USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 34:sc= 1.22 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -68:sc= 1.1 USER MOD Single : A 17 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 54:sc= 0.337 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.088 K(o=-0.088,f=-0.83) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -19.428 -4.882 -24.288 1.00 0.00 N ATOM 2 CA ALA A 2 -17.955 -5.053 -24.389 1.00 0.00 C ATOM 3 C ALA A 2 -17.519 -5.193 -25.844 1.00 0.00 C ATOM 4 O ALA A 2 -18.350 -5.237 -26.750 1.00 0.00 O ATOM 5 CB ALA A 2 -17.509 -6.264 -23.585 1.00 0.00 C ATOM 0 HA ALA A 2 -17.480 -4.162 -23.978 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.428 -6.378 -23.668 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.780 -6.126 -22.538 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.998 -7.158 -23.972 1.00 0.00 H new ATOM 13 N SER A 3 -16.209 -5.263 -26.058 1.00 0.00 N ATOM 14 CA SER A 3 -15.661 -5.398 -27.403 1.00 0.00 C ATOM 15 C SER A 3 -14.144 -5.552 -27.361 1.00 0.00 C ATOM 16 O SER A 3 -13.611 -6.624 -27.647 1.00 0.00 O ATOM 17 CB SER A 3 -16.039 -4.185 -28.255 1.00 0.00 C ATOM 18 OG SER A 3 -17.248 -4.411 -28.957 1.00 0.00 O ATOM 0 H SER A 3 -15.508 -5.229 -25.318 1.00 0.00 H new ATOM 0 HA SER A 3 -16.086 -6.295 -27.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.144 -3.307 -27.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.239 -3.971 -28.963 1.00 0.00 H new ATOM 0 HG SER A 3 -17.841 -4.972 -28.415 1.00 0.00 H new ATOM 24 N THR A 4 -13.455 -4.473 -27.004 1.00 0.00 N ATOM 25 CA THR A 4 -11.999 -4.489 -26.924 1.00 0.00 C ATOM 26 C THR A 4 -11.527 -4.206 -25.502 1.00 0.00 C ATOM 27 O THR A 4 -10.602 -4.846 -25.006 1.00 0.00 O ATOM 28 CB THR A 4 -11.405 -3.457 -27.885 1.00 0.00 C ATOM 29 OG1 THR A 4 -11.894 -3.654 -29.200 1.00 0.00 O ATOM 30 CG2 THR A 4 -9.893 -3.500 -27.947 1.00 0.00 C ATOM 0 H THR A 4 -13.881 -3.577 -26.766 1.00 0.00 H new ATOM 0 HA THR A 4 -11.656 -5.483 -27.209 1.00 0.00 H new ATOM 0 HB THR A 4 -11.711 -2.487 -27.492 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.503 -2.983 -29.798 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.536 -2.744 -28.646 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.482 -3.302 -26.957 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.571 -4.486 -28.283 1.00 0.00 H new ATOM 38 N SER A 5 -12.172 -3.243 -24.851 1.00 0.00 N ATOM 39 CA SER A 5 -11.818 -2.875 -23.485 1.00 0.00 C ATOM 40 C SER A 5 -10.372 -2.397 -23.407 1.00 0.00 C ATOM 41 O SER A 5 -9.610 -2.535 -24.363 1.00 0.00 O ATOM 42 CB SER A 5 -12.027 -4.063 -22.545 1.00 0.00 C ATOM 43 OG SER A 5 -13.128 -4.854 -22.957 1.00 0.00 O ATOM 0 H SER A 5 -12.942 -2.704 -25.247 1.00 0.00 H new ATOM 0 HA SER A 5 -12.468 -2.057 -23.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.125 -4.675 -22.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.194 -3.702 -21.530 1.00 0.00 H new ATOM 0 HG SER A 5 -13.239 -5.607 -22.340 1.00 0.00 H new ATOM 49 N ARG A 6 -10.001 -1.834 -22.261 1.00 0.00 N ATOM 50 CA ARG A 6 -8.646 -1.335 -22.058 1.00 0.00 C ATOM 51 C ARG A 6 -7.813 -2.335 -21.261 1.00 0.00 C ATOM 52 O ARG A 6 -6.838 -2.889 -21.767 1.00 0.00 O ATOM 53 CB ARG A 6 -8.680 0.014 -21.336 1.00 0.00 C ATOM 54 CG ARG A 6 -8.325 1.191 -22.232 1.00 0.00 C ATOM 55 CD ARG A 6 -8.639 2.519 -21.561 1.00 0.00 C ATOM 56 NE ARG A 6 -7.426 3.246 -21.193 1.00 0.00 N ATOM 57 CZ ARG A 6 -6.688 3.941 -22.055 1.00 0.00 C ATOM 58 NH1 ARG A 6 -7.034 4.005 -23.335 1.00 0.00 N ATOM 59 NH2 ARG A 6 -5.601 4.574 -21.637 1.00 0.00 N ATOM 0 H ARG A 6 -10.620 -1.712 -21.459 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.182 -1.202 -23.035 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.676 0.170 -20.922 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.986 -0.015 -20.496 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.265 1.151 -22.483 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.878 1.116 -23.168 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.239 3.132 -22.233 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.240 2.342 -20.669 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.127 3.219 -20.218 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.869 3.520 -23.662 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.464 4.539 -23.991 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.330 4.528 -20.655 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.035 5.107 -22.298 1.00 0.00 H new ATOM 73 N LEU A 7 -8.206 -2.560 -20.011 1.00 0.00 N ATOM 74 CA LEU A 7 -7.497 -3.493 -19.143 1.00 0.00 C ATOM 75 C LEU A 7 -8.478 -4.353 -18.351 1.00 0.00 C ATOM 76 O LEU A 7 -9.444 -3.844 -17.783 1.00 0.00 O ATOM 77 CB LEU A 7 -6.575 -2.732 -18.187 1.00 0.00 C ATOM 78 CG LEU A 7 -5.102 -2.699 -18.597 1.00 0.00 C ATOM 79 CD1 LEU A 7 -4.562 -4.112 -18.756 1.00 0.00 C ATOM 80 CD2 LEU A 7 -4.926 -1.910 -19.885 1.00 0.00 C ATOM 0 H LEU A 7 -9.011 -2.109 -19.577 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.894 -4.149 -19.771 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.935 -1.707 -18.099 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.651 -3.183 -17.198 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.535 -2.202 -17.810 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.513 -4.070 -19.048 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.654 -4.645 -17.810 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.132 -4.635 -19.524 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.872 -1.897 -20.162 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.505 -2.379 -20.681 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.275 -0.888 -19.736 1.00 0.00 H new ATOM 92 N ASP A 8 -8.222 -5.656 -18.318 1.00 0.00 N ATOM 93 CA ASP A 8 -9.082 -6.585 -17.595 1.00 0.00 C ATOM 94 C ASP A 8 -8.447 -6.994 -16.270 1.00 0.00 C ATOM 95 O ASP A 8 -7.768 -8.016 -16.184 1.00 0.00 O ATOM 96 CB ASP A 8 -9.360 -7.825 -18.450 1.00 0.00 C ATOM 97 CG ASP A 8 -10.843 -8.074 -18.642 1.00 0.00 C ATOM 98 OD1 ASP A 8 -11.596 -7.973 -17.651 1.00 0.00 O ATOM 99 OD2 ASP A 8 -11.252 -8.370 -19.785 1.00 0.00 O ATOM 0 H ASP A 8 -7.426 -6.093 -18.783 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.025 -6.081 -17.383 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.885 -7.705 -19.424 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.906 -8.697 -17.979 1.00 0.00 H new ATOM 104 N ALA A 9 -8.670 -6.185 -15.238 1.00 0.00 N ATOM 105 CA ALA A 9 -8.119 -6.462 -13.918 1.00 0.00 C ATOM 106 C ALA A 9 -9.173 -7.071 -12.998 1.00 0.00 C ATOM 107 O ALA A 9 -9.657 -6.418 -12.074 1.00 0.00 O ATOM 108 CB ALA A 9 -7.552 -5.190 -13.305 1.00 0.00 C ATOM 0 H ALA A 9 -9.228 -5.333 -15.292 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.314 -7.187 -14.033 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.144 -5.412 -12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.762 -4.799 -13.945 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.344 -4.447 -13.211 1.00 0.00 H new ATOM 114 N LEU A 10 -9.523 -8.326 -13.259 1.00 0.00 N ATOM 115 CA LEU A 10 -10.519 -9.024 -12.455 1.00 0.00 C ATOM 116 C LEU A 10 -10.057 -9.151 -11.004 1.00 0.00 C ATOM 117 O LEU A 10 -10.709 -8.645 -10.091 1.00 0.00 O ATOM 118 CB LEU A 10 -10.798 -10.411 -13.040 1.00 0.00 C ATOM 119 CG LEU A 10 -12.006 -10.486 -13.976 1.00 0.00 C ATOM 120 CD1 LEU A 10 -11.929 -11.731 -14.845 1.00 0.00 C ATOM 121 CD2 LEU A 10 -13.300 -10.470 -13.176 1.00 0.00 C ATOM 0 H LEU A 10 -9.132 -8.880 -14.021 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.439 -8.440 -12.473 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.914 -10.744 -13.584 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.949 -11.112 -12.219 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.994 -9.612 -14.627 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.796 -11.769 -15.505 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.019 -11.701 -15.444 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.917 -12.617 -14.211 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.149 -10.524 -13.857 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.321 -11.326 -12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.358 -9.549 -12.596 1.00 0.00 H new ATOM 133 N PRO A 11 -8.920 -9.831 -10.773 1.00 0.00 N ATOM 134 CA PRO A 11 -8.376 -10.021 -9.424 1.00 0.00 C ATOM 135 C PRO A 11 -7.820 -8.728 -8.837 1.00 0.00 C ATOM 136 O PRO A 11 -7.543 -7.773 -9.564 1.00 0.00 O ATOM 137 CB PRO A 11 -7.253 -11.039 -9.634 1.00 0.00 C ATOM 138 CG PRO A 11 -6.836 -10.855 -11.052 1.00 0.00 C ATOM 139 CD PRO A 11 -8.080 -10.468 -11.804 1.00 0.00 C ATOM 0 HA PRO A 11 -9.140 -10.349 -8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.423 -10.859 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.601 -12.056 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.073 -10.082 -11.137 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.406 -11.772 -11.454 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.858 -9.782 -12.621 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.571 -11.337 -12.242 1.00 0.00 H new ATOM 147 N ARG A 12 -7.658 -8.705 -7.518 1.00 0.00 N ATOM 148 CA ARG A 12 -7.134 -7.529 -6.832 1.00 0.00 C ATOM 149 C ARG A 12 -5.696 -7.762 -6.378 1.00 0.00 C ATOM 150 O ARG A 12 -5.049 -8.720 -6.801 1.00 0.00 O ATOM 151 CB ARG A 12 -8.018 -7.181 -5.632 1.00 0.00 C ATOM 152 CG ARG A 12 -8.739 -5.850 -5.774 1.00 0.00 C ATOM 153 CD ARG A 12 -8.750 -5.077 -4.464 1.00 0.00 C ATOM 154 NE ARG A 12 -8.915 -3.641 -4.678 1.00 0.00 N ATOM 155 CZ ARG A 12 -7.935 -2.835 -5.078 1.00 0.00 C ATOM 156 NH1 ARG A 12 -6.720 -3.318 -5.311 1.00 0.00 N ATOM 157 NH2 ARG A 12 -8.170 -1.541 -5.248 1.00 0.00 N ATOM 0 H ARG A 12 -7.882 -9.487 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.140 -6.693 -7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.756 -7.971 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.403 -7.157 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.253 -5.253 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.763 -6.024 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.559 -5.445 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.819 -5.259 -3.928 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.835 -3.233 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.534 -4.313 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.973 -2.694 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.101 -1.164 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.419 -0.922 -5.555 1.00 0.00 H new ATOM 171 N VAL A 13 -5.201 -6.880 -5.515 1.00 0.00 N ATOM 172 CA VAL A 13 -3.839 -6.990 -5.005 1.00 0.00 C ATOM 173 C VAL A 13 -3.592 -8.363 -4.384 1.00 0.00 C ATOM 174 O VAL A 13 -4.042 -8.646 -3.273 1.00 0.00 O ATOM 175 CB VAL A 13 -3.542 -5.897 -3.957 1.00 0.00 C ATOM 176 CG1 VAL A 13 -4.495 -6.010 -2.777 1.00 0.00 C ATOM 177 CG2 VAL A 13 -2.094 -5.974 -3.494 1.00 0.00 C ATOM 0 H VAL A 13 -5.723 -6.081 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.170 -6.857 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.696 -4.925 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.268 -5.230 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.521 -5.894 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.380 -6.987 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.906 -5.195 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.906 -6.950 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.431 -5.832 -4.348 1.00 0.00 H new ATOM 187 N THR A 14 -2.877 -9.214 -5.113 1.00 0.00 N ATOM 188 CA THR A 14 -2.570 -10.559 -4.640 1.00 0.00 C ATOM 189 C THR A 14 -1.369 -11.134 -5.386 1.00 0.00 C ATOM 190 O THR A 14 -0.759 -10.458 -6.214 1.00 0.00 O ATOM 191 CB THR A 14 -3.783 -11.473 -4.819 1.00 0.00 C ATOM 192 OG1 THR A 14 -4.464 -11.172 -6.024 1.00 0.00 O ATOM 193 CG2 THR A 14 -4.784 -11.369 -3.690 1.00 0.00 C ATOM 0 H THR A 14 -2.499 -8.995 -6.035 1.00 0.00 H new ATOM 0 HA THR A 14 -2.323 -10.500 -3.580 1.00 0.00 H new ATOM 0 HB THR A 14 -3.380 -12.486 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.879 -10.287 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.619 -12.043 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.303 -11.643 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.152 -10.345 -3.624 1.00 0.00 H new ATOM 201 N CYS A 15 -1.037 -12.386 -5.089 1.00 0.00 N ATOM 202 CA CYS A 15 0.090 -13.050 -5.732 1.00 0.00 C ATOM 203 C CYS A 15 -0.276 -13.495 -7.149 1.00 0.00 C ATOM 204 O CYS A 15 -1.280 -14.177 -7.350 1.00 0.00 O ATOM 205 CB CYS A 15 0.532 -14.259 -4.908 1.00 0.00 C ATOM 206 SG CYS A 15 2.119 -14.960 -5.417 1.00 0.00 S ATOM 0 H CYS A 15 -1.532 -12.961 -4.407 1.00 0.00 H new ATOM 0 HA CYS A 15 0.913 -12.338 -5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.596 -13.967 -3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.233 -15.032 -4.978 1.00 0.00 H new ATOM 211 N PRO A 16 0.534 -13.114 -8.155 1.00 0.00 N ATOM 212 CA PRO A 16 0.279 -13.482 -9.553 1.00 0.00 C ATOM 213 C PRO A 16 0.202 -14.993 -9.754 1.00 0.00 C ATOM 214 O PRO A 16 -0.441 -15.471 -10.689 1.00 0.00 O ATOM 215 CB PRO A 16 1.486 -12.910 -10.306 1.00 0.00 C ATOM 216 CG PRO A 16 2.023 -11.841 -9.419 1.00 0.00 C ATOM 217 CD PRO A 16 1.754 -12.298 -8.015 1.00 0.00 C ATOM 0 HA PRO A 16 -0.680 -13.096 -9.900 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.235 -13.680 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.192 -12.508 -11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.090 -11.696 -9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.536 -10.886 -9.619 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.584 -12.880 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.600 -11.456 -7.340 1.00 0.00 H new ATOM 225 N ASN A 17 0.861 -15.741 -8.874 1.00 0.00 N ATOM 226 CA ASN A 17 0.868 -17.198 -8.962 1.00 0.00 C ATOM 227 C ASN A 17 0.041 -17.826 -7.841 1.00 0.00 C ATOM 228 O ASN A 17 -0.387 -18.976 -7.947 1.00 0.00 O ATOM 229 CB ASN A 17 2.306 -17.724 -8.911 1.00 0.00 C ATOM 230 CG ASN A 17 2.777 -18.247 -10.253 1.00 0.00 C ATOM 231 OD1 ASN A 17 1.971 -18.535 -11.139 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.090 -18.375 -10.411 1.00 0.00 N ATOM 0 H ASN A 17 1.397 -15.363 -8.093 1.00 0.00 H new ATOM 0 HA ASN A 17 0.416 -17.479 -9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.971 -16.925 -8.582 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.373 -18.520 -8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.466 -18.724 -11.293 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.722 -18.125 -9.651 1.00 0.00 H new ATOM 239 N HIS A 18 -0.181 -17.069 -6.770 1.00 0.00 N ATOM 240 CA HIS A 18 -0.957 -17.561 -5.637 1.00 0.00 C ATOM 241 C HIS A 18 -2.171 -16.671 -5.383 1.00 0.00 C ATOM 242 O HIS A 18 -2.198 -15.901 -4.422 1.00 0.00 O ATOM 243 CB HIS A 18 -0.083 -17.632 -4.382 1.00 0.00 C ATOM 244 CG HIS A 18 1.080 -18.564 -4.518 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.369 -18.145 -4.274 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.093 -19.869 -4.881 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.131 -19.207 -4.498 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.401 -20.270 -4.866 1.00 0.00 N ATOM 0 H HIS A 18 0.165 -16.115 -6.663 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.310 -18.564 -5.877 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.287 -16.633 -4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.696 -17.949 -3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.236 -20.476 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.206 -19.215 -4.397 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.754 -21.200 -5.092 1.00 0.00 H new ATOM 256 N PRO A 19 -3.197 -16.765 -6.247 1.00 0.00 N ATOM 257 CA PRO A 19 -4.420 -15.965 -6.112 1.00 0.00 C ATOM 258 C PRO A 19 -5.224 -16.348 -4.875 1.00 0.00 C ATOM 259 O PRO A 19 -5.792 -15.489 -4.201 1.00 0.00 O ATOM 260 CB PRO A 19 -5.205 -16.290 -7.385 1.00 0.00 C ATOM 261 CG PRO A 19 -4.695 -17.620 -7.820 1.00 0.00 C ATOM 262 CD PRO A 19 -3.248 -17.658 -7.418 1.00 0.00 C ATOM 0 HA PRO A 19 -4.202 -14.904 -5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.277 -16.322 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.043 -15.534 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.254 -18.427 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.805 -17.747 -8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.927 -18.669 -7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.599 -17.307 -8.220 1.00 0.00 H new ATOM 270 N ASP A 20 -5.267 -17.643 -4.581 1.00 0.00 N ATOM 271 CA ASP A 20 -5.999 -18.140 -3.422 1.00 0.00 C ATOM 272 C ASP A 20 -5.450 -17.531 -2.135 1.00 0.00 C ATOM 273 O ASP A 20 -6.187 -17.318 -1.173 1.00 0.00 O ATOM 274 CB ASP A 20 -5.916 -19.665 -3.354 1.00 0.00 C ATOM 275 CG ASP A 20 -7.145 -20.283 -2.716 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.569 -19.794 -1.647 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.685 -21.255 -3.286 1.00 0.00 O ATOM 0 H ASP A 20 -4.804 -18.367 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.043 -17.846 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.793 -20.065 -4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.031 -19.953 -2.786 1.00 0.00 H new ATOM 282 N ALA A 21 -4.150 -17.252 -2.129 1.00 0.00 N ATOM 283 CA ALA A 21 -3.499 -16.665 -0.965 1.00 0.00 C ATOM 284 C ALA A 21 -3.295 -15.165 -1.152 1.00 0.00 C ATOM 285 O ALA A 21 -2.812 -14.720 -2.193 1.00 0.00 O ATOM 286 CB ALA A 21 -2.169 -17.353 -0.702 1.00 0.00 C ATOM 0 H ALA A 21 -3.527 -17.424 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.147 -16.813 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.694 -16.904 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.338 -18.414 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.520 -17.235 -1.570 1.00 0.00 H new ATOM 292 N ILE A 22 -3.668 -14.392 -0.140 1.00 0.00 N ATOM 293 CA ILE A 22 -3.529 -12.942 -0.195 1.00 0.00 C ATOM 294 C ILE A 22 -2.339 -12.470 0.635 1.00 0.00 C ATOM 295 O ILE A 22 -2.142 -12.918 1.765 1.00 0.00 O ATOM 296 CB ILE A 22 -4.805 -12.237 0.307 1.00 0.00 C ATOM 297 CG1 ILE A 22 -6.038 -12.789 -0.412 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.696 -10.733 0.106 1.00 0.00 C ATOM 299 CD1 ILE A 22 -7.219 -13.022 0.506 1.00 0.00 C ATOM 0 H ILE A 22 -4.069 -14.745 0.729 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.364 -12.679 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.913 -12.433 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.331 -12.094 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.775 -13.728 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.605 -10.251 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.839 -10.353 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.565 -10.516 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.057 -13.413 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.943 -13.740 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.508 -12.080 0.973 1.00 0.00 H new ATOM 311 N LEU A 23 -1.552 -11.561 0.068 1.00 0.00 N ATOM 312 CA LEU A 23 -0.383 -11.024 0.757 1.00 0.00 C ATOM 313 C LEU A 23 -0.781 -10.410 2.097 1.00 0.00 C ATOM 314 O LEU A 23 -1.479 -9.397 2.145 1.00 0.00 O ATOM 315 CB LEU A 23 0.307 -9.974 -0.114 1.00 0.00 C ATOM 316 CG LEU A 23 1.408 -10.520 -1.022 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.805 -11.254 -2.209 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.316 -9.395 -1.495 1.00 0.00 C ATOM 0 H LEU A 23 -1.702 -11.181 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 23 0.311 -11.844 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.445 -9.484 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.735 -9.209 0.534 1.00 0.00 H new ATOM 0 HG LEU A 23 2.007 -11.227 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.604 -11.636 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.197 -12.085 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.182 -10.568 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.094 -9.802 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.730 -8.663 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.776 -8.912 -0.633 1.00 0.00 H new ATOM 330 N VAL A 24 -0.337 -11.034 3.183 1.00 0.00 N ATOM 331 CA VAL A 24 -0.652 -10.553 4.524 1.00 0.00 C ATOM 332 C VAL A 24 0.280 -9.419 4.936 1.00 0.00 C ATOM 333 O VAL A 24 1.364 -9.260 4.377 1.00 0.00 O ATOM 334 CB VAL A 24 -0.556 -11.683 5.567 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.132 -11.231 6.899 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.261 -12.937 5.068 1.00 0.00 C ATOM 0 H VAL A 24 0.242 -11.874 3.161 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.677 -10.185 4.492 1.00 0.00 H new ATOM 0 HB VAL A 24 0.496 -11.924 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.055 -12.042 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.575 -10.367 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.179 -10.959 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.181 -13.723 5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.312 -12.715 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.795 -13.272 4.142 1.00 0.00 H new ATOM 346 N GLU A 25 -0.148 -8.634 5.917 1.00 0.00 N ATOM 347 CA GLU A 25 0.650 -7.515 6.404 1.00 0.00 C ATOM 348 C GLU A 25 1.774 -8.004 7.312 1.00 0.00 C ATOM 349 O GLU A 25 1.614 -8.982 8.042 1.00 0.00 O ATOM 350 CB GLU A 25 -0.235 -6.520 7.157 1.00 0.00 C ATOM 351 CG GLU A 25 -1.048 -5.618 6.243 1.00 0.00 C ATOM 352 CD GLU A 25 -2.499 -5.510 6.670 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.748 -5.186 7.850 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.386 -5.750 5.824 1.00 0.00 O ATOM 0 H GLU A 25 -1.043 -8.751 6.391 1.00 0.00 H new ATOM 0 HA GLU A 25 1.094 -7.015 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.914 -7.071 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.392 -5.902 7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.602 -4.623 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.001 -6.002 5.224 1.00 0.00 H new ATOM 361 N ASP A 26 2.910 -7.318 7.262 1.00 0.00 N ATOM 362 CA ASP A 26 4.061 -7.683 8.080 1.00 0.00 C ATOM 363 C ASP A 26 3.798 -7.380 9.551 1.00 0.00 C ATOM 364 O ASP A 26 3.775 -8.284 10.386 1.00 0.00 O ATOM 365 CB ASP A 26 5.308 -6.934 7.606 1.00 0.00 C ATOM 366 CG ASP A 26 6.546 -7.808 7.618 1.00 0.00 C ATOM 367 OD1 ASP A 26 6.653 -8.699 6.749 1.00 0.00 O ATOM 368 OD2 ASP A 26 7.411 -7.600 8.495 1.00 0.00 O ATOM 0 H ASP A 26 3.059 -6.506 6.663 1.00 0.00 H new ATOM 0 HA ASP A 26 4.228 -8.755 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.141 -6.559 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.473 -6.067 8.245 1.00 0.00 H new ATOM 373 N TYR A 27 3.600 -6.103 9.862 1.00 0.00 N ATOM 374 CA TYR A 27 3.339 -5.682 11.233 1.00 0.00 C ATOM 375 C TYR A 27 2.684 -4.303 11.263 1.00 0.00 C ATOM 376 O TYR A 27 3.156 -3.394 11.946 1.00 0.00 O ATOM 377 CB TYR A 27 4.637 -5.663 12.040 1.00 0.00 C ATOM 378 CG TYR A 27 5.739 -4.848 11.400 1.00 0.00 C ATOM 379 CD1 TYR A 27 6.571 -5.404 10.437 1.00 0.00 C ATOM 380 CD2 TYR A 27 5.946 -3.522 11.760 1.00 0.00 C ATOM 381 CE1 TYR A 27 7.578 -4.663 9.850 1.00 0.00 C ATOM 382 CE2 TYR A 27 6.951 -2.774 11.177 1.00 0.00 C ATOM 383 CZ TYR A 27 7.764 -3.348 10.224 1.00 0.00 C ATOM 384 OH TYR A 27 8.766 -2.606 9.642 1.00 0.00 O ATOM 0 H TYR A 27 3.615 -5.342 9.183 1.00 0.00 H new ATOM 0 HA TYR A 27 2.653 -6.400 11.683 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.431 -5.263 13.033 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.986 -6.687 12.175 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.428 -6.433 10.142 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.311 -3.069 12.507 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.216 -5.110 9.102 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.099 -1.744 11.467 1.00 0.00 H new ATOM 0 HH TYR A 27 8.761 -1.700 10.016 1.00 0.00 H new ATOM 394 N ARG A 28 1.593 -4.156 10.517 1.00 0.00 N ATOM 395 CA ARG A 28 0.871 -2.888 10.457 1.00 0.00 C ATOM 396 C ARG A 28 1.760 -1.769 9.935 1.00 0.00 C ATOM 397 O ARG A 28 1.495 -0.588 10.160 1.00 0.00 O ATOM 398 CB ARG A 28 0.346 -2.519 11.836 1.00 0.00 C ATOM 399 CG ARG A 28 -0.846 -3.351 12.282 1.00 0.00 C ATOM 400 CD ARG A 28 -2.068 -3.083 11.419 1.00 0.00 C ATOM 401 NE ARG A 28 -2.755 -4.317 11.045 1.00 0.00 N ATOM 402 CZ ARG A 28 -3.974 -4.355 10.513 1.00 0.00 C ATOM 403 NH1 ARG A 28 -4.644 -3.231 10.290 1.00 0.00 N ATOM 404 NH2 ARG A 28 -4.525 -5.520 10.201 1.00 0.00 N ATOM 0 H ARG A 28 1.189 -4.898 9.946 1.00 0.00 H new ATOM 0 HA ARG A 28 0.035 -3.013 9.768 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.150 -2.634 12.563 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.063 -1.466 11.837 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.590 -4.410 12.234 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.078 -3.126 13.323 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.757 -2.433 11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.766 -2.549 10.518 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.272 -5.202 11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.225 -2.332 10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.578 -3.267 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.014 -6.387 10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.459 -5.549 9.793 1.00 0.00 H new ATOM 418 N ALA A 29 2.810 -2.156 9.239 1.00 0.00 N ATOM 419 CA ALA A 29 3.754 -1.202 8.673 1.00 0.00 C ATOM 420 C ALA A 29 3.351 -0.806 7.256 1.00 0.00 C ATOM 421 O ALA A 29 3.589 0.323 6.825 1.00 0.00 O ATOM 422 CB ALA A 29 5.161 -1.783 8.684 1.00 0.00 C ATOM 0 H ALA A 29 3.036 -3.132 9.048 1.00 0.00 H new ATOM 0 HA ALA A 29 3.740 -0.303 9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.857 -1.060 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.454 -2.008 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.181 -2.698 8.092 1.00 0.00 H new ATOM 428 N GLY A 30 2.740 -1.741 6.538 1.00 0.00 N ATOM 429 CA GLY A 30 2.313 -1.470 5.177 1.00 0.00 C ATOM 430 C GLY A 30 2.707 -2.571 4.213 1.00 0.00 C ATOM 431 O GLY A 30 1.872 -3.079 3.464 1.00 0.00 O ATOM 0 H GLY A 30 2.532 -2.682 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.230 -1.345 5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.748 -0.528 4.844 1.00 0.00 H new ATOM 435 N ASP A 31 3.983 -2.941 4.229 1.00 0.00 N ATOM 436 CA ASP A 31 4.488 -3.987 3.348 1.00 0.00 C ATOM 437 C ASP A 31 3.787 -5.314 3.619 1.00 0.00 C ATOM 438 O ASP A 31 3.636 -5.724 4.771 1.00 0.00 O ATOM 439 CB ASP A 31 5.998 -4.150 3.527 1.00 0.00 C ATOM 440 CG ASP A 31 6.787 -3.100 2.770 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.452 -1.902 2.894 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.738 -3.474 2.053 1.00 0.00 O ATOM 0 H ASP A 31 4.687 -2.531 4.843 1.00 0.00 H new ATOM 0 HA ASP A 31 4.281 -3.691 2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.244 -4.091 4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.297 -5.141 3.185 1.00 0.00 H new ATOM 447 N MET A 32 3.363 -5.983 2.552 1.00 0.00 N ATOM 448 CA MET A 32 2.679 -7.265 2.674 1.00 0.00 C ATOM 449 C MET A 32 3.557 -8.398 2.152 1.00 0.00 C ATOM 450 O MET A 32 4.597 -8.158 1.539 1.00 0.00 O ATOM 451 CB MET A 32 1.353 -7.236 1.910 1.00 0.00 C ATOM 452 CG MET A 32 0.510 -6.004 2.199 1.00 0.00 C ATOM 453 SD MET A 32 -0.330 -5.378 0.732 1.00 0.00 S ATOM 454 CE MET A 32 -2.027 -5.813 1.101 1.00 0.00 C ATOM 0 H MET A 32 3.481 -5.658 1.592 1.00 0.00 H new ATOM 0 HA MET A 32 2.475 -7.442 3.730 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.559 -7.282 0.841 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.778 -8.127 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.230 -6.246 2.962 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.147 -5.221 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.671 -5.490 0.283 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.108 -6.893 1.221 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.336 -5.321 2.023 1.00 0.00 H new ATOM 464 N ILE A 33 3.133 -9.634 2.398 1.00 0.00 N ATOM 465 CA ILE A 33 3.884 -10.800 1.950 1.00 0.00 C ATOM 466 C ILE A 33 2.958 -11.991 1.701 1.00 0.00 C ATOM 467 O ILE A 33 1.973 -12.178 2.414 1.00 0.00 O ATOM 468 CB ILE A 33 4.964 -11.198 2.979 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.836 -12.335 2.437 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.319 -11.598 4.299 1.00 0.00 C ATOM 471 CD1 ILE A 33 7.285 -11.944 2.242 1.00 0.00 C ATOM 0 H ILE A 33 2.275 -9.853 2.904 1.00 0.00 H new ATOM 0 HA ILE A 33 4.370 -10.527 1.014 1.00 0.00 H new ATOM 0 HB ILE A 33 5.605 -10.334 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.785 -13.180 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.428 -12.673 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.094 -11.876 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.746 -10.759 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.654 -12.447 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.843 -12.797 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.347 -11.119 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.710 -11.634 3.197 1.00 0.00 H new ATOM 483 N CYS A 34 3.278 -12.791 0.686 1.00 0.00 N ATOM 484 CA CYS A 34 2.470 -13.957 0.350 1.00 0.00 C ATOM 485 C CYS A 34 2.933 -15.174 1.150 1.00 0.00 C ATOM 486 O CYS A 34 4.042 -15.665 0.954 1.00 0.00 O ATOM 487 CB CYS A 34 2.574 -14.225 -1.153 1.00 0.00 C ATOM 488 SG CYS A 34 1.857 -15.788 -1.717 1.00 0.00 S ATOM 0 H CYS A 34 4.090 -12.652 0.084 1.00 0.00 H new ATOM 0 HA CYS A 34 1.428 -13.764 0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.085 -13.408 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.626 -14.205 -1.436 1.00 0.00 H new ATOM 493 N PRO A 35 2.091 -15.678 2.073 1.00 0.00 N ATOM 494 CA PRO A 35 2.439 -16.837 2.901 1.00 0.00 C ATOM 495 C PRO A 35 2.805 -18.059 2.066 1.00 0.00 C ATOM 496 O PRO A 35 3.491 -18.963 2.541 1.00 0.00 O ATOM 497 CB PRO A 35 1.168 -17.106 3.720 1.00 0.00 C ATOM 498 CG PRO A 35 0.084 -16.346 3.033 1.00 0.00 C ATOM 499 CD PRO A 35 0.749 -15.165 2.390 1.00 0.00 C ATOM 0 HA PRO A 35 3.316 -16.639 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.940 -18.171 3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.288 -16.774 4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.415 -16.966 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.678 -16.025 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.219 -14.840 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.792 -14.309 3.063 1.00 0.00 H new ATOM 507 N GLU A 36 2.350 -18.080 0.817 1.00 0.00 N ATOM 508 CA GLU A 36 2.639 -19.192 -0.077 1.00 0.00 C ATOM 509 C GLU A 36 4.112 -19.193 -0.477 1.00 0.00 C ATOM 510 O GLU A 36 4.884 -20.039 -0.024 1.00 0.00 O ATOM 511 CB GLU A 36 1.753 -19.119 -1.321 1.00 0.00 C ATOM 512 CG GLU A 36 0.973 -20.397 -1.588 1.00 0.00 C ATOM 513 CD GLU A 36 0.000 -20.729 -0.473 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.984 -19.979 -0.301 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.223 -21.739 0.228 1.00 0.00 O ATOM 0 H GLU A 36 1.781 -17.341 0.403 1.00 0.00 H new ATOM 0 HA GLU A 36 2.425 -20.121 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.052 -18.292 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.375 -18.895 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.425 -20.295 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.671 -21.225 -1.715 1.00 0.00 H new ATOM 522 N CYS A 37 4.502 -18.238 -1.319 1.00 0.00 N ATOM 523 CA CYS A 37 5.888 -18.140 -1.761 1.00 0.00 C ATOM 524 C CYS A 37 6.707 -17.298 -0.791 1.00 0.00 C ATOM 525 O CYS A 37 7.818 -17.670 -0.414 1.00 0.00 O ATOM 526 CB CYS A 37 5.983 -17.541 -3.169 1.00 0.00 C ATOM 527 SG CYS A 37 5.154 -15.951 -3.384 1.00 0.00 S ATOM 0 H CYS A 37 3.882 -17.527 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 37 6.293 -19.152 -1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.036 -17.422 -3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.560 -18.252 -3.879 1.00 0.00 H new ATOM 532 N GLY A 38 6.150 -16.162 -0.391 1.00 0.00 N ATOM 533 CA GLY A 38 6.842 -15.285 0.532 1.00 0.00 C ATOM 534 C GLY A 38 7.480 -14.101 -0.165 1.00 0.00 C ATOM 535 O GLY A 38 8.673 -13.845 0.001 1.00 0.00 O ATOM 0 H GLY A 38 5.232 -15.833 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.139 -14.925 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.611 -15.850 1.059 1.00 0.00 H new ATOM 539 N LEU A 39 6.684 -13.371 -0.940 1.00 0.00 N ATOM 540 CA LEU A 39 7.186 -12.201 -1.653 1.00 0.00 C ATOM 541 C LEU A 39 6.711 -10.929 -0.968 1.00 0.00 C ATOM 542 O LEU A 39 5.852 -10.980 -0.094 1.00 0.00 O ATOM 543 CB LEU A 39 6.752 -12.233 -3.125 1.00 0.00 C ATOM 544 CG LEU A 39 5.327 -11.745 -3.416 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.352 -10.589 -4.403 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.471 -12.882 -3.954 1.00 0.00 C ATOM 0 H LEU A 39 5.694 -13.567 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 39 8.276 -12.217 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.448 -11.624 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.846 -13.256 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 39 4.887 -11.395 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.333 -10.255 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.930 -9.765 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.811 -10.917 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.464 -12.516 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.909 -13.262 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.426 -13.684 -3.217 1.00 0.00 H new ATOM 558 N VAL A 40 7.282 -9.793 -1.347 1.00 0.00 N ATOM 559 CA VAL A 40 6.909 -8.524 -0.734 1.00 0.00 C ATOM 560 C VAL A 40 6.344 -7.542 -1.755 1.00 0.00 C ATOM 561 O VAL A 40 7.027 -7.147 -2.701 1.00 0.00 O ATOM 562 CB VAL A 40 8.110 -7.869 -0.027 1.00 0.00 C ATOM 563 CG1 VAL A 40 7.663 -6.665 0.786 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.828 -8.880 0.854 1.00 0.00 C ATOM 0 H VAL A 40 7.999 -9.723 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 40 6.136 -8.755 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 40 8.809 -7.523 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.527 -6.217 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.200 -5.932 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.941 -6.982 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.674 -8.399 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.139 -9.260 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.187 -9.707 0.241 1.00 0.00 H new ATOM 574 N VAL A 41 5.094 -7.144 -1.545 1.00 0.00 N ATOM 575 CA VAL A 41 4.428 -6.196 -2.431 1.00 0.00 C ATOM 576 C VAL A 41 3.852 -5.025 -1.641 1.00 0.00 C ATOM 577 O VAL A 41 3.143 -5.221 -0.653 1.00 0.00 O ATOM 578 CB VAL A 41 3.293 -6.863 -3.231 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.713 -5.893 -4.249 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.791 -8.126 -3.912 1.00 0.00 C ATOM 0 H VAL A 41 4.519 -7.465 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 41 5.184 -5.834 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 41 2.500 -7.141 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.913 -6.383 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.315 -5.019 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.495 -5.580 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.975 -8.583 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.604 -7.875 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.152 -8.827 -3.159 1.00 0.00 H new ATOM 590 N GLY A 42 4.159 -3.810 -2.080 1.00 0.00 N ATOM 591 CA GLY A 42 3.660 -2.628 -1.402 1.00 0.00 C ATOM 592 C GLY A 42 4.715 -1.961 -0.542 1.00 0.00 C ATOM 593 O GLY A 42 4.500 -1.727 0.648 1.00 0.00 O ATOM 0 H GLY A 42 4.745 -3.622 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.296 -1.915 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.809 -2.903 -0.779 1.00 0.00 H new ATOM 597 N ASP A 43 5.858 -1.652 -1.145 1.00 0.00 N ATOM 598 CA ASP A 43 6.950 -1.005 -0.426 1.00 0.00 C ATOM 599 C ASP A 43 6.958 0.498 -0.691 1.00 0.00 C ATOM 600 O ASP A 43 7.078 0.935 -1.836 1.00 0.00 O ATOM 601 CB ASP A 43 8.291 -1.614 -0.838 1.00 0.00 C ATOM 602 CG ASP A 43 8.537 -1.517 -2.330 1.00 0.00 C ATOM 603 OD1 ASP A 43 7.579 -1.727 -3.105 1.00 0.00 O ATOM 604 OD2 ASP A 43 9.686 -1.230 -2.726 1.00 0.00 O ATOM 0 H ASP A 43 6.052 -1.839 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 43 6.798 -1.168 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.096 -1.106 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.320 -2.661 -0.535 1.00 0.00 H new ATOM 609 N ARG A 44 6.828 1.283 0.374 1.00 0.00 N ATOM 610 CA ARG A 44 6.819 2.736 0.254 1.00 0.00 C ATOM 611 C ARG A 44 5.634 3.204 -0.586 1.00 0.00 C ATOM 612 O ARG A 44 4.858 2.391 -1.088 1.00 0.00 O ATOM 613 CB ARG A 44 8.130 3.227 -0.367 1.00 0.00 C ATOM 614 CG ARG A 44 8.965 4.081 0.573 1.00 0.00 C ATOM 615 CD ARG A 44 8.786 5.565 0.289 1.00 0.00 C ATOM 616 NE ARG A 44 8.993 5.880 -1.122 1.00 0.00 N ATOM 617 CZ ARG A 44 8.560 6.997 -1.704 1.00 0.00 C ATOM 618 NH1 ARG A 44 7.898 7.907 -1.000 1.00 0.00 N ATOM 619 NH2 ARG A 44 8.792 7.205 -2.992 1.00 0.00 N ATOM 0 H ARG A 44 6.728 0.937 1.328 1.00 0.00 H new ATOM 0 HA ARG A 44 6.721 3.159 1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.719 2.365 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.904 3.803 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.682 3.871 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.017 3.814 0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.783 5.873 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.488 6.138 0.895 1.00 0.00 H new ATOM 0 HE ARG A 44 9.499 5.205 -1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.718 7.753 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.569 8.761 -1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.302 6.510 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.461 8.060 -3.438 1.00 0.00 H new ATOM 633 N VAL A 45 5.501 4.518 -0.735 1.00 0.00 N ATOM 634 CA VAL A 45 4.411 5.092 -1.515 1.00 0.00 C ATOM 635 C VAL A 45 4.689 4.979 -3.010 1.00 0.00 C ATOM 636 O VAL A 45 5.830 5.116 -3.451 1.00 0.00 O ATOM 637 CB VAL A 45 4.179 6.573 -1.156 1.00 0.00 C ATOM 638 CG1 VAL A 45 2.940 7.105 -1.860 1.00 0.00 C ATOM 639 CG2 VAL A 45 4.062 6.747 0.350 1.00 0.00 C ATOM 0 H VAL A 45 6.134 5.205 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 45 3.513 4.524 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 45 5.039 7.149 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.792 8.152 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.069 7.019 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.069 6.526 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.899 7.799 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.222 6.159 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.981 6.408 0.828 1.00 0.00 H new ATOM 649 N ILE A 46 3.639 4.730 -3.785 1.00 0.00 N ATOM 650 CA ILE A 46 3.770 4.598 -5.231 1.00 0.00 C ATOM 651 C ILE A 46 2.799 5.525 -5.957 1.00 0.00 C ATOM 652 O ILE A 46 2.072 5.103 -6.856 1.00 0.00 O ATOM 653 CB ILE A 46 3.520 3.147 -5.688 1.00 0.00 C ATOM 654 CG1 ILE A 46 4.324 2.169 -4.825 1.00 0.00 C ATOM 655 CG2 ILE A 46 3.877 2.986 -7.158 1.00 0.00 C ATOM 656 CD1 ILE A 46 3.460 1.193 -4.055 1.00 0.00 C ATOM 0 H ILE A 46 2.688 4.616 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 46 4.793 4.878 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 46 2.461 2.921 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.008 1.611 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.935 2.735 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.695 1.956 -7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.263 3.658 -7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.929 3.228 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.095 0.531 -3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.794 1.743 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.868 0.601 -4.754 1.00 0.00 H new ATOM 668 N ASP A 47 2.794 6.794 -5.560 1.00 0.00 N ATOM 669 CA ASP A 47 1.913 7.781 -6.174 1.00 0.00 C ATOM 670 C ASP A 47 2.700 8.725 -7.079 1.00 0.00 C ATOM 671 O ASP A 47 2.887 9.899 -6.758 1.00 0.00 O ATOM 672 CB ASP A 47 1.178 8.580 -5.095 1.00 0.00 C ATOM 673 CG ASP A 47 -0.176 7.985 -4.758 1.00 0.00 C ATOM 674 OD1 ASP A 47 -0.943 7.685 -5.697 1.00 0.00 O ATOM 675 OD2 ASP A 47 -0.468 7.819 -3.555 1.00 0.00 O ATOM 0 H ASP A 47 3.389 7.162 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 47 1.182 7.250 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.790 8.617 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.046 9.608 -5.434 1.00 0.00 H new ATOM 680 N VAL A 48 3.158 8.202 -8.212 1.00 0.00 N ATOM 681 CA VAL A 48 3.923 8.993 -9.164 1.00 0.00 C ATOM 682 C VAL A 48 3.040 9.473 -10.312 1.00 0.00 C ATOM 683 O VAL A 48 2.723 8.711 -11.225 1.00 0.00 O ATOM 684 CB VAL A 48 5.105 8.193 -9.744 1.00 0.00 C ATOM 685 CG1 VAL A 48 6.315 8.284 -8.827 1.00 0.00 C ATOM 686 CG2 VAL A 48 4.718 6.740 -9.984 1.00 0.00 C ATOM 0 H VAL A 48 3.011 7.232 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 48 4.311 9.853 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 48 5.369 8.632 -10.706 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.139 7.713 -9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.613 9.327 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.061 7.878 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.571 6.199 -10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.417 6.283 -9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.888 6.696 -10.689 1.00 0.00 H new ATOM 696 N GLY A 49 2.645 10.741 -10.257 1.00 0.00 N ATOM 697 CA GLY A 49 1.801 11.299 -11.298 1.00 0.00 C ATOM 698 C GLY A 49 0.449 10.619 -11.373 1.00 0.00 C ATOM 699 O GLY A 49 0.143 9.939 -12.353 1.00 0.00 O ATOM 0 H GLY A 49 2.894 11.391 -9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.659 12.364 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.305 11.205 -12.260 1.00 0.00 H new ATOM 703 N SER A 50 -0.362 10.803 -10.337 1.00 0.00 N ATOM 704 CA SER A 50 -1.690 10.201 -10.289 1.00 0.00 C ATOM 705 C SER A 50 -2.669 10.969 -11.170 1.00 0.00 C ATOM 706 O SER A 50 -3.451 11.784 -10.681 1.00 0.00 O ATOM 707 CB SER A 50 -2.203 10.162 -8.848 1.00 0.00 C ATOM 708 OG SER A 50 -2.137 11.444 -8.248 1.00 0.00 O ATOM 0 H SER A 50 -0.123 11.364 -9.519 1.00 0.00 H new ATOM 0 HA SER A 50 -1.613 9.182 -10.668 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.232 9.803 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.611 9.454 -8.267 1.00 0.00 H new ATOM 0 HG SER A 50 -2.604 12.094 -8.814 1.00 0.00 H new ATOM 714 N GLU A 51 -2.622 10.702 -12.470 1.00 0.00 N ATOM 715 CA GLU A 51 -3.507 11.366 -13.421 1.00 0.00 C ATOM 716 C GLU A 51 -4.502 10.378 -14.017 1.00 0.00 C ATOM 717 O GLU A 51 -5.685 10.389 -13.679 1.00 0.00 O ATOM 718 CB GLU A 51 -2.692 12.026 -14.535 1.00 0.00 C ATOM 719 CG GLU A 51 -2.024 13.323 -14.114 1.00 0.00 C ATOM 720 CD GLU A 51 -2.117 14.400 -15.179 1.00 0.00 C ATOM 721 OE1 GLU A 51 -1.341 14.338 -16.154 1.00 0.00 O ATOM 722 OE2 GLU A 51 -2.966 15.304 -15.034 1.00 0.00 O ATOM 0 H GLU A 51 -1.980 10.030 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.064 12.135 -12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.928 11.328 -14.877 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.346 12.223 -15.384 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.487 13.684 -13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.975 13.130 -13.888 1.00 0.00 H new ATOM 729 N TRP A 52 -4.011 9.526 -14.906 1.00 0.00 N ATOM 730 CA TRP A 52 -4.850 8.525 -15.555 1.00 0.00 C ATOM 731 C TRP A 52 -4.593 7.139 -14.973 1.00 0.00 C ATOM 732 O TRP A 52 -3.449 6.767 -14.711 1.00 0.00 O ATOM 733 CB TRP A 52 -4.593 8.514 -17.063 1.00 0.00 C ATOM 734 CG TRP A 52 -5.612 7.730 -17.833 1.00 0.00 C ATOM 735 CD1 TRP A 52 -5.642 6.377 -18.010 1.00 0.00 C ATOM 736 CD2 TRP A 52 -6.748 8.252 -18.531 1.00 0.00 C ATOM 737 NE1 TRP A 52 -6.728 6.026 -18.775 1.00 0.00 N ATOM 738 CE2 TRP A 52 -7.423 7.160 -19.107 1.00 0.00 C ATOM 739 CE3 TRP A 52 -7.262 9.538 -18.723 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -8.583 7.314 -19.862 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -8.413 9.690 -19.472 1.00 0.00 C ATOM 742 CH2 TRP A 52 -9.063 8.584 -20.034 1.00 0.00 C ATOM 0 H TRP A 52 -3.033 9.507 -15.196 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.892 8.788 -15.373 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.581 9.540 -17.430 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.604 8.096 -17.253 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.918 5.684 -17.608 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.977 5.076 -19.051 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -6.768 10.397 -18.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -9.086 6.462 -20.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -8.819 10.679 -19.627 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.961 8.736 -20.615 1.00 0.00 H new ATOM 753 N ARG A 53 -5.664 6.379 -14.774 1.00 0.00 N ATOM 754 CA ARG A 53 -5.556 5.032 -14.223 1.00 0.00 C ATOM 755 C ARG A 53 -6.296 4.026 -15.099 1.00 0.00 C ATOM 756 O ARG A 53 -7.039 4.406 -16.004 1.00 0.00 O ATOM 757 CB ARG A 53 -6.114 4.995 -12.798 1.00 0.00 C ATOM 758 CG ARG A 53 -5.280 4.161 -11.840 1.00 0.00 C ATOM 759 CD ARG A 53 -5.908 4.111 -10.455 1.00 0.00 C ATOM 760 NE ARG A 53 -6.774 2.947 -10.288 1.00 0.00 N ATOM 761 CZ ARG A 53 -6.339 1.689 -10.302 1.00 0.00 C ATOM 762 NH1 ARG A 53 -5.050 1.427 -10.479 1.00 0.00 N ATOM 763 NH2 ARG A 53 -7.195 0.690 -10.138 1.00 0.00 N ATOM 0 H ARG A 53 -6.618 6.672 -14.986 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.501 4.759 -14.199 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.181 6.014 -12.416 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.129 4.597 -12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.177 3.149 -12.231 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.276 4.579 -11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.121 4.089 -9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.486 5.020 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.772 3.108 -10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.387 2.192 -10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.723 0.461 -10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.187 0.885 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.862 -0.274 -10.149 1.00 0.00 H new ATOM 777 N THR A 54 -6.085 2.743 -14.826 1.00 0.00 N ATOM 778 CA THR A 54 -6.732 1.683 -15.591 1.00 0.00 C ATOM 779 C THR A 54 -8.190 1.521 -15.172 1.00 0.00 C ATOM 780 O THR A 54 -9.050 1.198 -15.991 1.00 0.00 O ATOM 781 CB THR A 54 -5.987 0.361 -15.403 1.00 0.00 C ATOM 782 OG1 THR A 54 -5.553 0.215 -14.064 1.00 0.00 O ATOM 783 CG2 THR A 54 -4.772 0.227 -16.298 1.00 0.00 C ATOM 0 H THR A 54 -5.472 2.412 -14.081 1.00 0.00 H new ATOM 0 HA THR A 54 -6.704 1.962 -16.644 1.00 0.00 H new ATOM 0 HB THR A 54 -6.704 -0.415 -15.671 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.080 -0.638 -13.964 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.289 -0.733 -16.115 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.081 0.285 -17.342 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.071 1.033 -16.082 1.00 0.00 H new ATOM 791 N PHE A 55 -8.460 1.748 -13.890 1.00 0.00 N ATOM 792 CA PHE A 55 -9.814 1.629 -13.362 1.00 0.00 C ATOM 793 C PHE A 55 -10.542 2.967 -13.419 1.00 0.00 C ATOM 794 O PHE A 55 -9.942 4.021 -13.200 1.00 0.00 O ATOM 795 CB PHE A 55 -9.777 1.116 -11.921 1.00 0.00 C ATOM 796 CG PHE A 55 -11.090 0.564 -11.446 1.00 0.00 C ATOM 797 CD1 PHE A 55 -12.078 1.408 -10.962 1.00 0.00 C ATOM 798 CD2 PHE A 55 -11.337 -0.800 -11.483 1.00 0.00 C ATOM 799 CE1 PHE A 55 -13.287 0.902 -10.525 1.00 0.00 C ATOM 800 CE2 PHE A 55 -12.546 -1.310 -11.046 1.00 0.00 C ATOM 801 CZ PHE A 55 -13.521 -0.458 -10.567 1.00 0.00 C ATOM 0 H PHE A 55 -7.759 2.015 -13.199 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.357 0.916 -13.982 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.015 0.340 -11.840 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.475 1.930 -11.262 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.900 2.473 -10.926 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.578 -1.471 -11.857 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -14.049 1.570 -10.151 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.727 -2.374 -11.079 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.466 -0.855 -10.226 1.00 0.00 H new ATOM 811 N SER A 56 -11.837 2.921 -13.714 1.00 0.00 N ATOM 812 CA SER A 56 -12.647 4.130 -13.800 1.00 0.00 C ATOM 813 C SER A 56 -13.662 4.185 -12.664 1.00 0.00 C ATOM 814 O SER A 56 -14.585 3.373 -12.604 1.00 0.00 O ATOM 815 CB SER A 56 -13.367 4.192 -15.148 1.00 0.00 C ATOM 816 OG SER A 56 -12.441 4.245 -16.220 1.00 0.00 O ATOM 0 H SER A 56 -12.348 2.058 -13.898 1.00 0.00 H new ATOM 0 HA SER A 56 -11.983 4.990 -13.712 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.009 3.319 -15.261 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.014 5.069 -15.178 1.00 0.00 H new ATOM 0 HG SER A 56 -12.927 4.282 -17.070 1.00 0.00 H new ATOM 822 N ASN A 57 -13.487 5.148 -11.765 1.00 0.00 N ATOM 823 CA ASN A 57 -14.389 5.309 -10.630 1.00 0.00 C ATOM 824 C ASN A 57 -15.192 6.600 -10.752 1.00 0.00 C ATOM 825 O ASN A 57 -16.408 6.607 -10.558 1.00 0.00 O ATOM 826 CB ASN A 57 -13.598 5.309 -9.320 1.00 0.00 C ATOM 827 CG ASN A 57 -14.390 4.723 -8.168 1.00 0.00 C ATOM 828 OD1 ASN A 57 -15.111 3.739 -8.332 1.00 0.00 O ATOM 829 ND2 ASN A 57 -14.259 5.328 -6.993 1.00 0.00 N ATOM 0 H ASN A 57 -12.729 5.829 -11.800 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.084 4.469 -10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.679 4.738 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.306 6.330 -9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.768 4.979 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.650 6.141 -6.903 1.00 0.00 H new ATOM 836 N ASP A 58 -14.505 7.692 -11.074 1.00 0.00 N ATOM 837 CA ASP A 58 -15.154 8.988 -11.220 1.00 0.00 C ATOM 838 C ASP A 58 -15.654 9.188 -12.647 1.00 0.00 C ATOM 839 O ASP A 58 -14.890 9.563 -13.537 1.00 0.00 O ATOM 840 CB ASP A 58 -14.187 10.112 -10.844 1.00 0.00 C ATOM 841 CG ASP A 58 -13.831 10.099 -9.370 1.00 0.00 C ATOM 842 OD1 ASP A 58 -13.023 9.238 -8.963 1.00 0.00 O ATOM 843 OD2 ASP A 58 -14.360 10.949 -8.625 1.00 0.00 O ATOM 0 H ASP A 58 -13.498 7.704 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.011 9.015 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.277 10.017 -11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.634 11.073 -11.099 1.00 0.00 H new ATOM 848 N LYS A 59 -16.942 8.936 -12.859 1.00 0.00 N ATOM 849 CA LYS A 59 -17.544 9.089 -14.178 1.00 0.00 C ATOM 850 C LYS A 59 -16.883 8.158 -15.190 1.00 0.00 C ATOM 851 O LYS A 59 -16.015 7.358 -14.838 1.00 0.00 O ATOM 852 CB LYS A 59 -17.429 10.539 -14.651 1.00 0.00 C ATOM 853 CG LYS A 59 -18.616 11.005 -15.479 1.00 0.00 C ATOM 854 CD LYS A 59 -19.440 12.047 -14.739 1.00 0.00 C ATOM 855 CE LYS A 59 -19.149 13.450 -15.246 1.00 0.00 C ATOM 856 NZ LYS A 59 -17.864 13.978 -14.710 1.00 0.00 N ATOM 857 OXT LYS A 59 -17.276 8.214 -16.563 1.00 0.00 O ATOM 0 H LYS A 59 -17.589 8.625 -12.134 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.598 8.823 -14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.325 11.189 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -16.519 10.649 -15.241 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.261 11.423 -16.421 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -19.246 10.150 -15.726 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.501 11.828 -14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.224 11.992 -13.672 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.112 13.442 -16.335 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.963 14.116 -14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -17.702 14.937 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.908 14.010 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -17.084 13.357 -15.005 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.894 -16.286 -3.705 1.00 0.00 ZN