USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.00371 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-0.00957 K(o=-0.0096,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.44 K(o=-0.44,f=-2!) USER MOD Single : A 61 HIS : no HE2:sc= -2.35 K(o=-2.3,f=-2.9) USER MOD Single : A 62 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.021) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 67 TYR OH : rot -151:sc= -2.8! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0.651 (180deg=0.505) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc=-0.000412 X(o=-0.00041,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc=-0.00256 (180deg=-0.327) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.810 -20.333 13.681 1.00 0.00 N ATOM 2 CA GLY A 1 -13.334 -20.300 12.328 1.00 0.00 C ATOM 3 C GLY A 1 -13.062 -18.981 11.633 1.00 0.00 C ATOM 4 O GLY A 1 -13.548 -17.934 12.061 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.022 -21.255 14.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.780 -20.190 13.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.252 -19.578 14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.890 -21.110 11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.409 -20.479 12.354 1.00 0.00 H new ATOM 8 N SER A 2 -12.282 -19.030 10.558 1.00 0.00 N ATOM 9 CA SER A 2 -11.941 -17.828 9.806 1.00 0.00 C ATOM 10 C SER A 2 -12.222 -18.020 8.318 1.00 0.00 C ATOM 11 O SER A 2 -12.551 -19.120 7.875 1.00 0.00 O ATOM 12 CB SER A 2 -10.468 -17.470 10.016 1.00 0.00 C ATOM 13 OG SER A 2 -10.278 -16.798 11.249 1.00 0.00 O ATOM 0 H SER A 2 -11.874 -19.889 10.188 1.00 0.00 H new ATOM 0 HA SER A 2 -12.562 -17.011 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.863 -18.377 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.123 -16.839 9.197 1.00 0.00 H new ATOM 0 HG SER A 2 -9.329 -16.582 11.361 1.00 0.00 H new ATOM 19 N SER A 3 -12.090 -16.941 7.554 1.00 0.00 N ATOM 20 CA SER A 3 -12.334 -16.989 6.117 1.00 0.00 C ATOM 21 C SER A 3 -11.062 -16.664 5.339 1.00 0.00 C ATOM 22 O SER A 3 -10.038 -16.311 5.922 1.00 0.00 O ATOM 23 CB SER A 3 -13.443 -16.007 5.733 1.00 0.00 C ATOM 24 OG SER A 3 -14.574 -16.163 6.572 1.00 0.00 O ATOM 0 H SER A 3 -11.816 -16.024 7.905 1.00 0.00 H new ATOM 0 HA SER A 3 -12.649 -18.001 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.070 -14.985 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.732 -16.167 4.694 1.00 0.00 H new ATOM 0 HG SER A 3 -15.268 -15.523 6.308 1.00 0.00 H new ATOM 30 N GLY A 4 -11.135 -16.789 4.017 1.00 0.00 N ATOM 31 CA GLY A 4 -9.984 -16.506 3.180 1.00 0.00 C ATOM 32 C GLY A 4 -10.360 -16.306 1.726 1.00 0.00 C ATOM 33 O GLY A 4 -10.297 -17.240 0.927 1.00 0.00 O ATOM 0 H GLY A 4 -11.971 -17.081 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.482 -15.612 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.271 -17.327 3.258 1.00 0.00 H new ATOM 37 N SER A 5 -10.754 -15.084 1.380 1.00 0.00 N ATOM 38 CA SER A 5 -11.147 -14.766 0.013 1.00 0.00 C ATOM 39 C SER A 5 -10.840 -13.308 -0.315 1.00 0.00 C ATOM 40 O SER A 5 -10.314 -12.998 -1.384 1.00 0.00 O ATOM 41 CB SER A 5 -12.638 -15.042 -0.189 1.00 0.00 C ATOM 42 OG SER A 5 -12.844 -16.302 -0.805 1.00 0.00 O ATOM 0 H SER A 5 -10.809 -14.298 2.028 1.00 0.00 H new ATOM 0 HA SER A 5 -10.572 -15.401 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.150 -15.016 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.076 -14.257 -0.805 1.00 0.00 H new ATOM 0 HG SER A 5 -12.179 -16.941 -0.474 1.00 0.00 H new ATOM 48 N SER A 6 -11.173 -12.416 0.613 1.00 0.00 N ATOM 49 CA SER A 6 -10.937 -10.990 0.422 1.00 0.00 C ATOM 50 C SER A 6 -9.485 -10.727 0.032 1.00 0.00 C ATOM 51 O SER A 6 -8.598 -11.527 0.323 1.00 0.00 O ATOM 52 CB SER A 6 -11.281 -10.219 1.698 1.00 0.00 C ATOM 53 OG SER A 6 -11.730 -8.909 1.397 1.00 0.00 O ATOM 0 H SER A 6 -11.607 -12.656 1.504 1.00 0.00 H new ATOM 0 HA SER A 6 -11.581 -10.646 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.053 -10.753 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.404 -10.167 2.343 1.00 0.00 H new ATOM 0 HG SER A 6 -11.945 -8.438 2.229 1.00 0.00 H new ATOM 59 N GLY A 7 -9.252 -9.598 -0.631 1.00 0.00 N ATOM 60 CA GLY A 7 -7.908 -9.248 -1.051 1.00 0.00 C ATOM 61 C GLY A 7 -7.688 -9.469 -2.534 1.00 0.00 C ATOM 62 O GLY A 7 -7.159 -10.502 -2.945 1.00 0.00 O ATOM 0 H GLY A 7 -9.970 -8.920 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.716 -8.202 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.188 -9.842 -0.488 1.00 0.00 H new ATOM 66 N THR A 8 -8.097 -8.496 -3.343 1.00 0.00 N ATOM 67 CA THR A 8 -7.945 -8.590 -4.789 1.00 0.00 C ATOM 68 C THR A 8 -7.300 -7.331 -5.357 1.00 0.00 C ATOM 69 O THR A 8 -7.146 -6.330 -4.657 1.00 0.00 O ATOM 70 CB THR A 8 -9.301 -8.816 -5.483 1.00 0.00 C ATOM 71 OG1 THR A 8 -10.350 -8.215 -4.716 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.580 -10.301 -5.657 1.00 0.00 C ATOM 0 H THR A 8 -8.536 -7.634 -3.020 1.00 0.00 H new ATOM 0 HA THR A 8 -7.299 -9.446 -4.984 1.00 0.00 H new ATOM 0 HB THR A 8 -9.261 -8.353 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.209 -8.362 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.543 -10.435 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.795 -10.750 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.602 -10.784 -4.680 1.00 0.00 H new ATOM 80 N SER A 9 -6.924 -7.387 -6.631 1.00 0.00 N ATOM 81 CA SER A 9 -6.292 -6.251 -7.292 1.00 0.00 C ATOM 82 C SER A 9 -6.118 -6.519 -8.784 1.00 0.00 C ATOM 83 O SER A 9 -5.955 -7.663 -9.205 1.00 0.00 O ATOM 84 CB SER A 9 -4.934 -5.953 -6.654 1.00 0.00 C ATOM 85 OG SER A 9 -4.066 -7.068 -6.758 1.00 0.00 O ATOM 0 H SER A 9 -7.046 -8.207 -7.226 1.00 0.00 H new ATOM 0 HA SER A 9 -6.941 -5.384 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.482 -5.089 -7.141 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.071 -5.692 -5.605 1.00 0.00 H new ATOM 0 HG SER A 9 -3.204 -6.851 -6.344 1.00 0.00 H new ATOM 91 N ALA A 10 -6.154 -5.454 -9.578 1.00 0.00 N ATOM 92 CA ALA A 10 -5.998 -5.573 -11.023 1.00 0.00 C ATOM 93 C ALA A 10 -4.739 -6.357 -11.376 1.00 0.00 C ATOM 94 O ALA A 10 -3.756 -6.339 -10.635 1.00 0.00 O ATOM 95 CB ALA A 10 -5.961 -4.193 -11.665 1.00 0.00 C ATOM 0 H ALA A 10 -6.290 -4.499 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.856 -6.120 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.844 -4.297 -12.744 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.891 -3.666 -11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.121 -3.627 -11.262 1.00 0.00 H new ATOM 101 N LEU A 11 -4.776 -7.044 -12.512 1.00 0.00 N ATOM 102 CA LEU A 11 -3.637 -7.836 -12.964 1.00 0.00 C ATOM 103 C LEU A 11 -2.796 -7.056 -13.969 1.00 0.00 C ATOM 104 O LEU A 11 -3.230 -6.799 -15.091 1.00 0.00 O ATOM 105 CB LEU A 11 -4.118 -9.145 -13.593 1.00 0.00 C ATOM 106 CG LEU A 11 -3.284 -10.388 -13.278 1.00 0.00 C ATOM 107 CD1 LEU A 11 -4.066 -11.651 -13.601 1.00 0.00 C ATOM 108 CD2 LEU A 11 -1.972 -10.358 -14.048 1.00 0.00 C ATOM 0 H LEU A 11 -5.582 -7.069 -13.137 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.017 -8.063 -12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.142 -9.327 -13.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.147 -9.016 -14.675 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.056 -10.390 -12.212 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.457 -12.525 -13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.978 -11.677 -13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.325 -11.658 -14.660 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.391 -11.250 -13.812 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.179 -10.332 -15.118 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.405 -9.471 -13.766 1.00 0.00 H new ATOM 120 N ALA A 12 -1.588 -6.683 -13.558 1.00 0.00 N ATOM 121 CA ALA A 12 -0.684 -5.936 -14.423 1.00 0.00 C ATOM 122 C ALA A 12 0.693 -5.790 -13.784 1.00 0.00 C ATOM 123 O ALA A 12 0.846 -5.846 -12.564 1.00 0.00 O ATOM 124 CB ALA A 12 -1.268 -4.567 -14.741 1.00 0.00 C ATOM 0 H ALA A 12 -1.213 -6.886 -12.631 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.567 -6.494 -15.352 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.582 -4.020 -15.388 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.225 -4.689 -15.248 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.415 -4.010 -13.815 1.00 0.00 H new ATOM 130 N PRO A 13 1.720 -5.600 -14.625 1.00 0.00 N ATOM 131 CA PRO A 13 3.103 -5.443 -14.164 1.00 0.00 C ATOM 132 C PRO A 13 3.325 -4.121 -13.438 1.00 0.00 C ATOM 133 O PRO A 13 2.655 -3.127 -13.719 1.00 0.00 O ATOM 134 CB PRO A 13 3.916 -5.485 -15.460 1.00 0.00 C ATOM 135 CG PRO A 13 2.968 -5.034 -16.517 1.00 0.00 C ATOM 136 CD PRO A 13 1.611 -5.523 -16.092 1.00 0.00 C ATOM 0 HA PRO A 13 3.383 -6.213 -13.445 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.786 -4.831 -15.403 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.286 -6.490 -15.663 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.979 -3.948 -16.614 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.244 -5.443 -17.489 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.822 -4.837 -16.401 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.379 -6.494 -16.529 1.00 0.00 H new ATOM 144 N VAL A 14 4.270 -4.115 -12.504 1.00 0.00 N ATOM 145 CA VAL A 14 4.582 -2.914 -11.738 1.00 0.00 C ATOM 146 C VAL A 14 5.996 -2.426 -12.034 1.00 0.00 C ATOM 147 O VAL A 14 6.975 -3.095 -11.707 1.00 0.00 O ATOM 148 CB VAL A 14 4.442 -3.161 -10.225 1.00 0.00 C ATOM 149 CG1 VAL A 14 4.768 -1.896 -9.445 1.00 0.00 C ATOM 150 CG2 VAL A 14 3.042 -3.655 -9.893 1.00 0.00 C ATOM 0 H VAL A 14 4.834 -4.929 -12.259 1.00 0.00 H new ATOM 0 HA VAL A 14 3.866 -2.150 -12.041 1.00 0.00 H new ATOM 0 HB VAL A 14 5.154 -3.933 -9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.664 -2.090 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.792 -1.590 -9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.082 -1.101 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.961 -3.824 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.310 -2.907 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.850 -4.588 -10.423 1.00 0.00 H new ATOM 160 N ALA A 15 6.094 -1.255 -12.654 1.00 0.00 N ATOM 161 CA ALA A 15 7.388 -0.675 -12.992 1.00 0.00 C ATOM 162 C ALA A 15 7.290 0.840 -13.138 1.00 0.00 C ATOM 163 O ALA A 15 8.032 1.448 -13.908 1.00 0.00 O ATOM 164 CB ALA A 15 7.927 -1.297 -14.271 1.00 0.00 C ATOM 0 H ALA A 15 5.292 -0.689 -12.933 1.00 0.00 H new ATOM 0 HA ALA A 15 8.079 -0.891 -12.177 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.894 -0.855 -14.511 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.044 -2.372 -14.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.230 -1.111 -15.088 1.00 0.00 H new ATOM 170 N ALA A 16 6.368 1.443 -12.394 1.00 0.00 N ATOM 171 CA ALA A 16 6.174 2.887 -12.441 1.00 0.00 C ATOM 172 C ALA A 16 5.949 3.456 -11.044 1.00 0.00 C ATOM 173 O ALA A 16 4.814 3.548 -10.576 1.00 0.00 O ATOM 174 CB ALA A 16 5.002 3.233 -13.348 1.00 0.00 C ATOM 0 H ALA A 16 5.744 0.954 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 16 7.080 3.337 -12.848 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.869 4.315 -13.374 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.201 2.868 -14.356 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.095 2.765 -12.965 1.00 0.00 H new ATOM 180 N ILE A 17 7.038 3.835 -10.383 1.00 0.00 N ATOM 181 CA ILE A 17 6.959 4.395 -9.039 1.00 0.00 C ATOM 182 C ILE A 17 7.682 5.735 -8.959 1.00 0.00 C ATOM 183 O ILE A 17 8.702 5.941 -9.618 1.00 0.00 O ATOM 184 CB ILE A 17 7.559 3.436 -7.993 1.00 0.00 C ATOM 185 CG1 ILE A 17 6.945 2.042 -8.136 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.336 3.978 -6.589 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.502 1.034 -7.156 1.00 0.00 C ATOM 0 H ILE A 17 7.985 3.765 -10.756 1.00 0.00 H new ATOM 0 HA ILE A 17 5.901 4.542 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 17 8.633 3.359 -8.165 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.866 2.113 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.114 1.682 -9.151 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.765 3.290 -5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.816 4.952 -6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.267 4.081 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.022 0.069 -7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.577 0.934 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.310 1.372 -6.138 1.00 0.00 H new ATOM 199 N ILE A 18 7.150 6.641 -8.146 1.00 0.00 N ATOM 200 CA ILE A 18 7.747 7.960 -7.977 1.00 0.00 C ATOM 201 C ILE A 18 8.324 8.126 -6.575 1.00 0.00 C ATOM 202 O ILE A 18 7.683 7.812 -5.572 1.00 0.00 O ATOM 203 CB ILE A 18 6.721 9.079 -8.234 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.110 8.930 -9.629 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.376 10.443 -8.080 1.00 0.00 C ATOM 206 CD1 ILE A 18 4.956 9.874 -9.888 1.00 0.00 C ATOM 0 H ILE A 18 6.307 6.486 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 18 8.550 8.040 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 18 5.922 8.996 -7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.885 9.103 -10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.765 7.904 -9.758 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.638 11.224 -8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.768 10.546 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.192 10.538 -8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.573 9.712 -10.895 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.163 9.687 -9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.300 10.904 -9.792 1.00 0.00 H new ATOM 218 N PRO A 19 9.563 8.635 -6.502 1.00 0.00 N ATOM 219 CA PRO A 19 10.253 8.858 -5.228 1.00 0.00 C ATOM 220 C PRO A 19 9.633 9.995 -4.424 1.00 0.00 C ATOM 221 O PRO A 19 9.834 11.175 -4.715 1.00 0.00 O ATOM 222 CB PRO A 19 11.678 9.219 -5.655 1.00 0.00 C ATOM 223 CG PRO A 19 11.532 9.775 -7.030 1.00 0.00 C ATOM 224 CD PRO A 19 10.385 9.032 -7.657 1.00 0.00 C ATOM 0 HA PRO A 19 10.197 7.986 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.121 9.949 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.327 8.343 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.333 10.846 -6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.447 9.638 -7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.827 9.663 -8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.729 8.166 -8.222 1.00 0.00 H new ATOM 232 N PRO A 20 8.861 9.637 -3.388 1.00 0.00 N ATOM 233 CA PRO A 20 8.196 10.614 -2.520 1.00 0.00 C ATOM 234 C PRO A 20 9.184 11.378 -1.646 1.00 0.00 C ATOM 235 O PRO A 20 10.355 11.016 -1.527 1.00 0.00 O ATOM 236 CB PRO A 20 7.274 9.751 -1.656 1.00 0.00 C ATOM 237 CG PRO A 20 7.916 8.406 -1.642 1.00 0.00 C ATOM 238 CD PRO A 20 8.577 8.249 -2.983 1.00 0.00 C ATOM 0 HA PRO A 20 7.672 11.379 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.182 10.156 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.268 9.705 -2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.646 8.330 -0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.177 7.622 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.489 7.656 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.923 7.748 -3.697 1.00 0.00 H new ATOM 246 N PRO A 21 8.704 12.461 -1.017 1.00 0.00 N ATOM 247 CA PRO A 21 9.529 13.299 -0.141 1.00 0.00 C ATOM 248 C PRO A 21 9.901 12.590 1.157 1.00 0.00 C ATOM 249 O PRO A 21 9.325 11.565 1.519 1.00 0.00 O ATOM 250 CB PRO A 21 8.630 14.504 0.147 1.00 0.00 C ATOM 251 CG PRO A 21 7.242 13.992 -0.030 1.00 0.00 C ATOM 252 CD PRO A 21 7.319 12.952 -1.112 1.00 0.00 C ATOM 0 HA PRO A 21 10.480 13.561 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.787 14.882 1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.839 15.326 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.863 13.563 0.898 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.562 14.797 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.597 12.151 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.110 13.377 -2.094 1.00 0.00 H new ATOM 260 N PRO A 22 10.888 13.148 1.874 1.00 0.00 N ATOM 261 CA PRO A 22 11.358 12.585 3.144 1.00 0.00 C ATOM 262 C PRO A 22 10.330 12.734 4.260 1.00 0.00 C ATOM 263 O PRO A 22 10.457 12.120 5.319 1.00 0.00 O ATOM 264 CB PRO A 22 12.609 13.411 3.456 1.00 0.00 C ATOM 265 CG PRO A 22 12.396 14.703 2.746 1.00 0.00 C ATOM 266 CD PRO A 22 11.620 14.370 1.502 1.00 0.00 C ATOM 0 HA PRO A 22 11.545 11.514 3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.725 13.563 4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.512 12.911 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.847 15.406 3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.348 15.173 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.941 15.176 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.279 14.200 0.651 1.00 0.00 H new ATOM 274 N ASP A 23 9.312 13.551 4.015 1.00 0.00 N ATOM 275 CA ASP A 23 8.260 13.778 4.999 1.00 0.00 C ATOM 276 C ASP A 23 7.178 12.708 4.896 1.00 0.00 C ATOM 277 O ASP A 23 6.478 12.422 5.867 1.00 0.00 O ATOM 278 CB ASP A 23 7.643 15.165 4.807 1.00 0.00 C ATOM 279 CG ASP A 23 7.400 15.878 6.122 1.00 0.00 C ATOM 280 OD1 ASP A 23 8.338 16.532 6.626 1.00 0.00 O ATOM 281 OD2 ASP A 23 6.271 15.783 6.648 1.00 0.00 O ATOM 0 H ASP A 23 9.193 14.067 3.143 1.00 0.00 H new ATOM 0 HA ASP A 23 8.707 13.722 5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.303 15.770 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.700 15.068 4.270 1.00 0.00 H new ATOM 286 N VAL A 24 7.046 12.119 3.711 1.00 0.00 N ATOM 287 CA VAL A 24 6.050 11.080 3.481 1.00 0.00 C ATOM 288 C VAL A 24 6.703 9.707 3.370 1.00 0.00 C ATOM 289 O VAL A 24 6.058 8.683 3.593 1.00 0.00 O ATOM 290 CB VAL A 24 5.238 11.355 2.201 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.156 10.302 2.018 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.635 12.751 2.242 1.00 0.00 C ATOM 0 H VAL A 24 7.617 12.344 2.896 1.00 0.00 H new ATOM 0 HA VAL A 24 5.378 11.091 4.339 1.00 0.00 H new ATOM 0 HB VAL A 24 5.912 11.301 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.593 10.513 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.616 9.317 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.482 10.320 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.065 12.928 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.975 12.837 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.433 13.490 2.320 1.00 0.00 H new ATOM 302 N GLN A 25 7.986 9.695 3.026 1.00 0.00 N ATOM 303 CA GLN A 25 8.727 8.446 2.886 1.00 0.00 C ATOM 304 C GLN A 25 8.571 7.579 4.130 1.00 0.00 C ATOM 305 O GLN A 25 8.136 6.429 4.064 1.00 0.00 O ATOM 306 CB GLN A 25 10.208 8.733 2.632 1.00 0.00 C ATOM 307 CG GLN A 25 10.686 8.295 1.257 1.00 0.00 C ATOM 308 CD GLN A 25 12.173 8.514 1.058 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.952 8.462 2.010 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.574 8.761 -0.183 1.00 0.00 N ATOM 0 H GLN A 25 8.534 10.535 2.839 1.00 0.00 H new ATOM 0 HA GLN A 25 8.318 7.903 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.387 9.802 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.803 8.227 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.456 7.239 1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.136 8.845 0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.893 8.795 -0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.563 8.917 -0.378 1.00 0.00 H new ATOM 319 N PRO A 26 8.934 8.140 5.293 1.00 0.00 N ATOM 320 CA PRO A 26 8.843 7.434 6.575 1.00 0.00 C ATOM 321 C PRO A 26 7.400 7.219 7.017 1.00 0.00 C ATOM 322 O PRO A 26 7.127 6.418 7.911 1.00 0.00 O ATOM 323 CB PRO A 26 9.566 8.370 7.546 1.00 0.00 C ATOM 324 CG PRO A 26 9.442 9.723 6.934 1.00 0.00 C ATOM 325 CD PRO A 26 9.461 9.506 5.446 1.00 0.00 C ATOM 0 HA PRO A 26 9.275 6.435 6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.111 8.341 8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.611 8.085 7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.518 10.209 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.263 10.369 7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.841 10.236 4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.468 9.596 5.040 1.00 0.00 H new ATOM 333 N VAL A 27 6.479 7.938 6.384 1.00 0.00 N ATOM 334 CA VAL A 27 5.062 7.824 6.711 1.00 0.00 C ATOM 335 C VAL A 27 4.428 6.633 6.002 1.00 0.00 C ATOM 336 O VAL A 27 3.426 6.085 6.462 1.00 0.00 O ATOM 337 CB VAL A 27 4.294 9.103 6.330 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.814 8.952 6.647 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.880 10.311 7.046 1.00 0.00 C ATOM 0 H VAL A 27 6.688 8.606 5.642 1.00 0.00 H new ATOM 0 HA VAL A 27 4.997 7.677 7.789 1.00 0.00 H new ATOM 0 HB VAL A 27 4.397 9.261 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.288 9.866 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.405 8.113 6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.687 8.769 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.325 11.206 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.810 10.164 8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.926 10.429 6.763 1.00 0.00 H new ATOM 349 N ILE A 28 5.019 6.237 4.880 1.00 0.00 N ATOM 350 CA ILE A 28 4.513 5.109 4.108 1.00 0.00 C ATOM 351 C ILE A 28 5.152 3.801 4.562 1.00 0.00 C ATOM 352 O ILE A 28 4.463 2.805 4.783 1.00 0.00 O ATOM 353 CB ILE A 28 4.771 5.297 2.601 1.00 0.00 C ATOM 354 CG1 ILE A 28 4.112 6.586 2.106 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.253 4.098 1.821 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.582 7.017 0.734 1.00 0.00 C ATOM 0 H ILE A 28 5.848 6.680 4.485 1.00 0.00 H new ATOM 0 HA ILE A 28 3.438 5.065 4.282 1.00 0.00 H new ATOM 0 HB ILE A 28 5.846 5.375 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.031 6.446 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.316 7.385 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.443 4.246 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.764 3.196 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.181 3.992 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.073 7.937 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.658 7.189 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.354 6.236 0.009 1.00 0.00 H new ATOM 368 N ASP A 29 6.473 3.811 4.700 1.00 0.00 N ATOM 369 CA ASP A 29 7.206 2.626 5.131 1.00 0.00 C ATOM 370 C ASP A 29 6.699 2.135 6.483 1.00 0.00 C ATOM 371 O ASP A 29 6.560 0.932 6.707 1.00 0.00 O ATOM 372 CB ASP A 29 8.703 2.929 5.214 1.00 0.00 C ATOM 373 CG ASP A 29 9.495 1.777 5.802 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.474 1.614 7.040 1.00 0.00 O ATOM 375 OD2 ASP A 29 10.134 1.039 5.024 1.00 0.00 O ATOM 0 H ASP A 29 7.058 4.627 4.520 1.00 0.00 H new ATOM 0 HA ASP A 29 7.042 1.840 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.081 3.154 4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.857 3.820 5.822 1.00 0.00 H new ATOM 380 N LYS A 30 6.423 3.074 7.382 1.00 0.00 N ATOM 381 CA LYS A 30 5.930 2.738 8.713 1.00 0.00 C ATOM 382 C LYS A 30 4.666 1.889 8.627 1.00 0.00 C ATOM 383 O LYS A 30 4.461 0.980 9.432 1.00 0.00 O ATOM 384 CB LYS A 30 5.648 4.013 9.511 1.00 0.00 C ATOM 385 CG LYS A 30 5.429 3.766 10.994 1.00 0.00 C ATOM 386 CD LYS A 30 5.580 5.045 11.801 1.00 0.00 C ATOM 387 CE LYS A 30 4.397 5.259 12.733 1.00 0.00 C ATOM 388 NZ LYS A 30 4.537 6.509 13.529 1.00 0.00 N ATOM 0 H LYS A 30 6.532 4.074 7.213 1.00 0.00 H new ATOM 0 HA LYS A 30 6.700 2.160 9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.483 4.702 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.766 4.502 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.434 3.351 11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.144 3.024 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.500 5.002 12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.670 5.895 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.478 5.302 12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.307 4.407 13.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.711 6.619 14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.401 6.458 14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.597 7.325 12.887 1.00 0.00 H new ATOM 402 N LEU A 31 3.822 2.191 7.646 1.00 0.00 N ATOM 403 CA LEU A 31 2.578 1.454 7.454 1.00 0.00 C ATOM 404 C LEU A 31 2.837 0.118 6.764 1.00 0.00 C ATOM 405 O LEU A 31 2.175 -0.878 7.052 1.00 0.00 O ATOM 406 CB LEU A 31 1.593 2.284 6.629 1.00 0.00 C ATOM 407 CG LEU A 31 0.112 2.086 6.954 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.183 2.515 8.383 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.757 2.859 5.973 1.00 0.00 C ATOM 0 H LEU A 31 3.977 2.941 6.972 1.00 0.00 H new ATOM 0 HA LEU A 31 2.146 1.257 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.836 3.338 6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.747 2.052 5.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.123 1.026 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.242 2.367 8.596 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.413 1.917 9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.068 3.569 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.808 2.707 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.520 3.921 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.567 2.504 4.960 1.00 0.00 H new ATOM 421 N ALA A 32 3.806 0.106 5.855 1.00 0.00 N ATOM 422 CA ALA A 32 4.155 -1.108 5.127 1.00 0.00 C ATOM 423 C ALA A 32 4.649 -2.194 6.077 1.00 0.00 C ATOM 424 O ALA A 32 4.495 -3.384 5.806 1.00 0.00 O ATOM 425 CB ALA A 32 5.210 -0.806 4.073 1.00 0.00 C ATOM 0 H ALA A 32 4.363 0.923 5.605 1.00 0.00 H new ATOM 0 HA ALA A 32 3.257 -1.476 4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.461 -1.721 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.822 -0.069 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.104 -0.411 4.556 1.00 0.00 H new ATOM 431 N GLU A 33 5.244 -1.775 7.190 1.00 0.00 N ATOM 432 CA GLU A 33 5.761 -2.714 8.178 1.00 0.00 C ATOM 433 C GLU A 33 4.650 -3.192 9.108 1.00 0.00 C ATOM 434 O GLU A 33 4.693 -4.311 9.620 1.00 0.00 O ATOM 435 CB GLU A 33 6.880 -2.064 8.994 1.00 0.00 C ATOM 436 CG GLU A 33 7.577 -3.024 9.944 1.00 0.00 C ATOM 437 CD GLU A 33 7.293 -2.712 11.401 1.00 0.00 C ATOM 438 OE1 GLU A 33 7.895 -1.757 11.932 1.00 0.00 O ATOM 439 OE2 GLU A 33 6.467 -3.425 12.009 1.00 0.00 O ATOM 0 H GLU A 33 5.380 -0.793 7.429 1.00 0.00 H new ATOM 0 HA GLU A 33 6.162 -3.577 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.618 -1.642 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.465 -1.235 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.256 -4.043 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.652 -2.984 9.771 1.00 0.00 H new ATOM 446 N TYR A 34 3.657 -2.337 9.322 1.00 0.00 N ATOM 447 CA TYR A 34 2.536 -2.669 10.193 1.00 0.00 C ATOM 448 C TYR A 34 1.546 -3.585 9.480 1.00 0.00 C ATOM 449 O TYR A 34 1.069 -4.567 10.049 1.00 0.00 O ATOM 450 CB TYR A 34 1.827 -1.396 10.656 1.00 0.00 C ATOM 451 CG TYR A 34 1.194 -1.518 12.024 1.00 0.00 C ATOM 452 CD1 TYR A 34 1.952 -1.366 13.178 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.162 -1.788 12.161 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.378 -1.478 14.430 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.745 -1.900 13.409 1.00 0.00 C ATOM 456 CZ TYR A 34 0.029 -1.744 14.540 1.00 0.00 C ATOM 457 OH TYR A 34 -0.548 -1.857 15.784 1.00 0.00 O ATOM 0 H TYR A 34 3.605 -1.408 8.904 1.00 0.00 H new ATOM 0 HA TYR A 34 2.929 -3.194 11.064 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.544 -0.575 10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.057 -1.135 9.930 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.008 -1.157 13.095 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.771 -1.912 11.278 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.982 -1.358 15.317 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.801 -2.109 13.498 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.505 -2.045 15.685 1.00 0.00 H new ATOM 467 N VAL A 35 1.240 -3.256 8.229 1.00 0.00 N ATOM 468 CA VAL A 35 0.308 -4.048 7.435 1.00 0.00 C ATOM 469 C VAL A 35 0.899 -5.412 7.094 1.00 0.00 C ATOM 470 O VAL A 35 0.171 -6.391 6.930 1.00 0.00 O ATOM 471 CB VAL A 35 -0.073 -3.325 6.130 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.029 -4.176 5.308 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.683 -1.965 6.434 1.00 0.00 C ATOM 0 H VAL A 35 1.624 -2.446 7.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.588 -4.184 8.041 1.00 0.00 H new ATOM 0 HB VAL A 35 0.832 -3.169 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.287 -3.649 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.551 -5.124 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.935 -4.366 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.946 -1.468 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.579 -2.096 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.039 -1.356 6.978 1.00 0.00 H new ATOM 483 N ALA A 36 2.222 -5.468 6.989 1.00 0.00 N ATOM 484 CA ALA A 36 2.911 -6.713 6.670 1.00 0.00 C ATOM 485 C ALA A 36 2.900 -7.666 7.860 1.00 0.00 C ATOM 486 O ALA A 36 2.970 -8.884 7.692 1.00 0.00 O ATOM 487 CB ALA A 36 4.340 -6.428 6.233 1.00 0.00 C ATOM 0 H ALA A 36 2.839 -4.666 7.120 1.00 0.00 H new ATOM 0 HA ALA A 36 2.380 -7.193 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.843 -7.366 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.330 -5.790 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.873 -5.923 7.039 1.00 0.00 H new ATOM 493 N ARG A 37 2.813 -7.106 9.062 1.00 0.00 N ATOM 494 CA ARG A 37 2.795 -7.907 10.279 1.00 0.00 C ATOM 495 C ARG A 37 1.365 -8.267 10.672 1.00 0.00 C ATOM 496 O ARG A 37 1.060 -9.427 10.947 1.00 0.00 O ATOM 497 CB ARG A 37 3.474 -7.151 11.423 1.00 0.00 C ATOM 498 CG ARG A 37 4.827 -7.723 11.812 1.00 0.00 C ATOM 499 CD ARG A 37 4.708 -9.164 12.285 1.00 0.00 C ATOM 500 NE ARG A 37 5.644 -9.465 13.364 1.00 0.00 N ATOM 501 CZ ARG A 37 5.511 -10.503 14.183 1.00 0.00 C ATOM 502 NH1 ARG A 37 4.488 -11.334 14.045 1.00 0.00 N ATOM 503 NH2 ARG A 37 6.405 -10.711 15.142 1.00 0.00 N ATOM 0 H ARG A 37 2.754 -6.100 9.219 1.00 0.00 H new ATOM 0 HA ARG A 37 3.344 -8.829 10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.600 -6.108 11.134 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.819 -7.164 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.503 -7.674 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.267 -7.115 12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.690 -9.351 12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.892 -9.837 11.447 1.00 0.00 H new ATOM 0 HE ARG A 37 6.443 -8.845 13.496 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.800 -11.178 13.308 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.389 -12.130 14.675 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.194 -10.074 15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.303 -11.508 15.771 1.00 0.00 H new ATOM 517 N ASN A 38 0.493 -7.265 10.697 1.00 0.00 N ATOM 518 CA ASN A 38 -0.904 -7.475 11.057 1.00 0.00 C ATOM 519 C ASN A 38 -1.647 -8.214 9.947 1.00 0.00 C ATOM 520 O ASN A 38 -2.251 -9.260 10.179 1.00 0.00 O ATOM 521 CB ASN A 38 -1.588 -6.136 11.340 1.00 0.00 C ATOM 522 CG ASN A 38 -1.176 -5.548 12.676 1.00 0.00 C ATOM 523 OD1 ASN A 38 -1.890 -5.679 13.670 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.020 -4.895 12.704 1.00 0.00 N ATOM 0 H ASN A 38 0.729 -6.299 10.472 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.932 -8.087 11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.344 -5.431 10.545 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.669 -6.273 11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.309 -4.477 13.574 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.539 -4.811 11.855 1.00 0.00 H new ATOM 531 N GLY A 39 -1.596 -7.660 8.739 1.00 0.00 N ATOM 532 CA GLY A 39 -2.267 -8.279 7.611 1.00 0.00 C ATOM 533 C GLY A 39 -2.918 -7.262 6.694 1.00 0.00 C ATOM 534 O GLY A 39 -3.192 -6.133 7.103 1.00 0.00 O ATOM 0 H GLY A 39 -1.102 -6.794 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.547 -8.868 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.025 -8.970 7.978 1.00 0.00 H new ATOM 538 N LEU A 40 -3.166 -7.662 5.452 1.00 0.00 N ATOM 539 CA LEU A 40 -3.787 -6.776 4.473 1.00 0.00 C ATOM 540 C LEU A 40 -5.112 -6.231 4.996 1.00 0.00 C ATOM 541 O LEU A 40 -5.533 -5.134 4.629 1.00 0.00 O ATOM 542 CB LEU A 40 -4.013 -7.519 3.155 1.00 0.00 C ATOM 543 CG LEU A 40 -3.396 -6.879 1.910 1.00 0.00 C ATOM 544 CD1 LEU A 40 -2.916 -7.949 0.942 1.00 0.00 C ATOM 545 CD2 LEU A 40 -4.399 -5.956 1.233 1.00 0.00 C ATOM 0 H LEU A 40 -2.947 -8.593 5.099 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.113 -5.937 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.613 -8.528 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.087 -7.616 2.995 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.536 -6.285 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.480 -7.475 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.164 -8.570 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.759 -8.570 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.943 -5.509 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.279 -6.528 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.694 -5.169 1.926 1.00 0.00 H new ATOM 557 N LYS A 41 -5.765 -7.004 5.857 1.00 0.00 N ATOM 558 CA LYS A 41 -7.041 -6.599 6.435 1.00 0.00 C ATOM 559 C LYS A 41 -6.935 -5.217 7.073 1.00 0.00 C ATOM 560 O LYS A 41 -7.914 -4.473 7.132 1.00 0.00 O ATOM 561 CB LYS A 41 -7.500 -7.620 7.478 1.00 0.00 C ATOM 562 CG LYS A 41 -8.016 -8.915 6.875 1.00 0.00 C ATOM 563 CD LYS A 41 -8.269 -9.966 7.944 1.00 0.00 C ATOM 564 CE LYS A 41 -6.983 -10.672 8.346 1.00 0.00 C ATOM 565 NZ LYS A 41 -6.752 -11.903 7.540 1.00 0.00 N ATOM 0 H LYS A 41 -5.431 -7.915 6.170 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.777 -6.554 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.667 -7.846 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.286 -7.175 8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.939 -8.721 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.293 -9.295 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.716 -9.496 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.987 -10.698 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.141 -9.992 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.027 -10.933 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.866 -12.356 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.544 -12.563 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.685 -11.651 6.533 1.00 0.00 H new ATOM 579 N PHE A 42 -5.741 -4.880 7.549 1.00 0.00 N ATOM 580 CA PHE A 42 -5.508 -3.587 8.182 1.00 0.00 C ATOM 581 C PHE A 42 -5.627 -2.455 7.166 1.00 0.00 C ATOM 582 O PHE A 42 -6.221 -1.415 7.449 1.00 0.00 O ATOM 583 CB PHE A 42 -4.124 -3.558 8.835 1.00 0.00 C ATOM 584 CG PHE A 42 -3.901 -2.361 9.714 1.00 0.00 C ATOM 585 CD1 PHE A 42 -3.384 -1.187 9.191 1.00 0.00 C ATOM 586 CD2 PHE A 42 -4.210 -2.410 11.064 1.00 0.00 C ATOM 587 CE1 PHE A 42 -3.178 -0.085 9.998 1.00 0.00 C ATOM 588 CE2 PHE A 42 -4.006 -1.310 11.876 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.490 -0.146 11.343 1.00 0.00 C ATOM 0 H PHE A 42 -4.920 -5.484 7.508 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.268 -3.444 8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.991 -4.463 9.427 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.363 -3.573 8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.139 -1.133 8.140 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.615 -3.318 11.486 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.773 0.824 9.578 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.250 -1.361 12.927 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.330 0.715 11.975 1.00 0.00 H new ATOM 599 N GLU A 43 -5.058 -2.666 5.984 1.00 0.00 N ATOM 600 CA GLU A 43 -5.100 -1.662 4.927 1.00 0.00 C ATOM 601 C GLU A 43 -6.539 -1.277 4.599 1.00 0.00 C ATOM 602 O GLU A 43 -6.817 -0.144 4.205 1.00 0.00 O ATOM 603 CB GLU A 43 -4.400 -2.183 3.670 1.00 0.00 C ATOM 604 CG GLU A 43 -3.797 -1.086 2.809 1.00 0.00 C ATOM 605 CD GLU A 43 -3.520 -1.543 1.390 1.00 0.00 C ATOM 606 OE1 GLU A 43 -2.644 -2.413 1.207 1.00 0.00 O ATOM 607 OE2 GLU A 43 -4.181 -1.030 0.463 1.00 0.00 O ATOM 0 H GLU A 43 -4.563 -3.522 5.734 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.577 -0.774 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.612 -2.876 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.116 -2.749 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.476 -0.233 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.868 -0.742 3.264 1.00 0.00 H new ATOM 614 N THR A 44 -7.452 -2.229 4.763 1.00 0.00 N ATOM 615 CA THR A 44 -8.863 -1.992 4.483 1.00 0.00 C ATOM 616 C THR A 44 -9.490 -1.094 5.542 1.00 0.00 C ATOM 617 O THR A 44 -10.480 -0.410 5.283 1.00 0.00 O ATOM 618 CB THR A 44 -9.652 -3.314 4.413 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.037 -4.202 3.474 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.096 -3.061 4.009 1.00 0.00 C ATOM 0 H THR A 44 -7.239 -3.172 5.089 1.00 0.00 H new ATOM 0 HA THR A 44 -8.914 -1.496 3.514 1.00 0.00 H new ATOM 0 HB THR A 44 -9.643 -3.770 5.403 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.543 -5.040 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.633 -4.008 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.570 -2.408 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.122 -2.585 3.029 1.00 0.00 H new ATOM 628 N SER A 45 -8.908 -1.100 6.737 1.00 0.00 N ATOM 629 CA SER A 45 -9.412 -0.287 7.838 1.00 0.00 C ATOM 630 C SER A 45 -9.019 1.176 7.658 1.00 0.00 C ATOM 631 O SER A 45 -9.861 2.071 7.729 1.00 0.00 O ATOM 632 CB SER A 45 -8.878 -0.810 9.173 1.00 0.00 C ATOM 633 OG SER A 45 -9.648 -1.906 9.636 1.00 0.00 O ATOM 0 H SER A 45 -8.087 -1.659 6.968 1.00 0.00 H new ATOM 0 HA SER A 45 -10.500 -0.355 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.838 -1.115 9.058 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.896 -0.010 9.914 1.00 0.00 H new ATOM 0 HG SER A 45 -9.286 -2.223 10.490 1.00 0.00 H new ATOM 639 N VAL A 46 -7.732 1.411 7.424 1.00 0.00 N ATOM 640 CA VAL A 46 -7.225 2.765 7.232 1.00 0.00 C ATOM 641 C VAL A 46 -7.896 3.440 6.041 1.00 0.00 C ATOM 642 O VAL A 46 -8.189 4.635 6.076 1.00 0.00 O ATOM 643 CB VAL A 46 -5.700 2.768 7.017 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.323 1.868 5.850 1.00 0.00 C ATOM 645 CG2 VAL A 46 -5.197 4.186 6.792 1.00 0.00 C ATOM 0 H VAL A 46 -7.021 0.682 7.363 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.458 3.321 8.140 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.223 2.376 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.242 1.883 5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.649 0.849 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.808 2.227 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.118 4.170 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.680 4.608 5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.433 4.798 7.662 1.00 0.00 H new ATOM 655 N ARG A 47 -8.137 2.666 4.988 1.00 0.00 N ATOM 656 CA ARG A 47 -8.774 3.189 3.785 1.00 0.00 C ATOM 657 C ARG A 47 -10.169 3.723 4.097 1.00 0.00 C ATOM 658 O ARG A 47 -10.656 4.638 3.434 1.00 0.00 O ATOM 659 CB ARG A 47 -8.861 2.100 2.714 1.00 0.00 C ATOM 660 CG ARG A 47 -8.648 2.618 1.301 1.00 0.00 C ATOM 661 CD ARG A 47 -8.507 1.477 0.305 1.00 0.00 C ATOM 662 NE ARG A 47 -7.528 1.777 -0.736 1.00 0.00 N ATOM 663 CZ ARG A 47 -7.243 0.952 -1.737 1.00 0.00 C ATOM 664 NH1 ARG A 47 -7.861 -0.218 -1.832 1.00 0.00 N ATOM 665 NH2 ARG A 47 -6.339 1.295 -2.645 1.00 0.00 N ATOM 0 H ARG A 47 -7.901 1.675 4.943 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.165 4.011 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.117 1.333 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.838 1.621 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.487 3.251 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.754 3.241 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.209 0.571 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.475 1.275 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.036 2.669 -0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.557 -0.485 -1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.641 -0.850 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.861 2.194 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.121 0.660 -3.413 1.00 0.00 H new ATOM 679 N ALA A 48 -10.806 3.145 5.110 1.00 0.00 N ATOM 680 CA ALA A 48 -12.144 3.563 5.510 1.00 0.00 C ATOM 681 C ALA A 48 -12.098 4.869 6.296 1.00 0.00 C ATOM 682 O ALA A 48 -13.077 5.614 6.341 1.00 0.00 O ATOM 683 CB ALA A 48 -12.814 2.473 6.332 1.00 0.00 C ATOM 0 H ALA A 48 -10.417 2.386 5.669 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.730 3.733 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.812 2.799 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.889 1.563 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.222 2.275 7.225 1.00 0.00 H new ATOM 689 N LYS A 49 -10.954 5.141 6.915 1.00 0.00 N ATOM 690 CA LYS A 49 -10.779 6.358 7.700 1.00 0.00 C ATOM 691 C LYS A 49 -10.835 7.594 6.808 1.00 0.00 C ATOM 692 O LYS A 49 -11.291 8.655 7.230 1.00 0.00 O ATOM 693 CB LYS A 49 -9.447 6.318 8.451 1.00 0.00 C ATOM 694 CG LYS A 49 -9.347 5.181 9.454 1.00 0.00 C ATOM 695 CD LYS A 49 -10.484 5.226 10.461 1.00 0.00 C ATOM 696 CE LYS A 49 -9.965 5.178 11.890 1.00 0.00 C ATOM 697 NZ LYS A 49 -11.066 5.305 12.885 1.00 0.00 N ATOM 0 H LYS A 49 -10.134 4.535 6.888 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.594 6.415 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.635 6.227 7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.305 7.265 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.364 4.227 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.393 5.239 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.066 6.136 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.157 4.386 10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.435 4.239 12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.244 5.981 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.671 5.268 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.556 6.212 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.741 4.524 12.757 1.00 0.00 H new ATOM 711 N ASN A 50 -10.370 7.447 5.572 1.00 0.00 N ATOM 712 CA ASN A 50 -10.368 8.552 4.619 1.00 0.00 C ATOM 713 C ASN A 50 -9.702 9.786 5.220 1.00 0.00 C ATOM 714 O ASN A 50 -10.046 10.918 4.878 1.00 0.00 O ATOM 715 CB ASN A 50 -11.798 8.887 4.193 1.00 0.00 C ATOM 716 CG ASN A 50 -11.857 9.531 2.821 1.00 0.00 C ATOM 717 OD1 ASN A 50 -10.868 10.086 2.341 1.00 0.00 O ATOM 718 ND2 ASN A 50 -13.019 9.460 2.183 1.00 0.00 N ATOM 0 H ASN A 50 -9.990 6.574 5.206 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.798 8.243 3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.396 7.976 4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.245 9.559 4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.118 9.875 1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.812 8.990 2.619 1.00 0.00 H new ATOM 725 N ASP A 51 -8.747 9.560 6.115 1.00 0.00 N ATOM 726 CA ASP A 51 -8.031 10.653 6.762 1.00 0.00 C ATOM 727 C ASP A 51 -6.975 11.238 5.830 1.00 0.00 C ATOM 728 O ASP A 51 -6.315 10.509 5.091 1.00 0.00 O ATOM 729 CB ASP A 51 -7.376 10.167 8.056 1.00 0.00 C ATOM 730 CG ASP A 51 -7.645 11.093 9.225 1.00 0.00 C ATOM 731 OD1 ASP A 51 -7.588 12.325 9.031 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.912 10.586 10.335 1.00 0.00 O ATOM 0 H ASP A 51 -8.451 8.629 6.409 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.751 11.435 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.745 9.170 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.300 10.081 7.905 1.00 0.00 H new ATOM 737 N GLN A 52 -6.822 12.558 5.871 1.00 0.00 N ATOM 738 CA GLN A 52 -5.846 13.239 5.029 1.00 0.00 C ATOM 739 C GLN A 52 -4.450 12.663 5.236 1.00 0.00 C ATOM 740 O GLN A 52 -3.628 12.656 4.320 1.00 0.00 O ATOM 741 CB GLN A 52 -5.842 14.739 5.329 1.00 0.00 C ATOM 742 CG GLN A 52 -6.654 15.560 4.340 1.00 0.00 C ATOM 743 CD GLN A 52 -6.109 16.963 4.160 1.00 0.00 C ATOM 744 OE1 GLN A 52 -5.958 17.444 3.036 1.00 0.00 O ATOM 745 NE2 GLN A 52 -5.809 17.629 5.269 1.00 0.00 N ATOM 0 H GLN A 52 -7.361 13.176 6.478 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.131 13.084 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.236 14.901 6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.813 15.098 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.666 15.052 3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.687 15.617 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.950 17.192 6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.438 18.577 5.210 1.00 0.00 H new ATOM 754 N ARG A 53 -4.188 12.181 6.447 1.00 0.00 N ATOM 755 CA ARG A 53 -2.890 11.604 6.775 1.00 0.00 C ATOM 756 C ARG A 53 -2.675 10.290 6.031 1.00 0.00 C ATOM 757 O ARG A 53 -1.540 9.889 5.772 1.00 0.00 O ATOM 758 CB ARG A 53 -2.778 11.373 8.283 1.00 0.00 C ATOM 759 CG ARG A 53 -2.369 12.613 9.061 1.00 0.00 C ATOM 760 CD ARG A 53 -1.971 12.270 10.488 1.00 0.00 C ATOM 761 NE ARG A 53 -1.017 13.230 11.037 1.00 0.00 N ATOM 762 CZ ARG A 53 -1.333 14.482 11.351 1.00 0.00 C ATOM 763 NH1 ARG A 53 -2.571 14.922 11.173 1.00 0.00 N ATOM 764 NH2 ARG A 53 -0.409 15.296 11.846 1.00 0.00 N ATOM 0 H ARG A 53 -4.857 12.179 7.217 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.118 12.308 6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.737 11.018 8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.051 10.582 8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.535 13.101 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.195 13.325 9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.861 12.244 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.535 11.271 10.512 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.056 12.923 11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.284 14.299 10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.810 15.884 11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.544 14.961 11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.652 16.257 12.087 1.00 0.00 H new ATOM 778 N PHE A 54 -3.773 9.623 5.691 1.00 0.00 N ATOM 779 CA PHE A 54 -3.706 8.352 4.977 1.00 0.00 C ATOM 780 C PHE A 54 -4.374 8.460 3.610 1.00 0.00 C ATOM 781 O PHE A 54 -5.315 7.728 3.309 1.00 0.00 O ATOM 782 CB PHE A 54 -4.373 7.246 5.798 1.00 0.00 C ATOM 783 CG PHE A 54 -3.710 7.000 7.123 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.389 6.586 7.185 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.407 7.182 8.306 1.00 0.00 C ATOM 786 CE1 PHE A 54 -1.776 6.358 8.403 1.00 0.00 C ATOM 787 CE2 PHE A 54 -3.799 6.956 9.526 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.482 6.543 9.575 1.00 0.00 C ATOM 0 H PHE A 54 -4.720 9.941 5.898 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.655 8.102 4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.417 7.509 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.367 6.322 5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.832 6.440 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.437 7.504 8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.746 6.035 8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.354 7.102 10.441 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.006 6.365 10.528 1.00 0.00 H new ATOM 798 N GLU A 55 -3.879 9.380 2.787 1.00 0.00 N ATOM 799 CA GLU A 55 -4.429 9.584 1.452 1.00 0.00 C ATOM 800 C GLU A 55 -3.603 8.844 0.404 1.00 0.00 C ATOM 801 O GLU A 55 -4.122 8.429 -0.633 1.00 0.00 O ATOM 802 CB GLU A 55 -4.476 11.077 1.119 1.00 0.00 C ATOM 803 CG GLU A 55 -3.129 11.770 1.240 1.00 0.00 C ATOM 804 CD GLU A 55 -3.185 13.229 0.828 1.00 0.00 C ATOM 805 OE1 GLU A 55 -4.277 13.828 0.912 1.00 0.00 O ATOM 806 OE2 GLU A 55 -2.135 13.771 0.423 1.00 0.00 O ATOM 0 H GLU A 55 -3.099 9.995 3.021 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.443 9.184 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.850 11.202 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.188 11.567 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.780 11.700 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.399 11.249 0.620 1.00 0.00 H new ATOM 813 N PHE A 56 -2.313 8.683 0.681 1.00 0.00 N ATOM 814 CA PHE A 56 -1.414 7.995 -0.238 1.00 0.00 C ATOM 815 C PHE A 56 -1.914 6.584 -0.534 1.00 0.00 C ATOM 816 O PHE A 56 -1.620 6.017 -1.587 1.00 0.00 O ATOM 817 CB PHE A 56 -0.001 7.934 0.347 1.00 0.00 C ATOM 818 CG PHE A 56 0.038 7.456 1.771 1.00 0.00 C ATOM 819 CD1 PHE A 56 -0.022 6.103 2.063 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.135 8.359 2.817 1.00 0.00 C ATOM 821 CE1 PHE A 56 0.014 5.659 3.371 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.172 7.922 4.127 1.00 0.00 C ATOM 823 CZ PHE A 56 0.110 6.570 4.405 1.00 0.00 C ATOM 0 H PHE A 56 -1.867 9.020 1.534 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.390 8.557 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.610 7.272 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.449 8.925 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.098 5.387 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.182 9.417 2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.033 4.601 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.249 8.637 4.933 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.137 6.226 5.428 1.00 0.00 H new ATOM 833 N LEU A 57 -2.673 6.024 0.401 1.00 0.00 N ATOM 834 CA LEU A 57 -3.215 4.679 0.242 1.00 0.00 C ATOM 835 C LEU A 57 -4.289 4.649 -0.841 1.00 0.00 C ATOM 836 O LEU A 57 -4.535 3.612 -1.456 1.00 0.00 O ATOM 837 CB LEU A 57 -3.797 4.182 1.566 1.00 0.00 C ATOM 838 CG LEU A 57 -2.786 3.678 2.597 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.183 4.122 3.996 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.665 2.163 2.530 1.00 0.00 C ATOM 0 H LEU A 57 -2.927 6.480 1.277 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.401 4.020 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.370 4.993 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.499 3.376 1.351 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.813 4.110 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.452 3.754 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.216 5.211 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.166 3.720 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.941 1.823 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.635 1.711 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.332 1.868 1.535 1.00 0.00 H new ATOM 852 N GLN A 58 -4.923 5.795 -1.070 1.00 0.00 N ATOM 853 CA GLN A 58 -5.969 5.900 -2.080 1.00 0.00 C ATOM 854 C GLN A 58 -5.471 5.403 -3.433 1.00 0.00 C ATOM 855 O GLN A 58 -4.275 5.419 -3.727 1.00 0.00 O ATOM 856 CB GLN A 58 -6.448 7.348 -2.200 1.00 0.00 C ATOM 857 CG GLN A 58 -7.189 7.847 -0.971 1.00 0.00 C ATOM 858 CD GLN A 58 -8.409 7.008 -0.644 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.182 6.644 -1.531 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.587 6.695 0.634 1.00 0.00 N ATOM 0 H GLN A 58 -4.730 6.663 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.804 5.273 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.588 7.993 -2.382 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.101 7.435 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.512 7.844 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.496 8.881 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.921 7.018 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.390 6.131 0.914 1.00 0.00 H new ATOM 869 N PRO A 59 -6.408 4.949 -4.279 1.00 0.00 N ATOM 870 CA PRO A 59 -6.088 4.439 -5.615 1.00 0.00 C ATOM 871 C PRO A 59 -5.628 5.541 -6.562 1.00 0.00 C ATOM 872 O PRO A 59 -4.611 5.404 -7.242 1.00 0.00 O ATOM 873 CB PRO A 59 -7.414 3.842 -6.094 1.00 0.00 C ATOM 874 CG PRO A 59 -8.459 4.584 -5.335 1.00 0.00 C ATOM 875 CD PRO A 59 -7.852 4.900 -3.996 1.00 0.00 C ATOM 0 HA PRO A 59 -5.266 3.724 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.540 3.969 -7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.463 2.772 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.747 5.496 -5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.361 3.982 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.217 5.849 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.091 4.136 -3.256 1.00 0.00 H new ATOM 883 N TRP A 60 -6.382 6.634 -6.602 1.00 0.00 N ATOM 884 CA TRP A 60 -6.050 7.761 -7.466 1.00 0.00 C ATOM 885 C TRP A 60 -4.663 8.305 -7.142 1.00 0.00 C ATOM 886 O TRP A 60 -3.931 8.737 -8.033 1.00 0.00 O ATOM 887 CB TRP A 60 -7.094 8.869 -7.317 1.00 0.00 C ATOM 888 CG TRP A 60 -7.197 9.404 -5.921 1.00 0.00 C ATOM 889 CD1 TRP A 60 -8.044 8.973 -4.939 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.429 10.470 -5.352 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.848 9.707 -3.794 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.862 10.631 -4.021 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.417 11.302 -5.836 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.318 11.591 -3.173 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -4.877 12.255 -4.993 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.328 12.393 -3.674 1.00 0.00 C ATOM 0 H TRP A 60 -7.227 6.764 -6.046 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.049 7.409 -8.497 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.845 9.686 -7.994 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.067 8.485 -7.624 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.762 8.173 -5.047 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.354 9.584 -2.917 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.063 11.202 -6.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.664 11.699 -2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.094 12.904 -5.357 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.886 13.147 -3.040 1.00 0.00 H new ATOM 907 N HIS A 61 -4.307 8.281 -5.862 1.00 0.00 N ATOM 908 CA HIS A 61 -3.006 8.772 -5.421 1.00 0.00 C ATOM 909 C HIS A 61 -1.877 8.053 -6.154 1.00 0.00 C ATOM 910 O HIS A 61 -1.990 6.872 -6.479 1.00 0.00 O ATOM 911 CB HIS A 61 -2.851 8.584 -3.912 1.00 0.00 C ATOM 912 CG HIS A 61 -2.392 9.818 -3.198 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.151 10.385 -3.396 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.018 10.597 -2.284 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.032 11.457 -2.634 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.152 11.608 -1.950 1.00 0.00 N ATOM 0 H HIS A 61 -4.901 7.927 -5.112 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.948 9.835 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.806 8.267 -3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.139 7.780 -3.726 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.436 10.032 -4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.013 10.450 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.166 12.101 -2.579 1.00 0.00 H new ATOM 924 N GLN A 62 -0.791 8.775 -6.411 1.00 0.00 N ATOM 925 CA GLN A 62 0.357 8.205 -7.107 1.00 0.00 C ATOM 926 C GLN A 62 1.274 7.471 -6.134 1.00 0.00 C ATOM 927 O GLN A 62 1.857 6.441 -6.472 1.00 0.00 O ATOM 928 CB GLN A 62 1.137 9.303 -7.832 1.00 0.00 C ATOM 929 CG GLN A 62 1.595 10.428 -6.919 1.00 0.00 C ATOM 930 CD GLN A 62 2.431 11.465 -7.644 1.00 0.00 C ATOM 931 OE1 GLN A 62 3.513 11.837 -7.188 1.00 0.00 O ATOM 932 NE2 GLN A 62 1.932 11.938 -8.780 1.00 0.00 N ATOM 0 H GLN A 62 -0.682 9.754 -6.148 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.013 7.488 -7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.008 8.860 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.512 9.719 -8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.723 10.912 -6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.175 10.010 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.031 11.601 -9.121 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.449 12.638 -9.312 1.00 0.00 H new ATOM 941 N TYR A 63 1.398 8.009 -4.926 1.00 0.00 N ATOM 942 CA TYR A 63 2.247 7.407 -3.904 1.00 0.00 C ATOM 943 C TYR A 63 1.826 5.968 -3.625 1.00 0.00 C ATOM 944 O TYR A 63 2.633 5.146 -3.192 1.00 0.00 O ATOM 945 CB TYR A 63 2.188 8.227 -2.614 1.00 0.00 C ATOM 946 CG TYR A 63 2.797 9.605 -2.744 1.00 0.00 C ATOM 947 CD1 TYR A 63 4.003 9.793 -3.407 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.166 10.718 -2.203 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.564 11.050 -3.527 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.718 11.979 -2.320 1.00 0.00 C ATOM 951 CZ TYR A 63 3.917 12.140 -2.983 1.00 0.00 C ATOM 952 OH TYR A 63 4.471 13.394 -3.100 1.00 0.00 O ATOM 0 H TYR A 63 0.921 8.861 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 63 3.272 7.401 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.148 8.326 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.706 7.683 -1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.511 8.942 -3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.228 10.595 -1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.504 11.178 -4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.214 12.834 -1.895 1.00 0.00 H new ATOM 0 HH TYR A 63 3.889 14.051 -2.664 1.00 0.00 H new ATOM 962 N ASN A 64 0.555 5.670 -3.878 1.00 0.00 N ATOM 963 CA ASN A 64 0.025 4.330 -3.654 1.00 0.00 C ATOM 964 C ASN A 64 0.890 3.280 -4.345 1.00 0.00 C ATOM 965 O ASN A 64 1.006 2.149 -3.874 1.00 0.00 O ATOM 966 CB ASN A 64 -1.414 4.237 -4.165 1.00 0.00 C ATOM 967 CG ASN A 64 -2.013 2.858 -3.958 1.00 0.00 C ATOM 968 OD1 ASN A 64 -2.180 2.094 -4.909 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.338 2.535 -2.712 1.00 0.00 N ATOM 0 H ASN A 64 -0.126 6.338 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 64 0.037 4.136 -2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.028 4.977 -3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.437 4.485 -5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.744 1.621 -2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.181 3.201 -1.955 1.00 0.00 H new ATOM 976 N ALA A 65 1.497 3.664 -5.463 1.00 0.00 N ATOM 977 CA ALA A 65 2.354 2.758 -6.218 1.00 0.00 C ATOM 978 C ALA A 65 3.586 2.367 -5.409 1.00 0.00 C ATOM 979 O ALA A 65 4.026 1.218 -5.445 1.00 0.00 O ATOM 980 CB ALA A 65 2.766 3.396 -7.536 1.00 0.00 C ATOM 0 H ALA A 65 1.411 4.597 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 65 1.787 1.851 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.406 2.708 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.877 3.619 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.311 4.319 -7.339 1.00 0.00 H new ATOM 986 N TYR A 66 4.140 3.331 -4.681 1.00 0.00 N ATOM 987 CA TYR A 66 5.324 3.088 -3.866 1.00 0.00 C ATOM 988 C TYR A 66 4.991 2.196 -2.673 1.00 0.00 C ATOM 989 O TYR A 66 5.751 1.291 -2.329 1.00 0.00 O ATOM 990 CB TYR A 66 5.913 4.412 -3.378 1.00 0.00 C ATOM 991 CG TYR A 66 7.036 4.244 -2.379 1.00 0.00 C ATOM 992 CD1 TYR A 66 6.774 4.148 -1.018 1.00 0.00 C ATOM 993 CD2 TYR A 66 8.360 4.182 -2.797 1.00 0.00 C ATOM 994 CE1 TYR A 66 7.797 3.995 -0.102 1.00 0.00 C ATOM 995 CE2 TYR A 66 9.389 4.027 -1.889 1.00 0.00 C ATOM 996 CZ TYR A 66 9.102 3.935 -0.542 1.00 0.00 C ATOM 997 OH TYR A 66 10.125 3.782 0.366 1.00 0.00 O ATOM 0 H TYR A 66 3.788 4.287 -4.639 1.00 0.00 H new ATOM 0 HA TYR A 66 6.061 2.576 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.282 4.974 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.121 5.007 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.753 4.194 -0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.588 4.256 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.576 3.923 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.412 3.978 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 66 10.982 3.757 -0.108 1.00 0.00 H new ATOM 1007 N TYR A 67 3.849 2.459 -2.048 1.00 0.00 N ATOM 1008 CA TYR A 67 3.415 1.682 -0.892 1.00 0.00 C ATOM 1009 C TYR A 67 3.236 0.212 -1.260 1.00 0.00 C ATOM 1010 O TYR A 67 3.654 -0.678 -0.521 1.00 0.00 O ATOM 1011 CB TYR A 67 2.105 2.244 -0.338 1.00 0.00 C ATOM 1012 CG TYR A 67 1.493 1.391 0.751 1.00 0.00 C ATOM 1013 CD1 TYR A 67 2.145 1.205 1.963 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.264 0.771 0.567 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.591 0.426 2.961 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.299 -0.008 1.559 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.368 -0.178 2.754 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.188 -0.954 3.744 1.00 0.00 O ATOM 0 H TYR A 67 3.207 3.203 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 67 4.187 1.754 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.286 3.245 0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.389 2.346 -1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.102 1.678 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.261 0.900 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.112 0.291 3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.257 -0.481 1.400 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.752 -1.645 3.339 1.00 0.00 H new ATOM 1028 N GLU A 68 2.611 -0.032 -2.408 1.00 0.00 N ATOM 1029 CA GLU A 68 2.376 -1.393 -2.874 1.00 0.00 C ATOM 1030 C GLU A 68 3.684 -2.175 -2.953 1.00 0.00 C ATOM 1031 O GLU A 68 3.714 -3.383 -2.717 1.00 0.00 O ATOM 1032 CB GLU A 68 1.696 -1.377 -4.245 1.00 0.00 C ATOM 1033 CG GLU A 68 0.191 -1.579 -4.180 1.00 0.00 C ATOM 1034 CD GLU A 68 -0.341 -2.378 -5.353 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -0.003 -3.576 -5.459 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -1.097 -1.806 -6.166 1.00 0.00 O ATOM 0 H GLU A 68 2.259 0.695 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 68 1.720 -1.886 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.906 -0.426 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.133 -2.158 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.063 -2.090 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.302 -0.607 -4.154 1.00 0.00 H new ATOM 1043 N PHE A 69 4.765 -1.476 -3.288 1.00 0.00 N ATOM 1044 CA PHE A 69 6.076 -2.104 -3.400 1.00 0.00 C ATOM 1045 C PHE A 69 6.682 -2.348 -2.021 1.00 0.00 C ATOM 1046 O PHE A 69 7.116 -3.457 -1.708 1.00 0.00 O ATOM 1047 CB PHE A 69 7.014 -1.228 -4.233 1.00 0.00 C ATOM 1048 CG PHE A 69 8.401 -1.790 -4.363 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.352 -1.554 -3.383 1.00 0.00 C ATOM 1050 CD2 PHE A 69 8.754 -2.552 -5.465 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.629 -2.070 -3.499 1.00 0.00 C ATOM 1052 CE2 PHE A 69 10.029 -3.071 -5.586 1.00 0.00 C ATOM 1053 CZ PHE A 69 10.969 -2.828 -4.602 1.00 0.00 C ATOM 0 H PHE A 69 4.758 -0.475 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 69 5.949 -3.066 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.589 -1.098 -5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.072 -0.239 -3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.092 -0.960 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.024 -2.743 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.360 -1.880 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.291 -3.666 -6.449 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.967 -3.230 -4.696 1.00 0.00 H new ATOM 1063 N LYS A 70 6.708 -1.304 -1.199 1.00 0.00 N ATOM 1064 CA LYS A 70 7.259 -1.403 0.147 1.00 0.00 C ATOM 1065 C LYS A 70 6.539 -2.479 0.952 1.00 0.00 C ATOM 1066 O LYS A 70 7.129 -3.115 1.826 1.00 0.00 O ATOM 1067 CB LYS A 70 7.151 -0.056 0.865 1.00 0.00 C ATOM 1068 CG LYS A 70 8.208 0.150 1.936 1.00 0.00 C ATOM 1069 CD LYS A 70 9.585 0.356 1.327 1.00 0.00 C ATOM 1070 CE LYS A 70 10.685 -0.124 2.262 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.738 -0.886 1.534 1.00 0.00 N ATOM 0 H LYS A 70 6.353 -0.379 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 70 8.310 -1.680 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.230 0.745 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.164 0.025 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.946 1.014 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.228 -0.714 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.650 -0.181 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.731 1.413 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.137 0.733 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.252 -0.754 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.469 -1.196 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.312 -1.718 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.169 -0.277 0.810 1.00 0.00 H new ATOM 1085 N LYS A 71 5.260 -2.680 0.652 1.00 0.00 N ATOM 1086 CA LYS A 71 4.459 -3.681 1.346 1.00 0.00 C ATOM 1087 C LYS A 71 4.944 -5.089 1.017 1.00 0.00 C ATOM 1088 O LYS A 71 5.041 -5.943 1.897 1.00 0.00 O ATOM 1089 CB LYS A 71 2.983 -3.536 0.966 1.00 0.00 C ATOM 1090 CG LYS A 71 2.048 -4.359 1.834 1.00 0.00 C ATOM 1091 CD LYS A 71 0.633 -3.807 1.808 1.00 0.00 C ATOM 1092 CE LYS A 71 0.012 -3.930 0.425 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.244 -4.729 0.449 1.00 0.00 N ATOM 0 H LYS A 71 4.756 -2.162 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 71 4.569 -3.519 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.700 -2.486 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.854 -3.832 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.043 -5.392 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.417 -4.369 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.019 -4.342 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.644 -2.760 2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.198 -2.935 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.726 -4.397 -0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.535 -4.948 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.082 -5.615 0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.994 -4.183 0.920 1.00 0.00 H new ATOM 1107 N GLN A 72 5.248 -5.323 -0.256 1.00 0.00 N ATOM 1108 CA GLN A 72 5.723 -6.628 -0.700 1.00 0.00 C ATOM 1109 C GLN A 72 7.057 -6.973 -0.045 1.00 0.00 C ATOM 1110 O GLN A 72 7.366 -8.144 0.178 1.00 0.00 O ATOM 1111 CB GLN A 72 5.868 -6.650 -2.222 1.00 0.00 C ATOM 1112 CG GLN A 72 5.660 -8.027 -2.833 1.00 0.00 C ATOM 1113 CD GLN A 72 6.170 -8.116 -4.258 1.00 0.00 C ATOM 1114 OE1 GLN A 72 5.728 -7.375 -5.136 1.00 0.00 O ATOM 1115 NE2 GLN A 72 7.107 -9.027 -4.495 1.00 0.00 N ATOM 0 H GLN A 72 5.174 -4.626 -0.997 1.00 0.00 H new ATOM 0 HA GLN A 72 4.988 -7.376 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.149 -5.956 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.861 -6.289 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.169 -8.772 -2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.598 -8.272 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 72 7.445 -9.620 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.489 -9.133 -5.435 1.00 0.00 H new ATOM 1124 N PHE A 73 7.843 -5.947 0.261 1.00 0.00 N ATOM 1125 CA PHE A 73 9.145 -6.141 0.889 1.00 0.00 C ATOM 1126 C PHE A 73 8.991 -6.738 2.285 1.00 0.00 C ATOM 1127 O PHE A 73 9.500 -7.823 2.569 1.00 0.00 O ATOM 1128 CB PHE A 73 9.899 -4.813 0.970 1.00 0.00 C ATOM 1129 CG PHE A 73 11.304 -4.952 1.483 1.00 0.00 C ATOM 1130 CD1 PHE A 73 11.559 -4.992 2.844 1.00 0.00 C ATOM 1131 CD2 PHE A 73 12.371 -5.044 0.603 1.00 0.00 C ATOM 1132 CE1 PHE A 73 12.851 -5.119 3.318 1.00 0.00 C ATOM 1133 CE2 PHE A 73 13.665 -5.172 1.071 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.905 -5.210 2.430 1.00 0.00 C ATOM 0 H PHE A 73 7.601 -4.972 0.084 1.00 0.00 H new ATOM 0 HA PHE A 73 9.717 -6.838 0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.926 -4.358 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.349 -4.131 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.739 -4.923 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.189 -5.015 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.036 -5.147 4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.487 -5.242 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.915 -5.311 2.798 1.00 0.00 H new ATOM 1144 N PHE A 74 8.285 -6.021 3.154 1.00 0.00 N ATOM 1145 CA PHE A 74 8.065 -6.478 4.521 1.00 0.00 C ATOM 1146 C PHE A 74 7.323 -7.811 4.536 1.00 0.00 C ATOM 1147 O PHE A 74 7.503 -8.625 5.443 1.00 0.00 O ATOM 1148 CB PHE A 74 7.274 -5.432 5.309 1.00 0.00 C ATOM 1149 CG PHE A 74 8.088 -4.230 5.696 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.256 -4.374 6.428 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.686 -2.957 5.327 1.00 0.00 C ATOM 1152 CE1 PHE A 74 10.006 -3.270 6.785 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.432 -1.849 5.681 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.595 -2.006 6.410 1.00 0.00 C ATOM 0 H PHE A 74 7.856 -5.122 2.936 1.00 0.00 H new ATOM 0 HA PHE A 74 9.038 -6.619 4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.422 -5.107 4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.873 -5.895 6.211 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.584 -5.360 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.779 -2.829 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.913 -3.395 7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.106 -0.862 5.388 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.181 -1.142 6.686 1.00 0.00 H new ATOM 1164 N LEU A 75 6.488 -8.028 3.526 1.00 0.00 N ATOM 1165 CA LEU A 75 5.717 -9.262 3.423 1.00 0.00 C ATOM 1166 C LEU A 75 6.636 -10.463 3.222 1.00 0.00 C ATOM 1167 O LEU A 75 6.555 -11.447 3.956 1.00 0.00 O ATOM 1168 CB LEU A 75 4.721 -9.168 2.265 1.00 0.00 C ATOM 1169 CG LEU A 75 3.311 -8.701 2.629 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.541 -8.304 1.379 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.569 -9.788 3.392 1.00 0.00 C ATOM 0 H LEU A 75 6.328 -7.366 2.767 1.00 0.00 H new ATOM 0 HA LEU A 75 5.170 -9.399 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.127 -8.486 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.647 -10.149 1.795 1.00 0.00 H new ATOM 0 HG LEU A 75 3.394 -7.826 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.540 -7.974 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.063 -7.492 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.468 -9.161 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.568 -9.438 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.496 -10.682 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.111 -10.024 4.308 1.00 0.00 H new ATOM 1183 N GLN A 76 7.510 -10.372 2.225 1.00 0.00 N ATOM 1184 CA GLN A 76 8.446 -11.451 1.930 1.00 0.00 C ATOM 1185 C GLN A 76 9.313 -11.767 3.143 1.00 0.00 C ATOM 1186 O GLN A 76 9.618 -12.928 3.417 1.00 0.00 O ATOM 1187 CB GLN A 76 9.330 -11.076 0.739 1.00 0.00 C ATOM 1188 CG GLN A 76 8.689 -11.362 -0.609 1.00 0.00 C ATOM 1189 CD GLN A 76 9.457 -12.392 -1.413 1.00 0.00 C ATOM 1190 OE1 GLN A 76 9.578 -13.549 -1.009 1.00 0.00 O ATOM 1191 NE2 GLN A 76 9.981 -11.977 -2.561 1.00 0.00 N ATOM 0 H GLN A 76 7.590 -9.563 1.608 1.00 0.00 H new ATOM 0 HA GLN A 76 7.868 -12.341 1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.574 -10.015 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.270 -11.624 0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.669 -11.714 -0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.624 -10.436 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.857 -11.009 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.508 -12.626 -3.145 1.00 0.00 H new ATOM 1200 N LYS A 77 9.709 -10.726 3.868 1.00 0.00 N ATOM 1201 CA LYS A 77 10.541 -10.891 5.054 1.00 0.00 C ATOM 1202 C LYS A 77 9.693 -11.258 6.268 1.00 0.00 C ATOM 1203 O LYS A 77 9.565 -10.472 7.206 1.00 0.00 O ATOM 1204 CB LYS A 77 11.324 -9.607 5.336 1.00 0.00 C ATOM 1205 CG LYS A 77 12.619 -9.838 6.096 1.00 0.00 C ATOM 1206 CD LYS A 77 13.804 -9.208 5.384 1.00 0.00 C ATOM 1207 CE LYS A 77 14.209 -10.012 4.157 1.00 0.00 C ATOM 1208 NZ LYS A 77 13.823 -9.326 2.893 1.00 0.00 N ATOM 0 H LYS A 77 9.467 -9.758 3.655 1.00 0.00 H new ATOM 0 HA LYS A 77 11.243 -11.703 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.551 -9.115 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.694 -8.925 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.532 -9.421 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.789 -10.909 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.552 -8.190 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.648 -9.140 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.287 -10.174 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.739 -10.995 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.389 -9.703 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.814 -9.490 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.996 -8.305 2.985 1.00 0.00 H new ATOM 1222 N GLU A 78 9.117 -12.455 6.242 1.00 0.00 N ATOM 1223 CA GLU A 78 8.282 -12.925 7.341 1.00 0.00 C ATOM 1224 C GLU A 78 9.098 -13.066 8.622 1.00 0.00 C ATOM 1225 O GLU A 78 8.561 -12.974 9.726 1.00 0.00 O ATOM 1226 CB GLU A 78 7.636 -14.266 6.984 1.00 0.00 C ATOM 1227 CG GLU A 78 6.678 -14.782 8.044 1.00 0.00 C ATOM 1228 CD GLU A 78 5.708 -15.813 7.502 1.00 0.00 C ATOM 1229 OE1 GLU A 78 6.106 -16.587 6.605 1.00 0.00 O ATOM 1230 OE2 GLU A 78 4.552 -15.846 7.972 1.00 0.00 O ATOM 0 H GLU A 78 9.213 -13.117 5.472 1.00 0.00 H new ATOM 0 HA GLU A 78 7.498 -12.186 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.099 -14.161 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.420 -15.006 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.249 -15.221 8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.117 -13.945 8.460 1.00 0.00 H new ATOM 1237 N GLY A 79 10.399 -13.291 8.467 1.00 0.00 N ATOM 1238 CA GLY A 79 11.268 -13.442 9.619 1.00 0.00 C ATOM 1239 C GLY A 79 11.687 -12.109 10.208 1.00 0.00 C ATOM 1240 O GLY A 79 11.097 -11.074 9.901 1.00 0.00 O ATOM 0 H GLY A 79 10.867 -13.371 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.756 -14.028 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.156 -14.003 9.329 1.00 0.00 H new ATOM 1244 N GLY A 80 12.707 -12.135 11.061 1.00 0.00 N ATOM 1245 CA GLY A 80 13.185 -10.914 11.682 1.00 0.00 C ATOM 1246 C GLY A 80 14.540 -11.089 12.339 1.00 0.00 C ATOM 1247 O GLY A 80 14.763 -12.055 13.070 1.00 0.00 O ATOM 0 H GLY A 80 13.210 -12.980 11.333 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.248 -10.128 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.463 -10.583 12.428 1.00 0.00 H new ATOM 1251 N ASP A 81 15.447 -10.155 12.078 1.00 0.00 N ATOM 1252 CA ASP A 81 16.788 -10.211 12.649 1.00 0.00 C ATOM 1253 C ASP A 81 17.056 -8.993 13.529 1.00 0.00 C ATOM 1254 O ASP A 81 17.623 -9.112 14.614 1.00 0.00 O ATOM 1255 CB ASP A 81 17.835 -10.293 11.538 1.00 0.00 C ATOM 1256 CG ASP A 81 19.137 -10.908 12.013 1.00 0.00 C ATOM 1257 OD1 ASP A 81 19.874 -10.234 12.762 1.00 0.00 O ATOM 1258 OD2 ASP A 81 19.418 -12.065 11.636 1.00 0.00 O ATOM 0 H ASP A 81 15.279 -9.350 11.475 1.00 0.00 H new ATOM 0 HA ASP A 81 16.855 -11.106 13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.438 -10.883 10.712 1.00 0.00 H new ATOM 0 HB3 ASP A 81 18.029 -9.293 11.151 1.00 0.00 H new ATOM 1263 N SER A 82 16.643 -7.823 13.052 1.00 0.00 N ATOM 1264 CA SER A 82 16.843 -6.583 13.792 1.00 0.00 C ATOM 1265 C SER A 82 16.093 -6.616 15.120 1.00 0.00 C ATOM 1266 O SER A 82 14.866 -6.704 15.150 1.00 0.00 O ATOM 1267 CB SER A 82 16.377 -5.387 12.960 1.00 0.00 C ATOM 1268 OG SER A 82 17.200 -4.256 13.187 1.00 0.00 O ATOM 0 H SER A 82 16.168 -7.708 12.157 1.00 0.00 H new ATOM 0 HA SER A 82 17.908 -6.480 13.999 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.395 -5.647 11.902 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.344 -5.145 13.211 1.00 0.00 H new ATOM 0 HG SER A 82 16.882 -3.506 12.642 1.00 0.00 H new ATOM 1274 N MET A 83 16.840 -6.546 16.217 1.00 0.00 N ATOM 1275 CA MET A 83 16.247 -6.567 17.549 1.00 0.00 C ATOM 1276 C MET A 83 16.681 -5.349 18.357 1.00 0.00 C ATOM 1277 O MET A 83 17.839 -5.243 18.761 1.00 0.00 O ATOM 1278 CB MET A 83 16.639 -7.849 18.285 1.00 0.00 C ATOM 1279 CG MET A 83 15.820 -8.105 19.539 1.00 0.00 C ATOM 1280 SD MET A 83 16.846 -8.449 20.982 1.00 0.00 S ATOM 1281 CE MET A 83 15.856 -7.717 22.283 1.00 0.00 C ATOM 0 H MET A 83 17.857 -6.474 16.210 1.00 0.00 H new ATOM 0 HA MET A 83 15.163 -6.538 17.437 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.526 -8.696 17.608 1.00 0.00 H new ATOM 0 HB3 MET A 83 17.694 -7.795 18.555 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.193 -7.237 19.742 1.00 0.00 H new ATOM 0 HG3 MET A 83 15.150 -8.947 19.365 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.359 -7.849 23.241 1.00 0.00 H new ATOM 0 HE2 MET A 83 15.724 -6.653 22.085 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.881 -8.203 22.316 1.00 0.00 H new ATOM 1291 N GLN A 84 15.746 -4.433 18.588 1.00 0.00 N ATOM 1292 CA GLN A 84 16.035 -3.222 19.348 1.00 0.00 C ATOM 1293 C GLN A 84 15.059 -3.062 20.508 1.00 0.00 C ATOM 1294 O GLN A 84 14.050 -3.763 20.585 1.00 0.00 O ATOM 1295 CB GLN A 84 15.969 -1.995 18.436 1.00 0.00 C ATOM 1296 CG GLN A 84 14.595 -1.764 17.827 1.00 0.00 C ATOM 1297 CD GLN A 84 14.159 -0.314 17.907 1.00 0.00 C ATOM 1298 OE1 GLN A 84 13.024 -0.016 18.279 1.00 0.00 O ATOM 1299 NE2 GLN A 84 15.060 0.596 17.556 1.00 0.00 N ATOM 0 H GLN A 84 14.783 -4.506 18.260 1.00 0.00 H new ATOM 0 HA GLN A 84 17.042 -3.310 19.755 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.258 -1.112 19.007 1.00 0.00 H new ATOM 0 HB3 GLN A 84 16.698 -2.109 17.634 1.00 0.00 H new ATOM 0 HG2 GLN A 84 14.606 -2.079 16.784 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.864 -2.388 18.341 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.989 0.304 17.254 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.823 1.588 17.589 1.00 0.00 H new ATOM 1308 N ALA A 85 15.365 -2.134 21.409 1.00 0.00 N ATOM 1309 CA ALA A 85 14.514 -1.880 22.564 1.00 0.00 C ATOM 1310 C ALA A 85 13.182 -1.269 22.142 1.00 0.00 C ATOM 1311 O ALA A 85 13.140 -0.360 21.313 1.00 0.00 O ATOM 1312 CB ALA A 85 15.224 -0.969 23.554 1.00 0.00 C ATOM 0 H ALA A 85 16.197 -1.546 21.361 1.00 0.00 H new ATOM 0 HA ALA A 85 14.309 -2.835 23.048 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.576 -0.788 24.412 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.146 -1.444 23.890 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.460 -0.021 23.071 1.00 0.00 H new ATOM 1318 N VAL A 86 12.095 -1.775 22.716 1.00 0.00 N ATOM 1319 CA VAL A 86 10.761 -1.278 22.398 1.00 0.00 C ATOM 1320 C VAL A 86 10.337 -0.183 23.370 1.00 0.00 C ATOM 1321 O VAL A 86 10.062 -0.449 24.540 1.00 0.00 O ATOM 1322 CB VAL A 86 9.718 -2.411 22.431 1.00 0.00 C ATOM 1323 CG1 VAL A 86 8.363 -1.903 21.963 1.00 0.00 C ATOM 1324 CG2 VAL A 86 10.180 -3.585 21.581 1.00 0.00 C ATOM 0 H VAL A 86 12.112 -2.528 23.403 1.00 0.00 H new ATOM 0 HA VAL A 86 10.808 -0.867 21.390 1.00 0.00 H new ATOM 0 HB VAL A 86 9.614 -2.756 23.460 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.639 -2.717 21.993 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.031 -1.097 22.618 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.447 -1.530 20.942 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.431 -4.376 21.616 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.314 -3.257 20.550 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.126 -3.964 21.967 1.00 0.00 H new ATOM 1334 N SER A 87 10.286 1.050 22.878 1.00 0.00 N ATOM 1335 CA SER A 87 9.898 2.188 23.703 1.00 0.00 C ATOM 1336 C SER A 87 8.685 2.900 23.112 1.00 0.00 C ATOM 1337 O SER A 87 8.824 3.813 22.299 1.00 0.00 O ATOM 1338 CB SER A 87 11.065 3.169 23.838 1.00 0.00 C ATOM 1339 OG SER A 87 12.242 2.506 24.264 1.00 0.00 O ATOM 0 H SER A 87 10.509 1.287 21.911 1.00 0.00 H new ATOM 0 HA SER A 87 9.631 1.814 24.691 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.246 3.658 22.881 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.806 3.951 24.552 1.00 0.00 H new ATOM 0 HG SER A 87 12.973 3.154 24.341 1.00 0.00 H new ATOM 1345 N ALA A 88 7.497 2.475 23.528 1.00 0.00 N ATOM 1346 CA ALA A 88 6.259 3.072 23.042 1.00 0.00 C ATOM 1347 C ALA A 88 5.281 3.315 24.186 1.00 0.00 C ATOM 1348 O ALA A 88 5.335 2.664 25.230 1.00 0.00 O ATOM 1349 CB ALA A 88 5.625 2.184 21.982 1.00 0.00 C ATOM 0 H ALA A 88 7.365 1.719 24.201 1.00 0.00 H new ATOM 0 HA ALA A 88 6.501 4.036 22.595 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.701 2.642 21.628 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.315 2.066 21.146 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.404 1.207 22.411 1.00 0.00 H new ATOM 1355 N PRO A 89 4.364 4.273 23.988 1.00 0.00 N ATOM 1356 CA PRO A 89 3.355 4.624 24.993 1.00 0.00 C ATOM 1357 C PRO A 89 2.312 3.527 25.175 1.00 0.00 C ATOM 1358 O PRO A 89 2.341 2.510 24.482 1.00 0.00 O ATOM 1359 CB PRO A 89 2.708 5.888 24.421 1.00 0.00 C ATOM 1360 CG PRO A 89 2.922 5.789 22.950 1.00 0.00 C ATOM 1361 CD PRO A 89 4.240 5.089 22.768 1.00 0.00 C ATOM 0 HA PRO A 89 3.795 4.764 25.980 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.647 5.935 24.665 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.168 6.788 24.829 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.115 5.231 22.475 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.939 6.777 22.491 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.247 4.472 21.869 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.062 5.798 22.674 1.00 0.00 H new ATOM 1369 N GLU A 90 1.392 3.740 26.110 1.00 0.00 N ATOM 1370 CA GLU A 90 0.340 2.768 26.382 1.00 0.00 C ATOM 1371 C GLU A 90 0.934 1.409 26.740 1.00 0.00 C ATOM 1372 O GLU A 90 0.652 0.857 27.803 1.00 0.00 O ATOM 1373 CB GLU A 90 -0.583 2.629 25.169 1.00 0.00 C ATOM 1374 CG GLU A 90 -1.522 3.809 24.981 1.00 0.00 C ATOM 1375 CD GLU A 90 -2.814 3.421 24.289 1.00 0.00 C ATOM 1376 OE1 GLU A 90 -3.717 2.893 24.970 1.00 0.00 O ATOM 1377 OE2 GLU A 90 -2.922 3.647 23.065 1.00 0.00 O ATOM 0 H GLU A 90 1.354 4.577 26.692 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.240 3.127 27.232 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.025 2.513 24.272 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.173 1.719 25.274 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.752 4.245 25.953 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.019 4.580 24.397 1.00 0.00 H new TER 1384 GLU A 90