USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 457 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.207 (180deg=0.169) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 120:sc= -1.56 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -113:sc= 0.157 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 44:sc= -1.62! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.554 X(o=-0.55,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.669 -13.000 6.888 1.00 0.00 N ATOM 2 CA MET A 1 -7.598 -12.311 6.122 1.00 0.00 C ATOM 3 C MET A 1 -7.656 -10.802 6.330 1.00 0.00 C ATOM 4 O MET A 1 -8.533 -10.294 7.028 1.00 0.00 O ATOM 5 CB MET A 1 -7.756 -12.646 4.635 1.00 0.00 C ATOM 6 CG MET A 1 -9.136 -13.164 4.263 1.00 0.00 C ATOM 7 SD MET A 1 -10.419 -11.906 4.424 1.00 0.00 S ATOM 8 CE MET A 1 -11.850 -12.927 4.767 1.00 0.00 C ATOM 0 H1 MET A 1 -8.595 -14.027 6.741 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.564 -12.786 7.900 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.599 -12.669 6.559 1.00 0.00 H new ATOM 0 HA MET A 1 -6.628 -12.657 6.480 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.543 -11.753 4.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.012 -13.394 4.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.118 -13.529 3.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.384 -14.014 4.899 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.728 -12.293 4.892 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.014 -13.614 3.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.680 -13.496 5.681 1.00 0.00 H new ATOM 20 N TYR A 2 -6.709 -10.093 5.726 1.00 0.00 N ATOM 21 CA TYR A 2 -6.644 -8.641 5.845 1.00 0.00 C ATOM 22 C TYR A 2 -6.385 -7.990 4.491 1.00 0.00 C ATOM 23 O TYR A 2 -5.946 -8.645 3.543 1.00 0.00 O ATOM 24 CB TYR A 2 -5.547 -8.236 6.833 1.00 0.00 C ATOM 25 CG TYR A 2 -5.859 -8.589 8.271 1.00 0.00 C ATOM 26 CD1 TYR A 2 -7.022 -8.138 8.883 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.987 -9.372 9.016 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.308 -8.460 10.197 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.265 -9.698 10.330 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.427 -9.239 10.915 1.00 0.00 C ATOM 31 OH TYR A 2 -6.708 -9.561 12.223 1.00 0.00 O ATOM 0 H TYR A 2 -5.974 -10.501 5.148 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.608 -8.293 6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.614 -8.720 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.384 -7.161 6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.714 -7.526 8.323 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.076 -9.732 8.561 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.217 -8.103 10.658 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.577 -10.308 10.895 1.00 0.00 H new ATOM 0 HH TYR A 2 -5.987 -10.117 12.585 1.00 0.00 H new ATOM 41 N ILE A 3 -6.659 -6.695 4.413 1.00 0.00 N ATOM 42 CA ILE A 3 -6.473 -5.932 3.186 1.00 0.00 C ATOM 43 C ILE A 3 -5.651 -4.675 3.455 1.00 0.00 C ATOM 44 O ILE A 3 -5.598 -4.194 4.587 1.00 0.00 O ATOM 45 CB ILE A 3 -7.832 -5.528 2.589 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.694 -4.850 3.658 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.547 -6.746 2.025 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.642 -3.808 3.108 1.00 0.00 C ATOM 0 H ILE A 3 -7.015 -6.145 5.195 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.941 -6.566 2.476 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.662 -4.822 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.271 -5.611 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.041 -4.381 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.507 -6.443 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.936 -7.197 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.711 -7.472 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.218 -3.373 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.072 -3.025 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.321 -4.274 2.394 1.00 0.00 H new ATOM 60 N ILE A 4 -5.020 -4.132 2.415 1.00 0.00 N ATOM 61 CA ILE A 4 -4.209 -2.930 2.571 1.00 0.00 C ATOM 62 C ILE A 4 -4.675 -1.823 1.619 1.00 0.00 C ATOM 63 O ILE A 4 -5.085 -2.086 0.490 1.00 0.00 O ATOM 64 CB ILE A 4 -2.708 -3.241 2.353 1.00 0.00 C ATOM 65 CG1 ILE A 4 -2.103 -3.810 3.640 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.934 -2.005 1.915 1.00 0.00 C ATOM 67 CD1 ILE A 4 -2.055 -5.320 3.675 1.00 0.00 C ATOM 0 H ILE A 4 -5.055 -4.502 1.465 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.338 -2.574 3.593 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.632 -3.979 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.092 -3.421 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.683 -3.454 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.885 -2.264 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.346 -1.631 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.016 -1.234 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.614 -5.648 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.066 -5.718 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.450 -5.684 2.845 1.00 0.00 H new ATOM 79 N PHE A 5 -4.606 -0.582 2.089 1.00 0.00 N ATOM 80 CA PHE A 5 -5.045 0.571 1.305 1.00 0.00 C ATOM 81 C PHE A 5 -3.987 1.668 1.333 1.00 0.00 C ATOM 82 O PHE A 5 -2.837 1.414 1.692 1.00 0.00 O ATOM 83 CB PHE A 5 -6.371 1.117 1.838 1.00 0.00 C ATOM 84 CG PHE A 5 -6.737 0.647 3.219 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.191 -0.647 3.434 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.674 1.516 4.293 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.537 -1.071 4.701 1.00 0.00 C ATOM 88 CE2 PHE A 5 -7.031 1.100 5.561 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.456 -0.195 5.766 1.00 0.00 C ATOM 0 H PHE A 5 -4.248 -0.346 3.015 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.190 0.243 0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.325 2.206 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.167 0.833 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.274 -1.329 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.342 2.532 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.871 -2.086 4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.977 1.789 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.725 -0.525 6.759 1.00 0.00 H new ATOM 99 N ARG A 6 -4.370 2.890 0.961 1.00 0.00 N ATOM 100 CA ARG A 6 -3.413 3.994 0.928 1.00 0.00 C ATOM 101 C ARG A 6 -4.010 5.289 1.474 1.00 0.00 C ATOM 102 O ARG A 6 -5.094 5.702 1.072 1.00 0.00 O ATOM 103 CB ARG A 6 -2.922 4.218 -0.503 1.00 0.00 C ATOM 104 CG ARG A 6 -1.662 3.439 -0.844 1.00 0.00 C ATOM 105 CD ARG A 6 -1.509 3.254 -2.345 1.00 0.00 C ATOM 106 NE ARG A 6 -1.700 4.506 -3.073 1.00 0.00 N ATOM 107 CZ ARG A 6 -0.794 5.477 -3.122 1.00 0.00 C ATOM 108 NH1 ARG A 6 0.364 5.342 -2.488 1.00 0.00 N ATOM 109 NH2 ARG A 6 -1.044 6.585 -3.806 1.00 0.00 N ATOM 0 H ARG A 6 -5.320 3.137 0.683 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.576 3.718 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.713 3.935 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.733 5.281 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.791 3.964 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.693 2.464 -0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.518 2.856 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.232 2.517 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.579 4.643 -3.572 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.561 4.491 -1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.057 6.089 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.932 6.693 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.348 7.330 -3.843 1.00 0.00 H new ATOM 123 N CYS A 7 -3.284 5.937 2.382 1.00 0.00 N ATOM 124 CA CYS A 7 -3.729 7.204 2.943 1.00 0.00 C ATOM 125 C CYS A 7 -3.460 8.334 1.956 1.00 0.00 C ATOM 126 O CYS A 7 -2.643 8.183 1.048 1.00 0.00 O ATOM 127 CB CYS A 7 -3.026 7.478 4.273 1.00 0.00 C ATOM 128 SG CYS A 7 -3.716 8.868 5.201 1.00 0.00 S ATOM 0 H CYS A 7 -2.389 5.605 2.742 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.802 7.147 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.078 6.581 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.971 7.672 4.081 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.141 8.450 6.356 1.00 0.00 H new ATOM 134 N ASP A 8 -4.112 9.476 2.166 1.00 0.00 N ATOM 135 CA ASP A 8 -3.962 10.614 1.263 1.00 0.00 C ATOM 136 C ASP A 8 -2.524 11.110 1.250 1.00 0.00 C ATOM 137 O ASP A 8 -2.042 11.622 0.239 1.00 0.00 O ATOM 138 CB ASP A 8 -4.902 11.749 1.680 1.00 0.00 C ATOM 139 CG ASP A 8 -5.240 12.672 0.525 1.00 0.00 C ATOM 140 OD1 ASP A 8 -4.305 13.253 -0.064 1.00 0.00 O ATOM 141 OD2 ASP A 8 -6.441 12.816 0.213 1.00 0.00 O ATOM 0 H ASP A 8 -4.746 9.637 2.949 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.223 10.286 0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.821 11.326 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.438 12.326 2.480 1.00 0.00 H new ATOM 146 N CYS A 9 -1.833 10.930 2.369 1.00 0.00 N ATOM 147 CA CYS A 9 -0.431 11.310 2.471 1.00 0.00 C ATOM 148 C CYS A 9 0.440 10.335 1.684 1.00 0.00 C ATOM 149 O CYS A 9 1.669 10.406 1.729 1.00 0.00 O ATOM 150 CB CYS A 9 0.002 11.320 3.936 1.00 0.00 C ATOM 151 SG CYS A 9 -0.840 12.557 4.949 1.00 0.00 S ATOM 0 H CYS A 9 -2.222 10.523 3.219 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.310 12.310 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.178 10.333 4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.076 11.497 3.984 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.406 12.484 6.172 1.00 0.00 H new ATOM 157 N GLY A 10 -0.213 9.413 0.984 1.00 0.00 N ATOM 158 CA GLY A 10 0.502 8.397 0.235 1.00 0.00 C ATOM 159 C GLY A 10 0.891 7.232 1.119 1.00 0.00 C ATOM 160 O GLY A 10 1.745 6.421 0.760 1.00 0.00 O ATOM 0 H GLY A 10 -1.229 9.352 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.121 8.041 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.396 8.833 -0.210 1.00 0.00 H new ATOM 164 N ARG A 11 0.301 7.192 2.311 1.00 0.00 N ATOM 165 CA ARG A 11 0.586 6.138 3.279 1.00 0.00 C ATOM 166 C ARG A 11 -0.189 4.864 2.958 1.00 0.00 C ATOM 167 O ARG A 11 -0.668 4.681 1.840 1.00 0.00 O ATOM 168 CB ARG A 11 0.253 6.614 4.695 1.00 0.00 C ATOM 169 CG ARG A 11 0.712 8.034 4.984 1.00 0.00 C ATOM 170 CD ARG A 11 2.223 8.115 5.126 1.00 0.00 C ATOM 171 NE ARG A 11 2.638 9.268 5.920 1.00 0.00 N ATOM 172 CZ ARG A 11 3.587 9.219 6.850 1.00 0.00 C ATOM 173 NH1 ARG A 11 4.217 8.080 7.102 1.00 0.00 N ATOM 174 NH2 ARG A 11 3.908 10.312 7.529 1.00 0.00 N ATOM 0 H ARG A 11 -0.380 7.881 2.630 1.00 0.00 H new ATOM 0 HA ARG A 11 1.650 5.909 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.825 6.552 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.715 5.938 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.386 8.693 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.240 8.390 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.592 7.202 5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.677 8.174 4.137 1.00 0.00 H new ATOM 0 HE ARG A 11 2.174 10.161 5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.974 7.237 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.944 8.047 7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.427 11.191 7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.636 10.274 8.242 1.00 0.00 H new ATOM 188 N ALA A 12 -0.301 3.986 3.952 1.00 0.00 N ATOM 189 CA ALA A 12 -1.025 2.729 3.793 1.00 0.00 C ATOM 190 C ALA A 12 -1.481 2.192 5.147 1.00 0.00 C ATOM 191 O ALA A 12 -0.895 2.519 6.179 1.00 0.00 O ATOM 192 CB ALA A 12 -0.155 1.704 3.082 1.00 0.00 C ATOM 0 H ALA A 12 0.102 4.123 4.879 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.910 2.918 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.708 0.772 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.122 2.082 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.746 1.523 3.668 1.00 0.00 H new ATOM 198 N LEU A 13 -2.528 1.370 5.140 1.00 0.00 N ATOM 199 CA LEU A 13 -3.038 0.781 6.377 1.00 0.00 C ATOM 200 C LEU A 13 -3.556 -0.635 6.140 1.00 0.00 C ATOM 201 O LEU A 13 -3.447 -1.168 5.035 1.00 0.00 O ATOM 202 CB LEU A 13 -4.144 1.656 6.971 1.00 0.00 C ATOM 203 CG LEU A 13 -3.653 2.817 7.838 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.790 3.790 8.117 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.061 2.299 9.139 1.00 0.00 C ATOM 0 H LEU A 13 -3.037 1.098 4.299 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.213 0.727 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.745 2.059 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.802 1.027 7.571 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.871 3.347 7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.424 4.610 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.169 4.187 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.593 3.271 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.717 3.139 9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.821 1.744 9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.220 1.642 8.920 1.00 0.00 H new ATOM 217 N TYR A 14 -4.111 -1.244 7.186 1.00 0.00 N ATOM 218 CA TYR A 14 -4.630 -2.607 7.094 1.00 0.00 C ATOM 219 C TYR A 14 -5.953 -2.754 7.844 1.00 0.00 C ATOM 220 O TYR A 14 -6.117 -2.232 8.947 1.00 0.00 O ATOM 221 CB TYR A 14 -3.604 -3.599 7.648 1.00 0.00 C ATOM 222 CG TYR A 14 -3.292 -3.404 9.116 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.403 -2.422 9.533 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.880 -4.209 10.083 1.00 0.00 C ATOM 225 CE1 TYR A 14 -2.113 -2.243 10.873 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.597 -4.037 11.425 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.713 -3.053 11.814 1.00 0.00 C ATOM 228 OH TYR A 14 -2.427 -2.879 13.149 1.00 0.00 O ATOM 0 H TYR A 14 -4.213 -0.816 8.106 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.813 -2.824 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.975 -4.613 7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.681 -3.509 7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.930 -1.787 8.798 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.570 -4.983 9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.421 -1.473 11.181 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.066 -4.670 12.164 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.933 -3.529 13.679 1.00 0.00 H new ATOM 238 N SER A 15 -6.891 -3.477 7.235 1.00 0.00 N ATOM 239 CA SER A 15 -8.197 -3.724 7.843 1.00 0.00 C ATOM 240 C SER A 15 -8.816 -4.995 7.274 1.00 0.00 C ATOM 241 O SER A 15 -8.165 -5.732 6.539 1.00 0.00 O ATOM 242 CB SER A 15 -9.134 -2.538 7.604 1.00 0.00 C ATOM 243 OG SER A 15 -10.271 -2.607 8.448 1.00 0.00 O ATOM 0 H SER A 15 -6.770 -3.904 6.317 1.00 0.00 H new ATOM 0 HA SER A 15 -8.055 -3.849 8.916 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.599 -1.606 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.452 -2.526 6.561 1.00 0.00 H new ATOM 0 HG SER A 15 -11.072 -2.761 7.905 1.00 0.00 H new ATOM 249 N ARG A 16 -10.071 -5.256 7.623 1.00 0.00 N ATOM 250 CA ARG A 16 -10.766 -6.434 7.120 1.00 0.00 C ATOM 251 C ARG A 16 -11.188 -6.235 5.667 1.00 0.00 C ATOM 252 O ARG A 16 -11.443 -5.111 5.234 1.00 0.00 O ATOM 253 CB ARG A 16 -11.991 -6.747 7.982 1.00 0.00 C ATOM 254 CG ARG A 16 -13.141 -5.773 7.782 1.00 0.00 C ATOM 255 CD ARG A 16 -14.391 -6.478 7.284 1.00 0.00 C ATOM 256 NE ARG A 16 -15.242 -5.589 6.497 1.00 0.00 N ATOM 257 CZ ARG A 16 -16.341 -5.008 6.971 1.00 0.00 C ATOM 258 NH1 ARG A 16 -16.723 -5.224 8.223 1.00 0.00 N ATOM 259 NH2 ARG A 16 -17.060 -4.211 6.194 1.00 0.00 N ATOM 0 H ARG A 16 -10.625 -4.671 8.249 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.077 -7.277 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.336 -7.756 7.755 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.698 -6.739 9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.358 -5.268 8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.847 -5.004 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.106 -7.338 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.955 -6.861 8.135 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.979 -5.403 5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.174 -5.837 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.566 -4.777 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.771 -4.042 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.902 -3.767 6.559 1.00 0.00 H new ATOM 273 N GLU A 17 -11.253 -7.333 4.923 1.00 0.00 N ATOM 274 CA GLU A 17 -11.646 -7.291 3.518 1.00 0.00 C ATOM 275 C GLU A 17 -13.011 -6.628 3.344 1.00 0.00 C ATOM 276 O GLU A 17 -14.037 -7.195 3.721 1.00 0.00 O ATOM 277 CB GLU A 17 -11.677 -8.708 2.938 1.00 0.00 C ATOM 278 CG GLU A 17 -12.104 -8.764 1.480 1.00 0.00 C ATOM 279 CD GLU A 17 -13.047 -9.915 1.193 1.00 0.00 C ATOM 280 OE1 GLU A 17 -12.660 -11.077 1.441 1.00 0.00 O ATOM 281 OE2 GLU A 17 -14.173 -9.656 0.718 1.00 0.00 O ATOM 0 H GLU A 17 -11.038 -8.268 5.270 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.908 -6.696 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.686 -9.152 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.359 -9.318 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.589 -7.826 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.220 -8.858 0.850 1.00 0.00 H new ATOM 288 N GLY A 18 -13.016 -5.434 2.758 1.00 0.00 N ATOM 289 CA GLY A 18 -14.264 -4.725 2.532 1.00 0.00 C ATOM 290 C GLY A 18 -14.120 -3.220 2.658 1.00 0.00 C ATOM 291 O GLY A 18 -15.032 -2.472 2.305 1.00 0.00 O ATOM 0 H GLY A 18 -12.180 -4.945 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.638 -4.967 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.009 -5.075 3.247 1.00 0.00 H new ATOM 295 N ALA A 19 -12.977 -2.776 3.169 1.00 0.00 N ATOM 296 CA ALA A 19 -12.723 -1.351 3.352 1.00 0.00 C ATOM 297 C ALA A 19 -12.452 -0.656 2.021 1.00 0.00 C ATOM 298 O ALA A 19 -11.392 -0.834 1.422 1.00 0.00 O ATOM 299 CB ALA A 19 -11.557 -1.141 4.305 1.00 0.00 C ATOM 0 H ALA A 19 -12.211 -3.382 3.464 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.619 -0.905 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.379 -0.073 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.792 -1.587 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.663 -1.612 3.896 1.00 0.00 H new ATOM 305 N LYS A 20 -13.415 0.140 1.568 1.00 0.00 N ATOM 306 CA LYS A 20 -13.275 0.887 0.321 1.00 0.00 C ATOM 307 C LYS A 20 -12.637 2.248 0.591 1.00 0.00 C ATOM 308 O LYS A 20 -11.796 2.725 -0.177 1.00 0.00 O ATOM 309 CB LYS A 20 -14.641 1.029 -0.358 1.00 0.00 C ATOM 310 CG LYS A 20 -15.218 2.432 -0.329 1.00 0.00 C ATOM 311 CD LYS A 20 -16.066 2.641 0.911 1.00 0.00 C ATOM 312 CE LYS A 20 -17.425 1.970 0.779 1.00 0.00 C ATOM 313 NZ LYS A 20 -18.479 2.689 1.548 1.00 0.00 N ATOM 0 H LYS A 20 -14.304 0.285 2.047 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.618 0.342 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.551 0.709 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.344 0.351 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.410 3.163 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.822 2.600 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.545 2.241 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.202 3.709 1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.708 1.928 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.357 0.941 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.389 2.199 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.222 2.707 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.563 3.664 1.195 1.00 0.00 H new ATOM 327 N THR A 21 -13.027 2.858 1.703 1.00 0.00 N ATOM 328 CA THR A 21 -12.462 4.137 2.114 1.00 0.00 C ATOM 329 C THR A 21 -12.402 4.237 3.633 1.00 0.00 C ATOM 330 O THR A 21 -13.431 4.201 4.308 1.00 0.00 O ATOM 331 CB THR A 21 -13.273 5.304 1.546 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.662 5.070 1.688 1.00 0.00 O ATOM 333 CG2 THR A 21 -12.993 5.568 0.085 1.00 0.00 C ATOM 0 H THR A 21 -13.734 2.487 2.338 1.00 0.00 H new ATOM 0 HA THR A 21 -11.448 4.194 1.717 1.00 0.00 H new ATOM 0 HB THR A 21 -12.965 6.177 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.844 4.712 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.600 6.407 -0.256 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.937 5.806 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.240 4.681 -0.499 1.00 0.00 H new ATOM 341 N ARG A 22 -11.192 4.356 4.161 1.00 0.00 N ATOM 342 CA ARG A 22 -10.992 4.464 5.601 1.00 0.00 C ATOM 343 C ARG A 22 -11.017 5.921 6.042 1.00 0.00 C ATOM 344 O ARG A 22 -11.235 6.820 5.231 1.00 0.00 O ATOM 345 CB ARG A 22 -9.665 3.819 6.003 1.00 0.00 C ATOM 346 CG ARG A 22 -9.717 3.104 7.343 1.00 0.00 C ATOM 347 CD ARG A 22 -10.256 1.690 7.200 1.00 0.00 C ATOM 348 NE ARG A 22 -9.681 0.782 8.187 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.127 0.668 9.435 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.150 1.404 9.847 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.550 -0.182 10.272 1.00 0.00 N ATOM 0 H ARG A 22 -10.332 4.380 3.613 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.807 3.938 6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.368 3.108 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.894 4.588 6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.718 3.071 7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.347 3.666 8.032 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.341 1.703 7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.040 1.320 6.198 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.892 0.201 7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.597 2.060 9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.490 1.314 10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.763 -0.750 9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.893 -0.268 11.229 1.00 0.00 H new ATOM 365 N LYS A 23 -10.791 6.149 7.330 1.00 0.00 N ATOM 366 CA LYS A 23 -10.791 7.498 7.876 1.00 0.00 C ATOM 367 C LYS A 23 -9.856 7.600 9.075 1.00 0.00 C ATOM 368 O LYS A 23 -9.829 6.718 9.932 1.00 0.00 O ATOM 369 CB LYS A 23 -12.209 7.902 8.286 1.00 0.00 C ATOM 370 CG LYS A 23 -12.377 9.396 8.506 1.00 0.00 C ATOM 371 CD LYS A 23 -13.364 9.996 7.519 1.00 0.00 C ATOM 372 CE LYS A 23 -14.324 10.953 8.205 1.00 0.00 C ATOM 373 NZ LYS A 23 -15.620 10.299 8.534 1.00 0.00 N ATOM 0 H LYS A 23 -10.605 5.416 8.015 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.434 8.177 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.908 7.576 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.477 7.376 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.722 9.579 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.411 9.891 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.821 10.523 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.927 9.198 7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.867 11.333 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.505 11.812 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.247 10.985 9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.069 9.959 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.451 9.495 9.172 1.00 0.00 H new ATOM 387 N CYS A 24 -9.095 8.687 9.128 1.00 0.00 N ATOM 388 CA CYS A 24 -8.164 8.916 10.222 1.00 0.00 C ATOM 389 C CYS A 24 -8.782 9.836 11.268 1.00 0.00 C ATOM 390 O CYS A 24 -9.185 10.959 10.961 1.00 0.00 O ATOM 391 CB CYS A 24 -6.861 9.519 9.693 1.00 0.00 C ATOM 392 SG CYS A 24 -5.426 9.223 10.750 1.00 0.00 S ATOM 0 H CYS A 24 -9.106 9.424 8.423 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.943 7.957 10.691 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.660 9.110 8.703 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.994 10.594 9.572 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.374 9.769 10.216 1.00 0.00 H new ATOM 398 N VAL A 25 -8.867 9.347 12.498 1.00 0.00 N ATOM 399 CA VAL A 25 -9.454 10.115 13.590 1.00 0.00 C ATOM 400 C VAL A 25 -8.581 11.313 13.944 1.00 0.00 C ATOM 401 O VAL A 25 -9.055 12.289 14.526 1.00 0.00 O ATOM 402 CB VAL A 25 -9.654 9.244 14.844 1.00 0.00 C ATOM 403 CG1 VAL A 25 -10.719 9.842 15.749 1.00 0.00 C ATOM 404 CG2 VAL A 25 -10.015 7.819 14.450 1.00 0.00 C ATOM 0 H VAL A 25 -8.536 8.420 12.766 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.427 10.467 13.247 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.716 9.218 15.399 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.845 9.211 16.629 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.414 10.841 16.059 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.664 9.903 15.208 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.153 7.217 15.348 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.939 7.824 13.872 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.212 7.394 13.848 1.00 0.00 H new ATOM 414 N CYS A 26 -7.306 11.235 13.577 1.00 0.00 N ATOM 415 CA CYS A 26 -6.369 12.320 13.839 1.00 0.00 C ATOM 416 C CYS A 26 -6.699 13.538 12.982 1.00 0.00 C ATOM 417 O CYS A 26 -6.307 14.661 13.303 1.00 0.00 O ATOM 418 CB CYS A 26 -4.935 11.860 13.564 1.00 0.00 C ATOM 419 SG CYS A 26 -3.669 12.861 14.376 1.00 0.00 S ATOM 0 H CYS A 26 -6.899 10.432 13.098 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.457 12.601 14.888 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.828 10.825 13.889 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.760 11.875 12.488 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.492 12.392 14.084 1.00 0.00 H new ATOM 425 N GLY A 27 -7.426 13.307 11.893 1.00 0.00 N ATOM 426 CA GLY A 27 -7.805 14.393 11.006 1.00 0.00 C ATOM 427 C GLY A 27 -7.365 14.157 9.575 1.00 0.00 C ATOM 428 O GLY A 27 -6.562 14.917 9.035 1.00 0.00 O ATOM 0 H GLY A 27 -7.760 12.386 11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.887 14.519 11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.367 15.323 11.368 1.00 0.00 H new ATOM 432 N ARG A 28 -7.911 13.112 8.955 1.00 0.00 N ATOM 433 CA ARG A 28 -7.573 12.766 7.578 1.00 0.00 C ATOM 434 C ARG A 28 -8.464 11.638 7.067 1.00 0.00 C ATOM 435 O ARG A 28 -9.376 11.190 7.761 1.00 0.00 O ATOM 436 CB ARG A 28 -6.107 12.343 7.481 1.00 0.00 C ATOM 437 CG ARG A 28 -5.201 13.421 6.914 1.00 0.00 C ATOM 438 CD ARG A 28 -3.803 13.345 7.506 1.00 0.00 C ATOM 439 NE ARG A 28 -3.716 14.024 8.796 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.862 15.009 9.057 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.021 15.428 8.120 1.00 0.00 N ATOM 442 NH2 ARG A 28 -2.846 15.575 10.256 1.00 0.00 N ATOM 0 H ARG A 28 -8.592 12.489 9.388 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.735 13.649 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.751 12.065 8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.035 11.453 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.144 13.317 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.630 14.402 7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.517 12.300 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.091 13.792 6.812 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.347 13.725 9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.029 14.994 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.367 16.184 8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.489 15.255 10.980 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.190 16.331 10.455 1.00 0.00 H new ATOM 456 N THR A 29 -8.195 11.188 5.844 1.00 0.00 N ATOM 457 CA THR A 29 -8.960 10.104 5.237 1.00 0.00 C ATOM 458 C THR A 29 -8.053 9.199 4.410 1.00 0.00 C ATOM 459 O THR A 29 -7.253 9.677 3.604 1.00 0.00 O ATOM 460 CB THR A 29 -10.076 10.671 4.357 1.00 0.00 C ATOM 461 OG1 THR A 29 -10.969 11.458 5.126 1.00 0.00 O ATOM 462 CG2 THR A 29 -10.890 9.603 3.657 1.00 0.00 C ATOM 0 H THR A 29 -7.451 11.559 5.253 1.00 0.00 H new ATOM 0 HA THR A 29 -9.404 9.511 6.037 1.00 0.00 H new ATOM 0 HB THR A 29 -9.570 11.271 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.675 11.813 4.546 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.663 10.074 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.238 9.010 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.356 8.955 4.400 1.00 0.00 H new ATOM 470 N VAL A 30 -8.180 7.892 4.615 1.00 0.00 N ATOM 471 CA VAL A 30 -7.367 6.923 3.890 1.00 0.00 C ATOM 472 C VAL A 30 -8.132 6.338 2.708 1.00 0.00 C ATOM 473 O VAL A 30 -9.100 5.600 2.883 1.00 0.00 O ATOM 474 CB VAL A 30 -6.901 5.784 4.814 1.00 0.00 C ATOM 475 CG1 VAL A 30 -5.958 4.847 4.077 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.234 6.352 6.054 1.00 0.00 C ATOM 0 H VAL A 30 -8.838 7.480 5.277 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.491 7.454 3.517 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.774 5.210 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.640 4.049 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.472 4.416 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.085 5.404 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.909 5.535 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.370 6.949 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.943 6.980 6.593 1.00 0.00 H new ATOM 486 N ASN A 31 -7.699 6.692 1.503 1.00 0.00 N ATOM 487 CA ASN A 31 -8.348 6.224 0.282 1.00 0.00 C ATOM 488 C ASN A 31 -7.704 4.946 -0.251 1.00 0.00 C ATOM 489 O ASN A 31 -6.555 4.954 -0.693 1.00 0.00 O ATOM 490 CB ASN A 31 -8.294 7.314 -0.790 1.00 0.00 C ATOM 491 CG ASN A 31 -8.780 6.825 -2.140 1.00 0.00 C ATOM 492 OD1 ASN A 31 -9.952 6.485 -2.306 1.00 0.00 O ATOM 493 ND2 ASN A 31 -7.879 6.787 -3.116 1.00 0.00 N ATOM 0 H ASN A 31 -6.898 7.304 1.345 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.386 5.998 0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.903 8.161 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.270 7.675 -0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.148 6.467 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.918 7.078 -2.935 1.00 0.00 H new ATOM 500 N VAL A 32 -8.457 3.853 -0.236 1.00 0.00 N ATOM 501 CA VAL A 32 -7.971 2.587 -0.767 1.00 0.00 C ATOM 502 C VAL A 32 -7.662 2.729 -2.262 1.00 0.00 C ATOM 503 O VAL A 32 -7.990 3.748 -2.870 1.00 0.00 O ATOM 504 CB VAL A 32 -9.008 1.474 -0.538 1.00 0.00 C ATOM 505 CG1 VAL A 32 -8.462 0.113 -0.915 1.00 0.00 C ATOM 506 CG2 VAL A 32 -9.478 1.477 0.909 1.00 0.00 C ATOM 0 H VAL A 32 -9.405 3.818 0.138 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.055 2.316 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.860 1.677 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.224 -0.646 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.185 0.111 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.583 -0.107 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.211 0.684 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.626 1.310 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.933 2.440 1.142 1.00 0.00 H new ATOM 516 N LYS A 33 -7.028 1.712 -2.849 1.00 0.00 N ATOM 517 CA LYS A 33 -6.660 1.742 -4.264 1.00 0.00 C ATOM 518 C LYS A 33 -7.870 2.023 -5.157 1.00 0.00 C ATOM 519 O LYS A 33 -8.970 2.293 -4.673 1.00 0.00 O ATOM 520 CB LYS A 33 -6.023 0.411 -4.666 1.00 0.00 C ATOM 521 CG LYS A 33 -4.730 0.568 -5.449 1.00 0.00 C ATOM 522 CD LYS A 33 -4.494 -0.614 -6.376 1.00 0.00 C ATOM 523 CE LYS A 33 -3.768 -0.193 -7.644 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.569 -1.037 -7.905 1.00 0.00 N ATOM 0 H LYS A 33 -6.759 0.856 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.943 2.551 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.825 -0.174 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.735 -0.157 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.766 1.488 -6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.893 0.662 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.910 -1.374 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.449 -1.069 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.450 -0.260 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.466 0.851 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.103 -0.717 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.906 -0.954 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.860 -2.030 -8.011 1.00 0.00 H new ATOM 538 N ASP A 34 -7.662 1.934 -6.467 1.00 0.00 N ATOM 539 CA ASP A 34 -8.723 2.203 -7.430 1.00 0.00 C ATOM 540 C ASP A 34 -9.509 0.936 -7.749 1.00 0.00 C ATOM 541 O ASP A 34 -10.719 0.988 -7.974 1.00 0.00 O ATOM 542 CB ASP A 34 -8.131 2.784 -8.716 1.00 0.00 C ATOM 543 CG ASP A 34 -8.807 4.075 -9.133 1.00 0.00 C ATOM 544 OD1 ASP A 34 -9.906 4.006 -9.723 1.00 0.00 O ATOM 545 OD2 ASP A 34 -8.238 5.155 -8.870 1.00 0.00 O ATOM 0 H ASP A 34 -6.768 1.678 -6.886 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.406 2.928 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.066 2.965 -8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.225 2.052 -9.519 1.00 0.00 H new ATOM 550 N ARG A 35 -8.819 -0.199 -7.760 1.00 0.00 N ATOM 551 CA ARG A 35 -9.464 -1.477 -8.035 1.00 0.00 C ATOM 552 C ARG A 35 -10.098 -2.038 -6.762 1.00 0.00 C ATOM 553 O ARG A 35 -10.815 -1.327 -6.056 1.00 0.00 O ATOM 554 CB ARG A 35 -8.449 -2.466 -8.617 1.00 0.00 C ATOM 555 CG ARG A 35 -9.076 -3.518 -9.519 1.00 0.00 C ATOM 556 CD ARG A 35 -8.392 -3.570 -10.876 1.00 0.00 C ATOM 557 NE ARG A 35 -8.659 -2.375 -11.671 1.00 0.00 N ATOM 558 CZ ARG A 35 -7.775 -1.829 -12.502 1.00 0.00 C ATOM 559 NH1 ARG A 35 -6.573 -2.370 -12.645 1.00 0.00 N ATOM 560 NH2 ARG A 35 -8.095 -0.743 -13.192 1.00 0.00 N ATOM 0 H ARG A 35 -7.816 -0.260 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.254 -1.322 -8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.699 -1.914 -9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.928 -2.964 -7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.010 -4.495 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.135 -3.299 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.317 -3.679 -10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.733 -4.451 -11.420 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.575 -1.934 -11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.324 -3.207 -12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.897 -1.950 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.020 -0.325 -13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.417 -0.325 -13.829 1.00 0.00 H new ATOM 574 N ARG A 36 -9.836 -3.309 -6.469 1.00 0.00 N ATOM 575 CA ARG A 36 -10.380 -3.942 -5.274 1.00 0.00 C ATOM 576 C ARG A 36 -9.662 -3.442 -4.025 1.00 0.00 C ATOM 577 O ARG A 36 -10.171 -2.581 -3.307 1.00 0.00 O ATOM 578 CB ARG A 36 -10.259 -5.463 -5.376 1.00 0.00 C ATOM 579 CG ARG A 36 -10.603 -6.010 -6.753 1.00 0.00 C ATOM 580 CD ARG A 36 -12.098 -5.934 -7.033 1.00 0.00 C ATOM 581 NE ARG A 36 -12.892 -5.979 -5.807 1.00 0.00 N ATOM 582 CZ ARG A 36 -13.784 -5.051 -5.471 1.00 0.00 C ATOM 583 NH1 ARG A 36 -13.997 -4.012 -6.266 1.00 0.00 N ATOM 584 NH2 ARG A 36 -14.464 -5.164 -4.339 1.00 0.00 N ATOM 0 H ARG A 36 -9.252 -3.918 -7.042 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.434 -3.676 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.240 -5.756 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.916 -5.922 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.061 -5.447 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.271 -7.046 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.318 -5.013 -7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.387 -6.761 -7.682 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.755 -6.766 -5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.476 -3.922 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.682 -3.302 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.303 -5.963 -3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.148 -4.452 -4.082 1.00 0.00 H new ATOM 598 N ILE A 37 -8.476 -3.985 -3.776 1.00 0.00 N ATOM 599 CA ILE A 37 -7.680 -3.596 -2.619 1.00 0.00 C ATOM 600 C ILE A 37 -6.196 -3.842 -2.872 1.00 0.00 C ATOM 601 O ILE A 37 -5.824 -4.742 -3.626 1.00 0.00 O ATOM 602 CB ILE A 37 -8.134 -4.357 -1.349 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.861 -3.396 -0.400 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.957 -5.034 -0.648 1.00 0.00 C ATOM 605 CD1 ILE A 37 -7.948 -2.673 0.569 1.00 0.00 C ATOM 0 H ILE A 37 -8.043 -4.699 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.835 -2.529 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.823 -5.146 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.402 -2.658 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.604 -3.956 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.314 -5.558 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.490 -5.747 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.226 -4.281 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.540 -2.014 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.426 -3.401 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.220 -2.083 0.012 1.00 0.00 H new ATOM 617 N PHE A 38 -5.353 -3.048 -2.222 1.00 0.00 N ATOM 618 CA PHE A 38 -3.913 -3.205 -2.345 1.00 0.00 C ATOM 619 C PHE A 38 -3.389 -4.116 -1.242 1.00 0.00 C ATOM 620 O PHE A 38 -3.972 -4.189 -0.164 1.00 0.00 O ATOM 621 CB PHE A 38 -3.215 -1.842 -2.274 1.00 0.00 C ATOM 622 CG PHE A 38 -2.086 -1.672 -3.257 1.00 0.00 C ATOM 623 CD1 PHE A 38 -1.417 -2.772 -3.777 1.00 0.00 C ATOM 624 CD2 PHE A 38 -1.688 -0.405 -3.655 1.00 0.00 C ATOM 625 CE1 PHE A 38 -0.381 -2.611 -4.677 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.652 -0.239 -4.556 1.00 0.00 C ATOM 627 CZ PHE A 38 0.002 -1.343 -5.066 1.00 0.00 C ATOM 0 H PHE A 38 -5.644 -2.290 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.696 -3.657 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.953 -1.059 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.828 -1.697 -1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.710 -3.766 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.193 0.463 -3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.128 -3.476 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.355 0.754 -4.861 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.812 -1.215 -5.768 1.00 0.00 H new ATOM 637 N GLY A 39 -2.304 -4.825 -1.529 1.00 0.00 N ATOM 638 CA GLY A 39 -1.712 -5.722 -0.554 1.00 0.00 C ATOM 639 C GLY A 39 -2.734 -6.602 0.142 1.00 0.00 C ATOM 640 O GLY A 39 -3.294 -6.221 1.168 1.00 0.00 O ATOM 0 H GLY A 39 -1.820 -4.794 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.975 -6.354 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.177 -5.135 0.193 1.00 0.00 H new ATOM 644 N ARG A 40 -2.965 -7.790 -0.404 1.00 0.00 N ATOM 645 CA ARG A 40 -3.906 -8.726 0.195 1.00 0.00 C ATOM 646 C ARG A 40 -3.186 -9.619 1.195 1.00 0.00 C ATOM 647 O ARG A 40 -2.684 -10.688 0.845 1.00 0.00 O ATOM 648 CB ARG A 40 -4.579 -9.575 -0.883 1.00 0.00 C ATOM 649 CG ARG A 40 -6.058 -9.819 -0.633 1.00 0.00 C ATOM 650 CD ARG A 40 -6.836 -8.515 -0.552 1.00 0.00 C ATOM 651 NE ARG A 40 -8.279 -8.736 -0.553 1.00 0.00 N ATOM 652 CZ ARG A 40 -9.092 -8.294 -1.509 1.00 0.00 C ATOM 653 NH1 ARG A 40 -8.605 -7.609 -2.535 1.00 0.00 N ATOM 654 NH2 ARG A 40 -10.394 -8.538 -1.439 1.00 0.00 N ATOM 0 H ARG A 40 -2.516 -8.126 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.677 -8.159 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.459 -9.083 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.067 -10.535 -0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.465 -10.437 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.183 -10.376 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.552 -7.980 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.566 -7.879 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.687 -9.258 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.604 -7.420 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.231 -7.272 -3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.773 -9.065 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.017 -8.199 -2.172 1.00 0.00 H new ATOM 668 N ALA A 41 -3.101 -9.147 2.432 1.00 0.00 N ATOM 669 CA ALA A 41 -2.403 -9.873 3.482 1.00 0.00 C ATOM 670 C ALA A 41 -3.357 -10.724 4.304 1.00 0.00 C ATOM 671 O ALA A 41 -4.122 -10.204 5.112 1.00 0.00 O ATOM 672 CB ALA A 41 -1.663 -8.900 4.385 1.00 0.00 C ATOM 0 H ALA A 41 -3.509 -8.262 2.732 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.687 -10.542 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.144 -9.453 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.938 -8.337 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.375 -8.211 4.839 1.00 0.00 H new ATOM 678 N ASP A 42 -3.277 -12.037 4.127 1.00 0.00 N ATOM 679 CA ASP A 42 -4.115 -12.956 4.882 1.00 0.00 C ATOM 680 C ASP A 42 -3.528 -13.179 6.270 1.00 0.00 C ATOM 681 O ASP A 42 -4.255 -13.420 7.234 1.00 0.00 O ATOM 682 CB ASP A 42 -4.246 -14.292 4.145 1.00 0.00 C ATOM 683 CG ASP A 42 -3.319 -14.391 2.949 1.00 0.00 C ATOM 684 OD1 ASP A 42 -2.134 -14.732 3.142 1.00 0.00 O ATOM 685 OD2 ASP A 42 -3.780 -14.126 1.819 1.00 0.00 O ATOM 0 H ASP A 42 -2.641 -12.487 3.468 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.108 -12.517 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.030 -15.107 4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.276 -14.420 3.813 1.00 0.00 H new ATOM 690 N ASP A 43 -2.203 -13.105 6.358 1.00 0.00 N ATOM 691 CA ASP A 43 -1.509 -13.266 7.629 1.00 0.00 C ATOM 692 C ASP A 43 -1.410 -11.931 8.358 1.00 0.00 C ATOM 693 O ASP A 43 -0.978 -10.932 7.782 1.00 0.00 O ATOM 694 CB ASP A 43 -0.110 -13.844 7.402 1.00 0.00 C ATOM 695 CG ASP A 43 -0.089 -15.358 7.490 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.502 -15.898 8.538 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.340 -16.004 6.510 1.00 0.00 O ATOM 0 H ASP A 43 -1.589 -12.934 5.562 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.081 -13.959 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.253 -13.535 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.576 -13.430 8.141 1.00 0.00 H new ATOM 702 N PHE A 44 -1.818 -11.917 9.624 1.00 0.00 N ATOM 703 CA PHE A 44 -1.772 -10.699 10.426 1.00 0.00 C ATOM 704 C PHE A 44 -0.365 -10.108 10.438 1.00 0.00 C ATOM 705 O PHE A 44 -0.193 -8.890 10.399 1.00 0.00 O ATOM 706 CB PHE A 44 -2.237 -10.983 11.857 1.00 0.00 C ATOM 707 CG PHE A 44 -1.530 -12.139 12.507 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.015 -13.430 12.371 1.00 0.00 C ATOM 709 CD2 PHE A 44 -0.387 -11.933 13.263 1.00 0.00 C ATOM 710 CE1 PHE A 44 -1.369 -14.494 12.970 1.00 0.00 C ATOM 711 CE2 PHE A 44 0.264 -12.994 13.864 1.00 0.00 C ATOM 712 CZ PHE A 44 -0.228 -14.276 13.717 1.00 0.00 C ATOM 0 H PHE A 44 -2.183 -12.733 10.115 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.446 -9.971 9.975 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.085 -10.089 12.462 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.308 -11.183 11.848 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.908 -13.606 11.790 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.000 -10.932 13.384 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.756 -15.496 12.854 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.156 -12.821 14.448 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.279 -15.107 14.185 1.00 0.00 H new ATOM 722 N GLU A 45 0.638 -10.980 10.486 1.00 0.00 N ATOM 723 CA GLU A 45 2.027 -10.553 10.494 1.00 0.00 C ATOM 724 C GLU A 45 2.416 -9.930 9.157 1.00 0.00 C ATOM 725 O GLU A 45 3.102 -8.907 9.111 1.00 0.00 O ATOM 726 CB GLU A 45 2.933 -11.747 10.795 1.00 0.00 C ATOM 727 CG GLU A 45 2.537 -13.015 10.058 1.00 0.00 C ATOM 728 CD GLU A 45 3.583 -14.109 10.167 1.00 0.00 C ATOM 729 OE1 GLU A 45 4.644 -13.858 10.779 1.00 0.00 O ATOM 730 OE2 GLU A 45 3.341 -15.216 9.642 1.00 0.00 O ATOM 0 H GLU A 45 0.510 -11.991 10.520 1.00 0.00 H new ATOM 0 HA GLU A 45 2.150 -9.798 11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.959 -11.489 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.919 -11.941 11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.591 -13.382 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.370 -12.782 9.006 1.00 0.00 H new ATOM 737 N GLU A 46 1.969 -10.552 8.069 1.00 0.00 N ATOM 738 CA GLU A 46 2.274 -10.067 6.730 1.00 0.00 C ATOM 739 C GLU A 46 1.585 -8.734 6.463 1.00 0.00 C ATOM 740 O GLU A 46 2.010 -7.966 5.601 1.00 0.00 O ATOM 741 CB GLU A 46 1.843 -11.095 5.682 1.00 0.00 C ATOM 742 CG GLU A 46 2.768 -12.297 5.595 1.00 0.00 C ATOM 743 CD GLU A 46 2.856 -12.865 4.193 1.00 0.00 C ATOM 744 OE1 GLU A 46 3.637 -12.325 3.381 1.00 0.00 O ATOM 745 OE2 GLU A 46 2.143 -13.850 3.905 1.00 0.00 O ATOM 0 H GLU A 46 1.394 -11.394 8.091 1.00 0.00 H new ATOM 0 HA GLU A 46 3.352 -9.918 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.835 -11.438 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.797 -10.610 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.765 -12.009 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.415 -13.072 6.275 1.00 0.00 H new ATOM 752 N ALA A 47 0.514 -8.470 7.204 1.00 0.00 N ATOM 753 CA ALA A 47 -0.232 -7.225 7.057 1.00 0.00 C ATOM 754 C ALA A 47 0.661 -6.018 7.320 1.00 0.00 C ATOM 755 O ALA A 47 0.759 -5.112 6.491 1.00 0.00 O ATOM 756 CB ALA A 47 -1.431 -7.215 7.994 1.00 0.00 C ATOM 0 H ALA A 47 0.143 -9.102 7.913 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.590 -7.161 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.979 -6.280 7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.086 -8.053 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.088 -7.305 9.025 1.00 0.00 H new ATOM 762 N SER A 48 1.306 -6.009 8.483 1.00 0.00 N ATOM 763 CA SER A 48 2.187 -4.911 8.868 1.00 0.00 C ATOM 764 C SER A 48 3.335 -4.745 7.875 1.00 0.00 C ATOM 765 O SER A 48 3.725 -3.624 7.547 1.00 0.00 O ATOM 766 CB SER A 48 2.745 -5.150 10.272 1.00 0.00 C ATOM 767 OG SER A 48 3.102 -3.928 10.894 1.00 0.00 O ATOM 0 H SER A 48 1.235 -6.753 9.177 1.00 0.00 H new ATOM 0 HA SER A 48 1.599 -3.993 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.002 -5.667 10.879 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.618 -5.801 10.214 1.00 0.00 H new ATOM 0 HG SER A 48 3.454 -4.108 11.791 1.00 0.00 H new ATOM 773 N GLU A 49 3.877 -5.865 7.407 1.00 0.00 N ATOM 774 CA GLU A 49 4.995 -5.838 6.468 1.00 0.00 C ATOM 775 C GLU A 49 4.558 -5.309 5.105 1.00 0.00 C ATOM 776 O GLU A 49 5.320 -4.625 4.422 1.00 0.00 O ATOM 777 CB GLU A 49 5.593 -7.238 6.314 1.00 0.00 C ATOM 778 CG GLU A 49 7.077 -7.306 6.642 1.00 0.00 C ATOM 779 CD GLU A 49 7.949 -6.852 5.488 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.967 -5.638 5.199 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.616 -7.713 4.875 1.00 0.00 O ATOM 0 H GLU A 49 3.562 -6.801 7.661 1.00 0.00 H new ATOM 0 HA GLU A 49 5.753 -5.166 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.054 -7.928 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.440 -7.579 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.282 -6.685 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.340 -8.329 6.911 1.00 0.00 H new ATOM 788 N LEU A 50 3.332 -5.636 4.713 1.00 0.00 N ATOM 789 CA LEU A 50 2.797 -5.200 3.429 1.00 0.00 C ATOM 790 C LEU A 50 2.570 -3.692 3.416 1.00 0.00 C ATOM 791 O LEU A 50 2.883 -3.015 2.436 1.00 0.00 O ATOM 792 CB LEU A 50 1.488 -5.932 3.128 1.00 0.00 C ATOM 793 CG LEU A 50 1.584 -7.008 2.044 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.493 -8.141 2.496 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.204 -7.536 1.692 1.00 0.00 C ATOM 0 H LEU A 50 2.689 -6.202 5.267 1.00 0.00 H new ATOM 0 HA LEU A 50 3.527 -5.442 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.128 -6.394 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.740 -5.199 2.826 1.00 0.00 H new ATOM 0 HG LEU A 50 2.016 -6.558 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.549 -8.897 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.491 -7.750 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.091 -8.589 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.293 -8.300 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.257 -7.969 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.415 -6.718 1.324 1.00 0.00 H new ATOM 807 N VAL A 51 2.051 -3.169 4.522 1.00 0.00 N ATOM 808 CA VAL A 51 1.786 -1.741 4.647 1.00 0.00 C ATOM 809 C VAL A 51 3.078 -0.934 4.591 1.00 0.00 C ATOM 810 O VAL A 51 3.145 0.101 3.926 1.00 0.00 O ATOM 811 CB VAL A 51 1.058 -1.427 5.967 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.820 0.067 6.105 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.253 -2.194 6.053 1.00 0.00 C ATOM 0 H VAL A 51 1.805 -3.715 5.347 1.00 0.00 H new ATOM 0 HA VAL A 51 1.150 -1.460 3.808 1.00 0.00 H new ATOM 0 HB VAL A 51 1.693 -1.747 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.305 0.268 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.776 0.590 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.208 0.416 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.752 -1.958 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.896 -1.910 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.052 -3.264 6.008 1.00 0.00 H new ATOM 823 N ARG A 52 4.103 -1.408 5.294 1.00 0.00 N ATOM 824 CA ARG A 52 5.391 -0.724 5.317 1.00 0.00 C ATOM 825 C ARG A 52 5.996 -0.684 3.920 1.00 0.00 C ATOM 826 O ARG A 52 6.570 0.324 3.511 1.00 0.00 O ATOM 827 CB ARG A 52 6.350 -1.420 6.285 1.00 0.00 C ATOM 828 CG ARG A 52 7.445 -0.510 6.816 1.00 0.00 C ATOM 829 CD ARG A 52 8.797 -0.853 6.210 1.00 0.00 C ATOM 830 NE ARG A 52 9.905 -0.368 7.030 1.00 0.00 N ATOM 831 CZ ARG A 52 10.712 0.624 6.666 1.00 0.00 C ATOM 832 NH1 ARG A 52 10.534 1.236 5.503 1.00 0.00 N ATOM 833 NH2 ARG A 52 11.697 1.007 7.467 1.00 0.00 N ATOM 0 H ARG A 52 4.067 -2.260 5.853 1.00 0.00 H new ATOM 0 HA ARG A 52 5.230 0.298 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.780 -1.817 7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.809 -2.270 5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.198 0.528 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.499 -0.598 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.878 -1.934 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.867 -0.419 5.213 1.00 0.00 H new ATOM 0 HE ARG A 52 10.068 -0.815 7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.776 0.946 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.155 1.997 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.836 0.540 8.363 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.316 1.768 7.187 1.00 0.00 H new ATOM 847 N LYS A 53 5.850 -1.782 3.187 1.00 0.00 N ATOM 848 CA LYS A 53 6.335 -1.841 1.817 1.00 0.00 C ATOM 849 C LYS A 53 5.513 -0.903 0.943 1.00 0.00 C ATOM 850 O LYS A 53 6.025 -0.301 0.000 1.00 0.00 O ATOM 851 CB LYS A 53 6.254 -3.272 1.280 1.00 0.00 C ATOM 852 CG LYS A 53 7.548 -3.758 0.646 1.00 0.00 C ATOM 853 CD LYS A 53 7.935 -5.138 1.154 1.00 0.00 C ATOM 854 CE LYS A 53 8.932 -5.814 0.228 1.00 0.00 C ATOM 855 NZ LYS A 53 8.670 -7.274 0.100 1.00 0.00 N ATOM 0 H LYS A 53 5.403 -2.637 3.517 1.00 0.00 H new ATOM 0 HA LYS A 53 7.379 -1.527 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.985 -3.943 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.454 -3.330 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.435 -3.787 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.349 -3.051 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.365 -5.052 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.042 -5.757 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.885 -5.349 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.942 -5.658 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.372 -7.698 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.739 -7.722 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.716 -7.423 -0.285 1.00 0.00 H new ATOM 869 N LEU A 54 4.231 -0.782 1.278 1.00 0.00 N ATOM 870 CA LEU A 54 3.326 0.106 0.560 1.00 0.00 C ATOM 871 C LEU A 54 3.707 1.565 0.791 1.00 0.00 C ATOM 872 O LEU A 54 3.315 2.448 0.027 1.00 0.00 O ATOM 873 CB LEU A 54 1.882 -0.135 1.011 1.00 0.00 C ATOM 874 CG LEU A 54 0.927 -0.630 -0.079 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.749 0.430 -1.156 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.431 -1.932 -0.685 1.00 0.00 C ATOM 0 H LEU A 54 3.795 -1.292 2.047 1.00 0.00 H new ATOM 0 HA LEU A 54 3.407 -0.109 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.889 -0.863 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.487 0.795 1.421 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.044 -0.821 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.067 0.060 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.337 1.336 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.715 0.655 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.738 -2.266 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.415 -1.771 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.501 -2.692 0.093 1.00 0.00 H new ATOM 888 N GLN A 55 4.467 1.809 1.856 1.00 0.00 N ATOM 889 CA GLN A 55 4.899 3.160 2.199 1.00 0.00 C ATOM 890 C GLN A 55 5.876 3.701 1.160 1.00 0.00 C ATOM 891 O GLN A 55 5.932 3.216 0.031 1.00 0.00 O ATOM 892 CB GLN A 55 5.547 3.174 3.585 1.00 0.00 C ATOM 893 CG GLN A 55 4.600 3.597 4.696 1.00 0.00 C ATOM 894 CD GLN A 55 5.304 3.782 6.025 1.00 0.00 C ATOM 895 OE1 GLN A 55 5.966 2.872 6.522 1.00 0.00 O ATOM 896 NE2 GLN A 55 5.163 4.967 6.610 1.00 0.00 N ATOM 0 H GLN A 55 4.796 1.087 2.497 1.00 0.00 H new ATOM 0 HA GLN A 55 4.019 3.804 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.932 2.179 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.402 3.850 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.111 4.530 4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.817 2.847 4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.605 5.694 6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.613 5.150 7.507 1.00 0.00 H new