H new ATOM 0 HG21 VAL A 39 0.748 8.061 -15.282 1.00 10.00 H new ATOM 0 HG22 VAL A 39 0.533 8.722 -13.644 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -0.888 8.251 -14.607 1.00 10.00 H new ATOM 572 N LYS A 40 -1.219 13.395 -13.932 1.00 10.00 N ATOM 573 CA LYS A 40 -1.185 14.840 -14.175 1.00 10.00 C ATOM 574 C LYS A 40 0.135 15.227 -14.830 1.00 10.00 C ATOM 575 O LYS A 40 1.207 14.882 -14.325 1.00 10.00 O ATOM 576 CB LYS A 40 -1.452 15.617 -12.880 1.00 10.00 C ATOM 577 CG LYS A 40 -0.304 15.471 -11.861 1.00 10.00 C ATOM 578 CD LYS A 40 -0.762 15.808 -10.447 1.00 10.00 C ATOM 579 CE LYS A 40 -0.802 17.324 -10.238 1.00 10.00 C ATOM 580 NZ LYS A 40 -2.079 17.742 -9.609 1.00 10.00 N ATOM 0 H LYS A 40 -1.565 13.144 -13.006 1.00 10.00 H new ATOM 0 HA LYS A 40 -1.983 15.109 -14.867 1.00 10.00 H new ATOM 0 HB2 LYS A 40 -1.594 16.672 -13.115 1.00 10.00 H new ATOM 0 HB3 LYS A 40 -2.380 15.263 -12.431 1.00 10.00 H new ATOM 0 HG2 LYS A 40 0.078 14.451 -11.887 1.00 10.00 H new ATOM 0 HG3 LYS A 40 0.519 16.127 -12.143 1.00 10.00 H new ATOM 0 HD2 LYS A 40 -1.751 15.385 -10.269 1.00 10.00 H new ATOM 0 HD3 LYS A 40 -0.086 15.354 -9.722 1.00 10.00 H new ATOM 0 HE2 LYS A 40 0.034 17.630 -9.609 1.00 10.00 H new ATOM 0 HE3 LYS A 40 -0.682 17.830 -11.196 1.00 10.00 H new ATOM 0 HZ1 LYS A 40 -2.080 18.774 -9.478 1.00 10.00 H new ATOM 0 HZ2 LYS A 40 -2.874 17.470 -10.222 1.00 10.00 H new ATOM 0 HZ3 LYS A 40 -2.180 17.276 -8.685 1.00 10.00 H new ATOM 594 N GLU A 41 0.044 15.905 -15.967 1.00 10.00 N ATOM 595 CA GLU A 41 1.238 16.287 -16.705 1.00 10.00 C ATOM 596 C GLU A 41 2.139 17.125 -15.794 1.00 10.00 C ATOM 597 O GLU A 41 1.663 17.827 -14.890 1.00 10.00 O ATOM 598 CB GLU A 41 0.855 17.037 -17.986 1.00 10.00 C ATOM 599 CG GLU A 41 1.930 16.847 -19.060 1.00 10.00 C ATOM 600 CD GLU A 41 1.642 17.727 -20.280 1.00 10.00 C ATOM 601 OE1 GLU A 41 0.791 17.315 -21.097 1.00 10.00 O ATOM 602 OE2 GLU A 41 2.268 18.806 -20.369 1.00 10.00 O ATOM 0 H GLU A 41 -0.835 16.199 -16.394 1.00 10.00 H new ATOM 0 HA GLU A 41 1.791 15.399 -17.011 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -0.104 16.673 -18.355 1.00 10.00 H new ATOM 0 HB3 GLU A 41 0.732 18.098 -17.770 1.00 10.00 H new ATOM 0 HG2 GLU A 41 2.909 17.096 -18.649 1.00 10.00 H new ATOM 0 HG3 GLU A 41 1.968 15.800 -19.362 1.00 10.00 H new ATOM 609 N LYS A 42 3.453 17.021 -15.996 1.00 10.00 N ATOM 610 CA LYS A 42 4.424 17.824 -15.263 1.00 10.00 C ATOM 611 C LYS A 42 4.290 19.272 -15.731 1.00 10.00 C ATOM 612 O LYS A 42 5.023 19.693 -16.619 1.00 10.00 O ATOM 613 CB LYS A 42 5.831 17.255 -15.471 1.00 10.00 C ATOM 614 CG LYS A 42 6.860 18.040 -14.645 1.00 10.00 C ATOM 615 CD LYS A 42 8.260 17.468 -14.858 1.00 10.00 C ATOM 616 CE LYS A 42 9.287 18.290 -14.075 1.00 10.00 C ATOM 617 NZ LYS A 42 9.305 17.901 -12.644 1.00 10.00 N ATOM 0 H LYS A 42 3.870 16.379 -16.670 1.00 10.00 H new ATOM 0 HA LYS A 42 4.237 17.795 -14.190 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.850 16.204 -15.182 1.00 10.00 H new ATOM 0 HB3 LYS A 42 6.095 17.300 -16.528 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.842 19.091 -14.933 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.598 17.995 -13.588 1.00 10.00 H new ATOM 0 HD2 LYS A 42 8.290 16.428 -14.533 1.00 10.00 H new ATOM 0 HD3 LYS A 42 8.508 17.477 -15.919 1.00 10.00 H new ATOM 0 HE2 LYS A 42 10.278 18.146 -14.506 1.00 10.00 H new ATOM 0 HE3 LYS A 42 9.052 19.351 -14.164 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 10.010 18.474 -12.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.365 18.062 -12.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.553 16.894 -12.561 1.00 10.00 H new ATOM 631 N LEU A 43 3.326 19.981 -15.141 1.00 10.00 N ATOM 632 CA LEU A 43 3.054 21.382 -15.412 1.00 10.00 C ATOM 633 C LEU A 43 4.359 22.167 -15.344 1.00 10.00 C ATOM 634 O LEU A 43 5.192 21.892 -14.475 1.00 10.00 O ATOM 635 CB LEU A 43 1.999 21.948 -14.441 1.00 10.00 C ATOM 636 CG LEU A 43 2.511 22.309 -13.018 1.00 10.00 C ATOM 637 CD1 LEU A 43 1.783 23.519 -12.431 1.00 10.00 C ATOM 638 CD2 LEU A 43 2.418 21.106 -12.075 1.00 10.00 C ATOM 0 H LEU A 43 2.699 19.580 -14.443 1.00 10.00 H new ATOM 0 HA LEU A 43 2.636 21.478 -16.414 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.565 22.842 -14.888 1.00 10.00 H new ATOM 0 HB3 LEU A 43 1.195 21.218 -14.343 1.00 10.00 H new ATOM 0 HG LEU A 43 3.561 22.584 -13.120 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.175 23.732 -11.437 1.00 10.00 H new ATOM 0 HD12 LEU A 43 1.937 24.384 -13.075 1.00 10.00 H new ATOM 0 HD13 LEU A 43 0.717 23.304 -12.362 1.00 10.00 H new ATOM 0 HD21 LEU A 43 2.783 21.389 -11.088 1.00 10.00 H new ATOM 0 HD22 LEU A 43 1.380 20.782 -11.999 1.00 10.00 H new ATOM 0 HD23 LEU A 43 3.025 20.289 -12.466 1.00 10.00 H new ATOM 650 N GLU A 44 4.520 23.123 -16.247 1.00 10.00 N ATOM 651 CA GLU A 44 5.753 23.905 -16.347 1.00 10.00 C ATOM 652 C GLU A 44 5.705 24.842 -17.529 1.00 10.00 C ATOM 653 O GLU A 44 5.846 26.044 -17.349 1.00 10.00 O ATOM 654 CB GLU A 44 6.999 22.997 -16.467 1.00 10.00 C ATOM 655 CG GLU A 44 7.931 23.226 -15.271 1.00 10.00 C ATOM 656 CD GLU A 44 9.078 24.174 -15.630 1.00 10.00 C ATOM 657 OE1 GLU A 44 8.813 25.208 -16.280 1.00 10.00 O ATOM 658 OE2 GLU A 44 10.223 23.821 -15.268 1.00 10.00 O ATOM 0 H GLU A 44 3.807 23.381 -16.929 1.00 10.00 H new ATOM 0 HA GLU A 44 5.833 24.486 -15.428 1.00 10.00 H new ATOM 0 HB2 GLU A 44 6.695 21.951 -16.507 1.00 10.00 H new ATOM 0 HB3 GLU A 44 7.527 23.211 -17.396 1.00 10.00 H new ATOM 0 HG2 GLU A 44 7.362 23.640 -14.438 1.00 10.00 H new ATOM 0 HG3 GLU A 44 8.337 22.271 -14.936 1.00 10.00 H new ATOM 665 N ASN A 45 5.435 24.290 -18.717 1.00 10.00 N ATOM 666 CA ASN A 45 5.230 25.043 -19.944 1.00 10.00 C ATOM 667 C ASN A 45 4.423 26.323 -19.735 1.00 10.00 C ATOM 668 O ASN A 45 3.335 26.339 -19.163 1.00 10.00 O ATOM 669 CB ASN A 45 4.514 24.188 -20.996 1.00 10.00 C ATOM 670 CG ASN A 45 3.142 23.643 -20.583 1.00 10.00 C ATOM 671 OD1 ASN A 45 2.713 23.594 -19.444 1.00 10.00 O ATOM 672 ND2 ASN A 45 2.406 23.132 -21.529 1.00 10.00 N ATOM 0 H ASN A 45 5.352 23.282 -18.847 1.00 10.00 H new ATOM 0 HA ASN A 45 6.227 25.320 -20.287 1.00 10.00 H new ATOM 0 HB2 ASN A 45 4.391 24.784 -21.900 1.00 10.00 H new ATOM 0 HB3 ASN A 45 5.157 23.346 -21.253 1.00 10.00 H new ATOM 0 HD21 ASN A 45 1.505 22.710 -21.303 1.00 10.00 H new ATOM 0 HD22 ASN A 45 2.731 23.154 -22.496 1.00 10.00 H new ATOM 679 N TYR A 46 4.934 27.420 -20.268 1.00 10.00 N ATOM 680 CA TYR A 46 4.322 28.709 -20.030 1.00 10.00 C ATOM 681 C TYR A 46 4.976 29.736 -20.934 1.00 10.00 C ATOM 682 O TYR A 46 6.072 29.535 -21.462 1.00 10.00 O ATOM 683 CB TYR A 46 4.467 29.103 -18.543 1.00 10.00 C ATOM 684 CG TYR A 46 5.831 29.645 -18.177 1.00 10.00 C ATOM 685 CD1 TYR A 46 6.974 28.822 -18.243 1.00 10.00 C ATOM 686 CD2 TYR A 46 5.952 30.988 -17.785 1.00 10.00 C ATOM 687 CE1 TYR A 46 8.238 29.329 -17.907 1.00 10.00 C ATOM 688 CE2 TYR A 46 7.216 31.501 -17.447 1.00 10.00 C ATOM 689 CZ TYR A 46 8.359 30.674 -17.508 1.00 10.00 C ATOM 690 OH TYR A 46 9.567 31.172 -17.143 1.00 10.00 O ATOM 0 H TYR A 46 5.763 27.441 -20.862 1.00 10.00 H new ATOM 0 HA TYR A 46 3.257 28.663 -20.257 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.713 29.853 -18.302 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.257 28.230 -17.925 1.00 10.00 H new ATOM 0 HD1 TYR A 46 6.875 27.793 -18.555 1.00 10.00 H new ATOM 0 HD2 TYR A 46 5.079 31.623 -17.744 1.00 10.00 H new ATOM 0 HE1 TYR A 46 9.110 28.694 -17.954 1.00 10.00 H new ATOM 0 HE2 TYR A 46 7.314 32.532 -17.139 1.00 10.00 H new ATOM 0 HH TYR A 46 9.471 32.116 -16.898 1.00 10.00 H new ATOM 700 N LYS A 47 4.292 30.861 -21.108 1.00 10.00 N ATOM 701 CA LYS A 47 4.830 31.989 -21.854 1.00 10.00 C ATOM 702 C LYS A 47 4.995 33.218 -20.954 1.00 10.00 C ATOM 703 O LYS A 47 4.260 33.352 -19.970 1.00 10.00 O ATOM 704 CB LYS A 47 3.968 32.225 -23.096 1.00 10.00 C ATOM 705 CG LYS A 47 2.525 32.626 -22.736 1.00 10.00 C ATOM 706 CD LYS A 47 2.073 33.870 -23.511 1.00 10.00 C ATOM 707 CE LYS A 47 1.160 34.743 -22.650 1.00 10.00 C ATOM 708 NZ LYS A 47 -0.268 34.458 -22.924 1.00 10.00 N ATOM 0 H LYS A 47 3.354 31.015 -20.738 1.00 10.00 H new ATOM 0 HA LYS A 47 5.838 31.768 -22.206 1.00 10.00 H new ATOM 0 HB2 LYS A 47 4.419 33.008 -23.706 1.00 10.00 H new ATOM 0 HB3 LYS A 47 3.951 31.319 -23.702 1.00 10.00 H new ATOM 0 HG2 LYS A 47 1.852 31.797 -22.954 1.00 10.00 H new ATOM 0 HG3 LYS A 47 2.457 32.819 -21.665 1.00 10.00 H new ATOM 0 HD2 LYS A 47 2.944 34.445 -23.824 1.00 10.00 H new ATOM 0 HD3 LYS A 47 1.547 33.569 -24.417 1.00 10.00 H new ATOM 0 HE2 LYS A 47 1.373 34.567 -21.596 1.00 10.00 H new ATOM 0 HE3 LYS A 47 1.368 35.795 -22.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -0.864 35.065 -22.326 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -0.474 34.649 -23.925 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -0.469 33.460 -22.714 1.00 10.00 H new ATOM 722 N PRO A 48 5.919 34.127 -21.300 1.00 10.00 N ATOM 723 CA PRO A 48 6.115 35.360 -20.564 1.00 10.00 C ATOM 724 C PRO A 48 4.959 36.338 -20.791 1.00 10.00 C ATOM 725 O PRO A 48 3.978 36.058 -21.496 1.00 10.00 O ATOM 726 CB PRO A 48 7.472 35.902 -21.032 1.00 10.00 C ATOM 727 CG PRO A 48 7.758 35.228 -22.374 1.00 10.00 C ATOM 728 CD PRO A 48 6.778 34.070 -22.472 1.00 10.00 C ATOM 0 HA PRO A 48 6.122 35.202 -19.486 1.00 10.00 H new ATOM 0 HB2 PRO A 48 7.443 36.986 -21.139 1.00 10.00 H new ATOM 0 HB3 PRO A 48 8.254 35.674 -20.307 1.00 10.00 H new ATOM 0 HG2 PRO A 48 7.622 35.927 -23.200 1.00 10.00 H new ATOM 0 HG3 PRO A 48 8.788 34.874 -22.422 1.00 10.00 H new ATOM 0 HD2 PRO A 48 6.187 34.144 -23.385 1.00 10.00 H new ATOM 0 HD3 PRO A 48 7.310 33.119 -22.512 1.00 10.00 H new ATOM 736 N LYS A 49 5.084 37.508 -20.168 1.00 10.00 N ATOM 737 CA LYS A 49 4.125 38.594 -20.302 1.00 10.00 C ATOM 738 C LYS A 49 4.841 39.923 -20.498 1.00 10.00 C ATOM 739 O LYS A 49 4.621 40.543 -21.535 1.00 10.00 O ATOM 740 CB LYS A 49 3.151 38.555 -19.109 1.00 10.00 C ATOM 741 CG LYS A 49 1.805 39.191 -19.483 1.00 10.00 C ATOM 742 CD LYS A 49 1.817 40.711 -19.302 1.00 10.00 C ATOM 743 CE LYS A 49 1.374 41.072 -17.879 1.00 10.00 C ATOM 744 NZ LYS A 49 0.070 41.762 -17.892 1.00 10.00 N ATOM 0 H LYS A 49 5.865 37.728 -19.549 1.00 10.00 H new ATOM 0 HA LYS A 49 3.520 38.471 -21.200 1.00 10.00 H new ATOM 0 HB2 LYS A 49 2.996 37.523 -18.794 1.00 10.00 H new ATOM 0 HB3 LYS A 49 3.586 39.085 -18.261 1.00 10.00 H new ATOM 0 HG2 LYS A 49 1.567 38.952 -20.519 1.00 10.00 H new ATOM 0 HG3 LYS A 49 1.017 38.759 -18.867 1.00 10.00 H new ATOM 0 HD2 LYS A 49 2.818 41.100 -19.490 1.00 10.00 H new ATOM 0 HD3 LYS A 49 1.152 41.178 -20.028 1.00 10.00 H new ATOM 0 HE2 LYS A 49 1.305 40.167 -17.275 1.00 10.00 H new ATOM 0 HE3 LYS A 49 2.123 41.711 -17.412 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -0.209 41.996 -16.918 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 0.145 42.636 -18.450 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -0.647 41.141 -18.317 1.00 10.00 H new ATOM 758 N ASN A 50 5.619 40.349 -19.498 1.00 10.00 N ATOM 759 CA ASN A 50 6.361 41.612 -19.441 1.00 10.00 C ATOM 760 C ASN A 50 7.461 41.631 -18.357 1.00 10.00 C ATOM 761 O ASN A 50 8.404 40.838 -18.553 1.00 10.00 O ATOM 762 CB ASN A 50 5.337 42.765 -19.342 1.00 10.00 C ATOM 763 CG ASN A 50 4.362 42.723 -18.166 1.00 10.00 C ATOM 764 OD1 ASN A 50 4.251 41.845 -17.326 1.00 10.00 O ATOM 765 ND2 ASN A 50 3.371 43.578 -18.202 1.00 10.00 N ATOM 766 OXT ASN A 50 7.344 42.422 -17.398 1.00 10.00 O ATOM 0 H ASN A 50 5.756 39.788 -18.657 1.00 10.00 H new ATOM 0 HA ASN A 50 6.937 41.742 -20.357 1.00 10.00 H new ATOM 0 HB2 ASN A 50 5.887 43.705 -19.293 1.00 10.00 H new ATOM 0 HB3 ASN A 50 4.756 42.783 -20.264 1.00 10.00 H new ATOM 0 HD21 ASN A 50 2.587 43.478 -17.557 1.00 10.00 H new ATOM 0 HD22 ASN A 50 3.383 44.345 -18.875 1.00 10.00 H new TER 773 ASN A 50