USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 422 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 95:sc= 0.584 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -162:sc= 0.584 USER MOD Single : A 16 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 23 ASN : amide:sc= -0.066 K(o=-0.066,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.23) USER MOD Single : A 46 SER OG : rot -74:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -99:sc= 1.47 USER MOD Single : A 53 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.077) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.126 -4.868 -13.627 1.00 1.00 N ATOM 2 CA ALA A 1 -0.989 -4.342 -12.244 1.00 1.00 C ATOM 3 C ALA A 1 -2.100 -3.343 -11.927 1.00 1.00 C ATOM 4 O ALA A 1 -2.101 -2.228 -12.449 1.00 1.00 O ATOM 5 CB ALA A 1 0.370 -3.684 -12.064 1.00 1.00 C ATOM 0 H1 ALA A 1 -0.360 -5.545 -13.819 1.00 1.00 H new ATOM 0 H2 ALA A 1 -2.044 -5.347 -13.727 1.00 1.00 H new ATOM 0 H3 ALA A 1 -1.070 -4.081 -14.305 1.00 1.00 H new ATOM 0 HA ALA A 1 -1.074 -5.180 -11.552 1.00 1.00 H new ATOM 0 HB1 ALA A 1 0.458 -3.303 -11.047 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.156 -4.417 -12.246 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.472 -2.860 -12.770 1.00 1.00 H new ATOM 11 N PRO A 2 -3.037 -3.677 -11.064 1.00 1.00 N ATOM 12 CA PRO A 2 -4.174 -2.853 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.618 1.00 1.00 C ATOM 14 O PRO A 2 -2.533 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.084 -3.891 -9.938 1.00 1.00 C ATOM 16 CG PRO A 2 -4.147 -4.827 -9.304 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.899 -10.244 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.301 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.741 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.723 -4.396 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.846 -4.475 -8.317 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.602 -5.808 -9.167 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.945 -9.691 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.793 -10.866 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.903 -9.280 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.039 -8.189 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.231 -7.086 1.00 1.00 C ATOM 28 O TRP A 3 -6.381 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.449 1.484 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.745 1.904 -9.342 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.035 1.853 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.881 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.285 2.359 -10.897 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.771 -9.719 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.186 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.071 3.341 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.413 3.416 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.332 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.466 -0.786 -9.763 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.380 -0.103 -7.776 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.267 2.144 -7.834 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.636 1.644 -9.391 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.375 1.470 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.418 -11.807 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.478 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.793 3.523 -10.224 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.665 3.688 -6.131 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.283 4.100 -7.910 1.00 1.00 H new ATOM 49 N ALA A 4 -5.147 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.972 0.141 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.932 1.00 1.00 C ATOM 52 O ALA A 4 -5.292 2.341 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.359 -0.971 -3.902 1.00 1.00 C ATOM 0 H ALA A 4 -4.355 0.968 -5.772 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.973 -0.137 -5.090 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.976 -1.131 -3.018 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.311 -1.893 -4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.354 -0.682 -3.596 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.308 2.525 -2.133 1.00 1.00 C ATOM 61 C THR A 5 -7.176 2.008 -0.706 1.00 1.00 C ATOM 62 O THR A 5 -7.747 0.977 -0.355 1.00 1.00 O ATOM 63 CB THR A 5 -8.723 3.097 -2.335 1.00 1.00 C ATOM 64 OG1 THR A 5 -8.829 3.593 -3.676 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.973 4.264 -1.410 1.00 1.00 C ATOM 0 H THR A 5 -7.717 0.642 -2.931 1.00 1.00 H new ATOM 0 HA THR A 5 -6.587 3.319 -2.329 1.00 1.00 H new ATOM 0 HB THR A 5 -9.444 2.305 -2.132 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.218 2.901 -4.251 1.00 1.00 H new ATOM 0 HG21 THR A 5 -9.980 4.649 -1.574 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.874 3.936 -0.375 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.246 5.051 -1.612 1.00 1.00 H new ATOM 73 N ALA A 6 -6.376 2.689 0.100 1.00 1.00 N ATOM 74 CA ALA A 6 -6.174 2.269 1.474 1.00 1.00 C ATOM 75 C ALA A 6 -7.421 2.530 2.296 1.00 1.00 C ATOM 76 O ALA A 6 -8.091 3.558 2.162 1.00 1.00 O ATOM 77 CB ALA A 6 -5.005 3.038 2.071 1.00 1.00 C ATOM 0 H ALA A 6 -5.861 3.527 -0.172 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.960 1.200 1.488 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.852 2.724 3.103 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.103 2.836 1.493 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.221 4.106 2.045 1.00 1.00 H new ATOM 83 N GLU A 7 -7.725 1.581 3.173 1.00 1.00 N ATOM 84 CA GLU A 7 -8.883 1.718 4.052 1.00 1.00 C ATOM 85 C GLU A 7 -8.470 2.110 5.463 1.00 1.00 C ATOM 86 O GLU A 7 -9.318 2.558 6.242 1.00 1.00 O ATOM 87 CB GLU A 7 -9.606 0.388 4.122 1.00 1.00 C ATOM 88 CG GLU A 7 -10.341 0.010 2.849 1.00 1.00 C ATOM 89 CD GLU A 7 -11.000 -1.354 2.949 1.00 1.00 C ATOM 90 OE1 GLU A 7 -10.841 -2.011 3.998 1.00 1.00 O ATOM 91 OE2 GLU A 7 -11.699 -1.758 1.985 1.00 1.00 O ATOM 0 H GLU A 7 -7.195 0.718 3.295 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.526 2.499 3.645 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.883 -0.394 4.356 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -10.320 0.419 4.945 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -11.099 0.763 2.632 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -9.641 0.013 2.013 1.00 1.00 H new ATOM 98 N TYR A 8 -7.190 1.940 5.795 1.00 1.00 N ATOM 99 CA TYR A 8 -6.664 2.253 7.120 1.00 1.00 C ATOM 100 C TYR A 8 -5.294 2.855 6.913 1.00 1.00 C ATOM 101 O TYR A 8 -4.606 2.491 5.960 1.00 1.00 O ATOM 102 CB TYR A 8 -6.542 0.988 7.992 1.00 1.00 C ATOM 103 CG TYR A 8 -6.239 1.287 9.436 1.00 1.00 C ATOM 104 CD1 TYR A 8 -7.181 1.845 10.295 1.00 1.00 C ATOM 105 CD2 TYR A 8 -4.964 1.077 9.915 1.00 1.00 C ATOM 106 CE1 TYR A 8 -6.836 2.148 11.624 1.00 1.00 C ATOM 107 CE2 TYR A 8 -4.617 1.348 11.226 1.00 1.00 C ATOM 108 CZ TYR A 8 -5.541 1.900 12.058 1.00 1.00 C ATOM 109 OH TYR A 8 -5.167 2.164 13.371 1.00 1.00 O ATOM 0 H TYR A 8 -6.488 1.580 5.149 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.337 2.938 7.635 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -7.472 0.423 7.933 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -5.756 0.351 7.587 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -8.181 2.046 9.940 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -4.211 0.688 9.245 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -7.568 2.568 12.298 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -3.623 1.124 11.585 1.00 1.00 H new ATOM 0 HH TYR A 8 -4.224 1.928 13.496 1.00 1.00 H new ATOM 119 N ASP A 9 -4.866 3.714 7.821 1.00 1.00 N ATOM 120 CA ASP A 9 -3.536 4.292 7.761 1.00 1.00 C ATOM 121 C ASP A 9 -2.508 3.198 8.045 1.00 1.00 C ATOM 122 O ASP A 9 -2.704 2.408 8.983 1.00 1.00 O ATOM 123 CB ASP A 9 -3.312 5.360 8.855 1.00 1.00 C ATOM 124 CG ASP A 9 -4.085 6.635 8.679 1.00 1.00 C ATOM 125 OD1 ASP A 9 -4.767 6.862 7.665 1.00 1.00 O ATOM 126 OD2 ASP A 9 -4.032 7.482 9.601 1.00 1.00 O ATOM 0 H ASP A 9 -5.425 4.028 8.614 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.432 4.739 6.772 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -3.574 4.927 9.820 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -2.250 5.601 8.891 1.00 1.00 H new ATOM 131 N TYR A 10 -1.415 3.163 7.292 1.00 1.00 N ATOM 132 CA TYR A 10 -0.346 2.195 7.520 1.00 1.00 C ATOM 133 C TYR A 10 0.952 2.954 7.591 1.00 1.00 C ATOM 134 O TYR A 10 1.282 3.732 6.685 1.00 1.00 O ATOM 135 CB TYR A 10 -0.234 1.112 6.438 1.00 1.00 C ATOM 136 CG TYR A 10 0.950 0.222 6.722 1.00 1.00 C ATOM 137 CD1 TYR A 10 0.885 -0.725 7.724 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.163 0.386 6.074 1.00 1.00 C ATOM 139 CE1 TYR A 10 1.965 -1.487 8.075 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.257 -0.391 6.411 1.00 1.00 C ATOM 141 CZ TYR A 10 3.155 -1.309 7.409 1.00 1.00 C ATOM 142 OH TYR A 10 4.232 -2.088 7.805 1.00 1.00 O ATOM 0 H TYR A 10 -1.244 3.798 6.512 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.577 1.669 8.447 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.148 0.518 6.410 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.125 1.575 5.457 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -0.049 -0.869 8.248 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.256 1.129 5.296 1.00 1.00 H new ATOM 0 HE1 TYR A 10 1.884 -2.219 8.865 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.191 -0.269 5.882 1.00 1.00 H new ATOM 0 HH TYR A 10 5.064 -1.684 7.481 1.00 1.00 H new ATOM 152 N ASP A 11 1.661 2.750 8.689 1.00 1.00 N ATOM 153 CA ASP A 11 2.938 3.404 8.902 1.00 1.00 C ATOM 154 C ASP A 11 4.081 2.432 8.676 1.00 1.00 C ATOM 155 O ASP A 11 4.208 1.446 9.412 1.00 1.00 O ATOM 156 CB ASP A 11 3.034 3.910 10.339 1.00 1.00 C ATOM 157 CG ASP A 11 4.184 4.861 10.563 1.00 1.00 C ATOM 158 OD1 ASP A 11 4.121 6.013 10.122 1.00 1.00 O ATOM 159 OD2 ASP A 11 5.228 4.491 11.143 1.00 1.00 O ATOM 0 H ASP A 11 1.371 2.134 9.448 1.00 1.00 H new ATOM 0 HA ASP A 11 3.008 4.233 8.198 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.102 4.410 10.604 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.141 3.058 11.010 1.00 1.00 H new ATOM 164 N ALA A 12 4.923 2.693 7.694 1.00 1.00 N ATOM 165 CA ALA A 12 6.047 1.805 7.472 1.00 1.00 C ATOM 166 C ALA A 12 6.916 1.708 8.712 1.00 1.00 C ATOM 167 O ALA A 12 7.310 2.703 9.297 1.00 1.00 O ATOM 168 CB ALA A 12 6.901 2.317 6.337 1.00 1.00 C ATOM 0 H ALA A 12 4.855 3.486 7.056 1.00 1.00 H new ATOM 0 HA ALA A 12 5.645 0.821 7.230 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.742 1.641 6.181 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.303 2.369 5.427 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.275 3.311 6.583 1.00 1.00 H new ATOM 174 N ALA A 13 7.284 0.480 9.045 1.00 1.00 N ATOM 175 CA ALA A 13 8.185 0.207 10.154 1.00 1.00 C ATOM 176 C ALA A 13 9.587 -0.067 9.639 1.00 1.00 C ATOM 177 O ALA A 13 10.502 -0.276 10.426 1.00 1.00 O ATOM 178 CB ALA A 13 7.689 -0.985 10.975 1.00 1.00 C ATOM 0 H ALA A 13 6.966 -0.355 8.554 1.00 1.00 H new ATOM 0 HA ALA A 13 8.208 1.086 10.798 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.378 -1.171 11.799 1.00 1.00 H new ATOM 0 HB2 ALA A 13 6.698 -0.766 11.373 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.637 -1.869 10.339 1.00 1.00 H new ATOM 184 N GLU A 14 9.761 -0.123 8.322 1.00 1.00 N ATOM 185 CA GLU A 14 11.059 -0.405 7.725 1.00 1.00 C ATOM 186 C GLU A 14 11.257 0.534 6.555 1.00 1.00 C ATOM 187 O GLU A 14 10.286 1.082 6.023 1.00 1.00 O ATOM 188 CB GLU A 14 11.173 -1.857 7.219 1.00 1.00 C ATOM 189 CG GLU A 14 11.106 -2.929 8.275 1.00 1.00 C ATOM 190 CD GLU A 14 12.255 -2.893 9.282 1.00 1.00 C ATOM 191 OE1 GLU A 14 13.303 -2.284 8.981 1.00 1.00 O ATOM 192 OE2 GLU A 14 12.096 -3.499 10.358 1.00 1.00 O ATOM 0 H GLU A 14 9.012 0.025 7.645 1.00 1.00 H new ATOM 0 HA GLU A 14 11.821 -0.264 8.492 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.375 -2.034 6.498 1.00 1.00 H new ATOM 0 HB3 GLU A 14 12.116 -1.961 6.682 1.00 1.00 H new ATOM 0 HG2 GLU A 14 10.163 -2.833 8.814 1.00 1.00 H new ATOM 0 HG3 GLU A 14 11.097 -3.903 7.787 1.00 1.00 H new ATOM 199 N ASP A 15 12.492 0.642 6.071 1.00 1.00 N ATOM 200 CA ASP A 15 12.792 1.500 4.936 1.00 1.00 C ATOM 201 C ASP A 15 12.151 1.049 3.640 1.00 1.00 C ATOM 202 O ASP A 15 11.790 1.884 2.825 1.00 1.00 O ATOM 203 CB ASP A 15 14.294 1.598 4.711 1.00 1.00 C ATOM 204 CG ASP A 15 14.939 2.647 5.565 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.261 3.341 6.346 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.185 2.794 5.563 1.00 1.00 O ATOM 0 H ASP A 15 13.298 0.145 6.449 1.00 1.00 H new ATOM 0 HA ASP A 15 12.371 2.470 5.199 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.753 0.632 4.921 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.486 1.821 3.661 1.00 1.00 H new ATOM 211 N ASN A 16 11.992 -0.265 3.464 1.00 1.00 N ATOM 212 CA ASN A 16 11.393 -0.802 2.239 1.00 1.00 C ATOM 213 C ASN A 16 9.863 -0.847 2.248 1.00 1.00 C ATOM 214 O ASN A 16 9.269 -1.354 1.300 1.00 1.00 O ATOM 215 CB ASN A 16 11.976 -2.194 1.914 1.00 1.00 C ATOM 216 CG ASN A 16 13.399 -2.138 1.428 1.00 1.00 C ATOM 217 OD1 ASN A 16 13.882 -1.133 0.984 1.00 1.00 O ATOM 218 ND2 ASN A 16 14.102 -3.272 1.532 1.00 1.00 N ATOM 0 H ASN A 16 12.267 -0.971 4.147 1.00 1.00 H new ATOM 0 HA ASN A 16 11.659 -0.097 1.451 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.927 -2.819 2.806 1.00 1.00 H new ATOM 0 HB3 ASN A 16 11.357 -2.672 1.155 1.00 1.00 H new ATOM 0 HD21 ASN A 16 15.076 -3.298 1.230 1.00 1.00 H new ATOM 0 HD22 ASN A 16 13.664 -4.110 1.914 1.00 1.00 H new ATOM 225 N GLU A 17 9.230 -0.275 3.274 1.00 1.00 N ATOM 226 CA GLU A 17 7.777 -0.261 3.383 1.00 1.00 C ATOM 227 C GLU A 17 7.188 1.103 3.096 1.00 1.00 C ATOM 228 O GLU A 17 7.727 2.135 3.506 1.00 1.00 O ATOM 229 CB GLU A 17 7.365 -0.672 4.797 1.00 1.00 C ATOM 230 CG GLU A 17 7.682 -2.126 5.070 1.00 1.00 C ATOM 231 CD GLU A 17 7.410 -2.566 6.480 1.00 1.00 C ATOM 232 OE1 GLU A 17 6.996 -1.720 7.297 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.596 -3.768 6.769 1.00 1.00 O ATOM 0 H GLU A 17 9.710 0.188 4.046 1.00 1.00 H new ATOM 0 HA GLU A 17 7.396 -0.962 2.640 1.00 1.00 H new ATOM 0 HB2 GLU A 17 7.881 -0.044 5.524 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.297 -0.501 4.929 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.099 -2.746 4.390 1.00 1.00 H new ATOM 0 HG3 GLU A 17 8.733 -2.305 4.843 1.00 1.00 H new ATOM 240 N LEU A 18 6.070 1.111 2.364 1.00 1.00 N ATOM 241 CA LEU A 18 5.348 2.345 2.058 1.00 1.00 C ATOM 242 C LEU A 18 4.575 2.822 3.275 1.00 1.00 C ATOM 243 O LEU A 18 3.970 2.035 4.008 1.00 1.00 O ATOM 244 CB LEU A 18 4.318 2.098 0.960 1.00 1.00 C ATOM 245 CG LEU A 18 4.822 1.786 -0.440 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.692 1.372 -1.373 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.499 3.000 -0.978 1.00 1.00 C ATOM 0 H LEU A 18 5.645 0.271 1.971 1.00 1.00 H new ATOM 0 HA LEU A 18 6.086 3.084 1.747 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.684 1.270 1.278 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.681 2.980 0.896 1.00 1.00 H new ATOM 0 HG LEU A 18 5.516 0.948 -0.381 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.097 1.158 -2.362 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.204 0.480 -0.980 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.965 2.181 -1.445 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.868 2.796 -1.983 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.790 3.827 -1.013 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.335 3.267 -0.332 1.00 1.00 H new ATOM 259 N THR A 19 4.587 4.125 3.456 1.00 1.00 N ATOM 260 CA THR A 19 3.847 4.829 4.488 1.00 1.00 C ATOM 261 C THR A 19 2.710 5.545 3.770 1.00 1.00 C ATOM 262 O THR A 19 2.955 6.238 2.797 1.00 1.00 O ATOM 263 CB THR A 19 4.739 5.859 5.199 1.00 1.00 C ATOM 264 OG1 THR A 19 5.814 5.173 5.834 1.00 1.00 O ATOM 265 CG2 THR A 19 3.990 6.628 6.295 1.00 1.00 C ATOM 0 H THR A 19 5.134 4.751 2.865 1.00 1.00 H new ATOM 0 HA THR A 19 3.484 4.137 5.248 1.00 1.00 H new ATOM 0 HB THR A 19 5.080 6.565 4.442 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.391 5.820 6.290 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.666 7.342 6.765 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.148 7.161 5.854 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.623 5.927 7.045 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.238 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.994 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.775 6.170 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.718 5.616 5.669 1.00 1.00 O ATOM 277 CB PHE A 20 -0.096 5.222 2.351 1.00 1.00 C ATOM 278 CG PHE A 20 -0.394 3.760 2.576 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.168 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.804 2.116 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.846 1.986 3.310 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.216 1.455 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.945 1.053 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.246 4.792 5.050 1.00 1.00 H new ATOM 0 HA PHE A 20 0.644 6.984 3.252 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.987 5.700 1.942 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.686 5.305 1.596 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.289 4.058 3.522 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.409 3.114 1.642 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.767 1.667 3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.915 0.720 1.882 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.152 0.000 2.985 1.00 1.00 H new ATOM 293 N VAL A 21 -1.797 6.932 4.195 1.00 1.00 N ATOM 294 CA VAL A 21 -2.967 7.141 5.033 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.314 1.00 1.00 C ATOM 296 O VAL A 21 -4.213 6.496 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.130 8.621 5.457 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.019 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.192 9.531 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.834 7.417 3.298 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.825 6.564 5.947 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.075 8.729 5.989 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.121 10.062 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.024 8.386 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.894 5.888 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.307 10.564 4.581 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.272 9.434 3.675 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.042 9.252 3.629 1.00 1.00 H new ATOM 309 N GLU A 22 -5.264 6.414 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.547 6.010 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.901 6.908 3.385 1.00 1.00 C ATOM 312 O GLU A 22 -6.739 8.133 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.616 6.163 5.668 1.00 1.00 C ATOM 314 CG GLU A 22 -8.949 5.503 5.283 1.00 1.00 C ATOM 315 CD GLU A 22 -10.081 5.740 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.812 6.303 7.343 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.237 5.354 5.973 1.00 1.00 O ATOM 0 H GLU A 22 -5.242 6.499 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.510 4.969 4.243 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.719 6.593 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.222 5.866 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.254 5.874 4.305 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.792 4.429 5.182 1.00 1.00 H new ATOM 324 N ASN A 23 -7.414 6.289 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.824 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.110 1.336 1.00 1.00 C ATOM 329 CG ASN A 23 -10.058 7.659 1.908 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.582 6.594 1.542 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.577 8.430 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.562 5.280 2.317 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.388 6.155 0.601 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.820 2.016 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.635 0.396 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.444 8.156 3.318 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.109 9.296 3.122 1.00 1.00 H new ATOM 338 N ASP A 24 -5.480 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.246 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.522 6.088 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.906 4.987 -1.112 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.176 0.154 1.00 1.00 C ATOM 343 CG ASP A 24 -2.643 8.405 0.894 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.306 9.464 0.750 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.619 8.338 1.634 1.00 1.00 O ATOM 0 H ASP A 24 -5.172 6.924 1.445 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.535 8.208 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.016 6.330 0.842 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.294 6.978 -0.618 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.726 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.298 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.711 4.721 -3.909 1.00 1.00 C ATOM 353 O LYS A 25 -1.716 5.438 -3.814 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.851 -5.071 1.00 1.00 C ATOM 355 CG LYS A 25 -6.088 6.168 -5.059 1.00 1.00 C ATOM 356 CD LYS A 25 -6.506 6.701 -6.436 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.980 -6.519 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.544 -7.867 1.00 1.00 N ATOM 0 H LYS A 25 -3.873 7.249 -3.060 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.777 4.492 -3.420 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.050 6.755 -5.313 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.128 -5.860 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.661 5.274 -4.814 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.306 6.908 -4.289 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.956 7.617 -6.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.231 5.977 -7.202 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.559 6.059 -6.339 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.290 7.682 -5.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.723 -7.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.435 -8.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.133 6.863 -8.611 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.412 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.401 2.690 -4.299 1.00 1.00 C ATOM 374 C ILE A 26 -1.567 2.086 -5.686 1.00 1.00 C ATOM 375 O ILE A 26 -2.536 1.374 -5.948 1.00 1.00 O ATOM 376 CB ILE A 26 -1.195 1.589 -3.255 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.168 -1.870 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.626 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.269 2.481 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.810 -4.076 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.530 3.340 -4.215 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.076 0.947 -3.246 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.408 1.471 -1.293 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.440 3.089 -1.965 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.227 0.014 -2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.362 -4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.635 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.982 2.889 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.877 3.210 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.845 1.567 -0.910 1.00 1.00 H new ATOM 391 N ILE A 27 -0.628 2.363 -6.573 1.00 1.00 N ATOM 392 CA ILE A 27 -0.735 1.998 -7.975 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.992 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.756 -7.667 1.00 1.00 O ATOM 395 CB ILE A 27 -0.692 3.260 -8.884 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.706 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.700 4.302 -8.403 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.812 4.958 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.237 2.851 -6.339 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.702 1.514 -8.109 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.966 2.951 -9.893 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.974 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.424 3.065 -9.177 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.656 5.177 -9.051 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.704 3.878 -8.434 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.461 4.595 -7.381 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.828 5.353 -10.026 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.570 4.546 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.113 5.760 -9.775 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.385 -9.546 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.589 -10.099 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.661 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.848 1.00 1.00 O ATOM 414 CB ASN A 28 2.351 0.072 -10.609 1.00 1.00 C ATOM 415 CG ASN A 28 2.067 1.080 -11.729 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.191 0.852 -12.559 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.692 2.253 -11.653 1.00 1.00 N ATOM 0 H ASN A 28 -0.673 0.550 -10.137 1.00 1.00 H new ATOM 0 HA ASN A 28 0.594 -1.059 -10.951 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.852 0.579 -9.784 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.036 -0.693 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.448 3.003 -12.299 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.414 2.401 -10.948 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.243 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.586 -3.271 -7.510 1.00 1.00 C ATOM 426 C ILE A 29 1.096 -4.554 -8.146 1.00 1.00 C ATOM 427 O ILE A 29 0.563 -5.030 -9.147 1.00 1.00 O ATOM 428 CB ILE A 29 -0.710 -3.508 -6.743 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.042 -2.230 -5.981 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.611 -4.706 -5.792 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.420 -2.165 -5.402 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.025 -8.714 1.00 1.00 H new ATOM 0 HA ILE A 29 1.347 -2.935 -6.806 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.506 -3.750 -7.448 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.321 -2.112 -5.172 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -0.909 -1.382 -6.653 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.558 -4.834 -5.269 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.387 -5.607 -6.364 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.183 -4.530 -5.067 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.552 -1.216 -4.882 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.155 -2.245 -6.203 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.558 -2.986 -4.699 1.00 1.00 H new ATOM 443 N GLU A 30 2.152 -5.082 -7.546 1.00 1.00 N ATOM 444 CA GLU A 30 2.797 -6.301 -7.973 1.00 1.00 C ATOM 445 C GLU A 30 2.557 -7.335 -6.889 1.00 1.00 C ATOM 446 O GLU A 30 2.691 -7.050 -5.698 1.00 1.00 O ATOM 447 CB GLU A 30 4.284 -6.041 -8.255 1.00 1.00 C ATOM 448 CG GLU A 30 4.928 -7.342 -8.757 1.00 1.00 C ATOM 449 CD GLU A 30 6.409 -7.298 -9.135 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.907 -6.181 -9.348 1.00 1.00 O ATOM 451 OE2 GLU A 30 7.053 -8.348 -9.343 1.00 1.00 O ATOM 0 H GLU A 30 2.591 -4.659 -6.728 1.00 1.00 H new ATOM 0 HA GLU A 30 2.385 -6.677 -8.910 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.395 -5.253 -9.000 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.785 -5.697 -7.350 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.801 -8.100 -7.984 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.368 -7.679 -9.629 1.00 1.00 H new ATOM 458 N PHE A 31 2.160 -8.533 -7.308 1.00 1.00 N ATOM 459 CA PHE A 31 1.811 -9.607 -6.391 1.00 1.00 C ATOM 460 C PHE A 31 3.087 -10.259 -5.877 1.00 1.00 C ATOM 461 O PHE A 31 3.360 -11.430 -6.130 1.00 1.00 O ATOM 462 CB PHE A 31 0.896 -10.604 -7.107 1.00 1.00 C ATOM 463 CG PHE A 31 -0.435 -10.005 -7.488 1.00 1.00 C ATOM 464 CD1 PHE A 31 -0.576 -9.327 -8.667 1.00 1.00 C ATOM 465 CD2 PHE A 31 -1.524 -10.085 -6.648 1.00 1.00 C ATOM 466 CE1 PHE A 31 -1.805 -8.756 -9.034 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.731 -9.528 -7.008 1.00 1.00 C ATOM 468 CZ PHE A 31 -2.866 -8.860 -8.187 1.00 1.00 C ATOM 0 H PHE A 31 2.072 -8.784 -8.293 1.00 1.00 H new ATOM 0 HA PHE A 31 1.267 -9.220 -5.529 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.395 -10.969 -8.004 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.730 -11.466 -6.461 1.00 1.00 H new ATOM 0 HD1 PHE A 31 0.273 -9.229 -9.327 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -1.430 -10.590 -5.698 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -1.908 -8.240 -9.977 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -3.580 -9.622 -6.348 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.813 -8.413 -8.450 1.00 1.00 H new ATOM 478 N VAL A 32 3.833 -9.521 -5.074 1.00 1.00 N ATOM 479 CA VAL A 32 5.085 -10.037 -4.520 1.00 1.00 C ATOM 480 C VAL A 32 4.902 -11.209 -3.581 1.00 1.00 C ATOM 481 O VAL A 32 5.624 -12.180 -3.702 1.00 1.00 O ATOM 482 CB VAL A 32 5.898 -8.935 -3.793 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.083 -9.540 -3.053 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.354 -7.856 -4.755 1.00 1.00 C ATOM 0 H VAL A 32 3.601 -8.569 -4.789 1.00 1.00 H new ATOM 0 HA VAL A 32 5.639 -10.390 -5.390 1.00 1.00 H new ATOM 0 HB VAL A 32 5.241 -8.465 -3.061 1.00 1.00 H new ATOM 0 HG11 VAL A 32 7.640 -8.750 -2.550 1.00 1.00 H new ATOM 0 HG12 VAL A 32 6.723 -10.257 -2.315 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.735 -10.047 -3.764 1.00 1.00 H new ATOM 0 HG21 VAL A 32 6.921 -7.100 -4.212 1.00 1.00 H new ATOM 0 HG22 VAL A 32 6.985 -8.299 -5.526 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.484 -7.392 -5.221 1.00 1.00 H new ATOM 494 N ASP A 33 3.932 -11.137 -2.683 1.00 1.00 N ATOM 495 CA ASP A 33 3.636 -12.202 -1.734 1.00 1.00 C ATOM 496 C ASP A 33 2.117 -12.234 -1.567 1.00 1.00 C ATOM 497 O ASP A 33 1.445 -11.288 -1.941 1.00 1.00 O ATOM 498 CB ASP A 33 4.361 -11.902 -0.418 1.00 1.00 C ATOM 499 CG ASP A 33 4.552 -13.118 0.434 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.071 -14.234 0.099 1.00 1.00 O ATOM 501 OD2 ASP A 33 5.203 -12.987 1.504 1.00 1.00 O ATOM 0 H ASP A 33 3.319 -10.327 -2.591 1.00 1.00 H new ATOM 0 HA ASP A 33 3.978 -13.179 -2.076 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.334 -11.462 -0.637 1.00 1.00 H new ATOM 0 HB3 ASP A 33 3.794 -11.158 0.142 1.00 1.00 H new ATOM 506 N ASP A 34 1.577 -13.329 -1.009 1.00 1.00 N ATOM 507 CA ASP A 34 0.138 -13.464 -0.808 1.00 1.00 C ATOM 508 C ASP A 34 -0.390 -12.428 0.176 1.00 1.00 C ATOM 509 O ASP A 34 -1.528 -11.993 0.081 1.00 1.00 O ATOM 510 CB ASP A 34 -0.222 -14.838 -0.216 1.00 1.00 C ATOM 511 CG ASP A 34 0.433 -15.113 1.101 1.00 1.00 C ATOM 512 OD1 ASP A 34 1.575 -14.675 1.347 1.00 1.00 O ATOM 513 OD2 ASP A 34 -0.165 -15.749 1.981 1.00 1.00 O ATOM 0 H ASP A 34 2.122 -14.131 -0.691 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.309 -13.331 -1.793 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -1.303 -14.900 -0.094 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.064 -15.616 -0.924 1.00 1.00 H new ATOM 518 N ASP A 35 0.434 -12.060 1.151 1.00 1.00 N ATOM 519 CA ASP A 35 0.046 -11.124 2.206 1.00 1.00 C ATOM 520 C ASP A 35 0.572 -9.707 2.032 1.00 1.00 C ATOM 521 O ASP A 35 -0.099 -8.737 2.407 1.00 1.00 O ATOM 522 CB ASP A 35 0.517 -11.679 3.559 1.00 1.00 C ATOM 523 CG ASP A 35 1.983 -11.999 3.545 1.00 1.00 C ATOM 524 OD1 ASP A 35 2.699 -11.984 2.517 1.00 1.00 O ATOM 525 OD2 ASP A 35 2.485 -12.352 4.632 1.00 1.00 O ATOM 0 H ASP A 35 1.392 -12.401 1.234 1.00 1.00 H new ATOM 0 HA ASP A 35 -1.040 -11.041 2.153 1.00 1.00 H new ATOM 0 HB2 ASP A 35 0.311 -10.951 4.343 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -0.050 -12.578 3.801 1.00 1.00 H new ATOM 530 N TRP A 36 1.782 -9.598 1.517 1.00 1.00 N ATOM 531 CA TRP A 36 2.423 -8.318 1.320 1.00 1.00 C ATOM 532 C TRP A 36 2.527 -8.082 -0.170 1.00 1.00 C ATOM 533 O TRP A 36 2.941 -8.982 -0.908 1.00 1.00 O ATOM 534 CB TRP A 36 3.816 -8.330 1.931 1.00 1.00 C ATOM 535 CG TRP A 36 3.809 -8.151 3.406 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.696 -9.120 4.356 1.00 1.00 C ATOM 537 CD2 TRP A 36 3.861 -6.909 4.100 1.00 1.00 C ATOM 538 NE1 TRP A 36 3.697 -8.551 5.607 1.00 1.00 N ATOM 539 CE2 TRP A 36 3.812 -7.190 5.482 1.00 1.00 C ATOM 540 CE3 TRP A 36 4.010 -5.587 3.703 1.00 1.00 C ATOM 541 CZ2 TRP A 36 3.870 -6.181 6.455 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.085 -4.605 4.669 1.00 1.00 C ATOM 543 CH2 TRP A 36 4.019 -4.905 6.019 1.00 1.00 C ATOM 0 H TRP A 36 2.346 -10.396 1.224 1.00 1.00 H new ATOM 0 HA TRP A 36 1.844 -7.528 1.799 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.304 -9.274 1.688 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.411 -7.537 1.478 1.00 1.00 H new ATOM 0 HD1 TRP A 36 3.617 -10.178 4.156 1.00 1.00 H new ATOM 0 HE1 TRP A 36 3.624 -9.060 6.488 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.066 -5.332 2.655 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 3.799 -6.411 7.508 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 4.198 -3.575 4.364 1.00 1.00 H new ATOM 0 HH2 TRP A 36 4.088 -4.105 6.741 1.00 1.00 H new ATOM 554 N TRP A 37 2.160 -6.878 -0.607 1.00 1.00 N ATOM 555 CA TRP A 37 2.208 -6.497 -1.991 1.00 1.00 C ATOM 556 C TRP A 37 3.176 -5.342 -2.130 1.00 1.00 C ATOM 557 O TRP A 37 3.471 -4.644 -1.173 1.00 1.00 O ATOM 558 CB TRP A 37 0.846 -6.099 -2.533 1.00 1.00 C ATOM 559 CG TRP A 37 -0.027 -7.267 -2.920 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.392 -8.514 -3.266 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.458 -7.286 -3.015 1.00 1.00 C ATOM 562 NE1 TRP A 37 -0.686 -9.309 -3.581 1.00 1.00 N ATOM 563 CE2 TRP A 37 -1.833 -8.585 -3.430 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.456 -6.351 -2.788 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -3.151 -8.953 -3.628 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.778 -6.730 -3.005 1.00 1.00 C ATOM 567 CH2 TRP A 37 -4.102 -8.018 -3.408 1.00 1.00 C ATOM 0 H TRP A 37 1.819 -6.141 0.010 1.00 1.00 H new ATOM 0 HA TRP A 37 2.537 -7.357 -2.574 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.327 -5.504 -1.781 1.00 1.00 H new ATOM 0 HB3 TRP A 37 0.986 -5.459 -3.404 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.423 -8.834 -3.290 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -0.636 -10.283 -3.879 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -2.214 -5.354 -2.451 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.411 -9.951 -3.947 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.567 -6.007 -2.857 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -5.140 -8.280 -3.549 1.00 1.00 H new ATOM 578 N LEU A 38 3.676 -5.168 -3.336 1.00 1.00 N ATOM 579 CA LEU A 38 4.591 -4.103 -3.656 1.00 1.00 C ATOM 580 C LEU A 38 3.867 -3.098 -4.566 1.00 1.00 C ATOM 581 O LEU A 38 3.348 -3.493 -5.609 1.00 1.00 O ATOM 582 CB LEU A 38 5.766 -4.666 -4.405 1.00 1.00 C ATOM 583 CG LEU A 38 7.011 -3.870 -4.823 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.761 -3.346 -3.608 1.00 1.00 C ATOM 585 CD2 LEU A 38 7.949 -4.650 -5.700 1.00 1.00 C ATOM 0 H LEU A 38 3.453 -5.772 -4.127 1.00 1.00 H new ATOM 0 HA LEU A 38 4.933 -3.618 -2.742 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.132 -5.499 -3.805 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.360 -5.089 -5.324 1.00 1.00 H new ATOM 0 HG LEU A 38 6.640 -3.032 -5.413 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.638 -2.787 -3.935 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.107 -2.692 -3.031 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.076 -4.184 -2.986 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.807 -4.029 -5.958 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.291 -5.538 -5.168 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.431 -4.950 -6.611 1.00 1.00 H new ATOM 597 N GLY A 39 3.862 -1.830 -4.200 1.00 1.00 N ATOM 598 CA GLY A 39 3.236 -0.846 -5.045 1.00 1.00 C ATOM 599 C GLY A 39 3.947 0.485 -4.980 1.00 1.00 C ATOM 600 O GLY A 39 5.029 0.599 -4.400 1.00 1.00 O ATOM 0 H GLY A 39 4.276 -1.468 -3.341 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.228 -1.204 -6.075 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.196 -0.717 -4.744 1.00 1.00 H new ATOM 604 N GLU A 40 3.306 1.480 -5.566 1.00 1.00 N ATOM 605 CA GLU A 40 3.809 2.835 -5.626 1.00 1.00 C ATOM 606 C GLU A 40 2.701 3.801 -5.239 1.00 1.00 C ATOM 607 O GLU A 40 1.555 3.639 -5.649 1.00 1.00 O ATOM 608 CB GLU A 40 4.272 3.126 -7.044 1.00 1.00 C ATOM 609 CG GLU A 40 4.812 4.530 -7.253 1.00 1.00 C ATOM 610 CD GLU A 40 5.232 4.827 -8.683 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.875 4.029 -9.576 1.00 1.00 O ATOM 612 OE2 GLU A 40 5.974 5.829 -8.888 1.00 1.00 O ATOM 0 H GLU A 40 2.401 1.363 -6.023 1.00 1.00 H new ATOM 0 HA GLU A 40 4.645 2.954 -4.936 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.046 2.408 -7.315 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.437 2.966 -7.726 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.050 5.249 -6.953 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.668 4.680 -6.596 1.00 1.00 H new ATOM 619 N LEU A 41 3.032 4.829 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.003 5.785 -4.093 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.706 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.507 7.331 -5.845 1.00 1.00 O ATOM 623 CB LEU A 41 2.415 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.672 5.912 -1.602 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.913 6.916 -0.470 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.961 -1.245 1.00 1.00 C ATOM 0 H LEU A 41 3.965 5.016 -4.097 1.00 1.00 H new ATOM 0 HA LEU A 41 1.137 5.181 -3.822 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.180 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.637 7.382 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.572 5.313 -1.743 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.095 6.378 0.460 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.780 7.532 -0.709 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.036 7.553 -0.355 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.822 4.472 -0.300 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.644 5.505 -1.145 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.485 4.209 -2.028 1.00 1.00 H new ATOM 638 N GLU A 42 0.343 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.099 7.854 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.065 -6.909 1.00 1.00 O ATOM 642 CB GLU A 42 -1.641 7.877 -6.458 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.375 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.365 -7.092 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.182 9.144 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.300 9.896 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.402 6.341 -5.018 1.00 1.00 H new ATOM 0 HA GLU A 42 0.297 7.589 -7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.008 6.901 -6.776 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.012 8.043 -5.447 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.826 -7.309 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.145 8.582 -8.402 1.00 1.00 H new ATOM 653 N LYS A 43 0.414 9.558 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.648 10.955 -4.398 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.530 1.00 1.00 C ATOM 656 O LYS A 43 2.298 12.647 -4.631 1.00 1.00 O ATOM 657 CB LYS A 43 0.110 11.249 -2.997 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.748 -0.553 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.246 0.610 1.00 1.00 C ATOM 661 NZ LYS A 43 0.177 10.410 1.857 1.00 1.00 N ATOM 0 H LYS A 43 0.270 8.909 -3.987 1.00 1.00 H new ATOM 0 HA LYS A 43 0.093 11.524 -5.144 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.076 12.329 -2.852 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.916 10.886 -2.930 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.116 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.879 11.138 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.379 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.618 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.217 9.197 0.464 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.900 10.795 0.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.825 10.527 2.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.431 11.250 1.777 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.414 9.568 2.009 1.00 1.00 H new ATOM 675 N ASP A 44 3.054 10.539 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.445 10.977 -4.534 1.00 1.00 C ATOM 677 C ASP A 44 5.415 10.097 -5.295 1.00 1.00 C ATOM 678 O ASP A 44 6.595 10.404 -5.308 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.215 -3.101 1.00 1.00 C ATOM 680 CG ASP A 44 5.027 9.980 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.832 -2.754 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.194 10.092 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.918 9.528 -4.520 1.00 1.00 H new ATOM 0 HA ASP A 44 4.426 11.913 -5.093 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.668 -3.151 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.294 11.937 -2.615 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.996 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.889 8.156 -6.631 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.259 -5.793 1.00 1.00 C ATOM 690 O GLY A 45 7.586 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.001 8.673 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.313 7.533 -7.316 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.526 8.796 -7.241 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.369 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.852 4.688 -4.170 1.00 1.00 O ATOM 698 CB SER A 46 7.387 6.756 -2.148 1.00 1.00 C ATOM 699 OG SER A 46 6.100 6.703 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.987 7.851 -3.958 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.469 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.035 6.092 -1.576 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.780 7.766 -2.027 1.00 1.00 H new ATOM 0 HG SER A 46 5.580 7.467 -1.942 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.677 1.00 1.00 N ATOM 706 CA LYS A 47 7.609 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.058 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.032 2.107 -2.071 1.00 1.00 O ATOM 709 CB LYS A 47 8.338 2.071 -5.166 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.790 -6.424 1.00 1.00 C ATOM 711 CD LYS A 47 8.446 2.133 -7.681 1.00 1.00 C ATOM 712 CE LYS A 47 8.145 3.004 -8.894 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.275 -10.203 1.00 1.00 N ATOM 0 H LYS A 47 8.867 4.156 -3.375 1.00 1.00 H new ATOM 0 HA LYS A 47 6.534 2.481 -4.072 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.186 -5.023 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.145 1.005 -5.284 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.837 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.289 3.817 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.521 1.971 -7.598 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.985 1.153 -7.805 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.444 -8.774 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.859 3.827 -8.922 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.979 2.936 -10.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.146 1.877 -10.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.495 1.506 -10.199 1.00 1.00 H new ATOM 727 N GLY A 48 7.375 0.660 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.748 -0.197 -1.389 1.00 1.00 C ATOM 729 C GLY A 48 6.684 -1.210 -1.051 1.00 1.00 C ATOM 730 O GLY A 48 5.577 -1.195 -1.600 1.00 1.00 O ATOM 0 H GLY A 48 6.568 0.343 -3.028 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.673 -0.717 -1.636 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.952 0.416 -0.511 1.00 1.00 H new ATOM 734 N LEU A 49 7.029 -2.076 -0.114 1.00 1.00 N ATOM 735 CA LEU A 49 6.151 -3.113 0.362 1.00 1.00 C ATOM 736 C LEU A 49 5.034 -2.549 1.219 1.00 1.00 C ATOM 737 O LEU A 49 5.259 -1.701 2.097 1.00 1.00 O ATOM 738 CB LEU A 49 6.950 -4.098 1.211 1.00 1.00 C ATOM 739 CG LEU A 49 7.994 -4.929 0.490 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.775 -5.724 1.498 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.321 -5.852 -0.520 1.00 1.00 C ATOM 0 H LEU A 49 7.942 -2.072 0.340 1.00 1.00 H new ATOM 0 HA LEU A 49 5.715 -3.604 -0.508 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.448 -3.538 2.003 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.248 -4.778 1.694 1.00 1.00 H new ATOM 0 HG LEU A 49 8.676 -4.273 -0.051 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.527 -6.323 0.985 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.266 -5.045 2.195 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.099 -6.381 2.046 1.00 1.00 H new ATOM 0 HD21 LEU A 49 8.079 -6.445 -1.033 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.630 -6.517 -0.001 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.772 -5.255 -1.249 1.00 1.00 H new ATOM 753 N PHE A 50 3.829 -3.058 1.001 1.00 1.00 N ATOM 754 CA PHE A 50 2.693 -2.628 1.781 1.00 1.00 C ATOM 755 C PHE A 50 1.866 -3.849 2.119 1.00 1.00 C ATOM 756 O PHE A 50 1.822 -4.801 1.319 1.00 1.00 O ATOM 757 CB PHE A 50 1.857 -1.587 1.030 1.00 1.00 C ATOM 758 CG PHE A 50 1.130 -2.131 -0.161 1.00 1.00 C ATOM 759 CD1 PHE A 50 -0.103 -2.723 -0.012 1.00 1.00 C ATOM 760 CD2 PHE A 50 1.688 -2.123 -1.428 1.00 1.00 C ATOM 761 CE1 PHE A 50 -0.770 -3.260 -1.082 1.00 1.00 C ATOM 762 CE2 PHE A 50 1.007 -2.663 -2.502 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.223 -3.238 -2.327 1.00 1.00 C ATOM 0 H PHE A 50 3.621 -3.764 0.294 1.00 1.00 H new ATOM 0 HA PHE A 50 3.039 -2.146 2.695 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.131 -1.154 1.719 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.511 -0.778 0.705 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -0.554 -2.765 0.968 1.00 1.00 H new ATOM 0 HD2 PHE A 50 2.666 -1.690 -1.578 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -1.742 -3.706 -0.935 1.00 1.00 H new ATOM 0 HE2 PHE A 50 1.448 -2.631 -3.487 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.751 -3.668 -3.165 1.00 1.00 H new ATOM 773 N PRO A 51 1.227 -3.862 3.289 1.00 1.00 N ATOM 774 CA PRO A 51 0.433 -5.027 3.676 1.00 1.00 C ATOM 775 C PRO A 51 -0.885 -4.987 2.936 1.00 1.00 C ATOM 776 O PRO A 51 -1.590 -3.987 2.897 1.00 1.00 O ATOM 777 CB PRO A 51 0.256 -4.849 5.196 1.00 1.00 C ATOM 778 CG PRO A 51 0.354 -3.395 5.452 1.00 1.00 C ATOM 779 CD PRO A 51 1.242 -2.841 4.354 1.00 1.00 C ATOM 0 HA PRO A 51 0.887 -5.989 3.438 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.707 -5.239 5.525 1.00 1.00 H new ATOM 0 HB3 PRO A 51 1.024 -5.394 5.744 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.630 -2.927 5.432 1.00 1.00 H new ATOM 0 HG3 PRO A 51 0.780 -3.199 6.436 1.00 1.00 H new ATOM 0 HD2 PRO A 51 0.866 -1.886 3.988 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.255 -2.667 4.718 1.00 1.00 H new ATOM 787 N SER A 52 -1.224 -6.102 2.297 1.00 1.00 N ATOM 788 CA SER A 52 -2.439 -6.167 1.501 1.00 1.00 C ATOM 789 C SER A 52 -3.722 -5.945 2.293 1.00 1.00 C ATOM 790 O SER A 52 -4.663 -5.315 1.795 1.00 1.00 O ATOM 791 CB SER A 52 -2.494 -7.506 0.787 1.00 1.00 C ATOM 792 OG SER A 52 -1.303 -7.706 0.072 1.00 1.00 O ATOM 0 H SER A 52 -0.679 -6.964 2.315 1.00 1.00 H new ATOM 0 HA SER A 52 -2.388 -5.343 0.789 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.636 -8.310 1.510 1.00 1.00 H new ATOM 0 HB3 SER A 52 -3.347 -7.533 0.108 1.00 1.00 H new ATOM 0 HG SER A 52 -1.444 -7.473 -0.869 1.00 1.00 H new ATOM 798 N ASN A 53 -3.785 -6.425 3.531 1.00 1.00 N ATOM 799 CA ASN A 53 -4.996 -6.246 4.313 1.00 1.00 C ATOM 800 C ASN A 53 -5.313 -4.770 4.625 1.00 1.00 C ATOM 801 O ASN A 53 -6.374 -4.452 5.139 1.00 1.00 O ATOM 802 CB ASN A 53 -4.947 -7.111 5.609 1.00 1.00 C ATOM 803 CG ASN A 53 -3.851 -6.619 6.646 1.00 1.00 C ATOM 804 OD1 ASN A 53 -4.180 -5.967 7.614 1.00 1.00 O ATOM 805 ND2 ASN A 53 -2.575 -6.958 6.420 1.00 1.00 N ATOM 0 H ASN A 53 -3.032 -6.927 4.002 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.821 -6.596 3.693 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -5.926 -7.092 6.088 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.744 -8.147 5.339 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -1.847 -6.667 7.072 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -2.332 -7.507 5.596 1.00 1.00 H new ATOM 812 N TYR A 54 -4.417 -3.838 4.307 1.00 1.00 N ATOM 813 CA TYR A 54 -4.697 -2.427 4.558 1.00 1.00 C ATOM 814 C TYR A 54 -5.294 -1.703 3.348 1.00 1.00 C ATOM 815 O TYR A 54 -5.538 -0.509 3.443 1.00 1.00 O ATOM 816 CB TYR A 54 -3.462 -1.666 5.056 1.00 1.00 C ATOM 817 CG TYR A 54 -3.056 -2.053 6.443 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.591 -3.311 6.713 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.129 -1.147 7.494 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.201 -3.669 7.981 1.00 1.00 C ATOM 821 CE2 TYR A 54 -2.735 -1.499 8.769 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.271 -2.757 9.005 1.00 1.00 C ATOM 823 OH TYR A 54 -1.857 -3.136 10.270 1.00 1.00 O ATOM 0 H TYR A 54 -3.509 -4.029 3.884 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.449 -2.430 5.347 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.630 -1.849 4.376 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.666 -0.596 5.029 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.529 -4.036 5.915 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.501 -0.150 7.310 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -1.839 -4.668 8.172 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -2.794 -0.781 9.574 1.00 1.00 H new ATOM 0 HH TYR A 54 -1.965 -2.384 10.889 1.00 1.00 H new ATOM 833 N VAL A 55 -5.493 -2.388 2.228 1.00 1.00 N ATOM 834 CA VAL A 55 -6.026 -1.751 1.024 1.00 1.00 C ATOM 835 C VAL A 55 -7.067 -2.615 0.343 1.00 1.00 C ATOM 836 O VAL A 55 -7.143 -3.825 0.559 1.00 1.00 O ATOM 837 CB VAL A 55 -4.901 -1.416 -0.017 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.922 -0.383 0.529 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.164 -2.656 -0.425 1.00 1.00 C ATOM 0 H VAL A 55 -5.294 -3.383 2.126 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.487 -0.824 1.363 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.389 -0.991 -0.894 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.157 -0.176 -0.219 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.457 0.537 0.765 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.451 -0.770 1.432 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.389 -2.398 -1.147 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.705 -3.112 0.452 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -4.861 -3.361 -0.877 1.00 1.00 H new ATOM 849 N SER A 56 -7.861 -1.987 -0.509 1.00 1.00 N ATOM 850 CA SER A 56 -8.879 -2.641 -1.299 1.00 1.00 C ATOM 851 C SER A 56 -8.705 -2.222 -2.761 1.00 1.00 C ATOM 852 O SER A 56 -8.571 -1.043 -3.016 1.00 1.00 O ATOM 853 CB SER A 56 -10.241 -2.215 -0.787 1.00 1.00 C ATOM 854 OG SER A 56 -11.235 -2.608 -1.690 1.00 1.00 O ATOM 0 H SER A 56 -7.810 -0.981 -0.671 1.00 1.00 H new ATOM 0 HA SER A 56 -8.793 -3.725 -1.223 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.428 -2.662 0.190 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.267 -1.134 -0.653 1.00 1.00 H new ATOM 0 HG SER A 56 -12.112 -2.331 -1.352 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.180 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.832 -5.100 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -5.603 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.227 1.00 1.00 O ATOM 864 CB LEU A 57 -8.373 -4.060 -5.992 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.625 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.183 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.446 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.778 -4.176 -3.495 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.323 -5.153 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.339 -4.565 -5.974 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.204 -3.732 -7.018 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.596 -5.526 -4.683 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.412 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.870 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.917 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.222 -5.139 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.937 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.726 -4.581 1.00 1.00 H new ATOM 879 N GLY A 58 -9.130 -0.937 -6.434 1.00 1.00 N ATOM 880 CA GLY A 58 -10.061 0.015 -7.031 1.00 1.00 C ATOM 881 C GLY A 58 -10.581 1.045 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.014 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.806 -6.711 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.566 0.526 -7.856 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.531 -7.454 1.00 1.00 H new ATOM 886 N ASN A 59 -11.661 1.724 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.802 -5.690 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.060 -4.085 1.00 1.00 O ATOM 890 CB ASN A 59 -12.994 3.807 -6.621 1.00 1.00 C ATOM 891 CG ASN A 59 -12.391 5.200 -6.565 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.872 5.643 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.457 5.902 -7.690 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.155 1.049 -4.354 1.00 1.00 O ATOM 0 H ASN A 59 -12.135 1.536 -7.347 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.474 3.340 -5.176 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.953 3.439 -7.646 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.047 3.860 -6.343 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.068 6.844 -7.727 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.896 5.499 -8.518 1.00 1.00 H new TER 901 ASN A 59