USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 SER OG : rot -71:sc= -0.0758 USER MOD Set 1.2: B 3 ASN : amide:sc= 0.00828 X(o=-0.068,f=-0.081) USER MOD Set 2.1: A 5 GLN : amide:sc=-0.00349 X(o=-0.0035,f=0) USER MOD Set 2.2: A 15 GLN : amide:sc= 0 X(o=-0.0035,f=-0.051) USER MOD Single : A 1 GLY N :NH3+ 176:sc= -0.172 (180deg=-0.183) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00116 K(o=-0.0012,f=-0.85) USER MOD Single : A 19 TYR OH : rot 80:sc= -0.0107 USER MOD Single : A 21 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.45) USER MOD Single : B 1 PHE N :NH3+ 156:sc= 0.161 (180deg=0.0214) USER MOD Single : B 4 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.63) USER MOD Single : B 5 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 111:sc= 1.06 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.066 -1.825 -0.312 1.00 25.00 N ATOM 2 CA GLY A 1 2.626 -0.549 -0.925 1.00 25.00 C ATOM 3 C GLY A 1 2.160 -0.198 -2.283 1.00 25.00 C ATOM 4 O GLY A 1 1.549 0.829 -2.528 1.00 25.00 O ATOM 0 H1 GLY A 1 2.519 -1.996 0.609 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.039 -1.725 -0.180 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.257 -2.627 -0.946 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.386 0.280 -0.259 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.712 -0.634 -0.951 1.00 25.00 H new ATOM 9 N ILE A 2 2.324 -1.170 -3.208 1.00 25.00 N ATOM 10 CA ILE A 2 1.786 -0.951 -4.540 1.00 25.00 C ATOM 11 C ILE A 2 0.299 -0.987 -4.395 1.00 25.00 C ATOM 12 O ILE A 2 -0.416 -0.145 -4.949 1.00 25.00 O ATOM 13 CB ILE A 2 2.214 -2.023 -5.576 1.00 25.00 C ATOM 14 CG1 ILE A 2 3.761 -2.206 -5.575 1.00 25.00 C ATOM 15 CG2 ILE A 2 1.674 -1.662 -6.997 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.264 -3.369 -6.429 1.00 25.00 C ATOM 0 H ILE A 2 2.799 -2.060 -3.058 1.00 25.00 H new ATOM 0 HA ILE A 2 2.168 -0.003 -4.919 1.00 25.00 H new ATOM 0 HB ILE A 2 1.773 -2.978 -5.290 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.223 -1.285 -5.930 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.096 -2.355 -4.548 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.985 -2.426 -7.709 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.585 -1.612 -6.971 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.074 -0.696 -7.304 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.351 -3.421 -6.369 1.00 25.00 H new ATOM 0 HD12 ILE A 2 3.835 -4.302 -6.062 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.965 -3.215 -7.466 1.00 25.00 H new ATOM 28 N VAL A 3 -0.170 -1.889 -3.573 1.00 25.00 N ATOM 29 CA VAL A 3 -1.574 -1.965 -3.278 1.00 25.00 C ATOM 30 C VAL A 3 -2.090 -0.656 -2.626 1.00 25.00 C ATOM 31 O VAL A 3 -3.203 -0.192 -2.967 1.00 25.00 O ATOM 32 CB VAL A 3 -1.914 -3.202 -2.413 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.272 -3.151 -1.063 1.00 25.00 C ATOM 34 CG2 VAL A 3 -3.478 -3.345 -2.219 1.00 25.00 C ATOM 0 H VAL A 3 0.404 -2.584 -3.095 1.00 25.00 H new ATOM 0 HA VAL A 3 -2.095 -2.085 -4.228 1.00 25.00 H new ATOM 0 HB VAL A 3 -1.521 -4.063 -2.953 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.543 -4.042 -0.497 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -0.189 -3.109 -1.177 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.616 -2.265 -0.530 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -3.690 -4.222 -1.608 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -3.866 -2.455 -1.724 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -3.957 -3.457 -3.192 1.00 25.00 H new ATOM 44 N GLU A 4 -1.312 -0.080 -1.739 1.00 25.00 N ATOM 45 CA GLU A 4 -1.733 1.109 -1.038 1.00 25.00 C ATOM 46 C GLU A 4 -1.735 2.355 -1.892 1.00 25.00 C ATOM 47 O GLU A 4 -2.534 3.278 -1.677 1.00 25.00 O ATOM 48 CB GLU A 4 -0.779 1.314 0.183 1.00 25.00 C ATOM 49 CG GLU A 4 -0.864 0.157 1.199 1.00 25.00 C ATOM 50 CD GLU A 4 -0.070 0.413 2.439 1.00 25.00 C ATOM 51 OE1 GLU A 4 0.848 -0.258 2.778 1.00 25.00 O ATOM 52 OE2 GLU A 4 -0.487 1.427 3.115 1.00 25.00 O ATOM 0 H GLU A 4 -0.383 -0.417 -1.486 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.767 0.957 -0.728 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.247 1.406 -0.173 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.029 2.250 0.682 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.907 -0.007 1.469 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.509 -0.760 0.729 1.00 25.00 H new ATOM 60 N GLN A 5 -0.893 2.356 -2.914 1.00 25.00 N ATOM 61 CA GLN A 5 -0.794 3.480 -3.847 1.00 25.00 C ATOM 62 C GLN A 5 -1.823 3.435 -4.951 1.00 25.00 C ATOM 63 O GLN A 5 -2.412 4.488 -5.304 1.00 25.00 O ATOM 64 CB GLN A 5 0.595 3.504 -4.498 1.00 25.00 C ATOM 65 CG GLN A 5 0.882 4.756 -5.349 1.00 25.00 C ATOM 66 CD GLN A 5 0.853 6.074 -4.548 1.00 25.00 C ATOM 67 OE1 GLN A 5 1.513 6.222 -3.551 1.00 25.00 O ATOM 68 NE2 GLN A 5 0.089 6.999 -5.005 1.00 25.00 N ATOM 0 H GLN A 5 -0.260 1.584 -3.124 1.00 25.00 H new ATOM 0 HA GLN A 5 -0.973 4.376 -3.253 1.00 25.00 H new ATOM 0 HB2 GLN A 5 1.350 3.432 -3.715 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.702 2.620 -5.127 1.00 25.00 H new ATOM 0 HG2 GLN A 5 1.860 4.648 -5.818 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.148 4.814 -6.152 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.456 6.838 -5.852 1.00 25.00 H new ATOM 0 HE22 GLN A 5 0.027 7.895 -4.521 1.00 25.00 H new ATOM 77 N CYS A 6 -2.008 2.245 -5.550 1.00 25.00 N ATOM 78 CA CYS A 6 -2.827 2.161 -6.762 1.00 25.00 C ATOM 79 C CYS A 6 -4.199 1.491 -6.659 1.00 25.00 C ATOM 80 O CYS A 6 -5.097 1.744 -7.472 1.00 25.00 O ATOM 81 CB CYS A 6 -2.079 1.392 -7.810 1.00 25.00 C ATOM 82 SG CYS A 6 -1.846 2.361 -9.331 1.00 25.00 S ATOM 0 H CYS A 6 -1.616 1.361 -5.226 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.016 3.210 -6.992 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.107 1.095 -7.417 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.621 0.476 -8.044 1.00 25.00 H new ATOM 87 N CYS A 7 -4.384 0.636 -5.667 1.00 25.00 N ATOM 88 CA CYS A 7 -5.668 -0.014 -5.554 1.00 25.00 C ATOM 89 C CYS A 7 -6.726 0.869 -4.868 1.00 25.00 C ATOM 90 O CYS A 7 -7.909 0.552 -4.787 1.00 25.00 O ATOM 91 CB CYS A 7 -5.528 -1.321 -4.775 1.00 25.00 C ATOM 92 SG CYS A 7 -4.447 -2.453 -5.669 1.00 25.00 S ATOM 0 H CYS A 7 -3.693 0.387 -4.960 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.009 -0.209 -6.571 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.121 -1.122 -3.784 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.508 -1.776 -4.632 1.00 25.00 H new ATOM 97 N THR A 8 -6.318 2.068 -4.413 1.00 25.00 N ATOM 98 CA THR A 8 -7.188 3.121 -3.894 1.00 25.00 C ATOM 99 C THR A 8 -7.065 4.255 -4.958 1.00 25.00 C ATOM 100 O THR A 8 -6.045 4.354 -5.616 1.00 25.00 O ATOM 101 CB THR A 8 -6.773 3.625 -2.415 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.718 4.634 -2.003 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.417 4.211 -2.359 1.00 25.00 C ATOM 0 H THR A 8 -5.333 2.333 -4.399 1.00 25.00 H new ATOM 0 HA THR A 8 -8.212 2.771 -3.759 1.00 25.00 H new ATOM 0 HB THR A 8 -6.779 2.755 -1.759 1.00 25.00 H new ATOM 0 HG1 THR A 8 -7.486 4.953 -1.106 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.200 4.529 -1.339 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.685 3.465 -2.670 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.364 5.071 -3.026 1.00 25.00 H new ATOM 111 N SER A 9 -8.136 5.017 -5.159 1.00 25.00 N ATOM 112 CA SER A 9 -8.218 5.945 -6.314 1.00 25.00 C ATOM 113 C SER A 9 -8.007 5.136 -7.629 1.00 25.00 C ATOM 114 O SER A 9 -8.050 3.904 -7.655 1.00 25.00 O ATOM 115 CB SER A 9 -7.157 7.046 -6.153 1.00 25.00 C ATOM 116 OG SER A 9 -7.583 8.220 -6.832 1.00 25.00 O ATOM 0 H SER A 9 -8.957 5.021 -4.553 1.00 25.00 H new ATOM 0 HA SER A 9 -9.197 6.421 -6.358 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.999 7.262 -5.096 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.202 6.707 -6.555 1.00 25.00 H new ATOM 0 HG SER A 9 -6.907 8.922 -6.727 1.00 25.00 H new ATOM 122 N ILE A 10 -7.892 5.834 -8.745 1.00 25.00 N ATOM 123 CA ILE A 10 -7.851 5.189 -10.059 1.00 25.00 C ATOM 124 C ILE A 10 -6.430 4.895 -10.503 1.00 25.00 C ATOM 125 O ILE A 10 -5.559 5.811 -10.598 1.00 25.00 O ATOM 126 CB ILE A 10 -8.593 6.064 -11.137 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.087 6.231 -10.742 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.485 5.468 -12.572 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.967 4.914 -10.802 1.00 25.00 C ATOM 0 H ILE A 10 -7.825 6.851 -8.774 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.370 4.235 -9.964 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.101 7.036 -11.158 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.133 6.630 -9.729 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.536 6.976 -11.399 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.014 6.112 -13.274 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.436 5.402 -12.860 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.929 4.473 -12.587 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.990 5.146 -10.507 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.963 4.520 -11.818 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.554 4.169 -10.122 1.00 25.00 H new ATOM 141 N CYS A 11 -6.168 3.652 -10.840 1.00 25.00 N ATOM 142 CA CYS A 11 -4.830 3.234 -11.257 1.00 25.00 C ATOM 143 C CYS A 11 -4.719 3.307 -12.743 1.00 25.00 C ATOM 144 O CYS A 11 -5.725 3.166 -13.460 1.00 25.00 O ATOM 145 CB CYS A 11 -4.607 1.826 -10.709 1.00 25.00 C ATOM 146 SG CYS A 11 -2.849 1.288 -10.723 1.00 25.00 S ATOM 0 H CYS A 11 -6.861 2.903 -10.836 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.054 3.890 -10.863 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.982 1.782 -9.686 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.197 1.121 -11.295 1.00 25.00 H new ATOM 151 N SER A 12 -3.497 3.486 -13.209 1.00 25.00 N ATOM 152 CA SER A 12 -3.251 3.552 -14.630 1.00 25.00 C ATOM 153 C SER A 12 -1.849 3.048 -14.975 1.00 25.00 C ATOM 154 O SER A 12 -0.953 3.078 -14.180 1.00 25.00 O ATOM 155 CB SER A 12 -3.399 5.015 -15.147 1.00 25.00 C ATOM 156 OG SER A 12 -4.717 5.455 -14.856 1.00 25.00 O ATOM 0 H SER A 12 -2.667 3.587 -12.625 1.00 25.00 H new ATOM 0 HA SER A 12 -3.990 2.913 -15.114 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.667 5.664 -14.667 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.211 5.060 -16.220 1.00 25.00 H new ATOM 0 HG SER A 12 -5.353 4.994 -15.442 1.00 25.00 H new ATOM 162 N LEU A 13 -1.689 2.657 -16.216 1.00 25.00 N ATOM 163 CA LEU A 13 -0.389 2.197 -16.799 1.00 25.00 C ATOM 164 C LEU A 13 0.679 3.300 -16.589 1.00 25.00 C ATOM 165 O LEU A 13 1.905 3.039 -16.223 1.00 25.00 O ATOM 166 CB LEU A 13 -0.561 1.865 -18.249 1.00 25.00 C ATOM 167 CG LEU A 13 -1.678 0.769 -18.526 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.757 0.513 -20.047 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.366 -0.542 -17.807 1.00 25.00 C ATOM 0 H LEU A 13 -2.457 2.638 -16.887 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.055 1.290 -16.295 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.815 2.775 -18.793 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.390 1.510 -18.647 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.630 1.141 -18.148 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.521 -0.238 -20.250 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.014 1.440 -20.559 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.792 0.156 -20.406 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.150 -1.269 -18.019 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.409 -0.929 -18.156 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -1.316 -0.365 -16.733 1.00 25.00 H new ATOM 181 N TYR A 14 0.290 4.569 -16.589 1.00 25.00 N ATOM 182 CA TYR A 14 1.159 5.706 -16.228 1.00 25.00 C ATOM 183 C TYR A 14 1.852 5.539 -14.906 1.00 25.00 C ATOM 184 O TYR A 14 3.040 5.591 -14.823 1.00 25.00 O ATOM 185 CB TYR A 14 0.386 7.032 -16.284 1.00 25.00 C ATOM 186 CG TYR A 14 1.347 8.247 -16.135 1.00 25.00 C ATOM 187 CD1 TYR A 14 2.229 8.539 -17.127 1.00 25.00 C ATOM 188 CD2 TYR A 14 1.317 9.004 -14.983 1.00 25.00 C ATOM 189 CE1 TYR A 14 3.077 9.558 -17.030 1.00 25.00 C ATOM 190 CE2 TYR A 14 2.213 10.225 -14.805 1.00 25.00 C ATOM 191 CZ TYR A 14 3.139 10.432 -15.990 1.00 25.00 C ATOM 192 OH TYR A 14 3.963 11.481 -15.926 1.00 25.00 O ATOM 0 H TYR A 14 -0.656 4.853 -16.844 1.00 25.00 H new ATOM 0 HA TYR A 14 1.949 5.729 -16.979 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -0.152 7.103 -17.229 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.361 7.055 -15.490 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.241 7.927 -18.017 1.00 25.00 H new ATOM 0 HD2 TYR A 14 0.642 8.725 -14.187 1.00 25.00 H new ATOM 0 HE1 TYR A 14 3.773 9.704 -17.843 1.00 25.00 H new ATOM 0 HE2 TYR A 14 2.191 10.868 -13.937 1.00 25.00 H new ATOM 0 HH TYR A 14 3.820 11.958 -15.082 1.00 25.00 H new ATOM 202 N GLN A 15 1.083 5.232 -13.813 1.00 25.00 N ATOM 203 CA GLN A 15 1.675 4.934 -12.504 1.00 25.00 C ATOM 204 C GLN A 15 2.441 3.632 -12.507 1.00 25.00 C ATOM 205 O GLN A 15 3.532 3.559 -11.970 1.00 25.00 O ATOM 206 CB GLN A 15 0.635 4.835 -11.366 1.00 25.00 C ATOM 207 CG GLN A 15 -0.069 6.162 -11.020 1.00 25.00 C ATOM 208 CD GLN A 15 -0.659 6.150 -9.617 1.00 25.00 C ATOM 209 OE1 GLN A 15 0.053 6.077 -8.640 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.979 6.291 -9.509 1.00 25.00 N ATOM 0 H GLN A 15 0.064 5.190 -13.831 1.00 25.00 H new ATOM 0 HA GLN A 15 2.340 5.778 -12.320 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.120 4.101 -11.645 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.130 4.458 -10.471 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.643 6.983 -11.106 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.862 6.351 -11.744 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -2.556 6.350 -10.348 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.413 6.340 -8.587 1.00 25.00 H new ATOM 219 N LEU A 16 1.935 2.617 -13.183 1.00 25.00 N ATOM 220 CA LEU A 16 2.650 1.333 -13.221 1.00 25.00 C ATOM 221 C LEU A 16 4.097 1.392 -13.766 1.00 25.00 C ATOM 222 O LEU A 16 4.961 0.620 -13.263 1.00 25.00 O ATOM 223 CB LEU A 16 1.842 0.279 -13.995 1.00 25.00 C ATOM 224 CG LEU A 16 1.024 -0.715 -13.151 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.026 -0.059 -12.221 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.332 -1.663 -14.112 1.00 25.00 C ATOM 0 H LEU A 16 1.058 2.642 -13.703 1.00 25.00 H new ATOM 0 HA LEU A 16 2.747 1.048 -12.173 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.159 0.799 -14.667 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.532 -0.290 -14.618 1.00 25.00 H new ATOM 0 HG LEU A 16 1.707 -1.246 -12.488 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.510 -0.826 -11.662 1.00 25.00 H new ATOM 0 HD12 LEU A 16 0.552 0.595 -11.526 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.684 0.527 -12.804 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.259 -2.385 -13.549 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -0.322 -1.096 -14.774 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.080 -2.190 -14.704 1.00 25.00 H new ATOM 238 N GLU A 17 4.411 2.344 -14.630 1.00 25.00 N ATOM 239 CA GLU A 17 5.824 2.517 -15.039 1.00 25.00 C ATOM 240 C GLU A 17 6.799 2.857 -13.890 1.00 25.00 C ATOM 241 O GLU A 17 8.019 2.537 -13.915 1.00 25.00 O ATOM 242 CB GLU A 17 5.895 3.631 -16.103 1.00 25.00 C ATOM 243 CG GLU A 17 5.250 3.228 -17.474 1.00 25.00 C ATOM 244 CD GLU A 17 4.932 4.425 -18.317 1.00 25.00 C ATOM 245 OE1 GLU A 17 4.056 5.234 -18.061 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.718 4.537 -19.349 1.00 25.00 O ATOM 0 H GLU A 17 3.748 2.992 -15.055 1.00 25.00 H new ATOM 0 HA GLU A 17 6.148 1.551 -15.425 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.392 4.520 -15.721 1.00 25.00 H new ATOM 0 HB3 GLU A 17 6.938 3.900 -16.267 1.00 25.00 H new ATOM 0 HG2 GLU A 17 5.931 2.573 -18.017 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.338 2.659 -17.293 1.00 25.00 H new ATOM 254 N ASN A 18 6.244 3.432 -12.808 1.00 25.00 N ATOM 255 CA ASN A 18 7.046 3.780 -11.647 1.00 25.00 C ATOM 256 C ASN A 18 7.577 2.538 -10.942 1.00 25.00 C ATOM 257 O ASN A 18 8.436 2.615 -10.102 1.00 25.00 O ATOM 258 CB ASN A 18 6.259 4.638 -10.653 1.00 25.00 C ATOM 259 CG ASN A 18 5.905 5.991 -11.195 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.595 6.548 -12.027 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.808 6.521 -10.716 1.00 25.00 N ATOM 0 H ASN A 18 5.253 3.659 -12.724 1.00 25.00 H new ATOM 0 HA ASN A 18 7.891 4.362 -12.016 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.345 4.114 -10.374 1.00 25.00 H new ATOM 0 HB3 ASN A 18 6.846 4.760 -9.743 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.501 7.438 -11.040 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.260 6.017 -10.019 1.00 25.00 H new ATOM 268 N TYR A 19 7.004 1.378 -11.253 1.00 25.00 N ATOM 269 CA TYR A 19 7.444 0.110 -10.619 1.00 25.00 C ATOM 270 C TYR A 19 8.250 -0.744 -11.574 1.00 25.00 C ATOM 271 O TYR A 19 8.643 -1.832 -11.283 1.00 25.00 O ATOM 272 CB TYR A 19 6.261 -0.638 -10.074 1.00 25.00 C ATOM 273 CG TYR A 19 5.435 0.211 -9.098 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.762 0.244 -7.710 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.331 0.971 -9.568 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.960 1.029 -6.796 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.551 1.739 -8.704 1.00 25.00 C ATOM 278 CZ TYR A 19 3.857 1.760 -7.328 1.00 25.00 C ATOM 279 OH TYR A 19 3.090 2.537 -6.490 1.00 25.00 O ATOM 0 H TYR A 19 6.245 1.276 -11.927 1.00 25.00 H new ATOM 0 HA TYR A 19 8.104 0.359 -9.788 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.626 -0.960 -10.899 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.606 -1.539 -9.567 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.608 -0.317 -7.341 1.00 25.00 H new ATOM 0 HD2 TYR A 19 4.090 0.954 -10.621 1.00 25.00 H new ATOM 0 HE1 TYR A 19 5.190 1.060 -5.741 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.720 2.313 -9.086 1.00 25.00 H new ATOM 0 HH TYR A 19 3.547 3.388 -6.324 1.00 25.00 H new ATOM 289 N CYS A 20 8.524 -0.184 -12.749 1.00 25.00 N ATOM 290 CA CYS A 20 9.359 -0.825 -13.749 1.00 25.00 C ATOM 291 C CYS A 20 10.758 -0.174 -13.756 1.00 25.00 C ATOM 292 O CYS A 20 11.803 -0.841 -13.921 1.00 25.00 O ATOM 293 CB CYS A 20 8.681 -0.616 -15.134 1.00 25.00 C ATOM 294 SG CYS A 20 9.708 -1.133 -16.561 1.00 25.00 S ATOM 0 H CYS A 20 8.170 0.730 -13.031 1.00 25.00 H new ATOM 0 HA CYS A 20 9.470 -1.887 -13.530 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.744 -1.173 -15.155 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.428 0.438 -15.246 1.00 25.00 H new ATOM 299 N ASN A 21 10.781 1.154 -13.513 1.00 25.00 N ATOM 300 CA ASN A 21 12.018 1.971 -13.582 1.00 25.00 C ATOM 301 C ASN A 21 13.250 1.395 -12.889 1.00 25.00 C ATOM 302 O ASN A 21 14.388 1.446 -13.256 1.00 25.00 O ATOM 303 CB ASN A 21 11.703 3.377 -13.063 1.00 25.00 C ATOM 304 CG ASN A 21 12.270 4.448 -13.997 1.00 25.00 C ATOM 305 OD1 ASN A 21 13.223 4.286 -14.707 1.00 25.00 O ATOM 306 ND2 ASN A 21 11.679 5.643 -13.976 1.00 25.00 N ATOM 307 OXT ASN A 21 12.916 0.939 -11.690 1.00 25.00 O ATOM 0 H ASN A 21 9.949 1.690 -13.265 1.00 25.00 H new ATOM 0 HA ASN A 21 12.308 1.983 -14.633 1.00 25.00 H new ATOM 0 HB2 ASN A 21 10.624 3.502 -12.974 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.122 3.502 -12.064 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.039 6.400 -14.557 1.00 25.00 H new ATOM 0 HD22 ASN A 21 10.867 5.800 -13.379 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -7.825 -1.685 -22.946 1.00 25.00 N ATOM 317 CA PHE B 1 -7.199 -1.466 -21.586 1.00 25.00 C ATOM 318 C PHE B 1 -8.135 -0.982 -20.503 1.00 25.00 C ATOM 319 O PHE B 1 -9.101 -0.323 -20.740 1.00 25.00 O ATOM 320 CB PHE B 1 -6.019 -0.488 -21.736 1.00 25.00 C ATOM 321 CG PHE B 1 -4.869 -1.062 -22.504 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.997 -1.943 -21.875 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.667 -0.718 -23.818 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.929 -2.468 -22.603 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.584 -1.218 -24.540 1.00 25.00 C ATOM 326 CZ PHE B 1 -2.718 -2.112 -23.945 1.00 25.00 C ATOM 0 H1 PHE B 1 -7.093 -1.613 -23.681 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.259 -2.630 -22.980 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.554 -0.963 -23.113 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.875 -2.450 -21.247 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -6.366 0.416 -22.237 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.674 -0.191 -20.746 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.144 -2.216 -20.841 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.361 -0.047 -24.302 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.252 -3.161 -22.126 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.424 -0.906 -25.562 1.00 25.00 H new ATOM 0 HZ PHE B 1 -1.892 -2.531 -24.501 1.00 25.00 H new ATOM 337 N VAL B 2 -7.770 -1.334 -19.269 1.00 25.00 N ATOM 338 CA VAL B 2 -8.657 -1.060 -18.124 1.00 25.00 C ATOM 339 C VAL B 2 -7.879 -0.275 -17.107 1.00 25.00 C ATOM 340 O VAL B 2 -6.791 -0.647 -16.713 1.00 25.00 O ATOM 341 CB VAL B 2 -9.140 -2.381 -17.457 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.007 -2.087 -16.213 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.930 -3.221 -18.443 1.00 25.00 C ATOM 0 H VAL B 2 -6.892 -1.797 -19.034 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.528 -0.509 -18.478 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.256 -2.937 -17.144 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.332 -3.026 -15.766 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.422 -1.522 -15.487 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.880 -1.504 -16.507 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.258 -4.140 -17.957 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.800 -2.660 -18.784 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -9.300 -3.468 -19.298 1.00 25.00 H new ATOM 353 N ASN B 3 -8.492 0.794 -16.648 1.00 25.00 N ATOM 354 CA ASN B 3 -7.955 1.610 -15.584 1.00 25.00 C ATOM 355 C ASN B 3 -8.573 1.122 -14.257 1.00 25.00 C ATOM 356 O ASN B 3 -8.192 0.065 -13.758 1.00 25.00 O ATOM 357 CB ASN B 3 -8.274 3.096 -15.825 1.00 25.00 C ATOM 358 CG ASN B 3 -7.551 3.651 -17.039 1.00 25.00 C ATOM 359 OD1 ASN B 3 -6.332 3.648 -17.106 1.00 25.00 O ATOM 360 ND2 ASN B 3 -8.290 4.127 -17.998 1.00 25.00 N ATOM 0 H ASN B 3 -9.388 1.124 -17.008 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.870 1.516 -15.547 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.349 3.218 -15.958 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.995 3.673 -14.943 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.853 4.512 -18.836 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.306 4.115 -17.912 1.00 25.00 H new ATOM 367 N GLN B 4 -9.527 1.876 -13.729 1.00 25.00 N ATOM 368 CA GLN B 4 -10.244 1.493 -12.503 1.00 25.00 C ATOM 369 C GLN B 4 -9.296 1.206 -11.307 1.00 25.00 C ATOM 370 O GLN B 4 -8.317 1.954 -11.127 1.00 25.00 O ATOM 371 CB GLN B 4 -11.177 0.293 -12.857 1.00 25.00 C ATOM 372 CG GLN B 4 -12.493 0.206 -12.039 1.00 25.00 C ATOM 373 CD GLN B 4 -13.333 1.457 -12.045 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.265 2.274 -12.938 1.00 25.00 O ATOM 375 NE2 GLN B 4 -14.120 1.647 -11.006 1.00 25.00 N ATOM 0 H GLN B 4 -9.830 2.764 -14.128 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.848 2.330 -12.153 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -11.431 0.353 -13.915 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.619 -0.633 -12.715 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -13.092 -0.617 -12.430 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -12.245 -0.042 -11.007 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -14.164 0.948 -10.265 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -14.686 2.493 -10.943 1.00 25.00 H new ATOM 384 N HIS B 5 -9.551 0.169 -10.498 1.00 25.00 N ATOM 385 CA HIS B 5 -8.694 -0.177 -9.333 1.00 25.00 C ATOM 386 C HIS B 5 -7.919 -1.426 -9.639 1.00 25.00 C ATOM 387 O HIS B 5 -8.226 -2.523 -9.146 1.00 25.00 O ATOM 388 CB HIS B 5 -9.532 -0.455 -8.075 1.00 25.00 C ATOM 389 CG HIS B 5 -10.279 0.726 -7.584 1.00 25.00 C ATOM 390 ND1 HIS B 5 -9.880 1.465 -6.485 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.409 1.313 -8.003 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.728 2.461 -6.328 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.673 2.358 -7.208 1.00 25.00 N ATOM 0 H HIS B 5 -10.348 -0.455 -10.622 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.035 0.672 -9.149 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.238 -1.257 -8.290 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.874 -0.813 -7.283 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.069 1.272 -5.897 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.008 0.995 -8.844 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -10.648 3.240 -5.584 1.00 25.00 H new ATOM 402 N LEU B 6 -6.925 -1.258 -10.492 1.00 25.00 N ATOM 403 CA LEU B 6 -6.066 -2.380 -10.924 1.00 25.00 C ATOM 404 C LEU B 6 -5.380 -2.880 -9.652 1.00 25.00 C ATOM 405 O LEU B 6 -4.878 -2.058 -8.826 1.00 25.00 O ATOM 406 CB LEU B 6 -4.985 -1.910 -11.890 1.00 25.00 C ATOM 407 CG LEU B 6 -5.328 -1.476 -13.320 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.083 -0.847 -14.021 1.00 25.00 C ATOM 409 CD2 LEU B 6 -5.851 -2.662 -14.149 1.00 25.00 C ATOM 0 H LEU B 6 -6.681 -0.359 -10.908 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.659 -3.142 -11.429 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.479 -1.069 -11.416 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.257 -2.717 -11.969 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.115 -0.724 -13.256 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.349 -0.546 -15.034 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.751 0.026 -13.459 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.278 -1.581 -14.060 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -6.086 -2.325 -15.158 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.088 -3.439 -14.195 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.750 -3.064 -13.682 1.00 25.00 H new ATOM 421 N CYS B 7 -5.425 -4.150 -9.415 1.00 25.00 N ATOM 422 CA CYS B 7 -4.913 -4.708 -8.206 1.00 25.00 C ATOM 423 C CYS B 7 -4.584 -6.175 -8.511 1.00 25.00 C ATOM 424 O CYS B 7 -5.053 -6.696 -9.541 1.00 25.00 O ATOM 425 CB CYS B 7 -5.964 -4.619 -7.094 1.00 25.00 C ATOM 426 SG CYS B 7 -5.272 -4.267 -5.458 1.00 25.00 S ATOM 0 H CYS B 7 -5.821 -4.835 -10.059 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.030 -4.168 -7.865 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.683 -3.841 -7.349 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.514 -5.559 -7.051 1.00 25.00 H new HETATM 431 N AIB B 8 -3.918 -6.859 -7.601 1.00 25.00 N HETATM 432 CA AIB B 8 -3.611 -8.322 -7.636 1.00 25.00 C HETATM 433 C AIB B 8 -3.126 -8.833 -9.062 1.00 25.00 C HETATM 434 O AIB B 8 -2.296 -8.200 -9.706 1.00 25.00 O HETATM 435 CB1 AIB B 8 -4.884 -9.086 -7.131 1.00 25.00 C HETATM 436 CB2 AIB B 8 -2.462 -8.575 -6.616 1.00 25.00 C HETATM 0 H AIB B 8 -3.547 -6.409 -6.764 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.693 -10.159 -7.144 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -5.118 -8.771 -6.114 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -5.727 -8.859 -7.784 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -2.207 -9.635 -6.611 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -1.586 -7.992 -6.902 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -2.787 -8.275 -5.620 1.00 25.00 H new ATOM 444 N SER B 9 -3.655 -10.014 -9.526 1.00 25.00 N ATOM 445 CA SER B 9 -3.143 -10.707 -10.727 1.00 25.00 C ATOM 446 C SER B 9 -3.200 -9.786 -11.956 1.00 25.00 C ATOM 447 O SER B 9 -2.385 -9.844 -12.886 1.00 25.00 O ATOM 448 CB SER B 9 -3.964 -12.005 -11.011 1.00 25.00 C ATOM 449 OG SER B 9 -3.362 -12.720 -12.083 1.00 25.00 O ATOM 0 H SER B 9 -4.435 -10.493 -9.076 1.00 25.00 H new ATOM 0 HA SER B 9 -2.105 -10.978 -10.534 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.999 -12.629 -10.118 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.993 -11.750 -11.262 1.00 25.00 H new ATOM 0 HG SER B 9 -3.875 -13.536 -12.261 1.00 25.00 H new ATOM 455 N HIS B 10 -4.210 -8.921 -11.964 1.00 25.00 N ATOM 456 CA HIS B 10 -4.377 -7.975 -13.054 1.00 25.00 C ATOM 457 C HIS B 10 -3.276 -6.926 -13.055 1.00 25.00 C ATOM 458 O HIS B 10 -2.775 -6.507 -14.087 1.00 25.00 O ATOM 459 CB HIS B 10 -5.722 -7.314 -12.910 1.00 25.00 C ATOM 460 CG HIS B 10 -6.835 -8.285 -12.549 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.279 -9.278 -13.420 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.608 -8.423 -11.441 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.306 -9.915 -12.844 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.495 -9.435 -11.642 1.00 25.00 N ATOM 0 H HIS B 10 -4.918 -8.858 -11.233 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.316 -8.511 -14.001 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.659 -6.543 -12.142 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.975 -6.814 -13.845 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.531 -7.826 -10.545 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.888 -10.702 -13.300 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.189 -9.763 -10.970 1.00 25.00 H new ATOM 473 N LEU B 11 -2.895 -6.471 -11.864 1.00 25.00 N ATOM 474 CA LEU B 11 -1.849 -5.441 -11.789 1.00 25.00 C ATOM 475 C LEU B 11 -0.480 -6.028 -12.147 1.00 25.00 C ATOM 476 O LEU B 11 0.252 -5.436 -12.925 1.00 25.00 O ATOM 477 CB LEU B 11 -1.836 -4.830 -10.379 1.00 25.00 C ATOM 478 CG LEU B 11 -0.756 -3.743 -10.155 1.00 25.00 C ATOM 479 CD1 LEU B 11 -1.319 -2.611 -9.353 1.00 25.00 C ATOM 480 CD2 LEU B 11 0.440 -4.330 -9.431 1.00 25.00 C ATOM 0 H LEU B 11 -3.273 -6.780 -10.968 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.067 -4.656 -12.513 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.816 -4.397 -10.176 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.684 -5.629 -9.653 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.437 -3.370 -11.128 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.550 -1.854 -9.203 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.162 -2.171 -9.886 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -1.656 -2.983 -8.385 1.00 25.00 H new ATOM 0 HD21 LEU B 11 1.191 -3.554 -9.281 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.124 -4.721 -8.464 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.866 -5.137 -10.027 1.00 25.00 H new ATOM 492 N VAL B 12 -0.195 -7.232 -11.677 1.00 25.00 N ATOM 493 CA VAL B 12 1.027 -7.941 -12.067 1.00 25.00 C ATOM 494 C VAL B 12 1.095 -8.169 -13.606 1.00 25.00 C ATOM 495 O VAL B 12 2.144 -7.915 -14.213 1.00 25.00 O ATOM 496 CB VAL B 12 1.067 -9.324 -11.344 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.246 -10.163 -11.868 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.095 -9.149 -9.826 1.00 25.00 C ATOM 0 H VAL B 12 -0.789 -7.744 -11.025 1.00 25.00 H new ATOM 0 HA VAL B 12 1.881 -7.328 -11.778 1.00 25.00 H new ATOM 0 HB VAL B 12 0.153 -9.872 -11.572 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.264 -11.125 -11.356 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.130 -10.324 -12.940 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.181 -9.635 -11.679 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.123 -10.128 -9.347 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.981 -8.581 -9.542 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.202 -8.613 -9.505 1.00 25.00 H new ATOM 508 N GLU B 13 -0.014 -8.588 -14.219 1.00 25.00 N ATOM 509 CA GLU B 13 -0.026 -8.782 -15.681 1.00 25.00 C ATOM 510 C GLU B 13 0.258 -7.490 -16.432 1.00 25.00 C ATOM 511 O GLU B 13 0.950 -7.458 -17.464 1.00 25.00 O ATOM 512 CB GLU B 13 -1.371 -9.362 -16.148 1.00 25.00 C ATOM 513 CG GLU B 13 -1.433 -9.499 -17.723 1.00 25.00 C ATOM 514 CD GLU B 13 -2.712 -10.131 -18.203 1.00 25.00 C ATOM 515 OE1 GLU B 13 -2.784 -11.295 -18.455 1.00 25.00 O ATOM 516 OE2 GLU B 13 -3.704 -9.307 -18.279 1.00 25.00 O ATOM 0 H GLU B 13 -0.894 -8.796 -13.748 1.00 25.00 H new ATOM 0 HA GLU B 13 0.771 -9.490 -15.908 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.524 -10.340 -15.691 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.183 -8.720 -15.806 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.329 -8.512 -18.173 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.587 -10.096 -18.065 1.00 25.00 H new ATOM 524 N ALA B 14 -0.352 -6.417 -15.934 1.00 25.00 N ATOM 525 CA ALA B 14 -0.182 -5.109 -16.553 1.00 25.00 C ATOM 526 C ALA B 14 1.235 -4.565 -16.398 1.00 25.00 C ATOM 527 O ALA B 14 1.797 -3.985 -17.360 1.00 25.00 O ATOM 528 CB ALA B 14 -1.219 -4.156 -15.985 1.00 25.00 C ATOM 0 H ALA B 14 -0.960 -6.428 -15.115 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.336 -5.212 -17.627 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.100 -3.174 -16.442 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.218 -4.536 -16.198 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.085 -4.073 -14.907 1.00 25.00 H new ATOM 534 N LEU B 15 1.848 -4.796 -15.260 1.00 25.00 N ATOM 535 CA LEU B 15 3.192 -4.309 -15.039 1.00 25.00 C ATOM 536 C LEU B 15 4.153 -5.097 -15.910 1.00 25.00 C ATOM 537 O LEU B 15 5.088 -4.529 -16.518 1.00 25.00 O ATOM 538 CB LEU B 15 3.597 -4.494 -13.567 1.00 25.00 C ATOM 539 CG LEU B 15 4.065 -3.184 -12.931 1.00 25.00 C ATOM 540 CD1 LEU B 15 3.819 -3.300 -11.405 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.488 -2.900 -13.251 1.00 25.00 C ATOM 0 H LEU B 15 1.443 -5.313 -14.479 1.00 25.00 H new ATOM 0 HA LEU B 15 3.227 -3.249 -15.289 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.750 -4.887 -13.005 1.00 25.00 H new ATOM 0 HB3 LEU B 15 4.395 -5.234 -13.501 1.00 25.00 H new ATOM 0 HG LEU B 15 3.503 -2.341 -13.333 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.141 -2.382 -10.914 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.757 -3.458 -11.219 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.386 -4.142 -11.008 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.786 -1.962 -12.783 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.114 -3.709 -12.874 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.609 -2.821 -14.331 1.00 25.00 H new ATOM 553 N TYR B 16 3.928 -6.402 -16.013 1.00 25.00 N ATOM 554 CA TYR B 16 4.754 -7.234 -16.843 1.00 25.00 C ATOM 555 C TYR B 16 4.632 -6.741 -18.286 1.00 25.00 C ATOM 556 O TYR B 16 5.610 -6.664 -19.011 1.00 25.00 O ATOM 557 CB TYR B 16 4.222 -8.666 -16.750 1.00 25.00 C ATOM 558 CG TYR B 16 5.049 -9.667 -17.533 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.350 -10.059 -17.102 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.548 -10.272 -18.691 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.119 -11.039 -17.808 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.303 -11.245 -19.379 1.00 25.00 C ATOM 563 CZ TYR B 16 6.582 -11.595 -18.951 1.00 25.00 C ATOM 564 OH TYR B 16 7.253 -12.510 -19.738 1.00 25.00 O ATOM 0 H TYR B 16 3.178 -6.895 -15.528 1.00 25.00 H new ATOM 0 HA TYR B 16 5.796 -7.198 -16.526 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.194 -8.968 -15.703 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.195 -8.689 -17.116 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.768 -9.603 -16.217 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.573 -9.991 -19.062 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.095 -11.336 -17.455 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.883 -11.726 -20.250 1.00 25.00 H new ATOM 0 HH TYR B 16 6.685 -12.770 -20.493 1.00 25.00 H new ATOM 574 N LEU B 17 3.433 -6.361 -18.688 1.00 25.00 N ATOM 575 CA LEU B 17 3.214 -5.875 -20.046 1.00 25.00 C ATOM 576 C LEU B 17 3.885 -4.540 -20.394 1.00 25.00 C ATOM 577 O LEU B 17 4.528 -4.416 -21.463 1.00 25.00 O ATOM 578 CB LEU B 17 1.706 -5.702 -20.295 1.00 25.00 C ATOM 579 CG LEU B 17 0.916 -6.949 -20.762 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.639 -6.724 -20.724 1.00 25.00 C ATOM 581 CD2 LEU B 17 1.314 -7.238 -22.222 1.00 25.00 C ATOM 0 H LEU B 17 2.599 -6.378 -18.101 1.00 25.00 H new ATOM 0 HA LEU B 17 3.673 -6.634 -20.679 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.251 -5.340 -19.373 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.575 -4.920 -21.043 1.00 25.00 H new ATOM 0 HG LEU B 17 1.155 -7.772 -20.089 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.146 -7.628 -21.061 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.948 -6.493 -19.705 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.903 -5.894 -21.380 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.772 -8.113 -22.580 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.066 -6.378 -22.844 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.386 -7.427 -22.276 1.00 25.00 H new ATOM 593 N VAL B 18 3.853 -3.568 -19.503 1.00 25.00 N ATOM 594 CA VAL B 18 4.517 -2.265 -19.780 1.00 25.00 C ATOM 595 C VAL B 18 6.025 -2.319 -19.612 1.00 25.00 C ATOM 596 O VAL B 18 6.736 -1.522 -20.211 1.00 25.00 O ATOM 597 CB VAL B 18 3.959 -1.141 -18.872 1.00 25.00 C ATOM 598 CG1 VAL B 18 2.433 -0.995 -19.035 1.00 25.00 C ATOM 599 CG2 VAL B 18 4.304 -1.390 -17.390 1.00 25.00 C ATOM 0 H VAL B 18 3.391 -3.631 -18.596 1.00 25.00 H new ATOM 0 HA VAL B 18 4.296 -2.046 -20.825 1.00 25.00 H new ATOM 0 HB VAL B 18 4.435 -0.212 -19.187 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.072 -0.198 -18.385 1.00 25.00 H new ATOM 0 HG12 VAL B 18 2.199 -0.751 -20.071 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.947 -1.932 -18.764 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.897 -0.582 -16.781 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.872 -2.338 -17.070 1.00 25.00 H new ATOM 0 HG23 VAL B 18 5.387 -1.425 -17.269 1.00 25.00 H new ATOM 609 N CYS B 19 6.527 -3.234 -18.761 1.00 25.00 N ATOM 610 CA CYS B 19 7.959 -3.300 -18.514 1.00 25.00 C ATOM 611 C CYS B 19 8.625 -4.207 -19.511 1.00 25.00 C ATOM 612 O CYS B 19 9.730 -3.964 -19.991 1.00 25.00 O ATOM 613 CB CYS B 19 8.270 -3.749 -17.090 1.00 25.00 C ATOM 614 SG CYS B 19 9.893 -3.174 -16.505 1.00 25.00 S ATOM 0 H CYS B 19 5.969 -3.917 -18.249 1.00 25.00 H new ATOM 0 HA CYS B 19 8.358 -2.293 -18.633 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.495 -3.377 -16.420 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.237 -4.837 -17.042 1.00 25.00 H new ATOM 619 N GLY B 20 7.958 -5.296 -19.814 1.00 25.00 N ATOM 620 CA GLY B 20 8.425 -6.237 -20.839 1.00 25.00 C ATOM 621 C GLY B 20 8.580 -7.617 -20.259 1.00 25.00 C ATOM 622 O GLY B 20 8.391 -7.824 -19.081 1.00 25.00 O ATOM 0 H GLY B 20 7.081 -5.565 -19.368 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.717 -6.262 -21.667 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.378 -5.898 -21.245 1.00 25.00 H new ATOM 626 N GLU B 21 8.995 -8.580 -21.083 1.00 25.00 N ATOM 627 CA GLU B 21 9.173 -9.935 -20.621 1.00 25.00 C ATOM 628 C GLU B 21 10.385 -10.060 -19.664 1.00 25.00 C ATOM 629 O GLU B 21 10.686 -11.131 -19.178 1.00 25.00 O ATOM 630 CB GLU B 21 9.371 -10.899 -21.788 1.00 25.00 C ATOM 631 CG GLU B 21 8.175 -10.956 -22.716 1.00 25.00 C ATOM 632 CD GLU B 21 8.384 -11.864 -23.885 1.00 25.00 C ATOM 633 OE1 GLU B 21 9.497 -12.245 -24.223 1.00 25.00 O ATOM 634 OE2 GLU B 21 7.302 -12.115 -24.554 1.00 25.00 O ATOM 0 H GLU B 21 9.211 -8.436 -22.069 1.00 25.00 H new ATOM 0 HA GLU B 21 8.263 -10.197 -20.082 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.251 -10.598 -22.356 1.00 25.00 H new ATOM 0 HB3 GLU B 21 9.570 -11.897 -21.398 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.303 -11.291 -22.155 1.00 25.00 H new ATOM 0 HG3 GLU B 21 7.955 -9.952 -23.078 1.00 25.00 H new ATOM 642 N ARG B 22 11.088 -8.922 -19.441 1.00 25.00 N ATOM 643 CA ARG B 22 12.301 -8.903 -18.622 1.00 25.00 C ATOM 644 C ARG B 22 11.939 -8.869 -17.154 1.00 25.00 C ATOM 645 O ARG B 22 12.802 -9.089 -16.325 1.00 25.00 O ATOM 646 CB ARG B 22 13.231 -7.723 -18.963 1.00 25.00 C ATOM 647 CG ARG B 22 13.051 -7.130 -20.390 1.00 25.00 C ATOM 648 CD ARG B 22 13.374 -8.147 -21.516 1.00 25.00 C ATOM 649 NE ARG B 22 14.817 -8.469 -21.505 1.00 25.00 N ATOM 650 CZ ARG B 22 15.419 -9.310 -22.372 1.00 25.00 C ATOM 651 NH1 ARG B 22 14.738 -9.981 -23.298 1.00 25.00 N ATOM 652 NH2 ARG B 22 16.733 -9.461 -22.332 1.00 25.00 N ATOM 0 H ARG B 22 10.827 -8.012 -19.821 1.00 25.00 H new ATOM 0 HA ARG B 22 12.849 -9.818 -18.846 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.067 -6.930 -18.234 1.00 25.00 H new ATOM 0 HB3 ARG B 22 14.264 -8.051 -18.851 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.024 -6.782 -20.506 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.697 -6.259 -20.499 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.789 -9.056 -21.376 1.00 25.00 H new ATOM 0 HD3 ARG B 22 13.092 -7.733 -22.484 1.00 25.00 H new ATOM 0 HE ARG B 22 15.397 -8.025 -20.793 1.00 25.00 H new ATOM 0 HH11 ARG B 22 13.727 -9.868 -23.369 1.00 25.00 H new ATOM 0 HH12 ARG B 22 15.227 -10.608 -23.936 1.00 25.00 H new ATOM 0 HH21 ARG B 22 17.285 -8.943 -21.648 1.00 25.00 H new ATOM 0 HH22 ARG B 22 17.194 -10.095 -22.985 1.00 25.00 H new ATOM 666 N GLY B 23 10.690 -8.645 -16.856 1.00 25.00 N ATOM 667 CA GLY B 23 10.253 -8.622 -15.458 1.00 25.00 C ATOM 668 C GLY B 23 10.285 -7.190 -14.938 1.00 25.00 C ATOM 669 O GLY B 23 10.468 -6.275 -15.774 1.00 25.00 O ATOM 0 H GLY B 23 9.953 -8.476 -17.541 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.245 -9.028 -15.375 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.902 -9.254 -14.853 1.00 25.00 H new ATOM 673 N PHE B 24 10.100 -6.958 -13.649 1.00 25.00 N ATOM 674 CA PHE B 24 10.069 -5.590 -13.082 1.00 25.00 C ATOM 675 C PHE B 24 10.504 -5.692 -11.630 1.00 25.00 C ATOM 676 O PHE B 24 11.037 -6.735 -11.210 1.00 25.00 O ATOM 677 CB PHE B 24 8.648 -4.963 -13.255 1.00 25.00 C ATOM 678 CG PHE B 24 7.527 -5.793 -12.686 1.00 25.00 C ATOM 679 CD1 PHE B 24 6.888 -6.763 -13.489 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.056 -5.596 -11.346 1.00 25.00 C ATOM 681 CE1 PHE B 24 5.822 -7.568 -12.935 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.001 -6.402 -10.823 1.00 25.00 C ATOM 683 CZ PHE B 24 5.381 -7.355 -11.625 1.00 25.00 C ATOM 0 H PHE B 24 9.966 -7.696 -12.958 1.00 25.00 H new ATOM 0 HA PHE B 24 10.752 -4.921 -13.606 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.636 -3.983 -12.778 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.462 -4.803 -14.317 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.195 -6.903 -14.515 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.503 -4.832 -10.728 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.363 -8.339 -13.537 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.682 -6.272 -9.799 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.556 -7.932 -11.234 1.00 25.00 H new ATOM 693 N PHE B 25 10.402 -4.593 -10.882 1.00 25.00 N ATOM 694 CA PHE B 25 10.863 -4.546 -9.490 1.00 25.00 C ATOM 695 C PHE B 25 9.986 -5.400 -8.547 1.00 25.00 C ATOM 696 O PHE B 25 9.115 -6.124 -9.015 1.00 25.00 O ATOM 697 CB PHE B 25 10.879 -3.086 -9.028 1.00 25.00 C ATOM 698 CG PHE B 25 12.217 -2.593 -8.561 1.00 25.00 C ATOM 699 CD1 PHE B 25 13.169 -2.126 -9.495 1.00 25.00 C ATOM 700 CD2 PHE B 25 12.575 -2.642 -7.196 1.00 25.00 C ATOM 701 CE1 PHE B 25 14.448 -1.728 -9.064 1.00 25.00 C ATOM 702 CE2 PHE B 25 13.830 -2.183 -6.761 1.00 25.00 C ATOM 703 CZ PHE B 25 14.782 -1.760 -7.689 1.00 25.00 C ATOM 0 H PHE B 25 10.002 -3.717 -11.218 1.00 25.00 H new ATOM 0 HA PHE B 25 11.866 -4.970 -9.448 1.00 25.00 H new ATOM 0 HB2 PHE B 25 10.541 -2.455 -9.850 1.00 25.00 H new ATOM 0 HB3 PHE B 25 10.160 -2.967 -8.218 1.00 25.00 H new ATOM 0 HD1 PHE B 25 12.914 -2.074 -10.543 1.00 25.00 H new ATOM 0 HD2 PHE B 25 11.874 -3.038 -6.476 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.179 -1.396 -9.787 1.00 25.00 H new ATOM 0 HE2 PHE B 25 14.058 -2.158 -5.706 1.00 25.00 H new ATOM 0 HZ PHE B 25 15.766 -1.459 -7.361 1.00 25.00 H new ATOM 713 N TYR B 26 10.215 -5.228 -7.238 1.00 25.00 N ATOM 714 CA TYR B 26 9.388 -5.841 -6.137 1.00 25.00 C ATOM 715 C TYR B 26 9.612 -7.347 -5.915 1.00 25.00 C ATOM 716 O TYR B 26 9.156 -8.159 -6.711 1.00 25.00 O ATOM 717 CB TYR B 26 7.895 -5.516 -6.314 1.00 25.00 C ATOM 718 CG TYR B 26 7.051 -6.075 -5.196 1.00 25.00 C ATOM 719 CD1 TYR B 26 6.832 -5.320 -4.017 1.00 25.00 C ATOM 720 CD2 TYR B 26 6.462 -7.368 -5.271 1.00 25.00 C ATOM 721 CE1 TYR B 26 6.070 -5.851 -2.913 1.00 25.00 C ATOM 722 CE2 TYR B 26 5.716 -7.911 -4.181 1.00 25.00 C ATOM 723 CZ TYR B 26 5.543 -7.101 -2.987 1.00 25.00 C ATOM 724 OH TYR B 26 4.831 -7.615 -1.929 1.00 25.00 O ATOM 0 H TYR B 26 10.984 -4.656 -6.888 1.00 25.00 H new ATOM 0 HA TYR B 26 9.749 -5.370 -5.222 1.00 25.00 H new ATOM 0 HB2 TYR B 26 7.764 -4.435 -6.360 1.00 25.00 H new ATOM 0 HB3 TYR B 26 7.548 -5.920 -7.265 1.00 25.00 H new ATOM 0 HD1 TYR B 26 7.245 -4.325 -3.943 1.00 25.00 H new ATOM 0 HD2 TYR B 26 6.582 -7.952 -6.172 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.918 -5.254 -2.026 1.00 25.00 H new ATOM 0 HE2 TYR B 26 5.290 -8.901 -4.243 1.00 25.00 H new ATOM 0 HH TYR B 26 4.524 -8.519 -2.150 1.00 25.00 H new ATOM 734 N THR B 27 10.322 -7.695 -4.856 1.00 25.00 N ATOM 735 CA THR B 27 10.601 -9.111 -4.507 1.00 25.00 C ATOM 736 C THR B 27 11.219 -9.914 -5.629 1.00 25.00 C ATOM 737 O THR B 27 10.585 -10.751 -6.283 1.00 25.00 O ATOM 738 CB THR B 27 9.312 -9.783 -4.038 1.00 25.00 C ATOM 739 OG1 THR B 27 8.637 -8.843 -3.184 1.00 25.00 O ATOM 740 CG2 THR B 27 9.541 -11.093 -3.206 1.00 25.00 C ATOM 0 H THR B 27 10.727 -7.022 -4.206 1.00 25.00 H new ATOM 0 HA THR B 27 11.343 -9.090 -3.709 1.00 25.00 H new ATOM 0 HB THR B 27 8.746 -10.064 -4.926 1.00 25.00 H new ATOM 0 HG1 THR B 27 7.820 -8.529 -3.624 1.00 25.00 H new ATOM 0 HG21 THR B 27 8.578 -11.509 -2.910 1.00 25.00 H new ATOM 0 HG22 THR B 27 10.080 -11.820 -3.813 1.00 25.00 H new ATOM 0 HG23 THR B 27 10.125 -10.861 -2.315 1.00 25.00 H new ATOM 748 N LYS B 28 12.523 -9.701 -5.824 1.00 25.00 N ATOM 749 CA LYS B 28 13.256 -10.476 -6.814 1.00 25.00 C ATOM 750 C LYS B 28 13.177 -11.987 -6.477 1.00 25.00 C ATOM 751 O LYS B 28 13.539 -12.373 -5.376 1.00 25.00 O ATOM 752 CB LYS B 28 14.752 -10.089 -6.746 1.00 25.00 C ATOM 753 CG LYS B 28 15.072 -8.764 -7.439 1.00 25.00 C ATOM 754 CD LYS B 28 16.424 -8.250 -7.151 1.00 25.00 C ATOM 755 CE LYS B 28 17.501 -9.108 -7.886 1.00 25.00 C ATOM 756 NZ LYS B 28 18.959 -8.641 -7.620 1.00 25.00 N ATOM 0 H LYS B 28 13.079 -9.012 -5.318 1.00 25.00 H new ATOM 0 HA LYS B 28 12.826 -10.276 -7.795 1.00 25.00 H new ATOM 0 HB2 LYS B 28 15.056 -10.026 -5.701 1.00 25.00 H new ATOM 0 HB3 LYS B 28 15.345 -10.881 -7.203 1.00 25.00 H new ATOM 0 HG2 LYS B 28 14.965 -8.893 -8.516 1.00 25.00 H new ATOM 0 HG3 LYS B 28 14.338 -8.019 -7.133 1.00 25.00 H new ATOM 0 HD2 LYS B 28 16.500 -7.210 -7.469 1.00 25.00 H new ATOM 0 HD3 LYS B 28 16.606 -8.269 -6.076 1.00 25.00 H new ATOM 0 HE2 LYS B 28 17.399 -10.148 -7.575 1.00 25.00 H new ATOM 0 HE3 LYS B 28 17.308 -9.076 -8.958 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 19.620 -9.254 -8.138 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 19.073 -7.659 -7.942 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 19.161 -8.697 -6.601 1.00 25.00 H new ATOM 770 N PRO B 29 12.832 -12.837 -7.468 1.00 25.00 N ATOM 771 CA PRO B 29 12.837 -14.304 -7.257 1.00 25.00 C ATOM 772 C PRO B 29 14.236 -14.947 -7.274 1.00 25.00 C ATOM 773 O PRO B 29 14.553 -15.827 -8.028 1.00 25.00 O ATOM 774 CB PRO B 29 11.993 -14.817 -8.430 1.00 25.00 C ATOM 775 CG PRO B 29 11.299 -13.594 -9.025 1.00 25.00 C ATOM 776 CD PRO B 29 12.311 -12.521 -8.818 1.00 25.00 C ATOM 0 HA PRO B 29 12.455 -14.560 -6.269 1.00 25.00 H new ATOM 0 HB2 PRO B 29 12.619 -15.309 -9.174 1.00 25.00 H new ATOM 0 HB3 PRO B 29 11.263 -15.552 -8.092 1.00 25.00 H new ATOM 0 HG2 PRO B 29 11.064 -13.733 -10.080 1.00 25.00 H new ATOM 0 HG3 PRO B 29 10.361 -13.372 -8.516 1.00 25.00 H new ATOM 0 HD2 PRO B 29 13.096 -12.550 -9.574 1.00 25.00 H new ATOM 0 HD3 PRO B 29 11.865 -11.527 -8.860 1.00 25.00 H new ATOM 784 N THR B 30 15.130 -14.516 -6.367 1.00 25.00 N ATOM 785 CA THR B 30 16.483 -15.020 -6.295 1.00 25.00 C ATOM 786 C THR B 30 17.121 -14.665 -4.962 1.00 25.00 C ATOM 787 O THR B 30 17.073 -13.558 -4.488 1.00 25.00 O ATOM 788 CB THR B 30 17.379 -14.551 -7.475 1.00 25.00 C ATOM 789 OG1 THR B 30 18.717 -14.835 -7.112 1.00 25.00 O ATOM 790 CG2 THR B 30 17.225 -13.093 -7.833 1.00 25.00 C ATOM 791 OXT THR B 30 17.828 -15.621 -4.412 1.00 25.00 O ATOM 0 H THR B 30 14.918 -13.805 -5.667 1.00 25.00 H new ATOM 0 HA THR B 30 16.409 -16.104 -6.378 1.00 25.00 H new ATOM 0 HB THR B 30 17.071 -15.086 -8.373 1.00 25.00 H new ATOM 0 HG1 THR B 30 19.318 -14.554 -7.833 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.886 -12.851 -8.665 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.192 -12.896 -8.120 1.00 25.00 H new ATOM 0 HG23 THR B 30 17.486 -12.477 -6.972 1.00 25.00 H new TER 800 THR B 30