USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 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 142:sc= -1.44 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.4! C(o=-16!,f=-20!) USER MOD Set 1.3: A 34 CYS SG : rot 147:sc= -4.75! USER MOD Set 1.4: A 37 CYS SG : rot -31:sc= -3.32! 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 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -15:sc= 0.782 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 -111:sc=-0.00958 (180deg=-2.56!) USER MOD Single : A 50 SER OG : rot -61:sc= 1.19 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0942 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 57 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.7!) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0199) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -30.918 11.154 -15.965 1.00 0.00 N ATOM 2 CA ALA A 2 -29.700 10.435 -16.422 1.00 0.00 C ATOM 3 C ALA A 2 -29.554 9.097 -15.707 1.00 0.00 C ATOM 4 O ALA A 2 -30.383 8.734 -14.872 1.00 0.00 O ATOM 5 CB ALA A 2 -28.464 11.293 -16.194 1.00 0.00 C ATOM 0 HA ALA A 2 -29.802 10.240 -17.489 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -27.579 10.754 -16.533 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -28.559 12.224 -16.754 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -28.367 11.517 -15.132 1.00 0.00 H new ATOM 10 N SER A 3 -28.494 8.367 -16.038 1.00 0.00 N ATOM 11 CA SER A 3 -28.239 7.067 -15.427 1.00 0.00 C ATOM 12 C SER A 3 -26.804 6.618 -15.682 1.00 0.00 C ATOM 13 O SER A 3 -26.537 5.854 -16.610 1.00 0.00 O ATOM 14 CB SER A 3 -29.222 6.025 -15.968 1.00 0.00 C ATOM 15 OG SER A 3 -30.000 5.467 -14.923 1.00 0.00 O ATOM 0 H SER A 3 -27.798 8.653 -16.726 1.00 0.00 H new ATOM 0 HA SER A 3 -28.381 7.163 -14.351 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.877 6.487 -16.706 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.673 5.234 -16.479 1.00 0.00 H new ATOM 0 HG SER A 3 -30.621 4.806 -15.295 1.00 0.00 H new ATOM 21 N THR A 4 -25.883 7.098 -14.854 1.00 0.00 N ATOM 22 CA THR A 4 -24.474 6.746 -14.990 1.00 0.00 C ATOM 23 C THR A 4 -24.146 5.495 -14.181 1.00 0.00 C ATOM 24 O THR A 4 -24.560 5.363 -13.029 1.00 0.00 O ATOM 25 CB THR A 4 -23.590 7.908 -14.535 1.00 0.00 C ATOM 26 OG1 THR A 4 -23.895 9.085 -15.262 1.00 0.00 O ATOM 27 CG2 THR A 4 -22.111 7.635 -14.703 1.00 0.00 C ATOM 0 H THR A 4 -26.086 7.732 -14.081 1.00 0.00 H new ATOM 0 HA THR A 4 -24.277 6.539 -16.042 1.00 0.00 H new ATOM 0 HB THR A 4 -23.802 8.034 -13.473 1.00 0.00 H new ATOM 0 HG1 THR A 4 -23.320 9.817 -14.955 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.540 8.499 -14.362 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.833 6.761 -14.114 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.893 7.448 -15.754 1.00 0.00 H new ATOM 35 N SER A 5 -23.401 4.580 -14.791 1.00 0.00 N ATOM 36 CA SER A 5 -23.018 3.340 -14.127 1.00 0.00 C ATOM 37 C SER A 5 -21.513 3.114 -14.223 1.00 0.00 C ATOM 38 O SER A 5 -20.849 2.858 -13.219 1.00 0.00 O ATOM 39 CB SER A 5 -23.764 2.156 -14.744 1.00 0.00 C ATOM 40 OG SER A 5 -25.092 2.080 -14.256 1.00 0.00 O ATOM 0 H SER A 5 -23.050 4.674 -15.744 1.00 0.00 H new ATOM 0 HA SER A 5 -23.288 3.422 -13.074 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.777 2.256 -15.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.236 1.230 -14.516 1.00 0.00 H new ATOM 0 HG SER A 5 -25.548 1.316 -14.667 1.00 0.00 H new ATOM 46 N ARG A 6 -20.981 3.208 -15.438 1.00 0.00 N ATOM 47 CA ARG A 6 -19.554 3.011 -15.666 1.00 0.00 C ATOM 48 C ARG A 6 -19.116 1.627 -15.198 1.00 0.00 C ATOM 49 O ARG A 6 -18.976 1.381 -14.000 1.00 0.00 O ATOM 50 CB ARG A 6 -18.747 4.088 -14.937 1.00 0.00 C ATOM 51 CG ARG A 6 -19.045 5.499 -15.418 1.00 0.00 C ATOM 52 CD ARG A 6 -17.958 6.013 -16.349 1.00 0.00 C ATOM 53 NE ARG A 6 -18.049 5.415 -17.679 1.00 0.00 N ATOM 54 CZ ARG A 6 -17.471 5.927 -18.763 1.00 0.00 C ATOM 55 NH1 ARG A 6 -16.761 7.045 -18.681 1.00 0.00 N ATOM 56 NH2 ARG A 6 -17.602 5.319 -19.934 1.00 0.00 N ATOM 0 H ARG A 6 -21.517 3.419 -16.280 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.367 3.089 -16.737 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.955 4.025 -13.869 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.684 3.885 -15.068 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.005 5.513 -15.935 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.135 6.165 -14.560 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.035 7.097 -16.433 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.980 5.795 -15.920 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.587 4.555 -17.783 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.656 7.517 -17.783 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.321 7.432 -19.516 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.146 4.459 -20.004 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.159 5.711 -20.765 1.00 0.00 H new ATOM 70 N LEU A 7 -18.905 0.726 -16.151 1.00 0.00 N ATOM 71 CA LEU A 7 -18.486 -0.635 -15.836 1.00 0.00 C ATOM 72 C LEU A 7 -16.984 -0.694 -15.560 1.00 0.00 C ATOM 73 O LEU A 7 -16.242 -1.397 -16.245 1.00 0.00 O ATOM 74 CB LEU A 7 -18.854 -1.580 -16.984 1.00 0.00 C ATOM 75 CG LEU A 7 -19.501 -2.898 -16.553 1.00 0.00 C ATOM 76 CD1 LEU A 7 -20.214 -3.550 -17.727 1.00 0.00 C ATOM 77 CD2 LEU A 7 -18.457 -3.839 -15.971 1.00 0.00 C ATOM 0 H LEU A 7 -19.017 0.913 -17.147 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.009 -0.954 -14.934 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.536 -1.061 -17.658 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.952 -1.804 -17.554 1.00 0.00 H new ATOM 0 HG LEU A 7 -20.239 -2.684 -15.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.668 -4.486 -17.402 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.989 -2.880 -18.099 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -19.496 -3.752 -18.522 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.935 -4.771 -15.670 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.696 -4.048 -16.723 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.991 -3.373 -15.103 1.00 0.00 H new ATOM 89 N ASP A 8 -16.546 0.046 -14.546 1.00 0.00 N ATOM 90 CA ASP A 8 -15.136 0.074 -14.175 1.00 0.00 C ATOM 91 C ASP A 8 -14.786 -1.124 -13.297 1.00 0.00 C ATOM 92 O ASP A 8 -14.346 -0.967 -12.159 1.00 0.00 O ATOM 93 CB ASP A 8 -14.805 1.376 -13.444 1.00 0.00 C ATOM 94 CG ASP A 8 -15.585 1.529 -12.153 1.00 0.00 C ATOM 95 OD1 ASP A 8 -16.620 0.847 -12.000 1.00 0.00 O ATOM 96 OD2 ASP A 8 -15.161 2.331 -11.294 1.00 0.00 O ATOM 0 H ASP A 8 -17.147 0.633 -13.967 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.541 0.020 -15.087 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.737 1.406 -13.226 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.020 2.221 -14.098 1.00 0.00 H new ATOM 101 N ALA A 9 -14.988 -2.321 -13.837 1.00 0.00 N ATOM 102 CA ALA A 9 -14.700 -3.548 -13.105 1.00 0.00 C ATOM 103 C ALA A 9 -13.198 -3.803 -13.024 1.00 0.00 C ATOM 104 O ALA A 9 -12.690 -4.766 -13.598 1.00 0.00 O ATOM 105 CB ALA A 9 -15.404 -4.728 -13.759 1.00 0.00 C ATOM 0 H ALA A 9 -15.350 -2.467 -14.779 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.075 -3.431 -12.088 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.181 -5.639 -13.203 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.480 -4.556 -13.757 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.056 -4.836 -14.786 1.00 0.00 H new ATOM 111 N LEU A 10 -12.491 -2.938 -12.304 1.00 0.00 N ATOM 112 CA LEU A 10 -11.048 -3.078 -12.149 1.00 0.00 C ATOM 113 C LEU A 10 -10.645 -3.081 -10.670 1.00 0.00 C ATOM 114 O LEU A 10 -9.686 -2.415 -10.281 1.00 0.00 O ATOM 115 CB LEU A 10 -10.327 -1.949 -12.894 1.00 0.00 C ATOM 116 CG LEU A 10 -9.357 -2.414 -13.986 1.00 0.00 C ATOM 117 CD1 LEU A 10 -9.878 -2.030 -15.363 1.00 0.00 C ATOM 118 CD2 LEU A 10 -7.971 -1.827 -13.757 1.00 0.00 C ATOM 0 H LEU A 10 -12.893 -2.135 -11.820 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.752 -4.035 -12.578 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.074 -1.296 -13.346 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.776 -1.349 -12.170 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.282 -3.500 -13.937 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.176 -2.368 -16.125 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.848 -2.499 -15.529 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.984 -0.947 -15.423 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.297 -2.169 -14.542 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.029 -0.739 -13.777 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.594 -2.153 -12.788 1.00 0.00 H new ATOM 130 N PRO A 11 -11.368 -3.839 -9.821 1.00 0.00 N ATOM 131 CA PRO A 11 -11.066 -3.920 -8.391 1.00 0.00 C ATOM 132 C PRO A 11 -9.910 -4.869 -8.098 1.00 0.00 C ATOM 133 O PRO A 11 -9.870 -5.988 -8.609 1.00 0.00 O ATOM 134 CB PRO A 11 -12.363 -4.464 -7.801 1.00 0.00 C ATOM 135 CG PRO A 11 -12.919 -5.329 -8.879 1.00 0.00 C ATOM 136 CD PRO A 11 -12.530 -4.678 -10.182 1.00 0.00 C ATOM 0 HA PRO A 11 -10.756 -2.960 -7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.178 -5.032 -6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.051 -3.659 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.517 -6.340 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.002 -5.411 -8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.270 -5.419 -10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.345 -4.080 -10.590 1.00 0.00 H new ATOM 144 N ARG A 12 -8.973 -4.419 -7.271 1.00 0.00 N ATOM 145 CA ARG A 12 -7.820 -5.234 -6.910 1.00 0.00 C ATOM 146 C ARG A 12 -7.717 -5.387 -5.396 1.00 0.00 C ATOM 147 O ARG A 12 -7.090 -4.572 -4.720 1.00 0.00 O ATOM 148 CB ARG A 12 -6.535 -4.611 -7.463 1.00 0.00 C ATOM 149 CG ARG A 12 -6.441 -4.656 -8.980 1.00 0.00 C ATOM 150 CD ARG A 12 -6.646 -6.066 -9.512 1.00 0.00 C ATOM 151 NE ARG A 12 -6.201 -6.200 -10.896 1.00 0.00 N ATOM 152 CZ ARG A 12 -6.458 -7.263 -11.656 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.157 -8.282 -11.171 1.00 0.00 N ATOM 154 NH2 ARG A 12 -6.015 -7.307 -12.906 1.00 0.00 N ATOM 0 H ARG A 12 -8.989 -3.495 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.952 -6.223 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.473 -3.574 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.677 -5.132 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.189 -3.991 -9.411 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.466 -4.286 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.100 -6.772 -8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.702 -6.329 -9.444 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.663 -5.436 -11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.501 -8.254 -10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.350 -9.093 -11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.478 -6.527 -13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.212 -8.121 -13.488 1.00 0.00 H new ATOM 168 N VAL A 13 -8.341 -6.437 -4.871 1.00 0.00 N ATOM 169 CA VAL A 13 -8.325 -6.698 -3.438 1.00 0.00 C ATOM 170 C VAL A 13 -7.941 -8.145 -3.142 1.00 0.00 C ATOM 171 O VAL A 13 -8.463 -9.074 -3.757 1.00 0.00 O ATOM 172 CB VAL A 13 -9.695 -6.396 -2.798 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.769 -7.308 -3.373 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.624 -6.533 -1.284 1.00 0.00 C ATOM 0 H VAL A 13 -8.864 -7.121 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.576 -6.035 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.962 -5.366 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.728 -7.079 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.841 -7.152 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.509 -8.347 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.601 -6.316 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.331 -7.550 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.889 -5.831 -0.889 1.00 0.00 H new ATOM 184 N THR A 14 -7.024 -8.325 -2.196 1.00 0.00 N ATOM 185 CA THR A 14 -6.565 -9.655 -1.812 1.00 0.00 C ATOM 186 C THR A 14 -6.015 -10.414 -3.015 1.00 0.00 C ATOM 187 O THR A 14 -6.010 -9.905 -4.136 1.00 0.00 O ATOM 188 CB THR A 14 -7.703 -10.453 -1.171 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.597 -10.936 -2.159 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.510 -9.652 -0.173 1.00 0.00 C ATOM 0 H THR A 14 -6.583 -7.564 -1.680 1.00 0.00 H new ATOM 0 HA THR A 14 -5.763 -9.532 -1.084 1.00 0.00 H new ATOM 0 HB THR A 14 -7.217 -11.274 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.438 -10.464 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.299 -10.278 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.858 -9.309 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.955 -8.791 -0.672 1.00 0.00 H new ATOM 198 N CYS A 15 -5.554 -11.634 -2.772 1.00 0.00 N ATOM 199 CA CYS A 15 -4.999 -12.471 -3.830 1.00 0.00 C ATOM 200 C CYS A 15 -6.112 -13.110 -4.659 1.00 0.00 C ATOM 201 O CYS A 15 -7.086 -13.625 -4.109 1.00 0.00 O ATOM 202 CB CYS A 15 -4.115 -13.562 -3.225 1.00 0.00 C ATOM 203 SG CYS A 15 -3.197 -14.535 -4.441 1.00 0.00 S ATOM 0 H CYS A 15 -5.553 -12.068 -1.849 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.398 -11.839 -4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.407 -13.100 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.739 -14.234 -2.636 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.009 -14.794 -3.982 1.00 0.00 H new ATOM 209 N PRO A 16 -5.982 -13.093 -5.998 1.00 0.00 N ATOM 210 CA PRO A 16 -6.984 -13.683 -6.892 1.00 0.00 C ATOM 211 C PRO A 16 -7.062 -15.201 -6.751 1.00 0.00 C ATOM 212 O PRO A 16 -8.056 -15.820 -7.129 1.00 0.00 O ATOM 213 CB PRO A 16 -6.489 -13.301 -8.290 1.00 0.00 C ATOM 214 CG PRO A 16 -5.027 -13.070 -8.126 1.00 0.00 C ATOM 215 CD PRO A 16 -4.853 -12.508 -6.744 1.00 0.00 C ATOM 0 HA PRO A 16 -7.988 -13.323 -6.670 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.686 -14.095 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.992 -12.406 -8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.469 -13.999 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.654 -12.377 -8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.894 -12.793 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.892 -11.419 -6.744 1.00 0.00 H new ATOM 223 N ASN A 17 -6.004 -15.795 -6.204 1.00 0.00 N ATOM 224 CA ASN A 17 -5.949 -17.240 -6.012 1.00 0.00 C ATOM 225 C ASN A 17 -5.904 -17.605 -4.526 1.00 0.00 C ATOM 226 O ASN A 17 -6.055 -18.771 -4.164 1.00 0.00 O ATOM 227 CB ASN A 17 -4.725 -17.819 -6.727 1.00 0.00 C ATOM 228 CG ASN A 17 -5.094 -18.544 -8.006 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.403 -17.920 -9.021 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.062 -19.871 -7.963 1.00 0.00 N ATOM 0 H ASN A 17 -5.173 -15.296 -5.886 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.856 -17.669 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.027 -17.014 -6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.208 -18.507 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.299 -20.414 -8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.800 -20.347 -7.100 1.00 0.00 H new ATOM 237 N HIS A 18 -5.709 -16.605 -3.669 1.00 0.00 N ATOM 238 CA HIS A 18 -5.659 -16.835 -2.230 1.00 0.00 C ATOM 239 C HIS A 18 -6.567 -15.853 -1.496 1.00 0.00 C ATOM 240 O HIS A 18 -6.127 -14.785 -1.073 1.00 0.00 O ATOM 241 CB HIS A 18 -4.231 -16.705 -1.705 1.00 0.00 C ATOM 242 CG HIS A 18 -3.297 -17.782 -2.164 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.102 -17.513 -2.789 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.361 -19.130 -2.046 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.464 -18.643 -3.031 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.207 -19.641 -2.593 1.00 0.00 N ATOM 0 H HIS A 18 -5.584 -15.631 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.009 -17.850 -2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.831 -15.739 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.257 -16.705 -0.615 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.761 -16.582 -3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.167 -19.697 -1.605 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.499 -18.735 -3.506 1.00 0.00 H new ATOM 255 N PRO A 19 -7.853 -16.202 -1.328 1.00 0.00 N ATOM 256 CA PRO A 19 -8.813 -15.340 -0.635 1.00 0.00 C ATOM 257 C PRO A 19 -8.389 -15.061 0.802 1.00 0.00 C ATOM 258 O PRO A 19 -8.622 -13.973 1.331 1.00 0.00 O ATOM 259 CB PRO A 19 -10.121 -16.143 -0.665 1.00 0.00 C ATOM 260 CG PRO A 19 -9.717 -17.548 -0.963 1.00 0.00 C ATOM 261 CD PRO A 19 -8.466 -17.458 -1.788 1.00 0.00 C ATOM 0 HA PRO A 19 -8.899 -14.362 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.643 -16.079 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.800 -15.760 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.538 -18.105 -0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.504 -18.073 -1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.810 -18.312 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.688 -17.431 -2.855 1.00 0.00 H new ATOM 269 N ASP A 20 -7.764 -16.053 1.427 1.00 0.00 N ATOM 270 CA ASP A 20 -7.306 -15.923 2.804 1.00 0.00 C ATOM 271 C ASP A 20 -5.982 -15.163 2.879 1.00 0.00 C ATOM 272 O ASP A 20 -5.679 -14.531 3.890 1.00 0.00 O ATOM 273 CB ASP A 20 -7.153 -17.305 3.443 1.00 0.00 C ATOM 274 CG ASP A 20 -8.209 -17.575 4.497 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.319 -18.011 4.128 1.00 0.00 O ATOM 276 OD2 ASP A 20 -7.924 -17.351 5.693 1.00 0.00 O ATOM 0 H ASP A 20 -7.563 -16.957 1.000 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.055 -15.354 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.213 -18.069 2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.164 -17.386 3.894 1.00 0.00 H new ATOM 281 N ALA A 21 -5.195 -15.230 1.808 1.00 0.00 N ATOM 282 CA ALA A 21 -3.905 -14.548 1.768 1.00 0.00 C ATOM 283 C ALA A 21 -4.066 -13.081 1.387 1.00 0.00 C ATOM 284 O ALA A 21 -3.972 -12.713 0.215 1.00 0.00 O ATOM 285 CB ALA A 21 -2.968 -15.244 0.807 1.00 0.00 C ATOM 0 H ALA A 21 -5.427 -15.747 0.960 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.474 -14.589 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.011 -14.722 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.814 -16.274 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.402 -15.239 -0.193 1.00 0.00 H new ATOM 291 N ILE A 22 -4.342 -12.270 2.398 1.00 0.00 N ATOM 292 CA ILE A 22 -4.557 -10.839 2.217 1.00 0.00 C ATOM 293 C ILE A 22 -3.273 -10.088 1.858 1.00 0.00 C ATOM 294 O ILE A 22 -2.706 -9.385 2.694 1.00 0.00 O ATOM 295 CB ILE A 22 -5.175 -10.195 3.473 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.222 -11.123 4.098 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.794 -8.852 3.121 1.00 0.00 C ATOM 298 CD1 ILE A 22 -5.782 -11.726 5.415 1.00 0.00 C ATOM 0 H ILE A 22 -4.423 -12.583 3.365 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.251 -10.753 1.381 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.384 -10.034 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.145 -10.565 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.449 -11.926 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.228 -8.406 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.025 -8.190 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.573 -8.996 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.571 -12.372 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.876 -12.312 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.582 -10.929 6.131 1.00 0.00 H new ATOM 310 N LEU A 23 -2.832 -10.245 0.596 1.00 0.00 N ATOM 311 CA LEU A 23 -1.619 -9.578 0.094 1.00 0.00 C ATOM 312 C LEU A 23 -1.224 -8.431 1.009 1.00 0.00 C ATOM 313 O LEU A 23 -1.915 -7.423 1.092 1.00 0.00 O ATOM 314 CB LEU A 23 -1.834 -9.038 -1.324 1.00 0.00 C ATOM 315 CG LEU A 23 -1.438 -9.982 -2.460 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.653 -10.765 -2.935 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.808 -9.199 -3.606 1.00 0.00 C ATOM 0 H LEU A 23 -3.300 -10.830 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.821 -10.320 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.887 -8.782 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.267 -8.113 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.697 -10.691 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.361 -11.434 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.055 -11.350 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.414 -10.073 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.532 -9.885 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.523 -8.469 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.082 -8.682 -3.247 1.00 0.00 H new ATOM 329 N VAL A 24 -0.136 -8.605 1.724 1.00 0.00 N ATOM 330 CA VAL A 24 0.313 -7.594 2.657 1.00 0.00 C ATOM 331 C VAL A 24 1.011 -6.444 1.949 1.00 0.00 C ATOM 332 O VAL A 24 1.397 -6.553 0.789 1.00 0.00 O ATOM 333 CB VAL A 24 1.216 -8.214 3.727 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.362 -7.283 4.921 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.635 -9.559 4.144 1.00 0.00 C ATOM 0 H VAL A 24 0.454 -9.435 1.678 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.568 -7.180 3.148 1.00 0.00 H new ATOM 0 HB VAL A 24 2.214 -8.367 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.008 -7.746 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.802 -6.340 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.381 -7.094 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.271 -10.009 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.367 -9.413 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.585 -10.218 3.277 1.00 0.00 H new ATOM 345 N GLU A 25 1.133 -5.335 2.658 1.00 0.00 N ATOM 346 CA GLU A 25 1.734 -4.146 2.128 1.00 0.00 C ATOM 347 C GLU A 25 3.234 -4.239 2.190 1.00 0.00 C ATOM 348 O GLU A 25 3.819 -4.624 3.202 1.00 0.00 O ATOM 349 CB GLU A 25 1.248 -2.915 2.895 1.00 0.00 C ATOM 350 CG GLU A 25 -0.058 -2.346 2.366 1.00 0.00 C ATOM 351 CD GLU A 25 0.153 -1.148 1.460 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.798 -0.175 1.903 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.326 -1.184 0.307 1.00 0.00 O ATOM 0 H GLU A 25 0.813 -5.244 3.622 1.00 0.00 H new ATOM 0 HA GLU A 25 1.436 -4.047 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.121 -3.178 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.016 -2.143 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.593 -3.122 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.690 -2.056 3.205 1.00 0.00 H new ATOM 360 N ASP A 26 3.837 -3.846 1.103 1.00 0.00 N ATOM 361 CA ASP A 26 5.266 -3.819 0.964 1.00 0.00 C ATOM 362 C ASP A 26 5.932 -5.194 0.948 1.00 0.00 C ATOM 363 O ASP A 26 6.419 -5.671 1.974 1.00 0.00 O ATOM 364 CB ASP A 26 5.892 -2.936 2.038 1.00 0.00 C ATOM 365 CG ASP A 26 6.406 -1.622 1.482 1.00 0.00 C ATOM 366 OD1 ASP A 26 7.420 -1.643 0.752 1.00 0.00 O ATOM 367 OD2 ASP A 26 5.797 -0.574 1.776 1.00 0.00 O ATOM 0 H ASP A 26 3.338 -3.529 0.272 1.00 0.00 H new ATOM 0 HA ASP A 26 5.452 -3.395 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.154 -2.734 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.714 -3.473 2.512 1.00 0.00 H new ATOM 372 N TYR A 27 5.984 -5.812 -0.235 1.00 0.00 N ATOM 373 CA TYR A 27 6.631 -7.112 -0.395 1.00 0.00 C ATOM 374 C TYR A 27 8.080 -7.025 0.056 1.00 0.00 C ATOM 375 O TYR A 27 8.946 -6.587 -0.702 1.00 0.00 O ATOM 376 CB TYR A 27 6.576 -7.565 -1.864 1.00 0.00 C ATOM 377 CG TYR A 27 7.769 -8.393 -2.312 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.898 -9.726 -1.940 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.766 -7.837 -3.108 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.983 -10.479 -2.344 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.854 -8.584 -3.517 1.00 0.00 C ATOM 382 CZ TYR A 27 9.958 -9.904 -3.132 1.00 0.00 C ATOM 383 OH TYR A 27 11.040 -10.651 -3.537 1.00 0.00 O ATOM 0 H TYR A 27 5.586 -5.432 -1.094 1.00 0.00 H new ATOM 0 HA TYR A 27 6.101 -7.841 0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.667 -8.147 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.502 -6.683 -2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.136 -10.181 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.688 -6.803 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.068 -11.513 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.619 -8.137 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 27 11.633 -10.097 -4.087 1.00 0.00 H new ATOM 393 N ARG A 28 8.347 -7.435 1.289 1.00 0.00 N ATOM 394 CA ARG A 28 9.704 -7.389 1.813 1.00 0.00 C ATOM 395 C ARG A 28 10.334 -6.023 1.542 1.00 0.00 C ATOM 396 O ARG A 28 11.537 -5.920 1.305 1.00 0.00 O ATOM 397 CB ARG A 28 10.544 -8.491 1.169 1.00 0.00 C ATOM 398 CG ARG A 28 11.412 -9.251 2.161 1.00 0.00 C ATOM 399 CD ARG A 28 12.846 -9.372 1.673 1.00 0.00 C ATOM 400 NE ARG A 28 13.089 -10.646 1.000 1.00 0.00 N ATOM 401 CZ ARG A 28 14.300 -11.167 0.812 1.00 0.00 C ATOM 402 NH1 ARG A 28 15.381 -10.528 1.245 1.00 0.00 N ATOM 403 NH2 ARG A 28 14.431 -12.330 0.189 1.00 0.00 N ATOM 0 H ARG A 28 7.650 -7.799 1.938 1.00 0.00 H new ATOM 0 HA ARG A 28 9.671 -7.547 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.881 -9.194 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.182 -8.050 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.397 -8.741 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.997 -10.246 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.067 -8.553 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.526 -9.273 2.519 1.00 0.00 H new ATOM 0 HE ARG A 28 12.283 -11.167 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.286 -9.633 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.306 -10.933 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.604 -12.825 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.358 -12.730 0.045 1.00 0.00 H new ATOM 417 N ALA A 29 9.491 -4.986 1.563 1.00 0.00 N ATOM 418 CA ALA A 29 9.911 -3.603 1.309 1.00 0.00 C ATOM 419 C ALA A 29 9.568 -3.184 -0.120 1.00 0.00 C ATOM 420 O ALA A 29 10.236 -2.332 -0.705 1.00 0.00 O ATOM 421 CB ALA A 29 11.397 -3.405 1.578 1.00 0.00 C ATOM 0 H ALA A 29 8.494 -5.082 1.757 1.00 0.00 H new ATOM 0 HA ALA A 29 9.361 -2.966 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.668 -2.368 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.613 -3.642 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.975 -4.063 0.929 1.00 0.00 H new ATOM 427 N GLY A 30 8.515 -3.786 -0.670 1.00 0.00 N ATOM 428 CA GLY A 30 8.089 -3.464 -2.022 1.00 0.00 C ATOM 429 C GLY A 30 6.621 -3.079 -2.083 1.00 0.00 C ATOM 430 O GLY A 30 6.184 -2.164 -1.386 1.00 0.00 O ATOM 0 H GLY A 30 7.948 -4.493 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.695 -2.643 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.265 -4.322 -2.671 1.00 0.00 H new ATOM 434 N ASP A 31 5.859 -3.778 -2.922 1.00 0.00 N ATOM 435 CA ASP A 31 4.432 -3.510 -3.065 1.00 0.00 C ATOM 436 C ASP A 31 3.605 -4.506 -2.246 1.00 0.00 C ATOM 437 O ASP A 31 3.866 -4.692 -1.066 1.00 0.00 O ATOM 438 CB ASP A 31 4.037 -3.479 -4.541 1.00 0.00 C ATOM 439 CG ASP A 31 4.406 -4.741 -5.277 1.00 0.00 C ATOM 440 OD1 ASP A 31 3.829 -5.796 -4.957 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.263 -4.671 -6.183 1.00 0.00 O ATOM 0 H ASP A 31 6.207 -4.534 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 31 4.214 -2.522 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.962 -3.320 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.521 -2.629 -5.023 1.00 0.00 H new ATOM 446 N MET A 32 2.592 -5.123 -2.840 1.00 0.00 N ATOM 447 CA MET A 32 1.738 -6.049 -2.102 1.00 0.00 C ATOM 448 C MET A 32 2.122 -7.511 -2.299 1.00 0.00 C ATOM 449 O MET A 32 2.144 -8.023 -3.412 1.00 0.00 O ATOM 450 CB MET A 32 0.309 -5.828 -2.531 1.00 0.00 C ATOM 451 CG MET A 32 -0.309 -4.581 -1.921 1.00 0.00 C ATOM 452 SD MET A 32 -1.431 -3.733 -3.046 1.00 0.00 S ATOM 453 CE MET A 32 -0.299 -2.625 -3.882 1.00 0.00 C ATOM 0 H MET A 32 2.342 -5.002 -3.821 1.00 0.00 H new ATOM 0 HA MET A 32 1.866 -5.843 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.270 -5.752 -3.618 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.287 -6.696 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.850 -4.855 -1.015 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.485 -3.896 -1.623 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.510 -1.598 -3.586 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.726 -2.878 -3.609 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.423 -2.724 -4.960 1.00 0.00 H new ATOM 463 N ILE A 33 2.463 -8.157 -1.196 1.00 0.00 N ATOM 464 CA ILE A 33 2.901 -9.543 -1.199 1.00 0.00 C ATOM 465 C ILE A 33 1.850 -10.483 -0.620 1.00 0.00 C ATOM 466 O ILE A 33 1.406 -10.314 0.514 1.00 0.00 O ATOM 467 CB ILE A 33 4.199 -9.622 -0.365 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.990 -10.895 -0.630 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.884 -9.494 1.113 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.217 -12.152 -0.342 1.00 0.00 C ATOM 0 H ILE A 33 2.444 -7.732 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 33 3.069 -9.862 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 33 4.828 -8.788 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.309 -10.905 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.893 -10.886 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.808 -9.551 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.399 -8.536 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.218 -10.303 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.842 -13.020 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.921 -12.165 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.327 -12.184 -0.971 1.00 0.00 H new ATOM 482 N CYS A 34 1.487 -11.500 -1.395 1.00 0.00 N ATOM 483 CA CYS A 34 0.529 -12.492 -0.942 1.00 0.00 C ATOM 484 C CYS A 34 1.278 -13.581 -0.191 1.00 0.00 C ATOM 485 O CYS A 34 1.809 -14.489 -0.812 1.00 0.00 O ATOM 486 CB CYS A 34 -0.210 -13.109 -2.127 1.00 0.00 C ATOM 487 SG CYS A 34 -1.294 -14.482 -1.690 1.00 0.00 S ATOM 0 H CYS A 34 1.843 -11.655 -2.338 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.203 -12.013 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.802 -12.334 -2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.522 -13.457 -2.856 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.328 -14.486 -2.478 1.00 0.00 H new ATOM 493 N PRO A 35 1.326 -13.514 1.150 1.00 0.00 N ATOM 494 CA PRO A 35 2.034 -14.494 1.983 1.00 0.00 C ATOM 495 C PRO A 35 1.848 -15.943 1.541 1.00 0.00 C ATOM 496 O PRO A 35 2.585 -16.824 1.983 1.00 0.00 O ATOM 497 CB PRO A 35 1.435 -14.282 3.385 1.00 0.00 C ATOM 498 CG PRO A 35 0.345 -13.274 3.213 1.00 0.00 C ATOM 499 CD PRO A 35 0.690 -12.494 1.980 1.00 0.00 C ATOM 0 HA PRO A 35 3.111 -14.338 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.044 -15.216 3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.192 -13.925 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.624 -13.762 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.279 -12.620 4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.194 -12.071 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.363 -11.664 2.196 1.00 0.00 H new ATOM 507 N GLU A 36 0.866 -16.198 0.696 1.00 0.00 N ATOM 508 CA GLU A 36 0.596 -17.549 0.240 1.00 0.00 C ATOM 509 C GLU A 36 1.406 -17.880 -1.005 1.00 0.00 C ATOM 510 O GLU A 36 2.304 -18.713 -0.964 1.00 0.00 O ATOM 511 CB GLU A 36 -0.897 -17.713 -0.027 1.00 0.00 C ATOM 512 CG GLU A 36 -1.654 -18.355 1.124 1.00 0.00 C ATOM 513 CD GLU A 36 -1.211 -19.780 1.394 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.144 -19.962 2.017 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.932 -20.714 0.984 1.00 0.00 O ATOM 0 H GLU A 36 0.243 -15.488 0.312 1.00 0.00 H new ATOM 0 HA GLU A 36 0.896 -18.247 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.330 -16.735 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.033 -18.319 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.512 -17.758 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.721 -18.347 0.901 1.00 0.00 H new ATOM 522 N CYS A 37 1.139 -17.178 -2.095 1.00 0.00 N ATOM 523 CA CYS A 37 1.905 -17.385 -3.321 1.00 0.00 C ATOM 524 C CYS A 37 3.076 -16.431 -3.303 1.00 0.00 C ATOM 525 O CYS A 37 4.060 -16.597 -4.019 1.00 0.00 O ATOM 526 CB CYS A 37 1.054 -17.138 -4.576 1.00 0.00 C ATOM 527 SG CYS A 37 0.047 -15.638 -4.519 1.00 0.00 S ATOM 0 H CYS A 37 0.409 -16.469 -2.160 1.00 0.00 H new ATOM 0 HA CYS A 37 2.241 -18.421 -3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.714 -17.084 -5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.398 -17.995 -4.728 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.291 -15.389 -3.289 1.00 0.00 H new ATOM 533 N GLY A 38 2.925 -15.419 -2.464 1.00 0.00 N ATOM 534 CA GLY A 38 3.910 -14.394 -2.302 1.00 0.00 C ATOM 535 C GLY A 38 4.060 -13.564 -3.545 1.00 0.00 C ATOM 536 O GLY A 38 5.154 -13.116 -3.891 1.00 0.00 O ATOM 0 H GLY A 38 2.101 -15.296 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.632 -13.751 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.869 -14.847 -2.050 1.00 0.00 H new ATOM 540 N LEU A 39 2.937 -13.356 -4.206 1.00 0.00 N ATOM 541 CA LEU A 39 2.886 -12.569 -5.418 1.00 0.00 C ATOM 542 C LEU A 39 3.053 -11.103 -5.076 1.00 0.00 C ATOM 543 O LEU A 39 2.607 -10.659 -4.019 1.00 0.00 O ATOM 544 CB LEU A 39 1.547 -12.788 -6.105 1.00 0.00 C ATOM 545 CG LEU A 39 0.427 -11.893 -5.581 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.271 -10.700 -6.486 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.878 -12.652 -5.460 1.00 0.00 C ATOM 0 H LEU A 39 2.034 -13.730 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 39 3.690 -12.875 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.666 -12.615 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.253 -13.830 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 39 0.695 -11.552 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.529 -10.061 -6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.204 -10.137 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.025 -11.037 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.654 -11.985 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.170 -13.032 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.751 -13.486 -4.770 1.00 0.00 H new ATOM 559 N VAL A 40 3.724 -10.364 -5.939 1.00 0.00 N ATOM 560 CA VAL A 40 3.974 -8.967 -5.684 1.00 0.00 C ATOM 561 C VAL A 40 3.221 -8.072 -6.657 1.00 0.00 C ATOM 562 O VAL A 40 3.488 -8.075 -7.858 1.00 0.00 O ATOM 563 CB VAL A 40 5.487 -8.659 -5.761 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.829 -7.432 -4.937 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.318 -9.853 -5.296 1.00 0.00 C ATOM 0 H VAL A 40 4.103 -10.711 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 40 3.613 -8.756 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 40 5.730 -8.459 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.899 -7.234 -5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.276 -6.573 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.559 -7.606 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.378 -9.606 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.064 -10.093 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.106 -10.713 -5.931 1.00 0.00 H new ATOM 575 N VAL A 41 2.297 -7.279 -6.122 1.00 0.00 N ATOM 576 CA VAL A 41 1.533 -6.341 -6.930 1.00 0.00 C ATOM 577 C VAL A 41 1.720 -4.931 -6.396 1.00 0.00 C ATOM 578 O VAL A 41 1.611 -4.699 -5.195 1.00 0.00 O ATOM 579 CB VAL A 41 0.017 -6.628 -6.931 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.728 -5.594 -7.764 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.282 -8.023 -7.436 1.00 0.00 C ATOM 0 H VAL A 41 2.061 -7.269 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 41 1.908 -6.450 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.329 -6.562 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.795 -5.816 -7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.559 -4.601 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.364 -5.624 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.359 -8.192 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.090 -8.128 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.207 -8.755 -6.794 1.00 0.00 H new ATOM 591 N GLY A 42 1.994 -3.997 -7.290 1.00 0.00 N ATOM 592 CA GLY A 42 2.183 -2.630 -6.893 1.00 0.00 C ATOM 593 C GLY A 42 3.563 -2.152 -7.255 1.00 0.00 C ATOM 594 O GLY A 42 4.244 -2.795 -8.051 1.00 0.00 O ATOM 0 H GLY A 42 2.089 -4.168 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.437 -2.000 -7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.031 -2.535 -5.818 1.00 0.00 H new ATOM 598 N ASP A 43 3.976 -1.034 -6.671 1.00 0.00 N ATOM 599 CA ASP A 43 5.296 -0.458 -6.929 1.00 0.00 C ATOM 600 C ASP A 43 6.195 -1.392 -7.740 1.00 0.00 C ATOM 601 O ASP A 43 6.971 -2.167 -7.179 1.00 0.00 O ATOM 602 CB ASP A 43 5.981 -0.104 -5.609 1.00 0.00 C ATOM 603 CG ASP A 43 6.974 1.032 -5.760 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.460 1.249 -6.889 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.266 1.703 -4.749 1.00 0.00 O ATOM 0 H ASP A 43 3.412 -0.502 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 43 5.140 0.443 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.226 0.173 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.495 -0.984 -5.222 1.00 0.00 H new ATOM 610 N ARG A 44 6.077 -1.317 -9.064 1.00 0.00 N ATOM 611 CA ARG A 44 6.870 -2.157 -9.952 1.00 0.00 C ATOM 612 C ARG A 44 7.879 -1.322 -10.739 1.00 0.00 C ATOM 613 O ARG A 44 7.911 -1.358 -11.970 1.00 0.00 O ATOM 614 CB ARG A 44 5.952 -2.927 -10.909 1.00 0.00 C ATOM 615 CG ARG A 44 6.093 -4.437 -10.805 1.00 0.00 C ATOM 616 CD ARG A 44 5.233 -5.149 -11.837 1.00 0.00 C ATOM 617 NE ARG A 44 4.027 -5.724 -11.244 1.00 0.00 N ATOM 618 CZ ARG A 44 3.103 -6.385 -11.938 1.00 0.00 C ATOM 619 NH1 ARG A 44 3.242 -6.558 -13.247 1.00 0.00 N ATOM 620 NH2 ARG A 44 2.036 -6.876 -11.320 1.00 0.00 N ATOM 0 H ARG A 44 5.439 -0.682 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 44 7.425 -2.871 -9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.917 -2.652 -10.706 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.168 -2.620 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.137 -4.716 -10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.807 -4.762 -9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.951 -4.446 -12.621 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.816 -5.939 -12.311 1.00 0.00 H new ATOM 0 HE ARG A 44 3.885 -5.612 -10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.060 -6.184 -13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.530 -7.065 -13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.925 -6.747 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.327 -7.383 -11.851 1.00 0.00 H new ATOM 634 N VAL A 45 8.704 -0.570 -10.018 1.00 0.00 N ATOM 635 CA VAL A 45 9.716 0.273 -10.644 1.00 0.00 C ATOM 636 C VAL A 45 9.074 1.381 -11.475 1.00 0.00 C ATOM 637 O VAL A 45 9.372 1.539 -12.660 1.00 0.00 O ATOM 638 CB VAL A 45 10.656 -0.553 -11.544 1.00 0.00 C ATOM 639 CG1 VAL A 45 11.823 0.298 -12.019 1.00 0.00 C ATOM 640 CG2 VAL A 45 11.150 -1.788 -10.806 1.00 0.00 C ATOM 0 H VAL A 45 8.692 -0.527 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 45 10.298 0.720 -9.838 1.00 0.00 H new ATOM 0 HB VAL A 45 10.097 -0.882 -12.420 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.476 -0.302 -12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.446 1.148 -12.588 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.385 0.658 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.812 -2.360 -11.456 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.693 -1.484 -9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.299 -2.406 -10.521 1.00 0.00 H new ATOM 650 N ILE A 46 8.192 2.149 -10.843 1.00 0.00 N ATOM 651 CA ILE A 46 7.509 3.246 -11.522 1.00 0.00 C ATOM 652 C ILE A 46 7.592 4.530 -10.703 1.00 0.00 C ATOM 653 O ILE A 46 6.651 4.891 -9.996 1.00 0.00 O ATOM 654 CB ILE A 46 6.023 2.918 -11.799 1.00 0.00 C ATOM 655 CG1 ILE A 46 5.486 1.900 -10.788 1.00 0.00 C ATOM 656 CG2 ILE A 46 5.855 2.396 -13.218 1.00 0.00 C ATOM 657 CD1 ILE A 46 5.367 2.447 -9.383 1.00 0.00 C ATOM 0 H ILE A 46 7.933 2.033 -9.863 1.00 0.00 H new ATOM 0 HA ILE A 46 8.017 3.387 -12.476 1.00 0.00 H new ATOM 0 HB ILE A 46 5.446 3.836 -11.691 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.507 1.554 -11.118 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.144 1.031 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.805 2.169 -13.400 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.191 3.153 -13.926 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.449 1.491 -13.346 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.981 1.671 -8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.348 2.767 -9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.686 3.298 -9.380 1.00 0.00 H new ATOM 669 N ASP A 47 8.726 5.216 -10.804 1.00 0.00 N ATOM 670 CA ASP A 47 8.937 6.460 -10.074 1.00 0.00 C ATOM 671 C ASP A 47 7.908 7.511 -10.478 1.00 0.00 C ATOM 672 O ASP A 47 6.962 7.785 -9.739 1.00 0.00 O ATOM 673 CB ASP A 47 10.350 6.990 -10.325 1.00 0.00 C ATOM 674 CG ASP A 47 11.418 6.098 -9.723 1.00 0.00 C ATOM 675 OD1 ASP A 47 11.151 4.893 -9.541 1.00 0.00 O ATOM 676 OD2 ASP A 47 12.521 6.606 -9.434 1.00 0.00 O ATOM 0 H ASP A 47 9.514 4.930 -11.385 1.00 0.00 H new ATOM 0 HA ASP A 47 8.818 6.252 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.517 7.078 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.439 7.992 -9.906 1.00 0.00 H new ATOM 681 N VAL A 48 8.099 8.098 -11.656 1.00 0.00 N ATOM 682 CA VAL A 48 7.189 9.120 -12.157 1.00 0.00 C ATOM 683 C VAL A 48 6.692 8.773 -13.560 1.00 0.00 C ATOM 684 O VAL A 48 7.103 9.385 -14.545 1.00 0.00 O ATOM 685 CB VAL A 48 7.862 10.507 -12.182 1.00 0.00 C ATOM 686 CG1 VAL A 48 9.103 10.488 -13.064 1.00 0.00 C ATOM 687 CG2 VAL A 48 6.880 11.574 -12.648 1.00 0.00 C ATOM 0 H VAL A 48 8.876 7.883 -12.281 1.00 0.00 H new ATOM 0 HA VAL A 48 6.339 9.153 -11.475 1.00 0.00 H new ATOM 0 HB VAL A 48 8.173 10.754 -11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.562 11.477 -13.067 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.814 9.759 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.822 10.215 -14.081 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.375 12.545 -12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.531 11.334 -13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.029 11.608 -11.967 1.00 0.00 H new ATOM 697 N GLY A 49 5.804 7.789 -13.639 1.00 0.00 N ATOM 698 CA GLY A 49 5.265 7.379 -14.923 1.00 0.00 C ATOM 699 C GLY A 49 4.354 8.427 -15.530 1.00 0.00 C ATOM 700 O GLY A 49 3.140 8.236 -15.603 1.00 0.00 O ATOM 0 H GLY A 49 5.448 7.268 -12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.086 7.174 -15.610 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.712 6.448 -14.801 1.00 0.00 H new ATOM 704 N SER A 50 4.940 9.538 -15.964 1.00 0.00 N ATOM 705 CA SER A 50 4.173 10.622 -16.567 1.00 0.00 C ATOM 706 C SER A 50 3.158 11.186 -15.578 1.00 0.00 C ATOM 707 O SER A 50 2.082 11.638 -15.969 1.00 0.00 O ATOM 708 CB SER A 50 3.456 10.129 -17.826 1.00 0.00 C ATOM 709 OG SER A 50 2.604 11.131 -18.353 1.00 0.00 O ATOM 0 H SER A 50 5.944 9.711 -15.909 1.00 0.00 H new ATOM 0 HA SER A 50 4.867 11.416 -16.840 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.191 9.840 -18.577 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.873 9.238 -17.591 1.00 0.00 H new ATOM 0 HG SER A 50 1.921 11.362 -17.689 1.00 0.00 H new ATOM 715 N GLU A 51 3.509 11.158 -14.296 1.00 0.00 N ATOM 716 CA GLU A 51 2.628 11.667 -13.253 1.00 0.00 C ATOM 717 C GLU A 51 3.113 13.018 -12.727 1.00 0.00 C ATOM 718 O GLU A 51 2.695 13.462 -11.659 1.00 0.00 O ATOM 719 CB GLU A 51 2.534 10.662 -12.102 1.00 0.00 C ATOM 720 CG GLU A 51 1.114 10.420 -11.620 1.00 0.00 C ATOM 721 CD GLU A 51 0.791 11.180 -10.348 1.00 0.00 C ATOM 722 OE1 GLU A 51 1.367 10.843 -9.292 1.00 0.00 O ATOM 723 OE2 GLU A 51 -0.038 12.113 -10.409 1.00 0.00 O ATOM 0 H GLU A 51 4.397 10.788 -13.956 1.00 0.00 H new ATOM 0 HA GLU A 51 1.639 11.807 -13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.966 9.714 -12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.136 11.021 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.414 10.714 -12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.970 9.353 -11.448 1.00 0.00 H new ATOM 730 N TRP A 52 3.996 13.666 -13.485 1.00 0.00 N ATOM 731 CA TRP A 52 4.535 14.966 -13.094 1.00 0.00 C ATOM 732 C TRP A 52 5.348 14.857 -11.806 1.00 0.00 C ATOM 733 O TRP A 52 6.578 14.838 -11.839 1.00 0.00 O ATOM 734 CB TRP A 52 3.402 15.980 -12.915 1.00 0.00 C ATOM 735 CG TRP A 52 3.145 16.805 -14.139 1.00 0.00 C ATOM 736 CD1 TRP A 52 4.062 17.189 -15.075 1.00 0.00 C ATOM 737 CD2 TRP A 52 1.889 17.350 -14.558 1.00 0.00 C ATOM 738 NE1 TRP A 52 3.451 17.938 -16.052 1.00 0.00 N ATOM 739 CE2 TRP A 52 2.118 18.051 -15.757 1.00 0.00 C ATOM 740 CE3 TRP A 52 0.593 17.312 -14.037 1.00 0.00 C ATOM 741 CZ2 TRP A 52 1.098 18.709 -16.441 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -0.418 17.965 -14.717 1.00 0.00 C ATOM 743 CH2 TRP A 52 -0.161 18.654 -15.908 1.00 0.00 C ATOM 0 H TRP A 52 4.353 13.312 -14.373 1.00 0.00 H new ATOM 0 HA TRP A 52 5.197 15.309 -13.889 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.489 15.450 -12.645 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.644 16.642 -12.084 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.113 16.941 -15.051 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.915 18.344 -16.865 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.385 16.782 -13.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.294 19.243 -17.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.423 17.943 -14.323 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.973 19.152 -16.417 1.00 0.00 H new ATOM 754 N ARG A 53 4.653 14.789 -10.675 1.00 0.00 N ATOM 755 CA ARG A 53 5.312 14.684 -9.377 1.00 0.00 C ATOM 756 C ARG A 53 6.119 15.942 -9.075 1.00 0.00 C ATOM 757 O ARG A 53 7.330 15.985 -9.296 1.00 0.00 O ATOM 758 CB ARG A 53 6.220 13.450 -9.337 1.00 0.00 C ATOM 759 CG ARG A 53 5.906 12.503 -8.190 1.00 0.00 C ATOM 760 CD ARG A 53 6.617 12.920 -6.912 1.00 0.00 C ATOM 761 NE ARG A 53 6.410 11.958 -5.832 1.00 0.00 N ATOM 762 CZ ARG A 53 6.611 12.234 -4.545 1.00 0.00 C ATOM 763 NH1 ARG A 53 7.025 13.439 -4.174 1.00 0.00 N ATOM 764 NH2 ARG A 53 6.398 11.302 -3.627 1.00 0.00 N ATOM 0 H ARG A 53 3.634 14.805 -10.631 1.00 0.00 H new ATOM 0 HA ARG A 53 4.542 14.579 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.127 12.910 -10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.257 13.775 -9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.830 12.482 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.206 11.490 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.685 13.021 -7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.256 13.900 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 53 6.093 11.020 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.191 14.160 -4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.177 13.644 -3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.080 10.374 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.552 11.513 -2.641 1.00 0.00 H new ATOM 778 N THR A 54 5.440 16.967 -8.570 1.00 0.00 N ATOM 779 CA THR A 54 6.092 18.228 -8.239 1.00 0.00 C ATOM 780 C THR A 54 5.414 18.893 -7.045 1.00 0.00 C ATOM 781 O THR A 54 4.225 18.686 -6.799 1.00 0.00 O ATOM 782 CB THR A 54 6.069 19.171 -9.443 1.00 0.00 C ATOM 783 OG1 THR A 54 5.936 18.440 -10.649 1.00 0.00 O ATOM 784 CG2 THR A 54 7.312 20.025 -9.559 1.00 0.00 C ATOM 0 H THR A 54 4.438 16.949 -8.381 1.00 0.00 H new ATOM 0 HA THR A 54 7.128 18.014 -7.974 1.00 0.00 H new ATOM 0 HB THR A 54 5.213 19.826 -9.281 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.922 19.060 -11.408 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.230 20.670 -10.434 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.417 20.639 -8.664 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.186 19.383 -9.663 1.00 0.00 H new ATOM 792 N PHE A 55 6.177 19.694 -6.307 1.00 0.00 N ATOM 793 CA PHE A 55 5.649 20.390 -5.139 1.00 0.00 C ATOM 794 C PHE A 55 5.271 21.825 -5.487 1.00 0.00 C ATOM 795 O PHE A 55 5.488 22.745 -4.697 1.00 0.00 O ATOM 796 CB PHE A 55 6.676 20.380 -4.006 1.00 0.00 C ATOM 797 CG PHE A 55 8.046 20.827 -4.434 1.00 0.00 C ATOM 798 CD1 PHE A 55 8.398 22.167 -4.383 1.00 0.00 C ATOM 799 CD2 PHE A 55 8.980 19.909 -4.884 1.00 0.00 C ATOM 800 CE1 PHE A 55 9.656 22.581 -4.776 1.00 0.00 C ATOM 801 CE2 PHE A 55 10.240 20.316 -5.277 1.00 0.00 C ATOM 802 CZ PHE A 55 10.579 21.655 -5.223 1.00 0.00 C ATOM 0 H PHE A 55 7.162 19.877 -6.497 1.00 0.00 H new ATOM 0 HA PHE A 55 4.751 19.867 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.325 21.028 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.743 19.372 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.681 22.895 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.720 18.862 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.918 23.628 -4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.959 19.589 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.563 21.977 -5.530 1.00 0.00 H new ATOM 812 N SER A 56 4.702 22.011 -6.675 1.00 0.00 N ATOM 813 CA SER A 56 4.293 23.336 -7.127 1.00 0.00 C ATOM 814 C SER A 56 5.490 24.278 -7.206 1.00 0.00 C ATOM 815 O SER A 56 6.552 23.995 -6.654 1.00 0.00 O ATOM 816 CB SER A 56 3.234 23.915 -6.186 1.00 0.00 C ATOM 817 OG SER A 56 2.457 22.887 -5.598 1.00 0.00 O ATOM 0 H SER A 56 4.514 21.261 -7.341 1.00 0.00 H new ATOM 0 HA SER A 56 3.866 23.236 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.719 24.501 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.585 24.595 -6.738 1.00 0.00 H new ATOM 0 HG SER A 56 1.789 23.283 -5.000 1.00 0.00 H new ATOM 823 N ASN A 57 5.310 25.398 -7.899 1.00 0.00 N ATOM 824 CA ASN A 57 6.375 26.381 -8.051 1.00 0.00 C ATOM 825 C ASN A 57 6.585 27.160 -6.756 1.00 0.00 C ATOM 826 O ASN A 57 5.625 27.595 -6.119 1.00 0.00 O ATOM 827 CB ASN A 57 6.049 27.345 -9.193 1.00 0.00 C ATOM 828 CG ASN A 57 7.275 27.715 -10.004 1.00 0.00 C ATOM 829 OD1 ASN A 57 8.330 27.096 -9.874 1.00 0.00 O ATOM 830 ND2 ASN A 57 7.140 28.731 -10.850 1.00 0.00 N ATOM 0 H ASN A 57 4.437 25.647 -8.364 1.00 0.00 H new ATOM 0 HA ASN A 57 7.296 25.848 -8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.307 26.890 -9.849 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.600 28.250 -8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.930 29.025 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.246 29.216 -10.926 1.00 0.00 H new ATOM 837 N ASP A 58 7.845 27.334 -6.373 1.00 0.00 N ATOM 838 CA ASP A 58 8.181 28.060 -5.154 1.00 0.00 C ATOM 839 C ASP A 58 8.281 29.559 -5.424 1.00 0.00 C ATOM 840 O ASP A 58 7.929 30.377 -4.573 1.00 0.00 O ATOM 841 CB ASP A 58 9.500 27.547 -4.576 1.00 0.00 C ATOM 842 CG ASP A 58 9.501 27.531 -3.059 1.00 0.00 C ATOM 843 OD1 ASP A 58 9.295 28.604 -2.455 1.00 0.00 O ATOM 844 OD2 ASP A 58 9.706 26.445 -2.477 1.00 0.00 O ATOM 0 H ASP A 58 8.651 26.982 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 58 7.385 27.890 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.688 26.540 -4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.317 28.175 -4.930 1.00 0.00 H new ATOM 849 N LYS A 59 8.761 29.910 -6.611 1.00 0.00 N ATOM 850 CA LYS A 59 8.906 31.310 -6.992 1.00 0.00 C ATOM 851 C LYS A 59 7.669 31.803 -7.737 1.00 0.00 C ATOM 852 O LYS A 59 6.861 30.954 -8.168 1.00 0.00 O ATOM 853 CB LYS A 59 10.150 31.496 -7.865 1.00 0.00 C ATOM 854 CG LYS A 59 10.908 32.781 -7.576 1.00 0.00 C ATOM 855 CD LYS A 59 12.406 32.536 -7.467 1.00 0.00 C ATOM 856 CE LYS A 59 12.752 31.735 -6.221 1.00 0.00 C ATOM 857 NZ LYS A 59 13.367 30.421 -6.559 1.00 0.00 N ATOM 0 H LYS A 59 9.056 29.245 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 59 9.018 31.899 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.819 30.648 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.853 31.487 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.714 33.504 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.542 33.219 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.754 32.002 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.931 33.491 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.440 32.309 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.850 31.573 -5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.325 29.794 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.847 29.987 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.360 30.563 -6.835 1.00 0.00 H new TER 871 LYS A 59