USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 CYS SG : rot -129:sc= -2.51 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.32! C(o=-17!,f=-20!) USER MOD Set 1.3: A 34 CYS SG : rot 171:sc= -1.99 USER MOD Set 1.4: A 37 CYS SG : rot -34:sc= -5.85! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.58 USER MOD Single : A 14 THR OG1 : rot -129:sc= -0.638 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 133:sc= -2.01 (180deg=-5.42!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -12.250 19.916 -6.170 1.00 0.00 N ATOM 2 CA ALA A 2 -11.135 18.937 -6.096 1.00 0.00 C ATOM 3 C ALA A 2 -11.661 17.526 -5.857 1.00 0.00 C ATOM 4 O ALA A 2 -12.140 17.207 -4.769 1.00 0.00 O ATOM 5 CB ALA A 2 -10.160 19.329 -4.997 1.00 0.00 C ATOM 0 HA ALA A 2 -10.612 18.947 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.348 18.603 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.752 20.317 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.680 19.348 -4.039 1.00 0.00 H new ATOM 10 N SER A 3 -11.569 16.684 -6.882 1.00 0.00 N ATOM 11 CA SER A 3 -12.036 15.306 -6.783 1.00 0.00 C ATOM 12 C SER A 3 -10.895 14.326 -7.036 1.00 0.00 C ATOM 13 O SER A 3 -10.274 14.342 -8.099 1.00 0.00 O ATOM 14 CB SER A 3 -13.169 15.056 -7.782 1.00 0.00 C ATOM 15 OG SER A 3 -14.411 15.507 -7.267 1.00 0.00 O ATOM 0 H SER A 3 -11.176 16.932 -7.790 1.00 0.00 H new ATOM 0 HA SER A 3 -12.411 15.147 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.952 15.569 -8.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.230 13.992 -8.008 1.00 0.00 H new ATOM 0 HG SER A 3 -15.118 15.338 -7.924 1.00 0.00 H new ATOM 21 N THR A 4 -10.625 13.474 -6.052 1.00 0.00 N ATOM 22 CA THR A 4 -9.559 12.485 -6.167 1.00 0.00 C ATOM 23 C THR A 4 -10.111 11.070 -6.035 1.00 0.00 C ATOM 24 O THR A 4 -10.274 10.557 -4.927 1.00 0.00 O ATOM 25 CB THR A 4 -8.493 12.730 -5.099 1.00 0.00 C ATOM 26 OG1 THR A 4 -8.070 14.082 -5.112 1.00 0.00 O ATOM 27 CG2 THR A 4 -7.263 11.865 -5.272 1.00 0.00 C ATOM 0 H THR A 4 -11.130 13.449 -5.166 1.00 0.00 H new ATOM 0 HA THR A 4 -9.107 12.588 -7.154 1.00 0.00 H new ATOM 0 HB THR A 4 -8.969 12.474 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.389 14.218 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.547 12.089 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.547 10.814 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.809 12.068 -6.242 1.00 0.00 H new ATOM 35 N SER A 5 -10.400 10.443 -7.171 1.00 0.00 N ATOM 36 CA SER A 5 -10.935 9.087 -7.180 1.00 0.00 C ATOM 37 C SER A 5 -10.812 8.464 -8.567 1.00 0.00 C ATOM 38 O SER A 5 -10.152 7.440 -8.741 1.00 0.00 O ATOM 39 CB SER A 5 -12.400 9.092 -6.738 1.00 0.00 C ATOM 40 OG SER A 5 -12.514 8.824 -5.350 1.00 0.00 O ATOM 0 H SER A 5 -10.273 10.852 -8.096 1.00 0.00 H new ATOM 0 HA SER A 5 -10.353 8.488 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.848 10.060 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.956 8.344 -7.303 1.00 0.00 H new ATOM 0 HG SER A 5 -11.819 9.315 -4.864 1.00 0.00 H new ATOM 46 N ARG A 6 -11.454 9.088 -9.551 1.00 0.00 N ATOM 47 CA ARG A 6 -11.420 8.596 -10.924 1.00 0.00 C ATOM 48 C ARG A 6 -12.076 7.221 -11.026 1.00 0.00 C ATOM 49 O ARG A 6 -13.228 7.103 -11.445 1.00 0.00 O ATOM 50 CB ARG A 6 -9.976 8.528 -11.431 1.00 0.00 C ATOM 51 CG ARG A 6 -9.527 9.787 -12.156 1.00 0.00 C ATOM 52 CD ARG A 6 -9.519 9.592 -13.662 1.00 0.00 C ATOM 53 NE ARG A 6 -10.864 9.648 -14.228 1.00 0.00 N ATOM 54 CZ ARG A 6 -11.530 10.779 -14.448 1.00 0.00 C ATOM 55 NH1 ARG A 6 -10.978 11.951 -14.152 1.00 0.00 N ATOM 56 NH2 ARG A 6 -12.750 10.742 -14.967 1.00 0.00 N ATOM 0 H ARG A 6 -12.005 9.937 -9.422 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.981 9.293 -11.547 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.311 8.348 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.875 7.676 -12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.191 10.612 -11.899 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.528 10.065 -11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.899 10.360 -14.124 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.065 8.630 -13.901 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.320 8.768 -14.469 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.039 11.987 -13.754 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.493 12.815 -14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.179 9.846 -15.198 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.259 11.610 -15.135 1.00 0.00 H new ATOM 70 N LEU A 7 -11.337 6.186 -10.642 1.00 0.00 N ATOM 71 CA LEU A 7 -11.849 4.821 -10.687 1.00 0.00 C ATOM 72 C LEU A 7 -11.134 3.940 -9.667 1.00 0.00 C ATOM 73 O LEU A 7 -11.677 3.642 -8.602 1.00 0.00 O ATOM 74 CB LEU A 7 -11.685 4.240 -12.096 1.00 0.00 C ATOM 75 CG LEU A 7 -12.994 3.934 -12.824 1.00 0.00 C ATOM 76 CD1 LEU A 7 -13.435 5.130 -13.656 1.00 0.00 C ATOM 77 CD2 LEU A 7 -12.840 2.701 -13.702 1.00 0.00 C ATOM 0 H LEU A 7 -10.381 6.266 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.909 4.845 -10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.108 4.942 -12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.101 3.322 -12.029 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.763 3.732 -12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.368 4.894 -14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.586 5.991 -13.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.667 5.363 -14.393 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.781 2.498 -14.213 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.057 2.875 -14.440 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.571 1.845 -13.083 1.00 0.00 H new ATOM 89 N ASP A 8 -9.914 3.527 -9.997 1.00 0.00 N ATOM 90 CA ASP A 8 -9.125 2.682 -9.109 1.00 0.00 C ATOM 91 C ASP A 8 -9.874 1.398 -8.767 1.00 0.00 C ATOM 92 O ASP A 8 -10.583 1.331 -7.763 1.00 0.00 O ATOM 93 CB ASP A 8 -8.778 3.440 -7.827 1.00 0.00 C ATOM 94 CG ASP A 8 -7.593 4.371 -8.007 1.00 0.00 C ATOM 95 OD1 ASP A 8 -7.239 4.663 -9.168 1.00 0.00 O ATOM 96 OD2 ASP A 8 -7.022 4.808 -6.986 1.00 0.00 O ATOM 0 H ASP A 8 -9.451 3.765 -10.874 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.204 2.415 -9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.644 4.017 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.558 2.725 -7.034 1.00 0.00 H new ATOM 101 N ALA A 9 -9.714 0.383 -9.608 1.00 0.00 N ATOM 102 CA ALA A 9 -10.375 -0.899 -9.393 1.00 0.00 C ATOM 103 C ALA A 9 -9.941 -1.923 -10.435 1.00 0.00 C ATOM 104 O ALA A 9 -9.925 -1.637 -11.632 1.00 0.00 O ATOM 105 CB ALA A 9 -11.887 -0.722 -9.422 1.00 0.00 C ATOM 0 H ALA A 9 -9.132 0.423 -10.445 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.081 -1.272 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.369 -1.686 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.187 -0.030 -8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.188 -0.324 -10.391 1.00 0.00 H new ATOM 111 N LEU A 10 -9.592 -3.120 -9.972 1.00 0.00 N ATOM 112 CA LEU A 10 -9.161 -4.189 -10.866 1.00 0.00 C ATOM 113 C LEU A 10 -9.435 -5.561 -10.250 1.00 0.00 C ATOM 114 O LEU A 10 -10.274 -6.311 -10.751 1.00 0.00 O ATOM 115 CB LEU A 10 -7.675 -4.038 -11.203 1.00 0.00 C ATOM 116 CG LEU A 10 -7.378 -3.289 -12.503 1.00 0.00 C ATOM 117 CD1 LEU A 10 -7.196 -1.803 -12.235 1.00 0.00 C ATOM 118 CD2 LEU A 10 -6.139 -3.864 -13.177 1.00 0.00 C ATOM 0 H LEU A 10 -9.599 -3.373 -8.984 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.736 -4.112 -11.789 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.183 -3.518 -10.381 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.229 -5.031 -11.264 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.228 -3.415 -13.174 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.986 -1.287 -13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.107 -1.398 -11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.364 -1.657 -11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.942 -3.320 -14.101 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.283 -3.767 -12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.304 -4.917 -13.405 1.00 0.00 H new ATOM 130 N PRO A 11 -8.739 -5.916 -9.152 1.00 0.00 N ATOM 131 CA PRO A 11 -8.931 -7.208 -8.487 1.00 0.00 C ATOM 132 C PRO A 11 -10.206 -7.244 -7.650 1.00 0.00 C ATOM 133 O PRO A 11 -11.049 -6.352 -7.748 1.00 0.00 O ATOM 134 CB PRO A 11 -7.701 -7.321 -7.590 1.00 0.00 C ATOM 135 CG PRO A 11 -7.353 -5.911 -7.259 1.00 0.00 C ATOM 136 CD PRO A 11 -7.714 -5.096 -8.472 1.00 0.00 C ATOM 0 HA PRO A 11 -9.036 -8.026 -9.199 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.916 -7.899 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.880 -7.823 -8.102 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.903 -5.569 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.292 -5.816 -7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.104 -4.116 -8.195 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.848 -4.925 -9.112 1.00 0.00 H new ATOM 144 N ARG A 12 -10.339 -8.278 -6.825 1.00 0.00 N ATOM 145 CA ARG A 12 -11.509 -8.426 -5.968 1.00 0.00 C ATOM 146 C ARG A 12 -11.277 -7.762 -4.615 1.00 0.00 C ATOM 147 O ARG A 12 -12.037 -6.886 -4.202 1.00 0.00 O ATOM 148 CB ARG A 12 -11.838 -9.907 -5.770 1.00 0.00 C ATOM 149 CG ARG A 12 -13.094 -10.145 -4.943 1.00 0.00 C ATOM 150 CD ARG A 12 -14.201 -10.772 -5.773 1.00 0.00 C ATOM 151 NE ARG A 12 -14.738 -9.840 -6.762 1.00 0.00 N ATOM 152 CZ ARG A 12 -15.504 -8.795 -6.457 1.00 0.00 C ATOM 153 NH1 ARG A 12 -15.823 -8.544 -5.194 1.00 0.00 N ATOM 154 NH2 ARG A 12 -15.950 -7.999 -7.419 1.00 0.00 N ATOM 0 H ARG A 12 -9.651 -9.025 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.351 -7.935 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.960 -10.377 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.994 -10.397 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.858 -10.795 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.441 -9.199 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.817 -11.657 -6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.004 -11.105 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.513 -10.000 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.481 -9.153 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.410 -7.742 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.706 -8.188 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.537 -7.198 -7.187 1.00 0.00 H new ATOM 168 N VAL A 13 -10.217 -8.183 -3.932 1.00 0.00 N ATOM 169 CA VAL A 13 -9.877 -7.629 -2.627 1.00 0.00 C ATOM 170 C VAL A 13 -8.494 -8.095 -2.180 1.00 0.00 C ATOM 171 O VAL A 13 -7.651 -7.285 -1.797 1.00 0.00 O ATOM 172 CB VAL A 13 -10.926 -8.014 -1.560 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.099 -9.524 -1.491 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.543 -7.451 -0.198 1.00 0.00 C ATOM 0 H VAL A 13 -9.578 -8.907 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.870 -6.544 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.881 -7.577 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.842 -9.771 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.431 -9.897 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.148 -9.988 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.296 -7.734 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.574 -7.851 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.485 -6.364 -0.257 1.00 0.00 H new ATOM 184 N THR A 14 -8.265 -9.405 -2.230 1.00 0.00 N ATOM 185 CA THR A 14 -6.985 -9.978 -1.831 1.00 0.00 C ATOM 186 C THR A 14 -6.307 -10.650 -3.030 1.00 0.00 C ATOM 187 O THR A 14 -6.346 -10.123 -4.142 1.00 0.00 O ATOM 188 CB THR A 14 -7.204 -10.977 -0.686 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.064 -12.026 -1.093 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.806 -10.346 0.551 1.00 0.00 C ATOM 0 H THR A 14 -8.952 -10.090 -2.544 1.00 0.00 H new ATOM 0 HA THR A 14 -6.326 -9.185 -1.478 1.00 0.00 H new ATOM 0 HB THR A 14 -6.212 -11.353 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.784 -12.132 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.935 -11.106 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.143 -9.564 0.920 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.775 -9.913 0.304 1.00 0.00 H new ATOM 198 N CYS A 15 -5.694 -11.814 -2.812 1.00 0.00 N ATOM 199 CA CYS A 15 -5.027 -12.541 -3.884 1.00 0.00 C ATOM 200 C CYS A 15 -6.051 -13.180 -4.816 1.00 0.00 C ATOM 201 O CYS A 15 -7.048 -13.741 -4.358 1.00 0.00 O ATOM 202 CB CYS A 15 -4.132 -13.626 -3.291 1.00 0.00 C ATOM 203 SG CYS A 15 -3.105 -14.502 -4.494 1.00 0.00 S ATOM 0 H CYS A 15 -5.648 -12.271 -1.901 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.422 -11.838 -4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.483 -13.173 -2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.759 -14.352 -2.773 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.254 -15.784 -4.340 1.00 0.00 H new ATOM 209 N PRO A 16 -5.824 -13.117 -6.138 1.00 0.00 N ATOM 210 CA PRO A 16 -6.741 -13.707 -7.116 1.00 0.00 C ATOM 211 C PRO A 16 -6.883 -15.214 -6.929 1.00 0.00 C ATOM 212 O PRO A 16 -7.867 -15.811 -7.365 1.00 0.00 O ATOM 213 CB PRO A 16 -6.086 -13.392 -8.467 1.00 0.00 C ATOM 214 CG PRO A 16 -4.658 -13.116 -8.147 1.00 0.00 C ATOM 215 CD PRO A 16 -4.665 -12.480 -6.787 1.00 0.00 C ATOM 0 HA PRO A 16 -7.751 -13.307 -7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.181 -14.230 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.557 -12.532 -8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.072 -14.035 -8.147 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.211 -12.453 -8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.740 -12.674 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.779 -11.398 -6.847 1.00 0.00 H new ATOM 223 N ASN A 17 -5.895 -15.825 -6.284 1.00 0.00 N ATOM 224 CA ASN A 17 -5.911 -17.263 -6.044 1.00 0.00 C ATOM 225 C ASN A 17 -5.881 -17.579 -4.548 1.00 0.00 C ATOM 226 O ASN A 17 -6.041 -18.733 -4.149 1.00 0.00 O ATOM 227 CB ASN A 17 -4.717 -17.921 -6.740 1.00 0.00 C ATOM 228 CG ASN A 17 -5.122 -18.691 -7.981 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.154 -18.143 -9.083 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.435 -19.970 -7.808 1.00 0.00 N ATOM 0 H ASN A 17 -5.072 -15.346 -5.918 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.838 -17.663 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.991 -17.155 -7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.221 -18.596 -6.043 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.716 -20.539 -8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.395 -20.383 -6.876 1.00 0.00 H new ATOM 237 N HIS A 18 -5.690 -16.554 -3.719 1.00 0.00 N ATOM 238 CA HIS A 18 -5.659 -16.746 -2.273 1.00 0.00 C ATOM 239 C HIS A 18 -6.561 -15.738 -1.565 1.00 0.00 C ATOM 240 O HIS A 18 -6.103 -14.676 -1.140 1.00 0.00 O ATOM 241 CB HIS A 18 -4.237 -16.623 -1.723 1.00 0.00 C ATOM 242 CG HIS A 18 -3.283 -17.681 -2.184 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.086 -17.386 -2.798 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.319 -19.029 -2.064 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.421 -18.503 -3.029 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.148 -19.515 -2.594 1.00 0.00 N ATOM 0 H HIS A 18 -5.555 -15.589 -4.022 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.026 -17.754 -2.079 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.838 -15.649 -2.005 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.282 -16.646 -0.634 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.763 -16.449 -3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.118 -19.613 -1.632 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.449 -18.576 -3.494 1.00 0.00 H new ATOM 255 N PRO A 19 -7.856 -16.058 -1.417 1.00 0.00 N ATOM 256 CA PRO A 19 -8.812 -15.173 -0.747 1.00 0.00 C ATOM 257 C PRO A 19 -8.430 -14.915 0.708 1.00 0.00 C ATOM 258 O PRO A 19 -8.664 -13.829 1.238 1.00 0.00 O ATOM 259 CB PRO A 19 -10.140 -15.937 -0.828 1.00 0.00 C ATOM 260 CG PRO A 19 -9.761 -17.355 -1.088 1.00 0.00 C ATOM 261 CD PRO A 19 -8.487 -17.306 -1.879 1.00 0.00 C ATOM 0 HA PRO A 19 -8.851 -14.189 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.705 -15.844 0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.771 -15.546 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.619 -17.898 -0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.544 -17.873 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.857 -18.173 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.679 -17.288 -2.952 1.00 0.00 H new ATOM 269 N ASP A 20 -7.839 -15.920 1.346 1.00 0.00 N ATOM 270 CA ASP A 20 -7.424 -15.803 2.739 1.00 0.00 C ATOM 271 C ASP A 20 -6.060 -15.124 2.853 1.00 0.00 C ATOM 272 O ASP A 20 -5.741 -14.524 3.881 1.00 0.00 O ATOM 273 CB ASP A 20 -7.375 -17.185 3.393 1.00 0.00 C ATOM 274 CG ASP A 20 -8.706 -17.588 3.995 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.542 -16.693 4.240 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.914 -18.799 4.220 1.00 0.00 O ATOM 0 H ASP A 20 -7.637 -16.825 0.920 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.157 -15.185 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.077 -17.925 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.612 -17.189 4.171 1.00 0.00 H new ATOM 281 N ALA A 21 -5.261 -15.215 1.793 1.00 0.00 N ATOM 282 CA ALA A 21 -3.936 -14.603 1.778 1.00 0.00 C ATOM 283 C ALA A 21 -4.032 -13.120 1.426 1.00 0.00 C ATOM 284 O ALA A 21 -3.870 -12.724 0.271 1.00 0.00 O ATOM 285 CB ALA A 21 -3.039 -15.341 0.805 1.00 0.00 C ATOM 0 H ALA A 21 -5.508 -15.706 0.934 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.499 -14.678 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.052 -14.879 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.950 -16.383 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.469 -15.292 -0.195 1.00 0.00 H new ATOM 291 N ILE A 22 -4.345 -12.334 2.444 1.00 0.00 N ATOM 292 CA ILE A 22 -4.524 -10.894 2.299 1.00 0.00 C ATOM 293 C ILE A 22 -3.231 -10.153 1.941 1.00 0.00 C ATOM 294 O ILE A 22 -2.607 -9.534 2.802 1.00 0.00 O ATOM 295 CB ILE A 22 -5.113 -10.269 3.577 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.285 -11.118 4.107 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.538 -8.837 3.290 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.648 -10.464 3.987 1.00 0.00 C ATOM 0 H ILE A 22 -4.483 -12.675 3.396 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.221 -10.777 1.469 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.353 -10.251 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.303 -12.065 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.101 -11.352 5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.955 -8.393 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.672 -8.258 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.291 -8.832 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.410 -11.135 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.655 -9.531 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.860 -10.255 2.938 1.00 0.00 H new ATOM 310 N LEU A 23 -2.848 -10.223 0.654 1.00 0.00 N ATOM 311 CA LEU A 23 -1.634 -9.553 0.153 1.00 0.00 C ATOM 312 C LEU A 23 -1.238 -8.403 1.067 1.00 0.00 C ATOM 313 O LEU A 23 -1.896 -7.368 1.105 1.00 0.00 O ATOM 314 CB LEU A 23 -1.838 -9.009 -1.265 1.00 0.00 C ATOM 315 CG LEU A 23 -1.449 -9.953 -2.399 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.657 -10.770 -2.828 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.878 -9.170 -3.566 1.00 0.00 C ATOM 0 H LEU A 23 -3.363 -10.738 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.841 -10.301 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.888 -8.741 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.261 -8.090 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.678 -10.637 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.373 -11.442 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.020 -11.354 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.445 -10.101 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.605 -9.857 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.625 -8.465 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.007 -8.624 -3.240 1.00 0.00 H new ATOM 329 N VAL A 24 -0.181 -8.599 1.819 1.00 0.00 N ATOM 330 CA VAL A 24 0.282 -7.587 2.747 1.00 0.00 C ATOM 331 C VAL A 24 0.984 -6.451 2.017 1.00 0.00 C ATOM 332 O VAL A 24 1.273 -6.549 0.827 1.00 0.00 O ATOM 333 CB VAL A 24 1.194 -8.217 3.808 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.355 -7.297 5.008 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.618 -9.565 4.219 1.00 0.00 C ATOM 0 H VAL A 24 0.378 -9.452 1.808 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.585 -7.160 3.252 1.00 0.00 H new ATOM 0 HB VAL A 24 2.188 -8.366 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.006 -7.769 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.795 -6.353 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.379 -7.108 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.260 -10.020 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.381 -9.423 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.562 -10.218 3.348 1.00 0.00 H new ATOM 345 N GLU A 25 1.224 -5.365 2.734 1.00 0.00 N ATOM 346 CA GLU A 25 1.847 -4.205 2.170 1.00 0.00 C ATOM 347 C GLU A 25 3.342 -4.362 2.155 1.00 0.00 C ATOM 348 O GLU A 25 3.952 -4.875 3.093 1.00 0.00 O ATOM 349 CB GLU A 25 1.448 -2.951 2.946 1.00 0.00 C ATOM 350 CG GLU A 25 0.182 -2.295 2.419 1.00 0.00 C ATOM 351 CD GLU A 25 0.410 -1.553 1.116 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.067 -2.117 0.218 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.071 -0.406 0.996 1.00 0.00 O ATOM 0 H GLU A 25 0.988 -5.275 3.722 1.00 0.00 H new ATOM 0 HA GLU A 25 1.503 -4.097 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.304 -3.211 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.266 -2.231 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.583 -3.057 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.201 -1.600 3.166 1.00 0.00 H new ATOM 360 N ASP A 26 3.916 -3.887 1.084 1.00 0.00 N ATOM 361 CA ASP A 26 5.337 -3.909 0.879 1.00 0.00 C ATOM 362 C ASP A 26 5.976 -5.294 0.986 1.00 0.00 C ATOM 363 O ASP A 26 6.350 -5.734 2.073 1.00 0.00 O ATOM 364 CB ASP A 26 6.028 -2.932 1.828 1.00 0.00 C ATOM 365 CG ASP A 26 6.675 -1.772 1.098 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.935 -0.921 0.560 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.922 -1.712 1.065 1.00 0.00 O ATOM 0 H ASP A 26 3.397 -3.465 0.314 1.00 0.00 H new ATOM 0 HA ASP A 26 5.485 -3.598 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.299 -2.547 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.786 -3.464 2.403 1.00 0.00 H new ATOM 372 N TYR A 27 6.134 -5.958 -0.162 1.00 0.00 N ATOM 373 CA TYR A 27 6.769 -7.270 -0.211 1.00 0.00 C ATOM 374 C TYR A 27 8.249 -7.124 0.113 1.00 0.00 C ATOM 375 O TYR A 27 9.005 -6.541 -0.664 1.00 0.00 O ATOM 376 CB TYR A 27 6.585 -7.908 -1.602 1.00 0.00 C ATOM 377 CG TYR A 27 7.861 -8.077 -2.405 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.700 -9.164 -2.189 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.223 -7.152 -3.376 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.863 -9.324 -2.918 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.384 -7.304 -4.109 1.00 0.00 C ATOM 382 CZ TYR A 27 10.200 -8.392 -3.877 1.00 0.00 C ATOM 383 OH TYR A 27 11.357 -8.548 -4.605 1.00 0.00 O ATOM 0 H TYR A 27 5.829 -5.605 -1.069 1.00 0.00 H new ATOM 0 HA TYR A 27 6.300 -7.923 0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.120 -8.886 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.890 -7.295 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.439 -9.896 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.586 -6.300 -3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.504 -10.174 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.651 -6.575 -4.860 1.00 0.00 H new ATOM 0 HH TYR A 27 11.447 -7.806 -5.239 1.00 0.00 H new ATOM 393 N ARG A 28 8.661 -7.635 1.270 1.00 0.00 N ATOM 394 CA ARG A 28 10.058 -7.537 1.680 1.00 0.00 C ATOM 395 C ARG A 28 10.593 -6.135 1.396 1.00 0.00 C ATOM 396 O ARG A 28 11.760 -5.963 1.042 1.00 0.00 O ATOM 397 CB ARG A 28 10.895 -8.583 0.940 1.00 0.00 C ATOM 398 CG ARG A 28 11.653 -9.521 1.868 1.00 0.00 C ATOM 399 CD ARG A 28 13.142 -9.528 1.562 1.00 0.00 C ATOM 400 NE ARG A 28 13.927 -10.067 2.671 1.00 0.00 N ATOM 401 CZ ARG A 28 15.235 -9.864 2.821 1.00 0.00 C ATOM 402 NH1 ARG A 28 15.905 -9.131 1.941 1.00 0.00 N ATOM 403 NH2 ARG A 28 15.872 -10.394 3.855 1.00 0.00 N ATOM 0 H ARG A 28 8.054 -8.116 1.934 1.00 0.00 H new ATOM 0 HA ARG A 28 10.126 -7.726 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.241 -9.171 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.607 -8.074 0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.495 -9.216 2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.256 -10.531 1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.325 -10.121 0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.472 -8.512 1.344 1.00 0.00 H new ATOM 0 HE ARG A 28 13.445 -10.631 3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.419 -8.719 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.906 -8.979 2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.361 -10.957 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.874 -10.239 3.971 1.00 0.00 H new ATOM 417 N ALA A 29 9.706 -5.144 1.528 1.00 0.00 N ATOM 418 CA ALA A 29 10.033 -3.741 1.270 1.00 0.00 C ATOM 419 C ALA A 29 9.718 -3.376 -0.177 1.00 0.00 C ATOM 420 O ALA A 29 10.484 -2.670 -0.834 1.00 0.00 O ATOM 421 CB ALA A 29 11.493 -3.438 1.594 1.00 0.00 C ATOM 0 H ALA A 29 8.739 -5.294 1.817 1.00 0.00 H new ATOM 0 HA ALA A 29 9.415 -3.130 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.700 -2.387 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.683 -3.648 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.140 -4.062 0.977 1.00 0.00 H new ATOM 427 N GLY A 30 8.581 -3.870 -0.670 1.00 0.00 N ATOM 428 CA GLY A 30 8.177 -3.593 -2.038 1.00 0.00 C ATOM 429 C GLY A 30 6.702 -3.241 -2.157 1.00 0.00 C ATOM 430 O GLY A 30 6.229 -2.295 -1.528 1.00 0.00 O ATOM 0 H GLY A 30 7.934 -4.457 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.775 -2.770 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.389 -4.464 -2.658 1.00 0.00 H new ATOM 434 N ASP A 31 5.981 -3.999 -2.980 1.00 0.00 N ATOM 435 CA ASP A 31 4.553 -3.767 -3.197 1.00 0.00 C ATOM 436 C ASP A 31 3.705 -4.692 -2.318 1.00 0.00 C ATOM 437 O ASP A 31 4.073 -4.983 -1.186 1.00 0.00 O ATOM 438 CB ASP A 31 4.209 -3.935 -4.682 1.00 0.00 C ATOM 439 CG ASP A 31 5.315 -3.436 -5.596 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.796 -2.304 -5.383 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.699 -4.178 -6.524 1.00 0.00 O ATOM 0 H ASP A 31 6.363 -4.782 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 31 4.320 -2.742 -2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.017 -4.988 -4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.289 -3.394 -4.902 1.00 0.00 H new ATOM 446 N MET A 32 2.560 -5.135 -2.830 1.00 0.00 N ATOM 447 CA MET A 32 1.665 -6.000 -2.070 1.00 0.00 C ATOM 448 C MET A 32 2.048 -7.471 -2.202 1.00 0.00 C ATOM 449 O MET A 32 2.061 -8.031 -3.291 1.00 0.00 O ATOM 450 CB MET A 32 0.250 -5.779 -2.554 1.00 0.00 C ATOM 451 CG MET A 32 -0.332 -4.447 -2.104 1.00 0.00 C ATOM 452 SD MET A 32 -2.119 -4.355 -2.323 1.00 0.00 S ATOM 453 CE MET A 32 -2.657 -5.739 -1.322 1.00 0.00 C ATOM 0 H MET A 32 2.231 -4.909 -3.768 1.00 0.00 H new ATOM 0 HA MET A 32 1.746 -5.744 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.233 -5.827 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.383 -6.588 -2.189 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.091 -4.287 -1.053 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.140 -3.641 -2.666 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.483 -5.427 -0.683 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.987 -6.551 -1.971 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.829 -6.083 -0.702 1.00 0.00 H new ATOM 463 N ILE A 33 2.414 -8.064 -1.084 1.00 0.00 N ATOM 464 CA ILE A 33 2.870 -9.440 -1.045 1.00 0.00 C ATOM 465 C ILE A 33 1.822 -10.399 -0.507 1.00 0.00 C ATOM 466 O ILE A 33 1.354 -10.257 0.618 1.00 0.00 O ATOM 467 CB ILE A 33 4.130 -9.495 -0.160 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.945 -10.758 -0.410 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.751 -9.381 1.304 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.220 -12.016 -0.014 1.00 0.00 C ATOM 0 H ILE A 33 2.404 -7.604 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 33 3.081 -9.759 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 33 4.760 -8.647 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.204 -10.813 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.881 -10.695 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.651 -9.421 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.238 -8.434 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.091 -10.205 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.853 -12.880 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.984 -11.981 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.297 -12.100 -0.588 1.00 0.00 H new ATOM 482 N CYS A 34 1.492 -11.403 -1.306 1.00 0.00 N ATOM 483 CA CYS A 34 0.543 -12.413 -0.885 1.00 0.00 C ATOM 484 C CYS A 34 1.292 -13.492 -0.119 1.00 0.00 C ATOM 485 O CYS A 34 1.853 -14.390 -0.730 1.00 0.00 O ATOM 486 CB CYS A 34 -0.152 -13.038 -2.092 1.00 0.00 C ATOM 487 SG CYS A 34 -1.280 -14.379 -1.679 1.00 0.00 S ATOM 0 H CYS A 34 1.868 -11.537 -2.245 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.215 -11.951 -0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.706 -12.262 -2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.606 -13.414 -2.780 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.963 -14.712 -2.734 1.00 0.00 H new ATOM 493 N PRO A 35 1.310 -13.432 1.222 1.00 0.00 N ATOM 494 CA PRO A 35 2.017 -14.406 2.061 1.00 0.00 C ATOM 495 C PRO A 35 1.834 -15.853 1.617 1.00 0.00 C ATOM 496 O PRO A 35 2.558 -16.737 2.070 1.00 0.00 O ATOM 497 CB PRO A 35 1.409 -14.195 3.460 1.00 0.00 C ATOM 498 CG PRO A 35 0.303 -13.206 3.280 1.00 0.00 C ATOM 499 CD PRO A 35 0.639 -12.426 2.044 1.00 0.00 C ATOM 0 HA PRO A 35 3.094 -14.246 2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.032 -15.133 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.157 -13.821 4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.657 -13.711 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.223 -12.549 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.252 -12.030 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.288 -11.578 2.261 1.00 0.00 H new ATOM 507 N GLU A 36 0.869 -16.099 0.747 1.00 0.00 N ATOM 508 CA GLU A 36 0.604 -17.445 0.279 1.00 0.00 C ATOM 509 C GLU A 36 1.440 -17.768 -0.950 1.00 0.00 C ATOM 510 O GLU A 36 2.337 -18.603 -0.894 1.00 0.00 O ATOM 511 CB GLU A 36 -0.883 -17.605 -0.023 1.00 0.00 C ATOM 512 CG GLU A 36 -1.704 -18.074 1.168 1.00 0.00 C ATOM 513 CD GLU A 36 -1.137 -19.315 1.821 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.266 -19.960 1.205 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.564 -19.643 2.948 1.00 0.00 O ATOM 0 H GLU A 36 0.258 -15.384 0.352 1.00 0.00 H new ATOM 0 HA GLU A 36 0.882 -18.148 1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.278 -16.651 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.004 -18.317 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.756 -17.273 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.725 -18.275 0.843 1.00 0.00 H new ATOM 522 N CYS A 37 1.201 -17.058 -2.039 1.00 0.00 N ATOM 523 CA CYS A 37 1.993 -17.259 -3.247 1.00 0.00 C ATOM 524 C CYS A 37 3.163 -16.305 -3.200 1.00 0.00 C ATOM 525 O CYS A 37 4.165 -16.478 -3.885 1.00 0.00 O ATOM 526 CB CYS A 37 1.170 -17.009 -4.517 1.00 0.00 C ATOM 527 SG CYS A 37 0.177 -15.500 -4.478 1.00 0.00 S ATOM 0 H CYS A 37 0.475 -16.345 -2.115 1.00 0.00 H new ATOM 0 HA CYS A 37 2.332 -18.294 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.847 -16.962 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.509 -17.860 -4.680 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.248 -15.292 -3.267 1.00 0.00 H new ATOM 533 N GLY A 38 2.991 -15.288 -2.369 1.00 0.00 N ATOM 534 CA GLY A 38 3.977 -14.266 -2.181 1.00 0.00 C ATOM 535 C GLY A 38 4.152 -13.418 -3.413 1.00 0.00 C ATOM 536 O GLY A 38 5.258 -12.995 -3.752 1.00 0.00 O ATOM 0 H GLY A 38 2.150 -15.159 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.687 -13.632 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.930 -14.725 -1.919 1.00 0.00 H new ATOM 540 N LEU A 39 3.035 -13.170 -4.072 1.00 0.00 N ATOM 541 CA LEU A 39 2.996 -12.364 -5.273 1.00 0.00 C ATOM 542 C LEU A 39 3.100 -10.885 -4.914 1.00 0.00 C ATOM 543 O LEU A 39 2.662 -10.479 -3.837 1.00 0.00 O ATOM 544 CB LEU A 39 1.680 -12.622 -5.995 1.00 0.00 C ATOM 545 CG LEU A 39 0.512 -11.813 -5.437 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.342 -10.556 -6.242 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.771 -12.611 -5.416 1.00 0.00 C ATOM 0 H LEU A 39 2.123 -13.526 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 39 3.834 -12.629 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.802 -12.387 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.441 -13.683 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 39 0.742 -11.555 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.492 -9.979 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.254 -9.962 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.140 -10.814 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.575 -11.996 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.025 -12.919 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.640 -13.494 -4.791 1.00 0.00 H new ATOM 559 N VAL A 40 3.702 -10.098 -5.800 1.00 0.00 N ATOM 560 CA VAL A 40 3.885 -8.677 -5.557 1.00 0.00 C ATOM 561 C VAL A 40 3.074 -7.817 -6.526 1.00 0.00 C ATOM 562 O VAL A 40 3.356 -7.782 -7.723 1.00 0.00 O ATOM 563 CB VAL A 40 5.374 -8.302 -5.672 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.599 -6.851 -5.282 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.217 -9.231 -4.813 1.00 0.00 C ATOM 0 H VAL A 40 4.071 -10.424 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 40 3.527 -8.479 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 40 5.681 -8.419 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.658 -6.610 -5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.023 -6.203 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.278 -6.697 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.268 -8.956 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.907 -9.145 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.081 -10.259 -5.148 1.00 0.00 H new ATOM 575 N VAL A 41 2.080 -7.103 -5.994 1.00 0.00 N ATOM 576 CA VAL A 41 1.249 -6.220 -6.811 1.00 0.00 C ATOM 577 C VAL A 41 1.541 -4.762 -6.486 1.00 0.00 C ATOM 578 O VAL A 41 1.579 -4.377 -5.320 1.00 0.00 O ATOM 579 CB VAL A 41 -0.266 -6.446 -6.590 1.00 0.00 C ATOM 580 CG1 VAL A 41 -1.085 -5.583 -7.536 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.625 -7.903 -6.760 1.00 0.00 C ATOM 0 H VAL A 41 1.832 -7.119 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 41 1.496 -6.455 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.502 -6.153 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.147 -5.759 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.858 -4.532 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.839 -5.838 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.695 -8.035 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.367 -8.226 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.073 -8.501 -6.035 1.00 0.00 H new ATOM 591 N GLY A 42 1.720 -3.948 -7.519 1.00 0.00 N ATOM 592 CA GLY A 42 1.980 -2.542 -7.309 1.00 0.00 C ATOM 593 C GLY A 42 3.298 -2.097 -7.889 1.00 0.00 C ATOM 594 O GLY A 42 4.199 -2.904 -8.117 1.00 0.00 O ATOM 0 H GLY A 42 1.689 -4.239 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.176 -1.958 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.970 -2.331 -6.240 1.00 0.00 H new ATOM 598 N ASP A 43 3.401 -0.801 -8.118 1.00 0.00 N ATOM 599 CA ASP A 43 4.602 -0.203 -8.666 1.00 0.00 C ATOM 600 C ASP A 43 4.340 1.269 -8.970 1.00 0.00 C ATOM 601 O ASP A 43 4.545 2.128 -8.114 1.00 0.00 O ATOM 602 CB ASP A 43 5.057 -0.945 -9.929 1.00 0.00 C ATOM 603 CG ASP A 43 6.223 -1.879 -9.665 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.532 -2.123 -8.478 1.00 0.00 O ATOM 605 OD2 ASP A 43 6.826 -2.364 -10.643 1.00 0.00 O ATOM 0 H ASP A 43 2.653 -0.134 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 43 5.404 -0.281 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.221 -1.517 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.342 -0.219 -10.690 1.00 0.00 H new ATOM 610 N ARG A 44 3.862 1.551 -10.184 1.00 0.00 N ATOM 611 CA ARG A 44 3.546 2.917 -10.597 1.00 0.00 C ATOM 612 C ARG A 44 4.764 3.836 -10.518 1.00 0.00 C ATOM 613 O ARG A 44 5.325 4.216 -11.541 1.00 0.00 O ATOM 614 CB ARG A 44 2.414 3.479 -9.735 1.00 0.00 C ATOM 615 CG ARG A 44 1.040 3.344 -10.373 1.00 0.00 C ATOM 616 CD ARG A 44 0.477 4.696 -10.783 1.00 0.00 C ATOM 617 NE ARG A 44 -0.844 4.577 -11.393 1.00 0.00 N ATOM 618 CZ ARG A 44 -1.047 4.236 -12.663 1.00 0.00 C ATOM 619 NH1 ARG A 44 -0.019 3.975 -13.462 1.00 0.00 N ATOM 620 NH2 ARG A 44 -2.283 4.154 -13.138 1.00 0.00 N ATOM 0 H ARG A 44 3.685 0.847 -10.900 1.00 0.00 H new ATOM 0 HA ARG A 44 3.229 2.877 -11.639 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.411 2.966 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.610 4.532 -9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.106 2.697 -11.247 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.358 2.863 -9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.415 5.343 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.159 5.174 -11.486 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.660 4.767 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.934 4.035 -13.103 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.182 3.714 -14.434 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.077 4.352 -12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.439 3.893 -14.112 1.00 0.00 H new ATOM 634 N VAL A 45 5.145 4.198 -9.291 1.00 0.00 N ATOM 635 CA VAL A 45 6.282 5.090 -9.025 1.00 0.00 C ATOM 636 C VAL A 45 5.848 6.558 -9.045 1.00 0.00 C ATOM 637 O VAL A 45 6.615 7.445 -8.668 1.00 0.00 O ATOM 638 CB VAL A 45 7.478 4.875 -9.998 1.00 0.00 C ATOM 639 CG1 VAL A 45 7.628 3.404 -10.363 1.00 0.00 C ATOM 640 CG2 VAL A 45 7.358 5.739 -11.253 1.00 0.00 C ATOM 0 H VAL A 45 4.671 3.879 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 45 6.634 4.830 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 45 8.379 5.191 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.471 3.282 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.804 2.821 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.716 3.055 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.214 5.557 -11.903 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.439 5.486 -11.782 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.335 6.791 -10.970 1.00 0.00 H new ATOM 650 N ILE A 46 4.613 6.808 -9.477 1.00 0.00 N ATOM 651 CA ILE A 46 4.078 8.162 -9.535 1.00 0.00 C ATOM 652 C ILE A 46 2.688 8.218 -8.906 1.00 0.00 C ATOM 653 O ILE A 46 1.735 7.641 -9.432 1.00 0.00 O ATOM 654 CB ILE A 46 3.995 8.679 -10.986 1.00 0.00 C ATOM 655 CG1 ILE A 46 5.348 8.526 -11.688 1.00 0.00 C ATOM 656 CG2 ILE A 46 3.541 10.132 -11.007 1.00 0.00 C ATOM 657 CD1 ILE A 46 5.284 7.691 -12.947 1.00 0.00 C ATOM 0 H ILE A 46 3.965 6.086 -9.792 1.00 0.00 H new ATOM 0 HA ILE A 46 4.762 8.800 -8.975 1.00 0.00 H new ATOM 0 HB ILE A 46 3.260 8.081 -11.525 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.733 9.515 -11.937 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.058 8.072 -10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.488 10.482 -12.038 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.557 10.212 -10.545 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.253 10.744 -10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.277 7.625 -13.391 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.929 6.690 -12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.599 8.155 -13.657 1.00 0.00 H new ATOM 669 N ASP A 47 2.580 8.908 -7.775 1.00 0.00 N ATOM 670 CA ASP A 47 1.307 9.032 -7.071 1.00 0.00 C ATOM 671 C ASP A 47 0.201 9.518 -8.005 1.00 0.00 C ATOM 672 O ASP A 47 -0.609 8.725 -8.485 1.00 0.00 O ATOM 673 CB ASP A 47 1.449 9.990 -5.885 1.00 0.00 C ATOM 674 CG ASP A 47 2.215 9.370 -4.732 1.00 0.00 C ATOM 675 OD1 ASP A 47 3.235 8.698 -4.990 1.00 0.00 O ATOM 676 OD2 ASP A 47 1.795 9.561 -3.571 1.00 0.00 O ATOM 0 H ASP A 47 3.358 9.390 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 47 1.030 8.044 -6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.959 10.896 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.459 10.288 -5.541 1.00 0.00 H new ATOM 681 N VAL A 48 0.172 10.822 -8.258 1.00 0.00 N ATOM 682 CA VAL A 48 -0.838 11.407 -9.135 1.00 0.00 C ATOM 683 C VAL A 48 -0.208 11.944 -10.416 1.00 0.00 C ATOM 684 O VAL A 48 0.565 12.900 -10.386 1.00 0.00 O ATOM 685 CB VAL A 48 -1.599 12.548 -8.433 1.00 0.00 C ATOM 686 CG1 VAL A 48 -2.600 11.987 -7.435 1.00 0.00 C ATOM 687 CG2 VAL A 48 -0.629 13.500 -7.750 1.00 0.00 C ATOM 0 H VAL A 48 0.834 11.493 -7.870 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.540 10.611 -9.384 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.149 13.110 -9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.128 12.807 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.317 11.352 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.074 11.398 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.187 14.298 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.047 12.955 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.043 13.930 -8.493 1.00 0.00 H new ATOM 697 N GLY A 49 -0.548 11.321 -11.541 1.00 0.00 N ATOM 698 CA GLY A 49 -0.008 11.749 -12.817 1.00 0.00 C ATOM 699 C GLY A 49 -1.064 12.361 -13.716 1.00 0.00 C ATOM 700 O GLY A 49 -0.773 13.264 -14.500 1.00 0.00 O ATOM 0 H GLY A 49 -1.188 10.528 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.786 12.476 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.444 10.895 -13.322 1.00 0.00 H new ATOM 704 N SER A 50 -2.294 11.869 -13.600 1.00 0.00 N ATOM 705 CA SER A 50 -3.398 12.377 -14.407 1.00 0.00 C ATOM 706 C SER A 50 -3.700 13.830 -14.062 1.00 0.00 C ATOM 707 O SER A 50 -3.584 14.240 -12.907 1.00 0.00 O ATOM 708 CB SER A 50 -4.647 11.518 -14.195 1.00 0.00 C ATOM 709 OG SER A 50 -5.667 11.865 -15.117 1.00 0.00 O ATOM 0 H SER A 50 -2.551 11.121 -12.956 1.00 0.00 H new ATOM 0 HA SER A 50 -3.104 12.327 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.392 10.465 -14.310 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.013 11.648 -13.177 1.00 0.00 H new ATOM 0 HG SER A 50 -6.453 11.301 -14.962 1.00 0.00 H new ATOM 715 N GLU A 51 -4.089 14.605 -15.068 1.00 0.00 N ATOM 716 CA GLU A 51 -4.406 16.015 -14.869 1.00 0.00 C ATOM 717 C GLU A 51 -3.206 16.763 -14.298 1.00 0.00 C ATOM 718 O GLU A 51 -2.096 16.232 -14.253 1.00 0.00 O ATOM 719 CB GLU A 51 -5.609 16.162 -13.934 1.00 0.00 C ATOM 720 CG GLU A 51 -6.619 17.197 -14.402 1.00 0.00 C ATOM 721 CD GLU A 51 -7.424 17.782 -13.259 1.00 0.00 C ATOM 722 OE1 GLU A 51 -6.954 17.714 -12.104 1.00 0.00 O ATOM 723 OE2 GLU A 51 -8.528 18.309 -13.518 1.00 0.00 O ATOM 0 H GLU A 51 -4.193 14.281 -16.030 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.655 16.449 -15.838 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.107 15.197 -13.841 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.255 16.435 -12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.097 18.000 -14.922 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.297 16.739 -15.122 1.00 0.00 H new ATOM 730 N TRP A 52 -3.432 17.998 -13.863 1.00 0.00 N ATOM 731 CA TRP A 52 -2.364 18.812 -13.295 1.00 0.00 C ATOM 732 C TRP A 52 -2.068 18.392 -11.853 1.00 0.00 C ATOM 733 O TRP A 52 -1.254 17.498 -11.619 1.00 0.00 O ATOM 734 CB TRP A 52 -2.734 20.297 -13.357 1.00 0.00 C ATOM 735 CG TRP A 52 -2.275 20.970 -14.614 1.00 0.00 C ATOM 736 CD1 TRP A 52 -2.114 20.396 -15.841 1.00 0.00 C ATOM 737 CD2 TRP A 52 -1.915 22.349 -14.766 1.00 0.00 C ATOM 738 NE1 TRP A 52 -1.676 21.331 -16.747 1.00 0.00 N ATOM 739 CE2 TRP A 52 -1.547 22.538 -16.111 1.00 0.00 C ATOM 740 CE3 TRP A 52 -1.870 23.441 -13.895 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -1.139 23.774 -16.606 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -1.466 24.669 -14.387 1.00 0.00 C ATOM 743 CH2 TRP A 52 -1.105 24.826 -15.731 1.00 0.00 C ATOM 0 H TRP A 52 -4.343 18.456 -13.893 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.462 18.654 -13.886 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.816 20.399 -13.273 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.298 20.809 -12.499 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.303 19.357 -16.067 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.479 21.156 -17.732 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.146 23.328 -12.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.860 23.898 -17.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.428 25.521 -13.724 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.793 25.798 -16.085 1.00 0.00 H new ATOM 754 N ARG A 53 -2.734 19.030 -10.893 1.00 0.00 N ATOM 755 CA ARG A 53 -2.538 18.710 -9.482 1.00 0.00 C ATOM 756 C ARG A 53 -1.093 18.961 -9.056 1.00 0.00 C ATOM 757 O ARG A 53 -0.154 18.639 -9.784 1.00 0.00 O ATOM 758 CB ARG A 53 -2.921 17.252 -9.213 1.00 0.00 C ATOM 759 CG ARG A 53 -4.141 17.098 -8.318 1.00 0.00 C ATOM 760 CD ARG A 53 -3.940 17.781 -6.973 1.00 0.00 C ATOM 761 NE ARG A 53 -3.913 16.821 -5.871 1.00 0.00 N ATOM 762 CZ ARG A 53 -2.819 16.174 -5.475 1.00 0.00 C ATOM 763 NH1 ARG A 53 -1.658 16.377 -6.085 1.00 0.00 N ATOM 764 NH2 ARG A 53 -2.886 15.319 -4.464 1.00 0.00 N ATOM 0 H ARG A 53 -3.413 19.771 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.183 19.363 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.113 16.754 -10.164 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.075 16.742 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.013 17.522 -8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.347 16.039 -8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.006 18.343 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.742 18.500 -6.808 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.785 16.636 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.599 17.033 -6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.825 15.877 -5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.775 15.158 -3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.049 14.823 -4.160 1.00 0.00 H new ATOM 778 N THR A 54 -0.922 19.536 -7.871 1.00 0.00 N ATOM 779 CA THR A 54 0.406 19.827 -7.347 1.00 0.00 C ATOM 780 C THR A 54 0.490 19.481 -5.863 1.00 0.00 C ATOM 781 O THR A 54 -0.532 19.329 -5.192 1.00 0.00 O ATOM 782 CB THR A 54 0.752 21.301 -7.560 1.00 0.00 C ATOM 783 OG1 THR A 54 0.183 21.780 -8.765 1.00 0.00 O ATOM 784 CG2 THR A 54 2.241 21.564 -7.619 1.00 0.00 C ATOM 0 H THR A 54 -1.687 19.810 -7.255 1.00 0.00 H new ATOM 0 HA THR A 54 1.126 19.213 -7.888 1.00 0.00 H new ATOM 0 HB THR A 54 0.342 21.822 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.414 22.725 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.417 22.629 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.703 21.251 -6.683 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.677 21.002 -8.445 1.00 0.00 H new ATOM 792 N PHE A 55 1.713 19.359 -5.356 1.00 0.00 N ATOM 793 CA PHE A 55 1.925 19.032 -3.951 1.00 0.00 C ATOM 794 C PHE A 55 2.270 20.281 -3.148 1.00 0.00 C ATOM 795 O PHE A 55 3.441 20.610 -2.961 1.00 0.00 O ATOM 796 CB PHE A 55 3.039 17.990 -3.805 1.00 0.00 C ATOM 797 CG PHE A 55 4.248 18.276 -4.650 1.00 0.00 C ATOM 798 CD1 PHE A 55 4.318 17.825 -5.959 1.00 0.00 C ATOM 799 CD2 PHE A 55 5.317 18.993 -4.134 1.00 0.00 C ATOM 800 CE1 PHE A 55 5.431 18.086 -6.737 1.00 0.00 C ATOM 801 CE2 PHE A 55 6.432 19.256 -4.908 1.00 0.00 C ATOM 802 CZ PHE A 55 6.488 18.801 -6.211 1.00 0.00 C ATOM 0 H PHE A 55 2.570 19.481 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 55 0.998 18.615 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.342 17.939 -2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.644 17.009 -4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.495 17.264 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.278 19.350 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.473 17.730 -7.756 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.258 19.816 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.358 19.005 -6.818 1.00 0.00 H new ATOM 812 N SER A 56 1.239 20.977 -2.675 1.00 0.00 N ATOM 813 CA SER A 56 1.431 22.191 -1.892 1.00 0.00 C ATOM 814 C SER A 56 2.168 23.251 -2.704 1.00 0.00 C ATOM 815 O SER A 56 3.399 23.296 -2.714 1.00 0.00 O ATOM 816 CB SER A 56 2.207 21.881 -0.610 1.00 0.00 C ATOM 817 OG SER A 56 1.327 21.600 0.463 1.00 0.00 O ATOM 0 H SER A 56 0.263 20.720 -2.821 1.00 0.00 H new ATOM 0 HA SER A 56 0.448 22.581 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.866 21.029 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.842 22.729 -0.351 1.00 0.00 H new ATOM 0 HG SER A 56 1.847 21.404 1.270 1.00 0.00 H new ATOM 823 N ASN A 57 1.408 24.102 -3.385 1.00 0.00 N ATOM 824 CA ASN A 57 1.990 25.163 -4.200 1.00 0.00 C ATOM 825 C ASN A 57 2.674 26.210 -3.327 1.00 0.00 C ATOM 826 O ASN A 57 2.506 26.220 -2.107 1.00 0.00 O ATOM 827 CB ASN A 57 0.911 25.822 -5.061 1.00 0.00 C ATOM 828 CG ASN A 57 1.378 26.074 -6.482 1.00 0.00 C ATOM 829 OD1 ASN A 57 1.509 25.144 -7.279 1.00 0.00 O ATOM 830 ND2 ASN A 57 1.633 27.336 -6.806 1.00 0.00 N ATOM 0 H ASN A 57 0.388 24.078 -3.389 1.00 0.00 H new ATOM 0 HA ASN A 57 2.741 24.716 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.026 25.186 -5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.614 26.767 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.951 27.567 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.511 28.075 -6.114 1.00 0.00 H new ATOM 837 N ASP A 58 3.443 27.089 -3.959 1.00 0.00 N ATOM 838 CA ASP A 58 4.151 28.141 -3.240 1.00 0.00 C ATOM 839 C ASP A 58 4.360 29.363 -4.129 1.00 0.00 C ATOM 840 O ASP A 58 4.103 30.494 -3.717 1.00 0.00 O ATOM 841 CB ASP A 58 5.500 27.623 -2.736 1.00 0.00 C ATOM 842 CG ASP A 58 5.476 27.295 -1.255 1.00 0.00 C ATOM 843 OD1 ASP A 58 4.945 26.224 -0.893 1.00 0.00 O ATOM 844 OD2 ASP A 58 5.989 28.109 -0.459 1.00 0.00 O ATOM 0 H ASP A 58 3.592 27.094 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 58 3.542 28.437 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.777 26.731 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.268 28.372 -2.927 1.00 0.00 H new ATOM 849 N LYS A 59 4.825 29.127 -5.351 1.00 0.00 N ATOM 850 CA LYS A 59 5.068 30.207 -6.299 1.00 0.00 C ATOM 851 C LYS A 59 3.762 30.887 -6.694 1.00 0.00 C ATOM 852 O LYS A 59 2.849 30.182 -7.173 1.00 0.00 O ATOM 853 CB LYS A 59 5.775 29.671 -7.545 1.00 0.00 C ATOM 854 CG LYS A 59 7.219 29.264 -7.298 1.00 0.00 C ATOM 855 CD LYS A 59 7.574 27.985 -8.041 1.00 0.00 C ATOM 856 CE LYS A 59 7.463 26.766 -7.138 1.00 0.00 C ATOM 857 NZ LYS A 59 6.844 25.609 -7.839 1.00 0.00 N ATOM 0 H LYS A 59 5.041 28.196 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 59 5.709 30.944 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.223 28.810 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.749 30.434 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.884 30.067 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.380 29.122 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.912 27.865 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.589 28.059 -8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.455 26.486 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.869 27.018 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.787 24.799 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.888 25.866 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.424 25.351 -8.663 1.00 0.00 H new TER 871 LYS A 59