USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 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 -139:sc= -1.73 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -5.94! C(o=-17!,f=-19!) USER MOD Set 1.3: A 34 CYS SG : rot 173:sc= -3.1! USER MOD Set 1.4: A 37 CYS SG : rot -83:sc= -6.13! 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 180:sc= -1.86 USER MOD Single : A 17 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.61) 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 -63:sc= 0.41 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0578 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 57 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -23.736 7.372 -5.408 1.00 0.00 N ATOM 2 CA ALA A 2 -23.244 8.774 -5.430 1.00 0.00 C ATOM 3 C ALA A 2 -22.421 9.045 -6.686 1.00 0.00 C ATOM 4 O ALA A 2 -21.281 8.595 -6.802 1.00 0.00 O ATOM 5 CB ALA A 2 -22.417 9.062 -4.187 1.00 0.00 C ATOM 0 HA ALA A 2 -24.109 9.437 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.063 10.092 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.032 8.914 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.563 8.386 -4.154 1.00 0.00 H new ATOM 10 N SER A 3 -23.006 9.784 -7.623 1.00 0.00 N ATOM 11 CA SER A 3 -22.325 10.115 -8.869 1.00 0.00 C ATOM 12 C SER A 3 -21.109 10.998 -8.606 1.00 0.00 C ATOM 13 O SER A 3 -20.115 10.932 -9.328 1.00 0.00 O ATOM 14 CB SER A 3 -23.286 10.823 -9.827 1.00 0.00 C ATOM 15 OG SER A 3 -24.404 10.004 -10.125 1.00 0.00 O ATOM 0 H SER A 3 -23.949 10.165 -7.543 1.00 0.00 H new ATOM 0 HA SER A 3 -21.985 9.186 -9.327 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.625 11.759 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.763 11.079 -10.748 1.00 0.00 H new ATOM 0 HG SER A 3 -25.004 10.479 -10.737 1.00 0.00 H new ATOM 21 N THR A 4 -21.196 11.822 -7.566 1.00 0.00 N ATOM 22 CA THR A 4 -20.103 12.717 -7.208 1.00 0.00 C ATOM 23 C THR A 4 -18.973 11.951 -6.527 1.00 0.00 C ATOM 24 O THR A 4 -17.801 12.298 -6.668 1.00 0.00 O ATOM 25 CB THR A 4 -20.608 13.829 -6.286 1.00 0.00 C ATOM 26 OG1 THR A 4 -21.131 13.287 -5.087 1.00 0.00 O ATOM 27 CG2 THR A 4 -21.687 14.683 -6.914 1.00 0.00 C ATOM 0 H THR A 4 -22.012 11.888 -6.957 1.00 0.00 H new ATOM 0 HA THR A 4 -19.716 13.162 -8.125 1.00 0.00 H new ATOM 0 HB THR A 4 -19.740 14.458 -6.089 1.00 0.00 H new ATOM 0 HG1 THR A 4 -21.447 14.013 -4.510 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.000 15.452 -6.207 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.298 15.156 -7.816 1.00 0.00 H new ATOM 0 HG23 THR A 4 -22.542 14.058 -7.172 1.00 0.00 H new ATOM 35 N SER A 5 -19.333 10.905 -5.790 1.00 0.00 N ATOM 36 CA SER A 5 -18.350 10.088 -5.087 1.00 0.00 C ATOM 37 C SER A 5 -17.384 9.435 -6.070 1.00 0.00 C ATOM 38 O SER A 5 -17.748 9.134 -7.207 1.00 0.00 O ATOM 39 CB SER A 5 -19.052 9.015 -4.253 1.00 0.00 C ATOM 40 OG SER A 5 -19.298 9.473 -2.935 1.00 0.00 O ATOM 0 H SER A 5 -20.299 10.603 -5.664 1.00 0.00 H new ATOM 0 HA SER A 5 -17.780 10.738 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.994 8.740 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.437 8.116 -4.220 1.00 0.00 H new ATOM 0 HG SER A 5 -19.749 8.769 -2.423 1.00 0.00 H new ATOM 46 N ARG A 6 -16.150 9.219 -5.624 1.00 0.00 N ATOM 47 CA ARG A 6 -15.132 8.600 -6.465 1.00 0.00 C ATOM 48 C ARG A 6 -14.950 7.128 -6.106 1.00 0.00 C ATOM 49 O ARG A 6 -15.459 6.244 -6.794 1.00 0.00 O ATOM 50 CB ARG A 6 -13.801 9.342 -6.322 1.00 0.00 C ATOM 51 CG ARG A 6 -13.746 10.649 -7.098 1.00 0.00 C ATOM 52 CD ARG A 6 -12.330 11.202 -7.162 1.00 0.00 C ATOM 53 NE ARG A 6 -11.755 11.079 -8.499 1.00 0.00 N ATOM 54 CZ ARG A 6 -12.026 11.913 -9.502 1.00 0.00 C ATOM 55 NH1 ARG A 6 -12.861 12.928 -9.324 1.00 0.00 N ATOM 56 NH2 ARG A 6 -11.459 11.729 -10.686 1.00 0.00 N ATOM 0 H ARG A 6 -15.832 9.463 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.465 8.663 -7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.621 9.548 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -12.994 8.693 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.121 10.489 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.402 11.381 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.337 12.251 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.701 10.672 -6.447 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.108 10.310 -8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.300 13.074 -8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.064 13.563 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.816 10.950 -10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.665 12.367 -11.455 1.00 0.00 H new ATOM 70 N LEU A 7 -14.221 6.872 -5.023 1.00 0.00 N ATOM 71 CA LEU A 7 -13.972 5.507 -4.571 1.00 0.00 C ATOM 72 C LEU A 7 -13.103 5.500 -3.316 1.00 0.00 C ATOM 73 O LEU A 7 -12.790 6.553 -2.760 1.00 0.00 O ATOM 74 CB LEU A 7 -13.297 4.694 -5.681 1.00 0.00 C ATOM 75 CG LEU A 7 -14.218 3.725 -6.425 1.00 0.00 C ATOM 76 CD1 LEU A 7 -13.874 3.691 -7.906 1.00 0.00 C ATOM 77 CD2 LEU A 7 -14.124 2.332 -5.821 1.00 0.00 C ATOM 0 H LEU A 7 -13.792 7.593 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.931 5.049 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.862 5.385 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.474 4.127 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.244 4.076 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.540 2.996 -8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.994 4.688 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.842 3.364 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.785 1.655 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.098 1.972 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.421 2.369 -4.773 1.00 0.00 H new ATOM 89 N ASP A 8 -12.713 4.307 -2.879 1.00 0.00 N ATOM 90 CA ASP A 8 -11.879 4.161 -1.692 1.00 0.00 C ATOM 91 C ASP A 8 -10.537 3.530 -2.049 1.00 0.00 C ATOM 92 O ASP A 8 -10.402 2.306 -2.071 1.00 0.00 O ATOM 93 CB ASP A 8 -12.594 3.311 -0.640 1.00 0.00 C ATOM 94 CG ASP A 8 -12.423 3.863 0.762 1.00 0.00 C ATOM 95 OD1 ASP A 8 -11.419 4.563 1.006 1.00 0.00 O ATOM 96 OD2 ASP A 8 -13.295 3.594 1.615 1.00 0.00 O ATOM 0 H ASP A 8 -12.962 3.426 -3.330 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.697 5.154 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.656 3.258 -0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.208 2.292 -0.676 1.00 0.00 H new ATOM 101 N ALA A 9 -9.547 4.372 -2.329 1.00 0.00 N ATOM 102 CA ALA A 9 -8.217 3.895 -2.688 1.00 0.00 C ATOM 103 C ALA A 9 -7.270 3.949 -1.495 1.00 0.00 C ATOM 104 O ALA A 9 -6.918 5.028 -1.017 1.00 0.00 O ATOM 105 CB ALA A 9 -7.660 4.710 -3.844 1.00 0.00 C ATOM 0 H ALA A 9 -9.641 5.388 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.304 2.854 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.666 4.344 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.318 4.613 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.596 5.758 -3.552 1.00 0.00 H new ATOM 111 N LEU A 10 -6.858 2.776 -1.021 1.00 0.00 N ATOM 112 CA LEU A 10 -5.946 2.685 0.115 1.00 0.00 C ATOM 113 C LEU A 10 -5.638 1.226 0.443 1.00 0.00 C ATOM 114 O LEU A 10 -4.481 0.804 0.404 1.00 0.00 O ATOM 115 CB LEU A 10 -6.542 3.387 1.340 1.00 0.00 C ATOM 116 CG LEU A 10 -5.716 4.560 1.879 1.00 0.00 C ATOM 117 CD1 LEU A 10 -6.374 5.885 1.527 1.00 0.00 C ATOM 118 CD2 LEU A 10 -5.534 4.437 3.385 1.00 0.00 C ATOM 0 H LEU A 10 -7.142 1.875 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.015 3.184 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.537 3.750 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.666 2.653 2.136 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.732 4.531 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.772 6.705 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.451 5.976 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.371 5.924 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.945 5.278 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.510 4.439 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.017 3.505 3.614 1.00 0.00 H new ATOM 130 N PRO A 11 -6.671 0.432 0.773 1.00 0.00 N ATOM 131 CA PRO A 11 -6.504 -0.983 1.108 1.00 0.00 C ATOM 132 C PRO A 11 -6.390 -1.864 -0.131 1.00 0.00 C ATOM 133 O PRO A 11 -6.238 -1.369 -1.247 1.00 0.00 O ATOM 134 CB PRO A 11 -7.787 -1.302 1.870 1.00 0.00 C ATOM 135 CG PRO A 11 -8.811 -0.412 1.256 1.00 0.00 C ATOM 136 CD PRO A 11 -8.088 0.848 0.848 1.00 0.00 C ATOM 0 HA PRO A 11 -5.590 -1.170 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.060 -2.352 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.676 -1.104 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.275 -0.890 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.609 -0.190 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.446 1.222 -0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.233 1.646 1.576 1.00 0.00 H new ATOM 144 N ARG A 12 -6.471 -3.174 0.076 1.00 0.00 N ATOM 145 CA ARG A 12 -6.384 -4.130 -1.022 1.00 0.00 C ATOM 146 C ARG A 12 -7.350 -5.287 -0.800 1.00 0.00 C ATOM 147 O ARG A 12 -7.373 -5.892 0.272 1.00 0.00 O ATOM 148 CB ARG A 12 -4.955 -4.660 -1.154 1.00 0.00 C ATOM 149 CG ARG A 12 -4.615 -5.147 -2.553 1.00 0.00 C ATOM 150 CD ARG A 12 -4.835 -4.059 -3.593 1.00 0.00 C ATOM 151 NE ARG A 12 -5.985 -4.345 -4.449 1.00 0.00 N ATOM 152 CZ ARG A 12 -6.257 -3.682 -5.570 1.00 0.00 C ATOM 153 NH1 ARG A 12 -5.464 -2.698 -5.976 1.00 0.00 N ATOM 154 NH2 ARG A 12 -7.324 -4.005 -6.289 1.00 0.00 N ATOM 0 H ARG A 12 -6.597 -3.598 0.995 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.657 -3.618 -1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.256 -3.872 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.813 -5.479 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.576 -5.475 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.229 -6.014 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.985 -3.103 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.941 -3.959 -4.208 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.616 -5.097 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.641 -2.447 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.677 -2.193 -6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.936 -4.761 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.533 -3.497 -7.148 1.00 0.00 H new ATOM 168 N VAL A 13 -8.152 -5.591 -1.817 1.00 0.00 N ATOM 169 CA VAL A 13 -9.122 -6.676 -1.724 1.00 0.00 C ATOM 170 C VAL A 13 -8.458 -7.969 -1.237 1.00 0.00 C ATOM 171 O VAL A 13 -8.417 -8.233 -0.035 1.00 0.00 O ATOM 172 CB VAL A 13 -9.826 -6.920 -3.079 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.803 -8.084 -2.981 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.537 -5.658 -3.541 1.00 0.00 C ATOM 0 H VAL A 13 -8.149 -5.102 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.875 -6.375 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.067 -7.179 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.286 -8.236 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.264 -8.988 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.559 -7.862 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.028 -5.846 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.283 -5.369 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.811 -4.853 -3.658 1.00 0.00 H new ATOM 184 N THR A 14 -7.942 -8.768 -2.167 1.00 0.00 N ATOM 185 CA THR A 14 -7.286 -10.023 -1.816 1.00 0.00 C ATOM 186 C THR A 14 -6.654 -10.663 -3.045 1.00 0.00 C ATOM 187 O THR A 14 -6.776 -10.154 -4.160 1.00 0.00 O ATOM 188 CB THR A 14 -8.286 -10.999 -1.181 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.574 -10.416 -1.085 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.886 -11.456 0.207 1.00 0.00 C ATOM 0 H THR A 14 -7.966 -8.569 -3.167 1.00 0.00 H new ATOM 0 HA THR A 14 -6.502 -9.799 -1.092 1.00 0.00 H new ATOM 0 HB THR A 14 -8.294 -11.865 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.194 -11.057 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.638 -12.143 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.922 -11.962 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.810 -10.592 0.867 1.00 0.00 H new ATOM 198 N CYS A 15 -5.980 -11.782 -2.827 1.00 0.00 N ATOM 199 CA CYS A 15 -5.323 -12.509 -3.904 1.00 0.00 C ATOM 200 C CYS A 15 -6.349 -13.163 -4.825 1.00 0.00 C ATOM 201 O CYS A 15 -7.318 -13.761 -4.357 1.00 0.00 O ATOM 202 CB CYS A 15 -4.409 -13.577 -3.311 1.00 0.00 C ATOM 203 SG CYS A 15 -3.348 -14.408 -4.515 1.00 0.00 S ATOM 0 H CYS A 15 -5.873 -12.209 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.735 -11.804 -4.492 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.781 -13.117 -2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.023 -14.325 -2.809 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.300 -15.679 -4.247 1.00 0.00 H new ATOM 209 N PRO A 16 -6.150 -13.072 -6.152 1.00 0.00 N ATOM 210 CA PRO A 16 -7.067 -13.674 -7.124 1.00 0.00 C ATOM 211 C PRO A 16 -7.130 -15.191 -6.986 1.00 0.00 C ATOM 212 O PRO A 16 -8.097 -15.824 -7.410 1.00 0.00 O ATOM 213 CB PRO A 16 -6.469 -13.283 -8.481 1.00 0.00 C ATOM 214 CG PRO A 16 -5.041 -12.973 -8.194 1.00 0.00 C ATOM 215 CD PRO A 16 -5.021 -12.391 -6.812 1.00 0.00 C ATOM 0 HA PRO A 16 -8.091 -13.328 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.560 -14.095 -9.202 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.983 -12.421 -8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.427 -13.872 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.640 -12.268 -8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.077 -12.589 -6.304 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.155 -11.309 -6.827 1.00 0.00 H new ATOM 223 N ASN A 17 -6.093 -15.770 -6.388 1.00 0.00 N ATOM 224 CA ASN A 17 -6.028 -17.213 -6.192 1.00 0.00 C ATOM 225 C ASN A 17 -6.032 -17.570 -4.709 1.00 0.00 C ATOM 226 O ASN A 17 -6.214 -18.732 -4.348 1.00 0.00 O ATOM 227 CB ASN A 17 -4.773 -17.781 -6.861 1.00 0.00 C ATOM 228 CG ASN A 17 -5.096 -18.592 -8.100 1.00 0.00 C ATOM 229 OD1 ASN A 17 -6.084 -19.326 -8.134 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.262 -18.464 -9.125 1.00 0.00 N ATOM 0 H ASN A 17 -5.285 -15.260 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.913 -17.654 -6.651 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.106 -16.962 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.237 -18.408 -6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.428 -18.986 -9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.456 -17.844 -9.052 1.00 0.00 H new ATOM 237 N HIS A 18 -5.837 -16.572 -3.848 1.00 0.00 N ATOM 238 CA HIS A 18 -5.827 -16.813 -2.413 1.00 0.00 C ATOM 239 C HIS A 18 -6.831 -15.922 -1.691 1.00 0.00 C ATOM 240 O HIS A 18 -6.482 -14.852 -1.194 1.00 0.00 O ATOM 241 CB HIS A 18 -4.426 -16.621 -1.836 1.00 0.00 C ATOM 242 CG HIS A 18 -3.462 -17.689 -2.242 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.239 -17.418 -2.816 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.537 -19.037 -2.144 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.603 -18.550 -3.052 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.369 -19.548 -2.655 1.00 0.00 N ATOM 0 H HIS A 18 -5.686 -15.600 -4.119 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.125 -17.849 -2.254 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.040 -15.653 -2.156 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.490 -16.595 -0.748 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.362 -19.605 -1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.622 -18.643 -3.495 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.132 -20.538 -2.717 1.00 0.00 H new ATOM 255 N PRO A 19 -8.095 -16.377 -1.597 1.00 0.00 N ATOM 256 CA PRO A 19 -9.162 -15.647 -0.903 1.00 0.00 C ATOM 257 C PRO A 19 -9.010 -15.772 0.602 1.00 0.00 C ATOM 258 O PRO A 19 -9.987 -15.888 1.340 1.00 0.00 O ATOM 259 CB PRO A 19 -10.421 -16.369 -1.361 1.00 0.00 C ATOM 260 CG PRO A 19 -9.964 -17.770 -1.551 1.00 0.00 C ATOM 261 CD PRO A 19 -8.581 -17.662 -2.135 1.00 0.00 C ATOM 0 HA PRO A 19 -9.162 -14.580 -1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.215 -16.303 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.813 -15.945 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.950 -18.311 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.632 -18.314 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.947 -18.494 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.602 -17.662 -3.225 1.00 0.00 H new ATOM 269 N ASP A 20 -7.766 -15.737 1.037 1.00 0.00 N ATOM 270 CA ASP A 20 -7.426 -15.836 2.437 1.00 0.00 C ATOM 271 C ASP A 20 -6.134 -15.071 2.682 1.00 0.00 C ATOM 272 O ASP A 20 -6.012 -14.322 3.651 1.00 0.00 O ATOM 273 CB ASP A 20 -7.268 -17.301 2.852 1.00 0.00 C ATOM 274 CG ASP A 20 -8.274 -17.712 3.911 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.382 -17.137 3.932 1.00 0.00 O ATOM 276 OD2 ASP A 20 -7.952 -18.609 4.719 1.00 0.00 O ATOM 0 H ASP A 20 -6.959 -15.638 0.422 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.227 -15.405 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.385 -17.939 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.259 -17.462 3.231 1.00 0.00 H new ATOM 281 N ALA A 21 -5.182 -15.250 1.770 1.00 0.00 N ATOM 282 CA ALA A 21 -3.906 -14.561 1.857 1.00 0.00 C ATOM 283 C ALA A 21 -4.058 -13.126 1.372 1.00 0.00 C ATOM 284 O ALA A 21 -3.868 -12.829 0.190 1.00 0.00 O ATOM 285 CB ALA A 21 -2.841 -15.289 1.060 1.00 0.00 C ATOM 0 H ALA A 21 -5.274 -15.867 0.963 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.588 -14.547 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.895 -14.753 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.720 -16.299 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.141 -15.339 0.013 1.00 0.00 H new ATOM 291 N ILE A 22 -4.458 -12.273 2.304 1.00 0.00 N ATOM 292 CA ILE A 22 -4.700 -10.862 2.025 1.00 0.00 C ATOM 293 C ILE A 22 -3.409 -10.096 1.745 1.00 0.00 C ATOM 294 O ILE A 22 -2.929 -9.348 2.595 1.00 0.00 O ATOM 295 CB ILE A 22 -5.450 -10.175 3.184 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.520 -11.105 3.764 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.074 -8.875 2.702 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.172 -11.645 5.134 1.00 0.00 C ATOM 0 H ILE A 22 -4.624 -12.538 3.275 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.320 -10.838 1.129 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.736 -9.948 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.465 -10.565 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.673 -11.941 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.602 -8.397 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.292 -8.209 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.777 -9.086 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.974 -12.296 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.243 -12.213 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.048 -10.816 5.831 1.00 0.00 H new ATOM 310 N LEU A 23 -2.862 -10.298 0.536 1.00 0.00 N ATOM 311 CA LEU A 23 -1.623 -9.630 0.108 1.00 0.00 C ATOM 312 C LEU A 23 -1.288 -8.471 1.035 1.00 0.00 C ATOM 313 O LEU A 23 -2.026 -7.496 1.118 1.00 0.00 O ATOM 314 CB LEU A 23 -1.748 -9.112 -1.329 1.00 0.00 C ATOM 315 CG LEU A 23 -1.280 -10.077 -2.419 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.474 -10.800 -3.027 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.485 -9.328 -3.486 1.00 0.00 C ATOM 0 H LEU A 23 -3.261 -10.922 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.821 -10.366 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.791 -8.859 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.175 -8.189 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.622 -10.824 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.129 -11.484 -3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.993 -11.363 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.157 -10.071 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.159 -10.028 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.114 -8.561 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.386 -8.859 -3.029 1.00 0.00 H new ATOM 329 N VAL A 24 -0.201 -8.591 1.760 1.00 0.00 N ATOM 330 CA VAL A 24 0.178 -7.556 2.699 1.00 0.00 C ATOM 331 C VAL A 24 0.905 -6.413 2.016 1.00 0.00 C ATOM 332 O VAL A 24 1.416 -6.555 0.910 1.00 0.00 O ATOM 333 CB VAL A 24 1.019 -8.134 3.837 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.082 -7.164 5.008 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.434 -9.472 4.259 1.00 0.00 C ATOM 0 H VAL A 24 0.434 -9.388 1.720 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.740 -7.150 3.123 1.00 0.00 H new ATOM 0 HB VAL A 24 2.041 -8.289 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.686 -7.596 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.531 -6.227 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.074 -6.974 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.030 -9.890 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.592 -9.330 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.445 -10.157 3.411 1.00 0.00 H new ATOM 345 N GLU A 25 0.905 -5.273 2.682 1.00 0.00 N ATOM 346 CA GLU A 25 1.511 -4.078 2.165 1.00 0.00 C ATOM 347 C GLU A 25 3.007 -4.105 2.350 1.00 0.00 C ATOM 348 O GLU A 25 3.524 -4.512 3.389 1.00 0.00 O ATOM 349 CB GLU A 25 0.919 -2.841 2.841 1.00 0.00 C ATOM 350 CG GLU A 25 -0.554 -2.627 2.534 1.00 0.00 C ATOM 351 CD GLU A 25 -0.853 -1.219 2.061 1.00 0.00 C ATOM 352 OE1 GLU A 25 -1.087 -0.341 2.918 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.853 -0.994 0.832 1.00 0.00 O ATOM 0 H GLU A 25 0.480 -5.158 3.602 1.00 0.00 H new ATOM 0 HA GLU A 25 1.299 -4.031 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.048 -2.930 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.479 -1.961 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.869 -3.337 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.142 -2.839 3.427 1.00 0.00 H new ATOM 360 N ASP A 26 3.677 -3.644 1.324 1.00 0.00 N ATOM 361 CA ASP A 26 5.116 -3.560 1.285 1.00 0.00 C ATOM 362 C ASP A 26 5.844 -4.757 1.894 1.00 0.00 C ATOM 363 O ASP A 26 5.848 -4.952 3.109 1.00 0.00 O ATOM 364 CB ASP A 26 5.587 -2.266 1.947 1.00 0.00 C ATOM 365 CG ASP A 26 5.158 -1.032 1.178 1.00 0.00 C ATOM 366 OD1 ASP A 26 3.946 -0.892 0.908 1.00 0.00 O ATOM 367 OD2 ASP A 26 6.033 -0.207 0.843 1.00 0.00 O ATOM 0 H ASP A 26 3.227 -3.309 0.472 1.00 0.00 H new ATOM 0 HA ASP A 26 5.378 -3.566 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.190 -2.215 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.674 -2.279 2.030 1.00 0.00 H new ATOM 372 N TYR A 27 6.491 -5.535 1.027 1.00 0.00 N ATOM 373 CA TYR A 27 7.262 -6.699 1.447 1.00 0.00 C ATOM 374 C TYR A 27 8.439 -6.921 0.497 1.00 0.00 C ATOM 375 O TYR A 27 8.275 -6.937 -0.722 1.00 0.00 O ATOM 376 CB TYR A 27 6.372 -7.943 1.499 1.00 0.00 C ATOM 377 CG TYR A 27 7.082 -9.235 1.136 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.409 -9.525 -0.185 1.00 0.00 C ATOM 379 CD2 TYR A 27 7.424 -10.161 2.114 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.054 -10.700 -0.519 1.00 0.00 C ATOM 381 CE2 TYR A 27 8.072 -11.338 1.787 1.00 0.00 C ATOM 382 CZ TYR A 27 8.384 -11.603 0.471 1.00 0.00 C ATOM 383 OH TYR A 27 9.027 -12.774 0.142 1.00 0.00 O ATOM 0 H TYR A 27 6.494 -5.375 0.020 1.00 0.00 H new ATOM 0 HA TYR A 27 7.651 -6.516 2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.960 -8.039 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.530 -7.802 0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.154 -8.820 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.180 -9.958 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.299 -10.911 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.332 -12.046 2.559 1.00 0.00 H new ATOM 0 HH TYR A 27 9.188 -13.298 0.954 1.00 0.00 H new ATOM 393 N ARG A 28 9.630 -7.085 1.072 1.00 0.00 N ATOM 394 CA ARG A 28 10.849 -7.302 0.293 1.00 0.00 C ATOM 395 C ARG A 28 11.065 -6.188 -0.729 1.00 0.00 C ATOM 396 O ARG A 28 11.759 -6.377 -1.728 1.00 0.00 O ATOM 397 CB ARG A 28 10.793 -8.656 -0.419 1.00 0.00 C ATOM 398 CG ARG A 28 11.515 -9.766 0.328 1.00 0.00 C ATOM 399 CD ARG A 28 13.000 -9.469 0.465 1.00 0.00 C ATOM 400 NE ARG A 28 13.594 -9.051 -0.801 1.00 0.00 N ATOM 401 CZ ARG A 28 13.924 -9.893 -1.779 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.720 -11.197 -1.639 1.00 0.00 N ATOM 403 NH2 ARG A 28 14.460 -9.430 -2.900 1.00 0.00 N ATOM 0 H ARG A 28 9.777 -7.072 2.081 1.00 0.00 H new ATOM 0 HA ARG A 28 11.689 -7.294 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.750 -8.941 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.230 -8.553 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.074 -9.887 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.379 -10.710 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.146 -8.686 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.515 -10.357 0.831 1.00 0.00 H new ATOM 0 HE ARG A 28 13.766 -8.056 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.308 -11.559 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.975 -11.837 -2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.620 -8.429 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.713 -10.075 -3.649 1.00 0.00 H new ATOM 417 N ALA A 29 10.468 -5.028 -0.472 1.00 0.00 N ATOM 418 CA ALA A 29 10.594 -3.878 -1.364 1.00 0.00 C ATOM 419 C ALA A 29 9.621 -2.780 -0.957 1.00 0.00 C ATOM 420 O ALA A 29 10.010 -1.786 -0.344 1.00 0.00 O ATOM 421 CB ALA A 29 10.353 -4.291 -2.812 1.00 0.00 C ATOM 0 H ALA A 29 9.889 -4.858 0.351 1.00 0.00 H new ATOM 0 HA ALA A 29 11.610 -3.491 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.451 -3.420 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.086 -5.044 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.349 -4.705 -2.910 1.00 0.00 H new ATOM 427 N GLY A 30 8.351 -2.975 -1.293 1.00 0.00 N ATOM 428 CA GLY A 30 7.335 -2.000 -0.946 1.00 0.00 C ATOM 429 C GLY A 30 6.003 -2.241 -1.638 1.00 0.00 C ATOM 430 O GLY A 30 5.140 -1.364 -1.653 1.00 0.00 O ATOM 0 H GLY A 30 8.007 -3.791 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.183 -2.014 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.695 -1.004 -1.204 1.00 0.00 H new ATOM 434 N ASP A 31 5.835 -3.428 -2.215 1.00 0.00 N ATOM 435 CA ASP A 31 4.603 -3.774 -2.913 1.00 0.00 C ATOM 436 C ASP A 31 3.732 -4.699 -2.058 1.00 0.00 C ATOM 437 O ASP A 31 3.969 -4.847 -0.862 1.00 0.00 O ATOM 438 CB ASP A 31 4.946 -4.430 -4.248 1.00 0.00 C ATOM 439 CG ASP A 31 5.544 -3.451 -5.238 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.700 -2.264 -4.881 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.861 -3.873 -6.371 1.00 0.00 O ATOM 0 H ASP A 31 6.539 -4.167 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 31 4.031 -2.865 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.649 -5.246 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.045 -4.870 -4.676 1.00 0.00 H new ATOM 446 N MET A 32 2.714 -5.311 -2.670 1.00 0.00 N ATOM 447 CA MET A 32 1.809 -6.202 -1.942 1.00 0.00 C ATOM 448 C MET A 32 2.191 -7.672 -2.103 1.00 0.00 C ATOM 449 O MET A 32 2.267 -8.198 -3.207 1.00 0.00 O ATOM 450 CB MET A 32 0.375 -5.986 -2.402 1.00 0.00 C ATOM 451 CG MET A 32 -0.166 -4.609 -2.048 1.00 0.00 C ATOM 452 SD MET A 32 -0.676 -3.661 -3.493 1.00 0.00 S ATOM 453 CE MET A 32 -0.344 -1.992 -2.934 1.00 0.00 C ATOM 0 H MET A 32 2.498 -5.206 -3.661 1.00 0.00 H new ATOM 0 HA MET A 32 1.896 -5.954 -0.884 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.322 -6.124 -3.482 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.263 -6.747 -1.952 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.016 -4.721 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.599 -4.052 -1.506 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.609 -1.285 -3.721 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.936 -1.782 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.715 -1.891 -2.698 1.00 0.00 H new ATOM 463 N ILE A 33 2.471 -8.308 -0.983 1.00 0.00 N ATOM 464 CA ILE A 33 2.901 -9.698 -0.948 1.00 0.00 C ATOM 465 C ILE A 33 1.798 -10.629 -0.454 1.00 0.00 C ATOM 466 O ILE A 33 1.276 -10.453 0.644 1.00 0.00 O ATOM 467 CB ILE A 33 4.123 -9.770 -0.009 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.989 -10.991 -0.273 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.679 -9.733 1.441 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.213 -12.264 -0.391 1.00 0.00 C ATOM 0 H ILE A 33 2.407 -7.874 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 33 3.152 -10.029 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 33 4.739 -8.895 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.553 -10.833 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.715 -11.092 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.553 -9.785 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.139 -8.806 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.026 -10.582 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.897 -13.091 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.670 -12.446 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.506 -12.184 -1.216 1.00 0.00 H new ATOM 482 N CYS A 34 1.480 -11.652 -1.244 1.00 0.00 N ATOM 483 CA CYS A 34 0.486 -12.628 -0.837 1.00 0.00 C ATOM 484 C CYS A 34 1.186 -13.723 -0.056 1.00 0.00 C ATOM 485 O CYS A 34 1.741 -14.632 -0.654 1.00 0.00 O ATOM 486 CB CYS A 34 -0.204 -13.238 -2.050 1.00 0.00 C ATOM 487 SG CYS A 34 -1.601 -14.306 -1.646 1.00 0.00 S ATOM 0 H CYS A 34 1.895 -11.821 -2.160 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.270 -12.137 -0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.551 -12.434 -2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.527 -13.814 -2.618 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.213 -14.652 -2.739 1.00 0.00 H new ATOM 493 N PRO A 35 1.171 -13.659 1.285 1.00 0.00 N ATOM 494 CA PRO A 35 1.832 -14.644 2.148 1.00 0.00 C ATOM 495 C PRO A 35 1.643 -16.093 1.704 1.00 0.00 C ATOM 496 O PRO A 35 2.342 -16.983 2.184 1.00 0.00 O ATOM 497 CB PRO A 35 1.183 -14.415 3.526 1.00 0.00 C ATOM 498 CG PRO A 35 0.106 -13.402 3.306 1.00 0.00 C ATOM 499 CD PRO A 35 0.507 -12.630 2.085 1.00 0.00 C ATOM 0 HA PRO A 35 2.913 -14.504 2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.772 -15.343 3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.916 -14.056 4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.860 -13.885 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.008 -12.743 4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.354 -12.204 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.176 -11.804 2.325 1.00 0.00 H new ATOM 507 N GLU A 36 0.701 -16.333 0.807 1.00 0.00 N ATOM 508 CA GLU A 36 0.431 -17.682 0.339 1.00 0.00 C ATOM 509 C GLU A 36 1.289 -18.031 -0.869 1.00 0.00 C ATOM 510 O GLU A 36 2.162 -18.886 -0.788 1.00 0.00 O ATOM 511 CB GLU A 36 -1.051 -17.828 0.005 1.00 0.00 C ATOM 512 CG GLU A 36 -1.865 -18.453 1.125 1.00 0.00 C ATOM 513 CD GLU A 36 -1.532 -19.916 1.341 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.402 -20.325 1.001 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.402 -20.653 1.851 1.00 0.00 O ATOM 0 H GLU A 36 0.112 -15.613 0.389 1.00 0.00 H new ATOM 0 HA GLU A 36 0.687 -18.379 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.462 -16.845 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.155 -18.437 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.687 -17.903 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.926 -18.356 0.896 1.00 0.00 H new ATOM 522 N CYS A 37 1.092 -17.322 -1.970 1.00 0.00 N ATOM 523 CA CYS A 37 1.911 -17.548 -3.157 1.00 0.00 C ATOM 524 C CYS A 37 3.097 -16.622 -3.079 1.00 0.00 C ATOM 525 O CYS A 37 4.128 -16.833 -3.710 1.00 0.00 O ATOM 526 CB CYS A 37 1.133 -17.278 -4.451 1.00 0.00 C ATOM 527 SG CYS A 37 0.166 -15.751 -4.437 1.00 0.00 S ATOM 0 H CYS A 37 0.384 -16.595 -2.069 1.00 0.00 H new ATOM 0 HA CYS A 37 2.222 -18.593 -3.181 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.837 -17.240 -5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.462 -18.117 -4.639 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.970 -15.962 -3.840 1.00 0.00 H new ATOM 533 N GLY A 38 2.905 -15.586 -2.283 1.00 0.00 N ATOM 534 CA GLY A 38 3.895 -14.578 -2.066 1.00 0.00 C ATOM 535 C GLY A 38 4.113 -13.732 -3.293 1.00 0.00 C ATOM 536 O GLY A 38 5.236 -13.347 -3.620 1.00 0.00 O ATOM 0 H GLY A 38 2.039 -15.430 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.589 -13.941 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.835 -15.048 -1.778 1.00 0.00 H new ATOM 540 N LEU A 39 3.012 -13.446 -3.963 1.00 0.00 N ATOM 541 CA LEU A 39 3.011 -12.641 -5.166 1.00 0.00 C ATOM 542 C LEU A 39 3.172 -11.171 -4.805 1.00 0.00 C ATOM 543 O LEU A 39 2.657 -10.725 -3.781 1.00 0.00 O ATOM 544 CB LEU A 39 1.702 -12.857 -5.910 1.00 0.00 C ATOM 545 CG LEU A 39 0.536 -12.051 -5.354 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.381 -10.792 -6.157 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.751 -12.848 -5.350 1.00 0.00 C ATOM 0 H LEU A 39 2.086 -13.770 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 39 3.843 -12.936 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.844 -12.596 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.447 -13.916 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 39 0.753 -11.800 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.453 -10.210 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.297 -10.204 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.186 -11.047 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.557 -12.236 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.998 -13.146 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.626 -13.737 -4.732 1.00 0.00 H new ATOM 559 N VAL A 40 3.928 -10.443 -5.617 1.00 0.00 N ATOM 560 CA VAL A 40 4.208 -9.049 -5.357 1.00 0.00 C ATOM 561 C VAL A 40 3.525 -8.149 -6.366 1.00 0.00 C ATOM 562 O VAL A 40 3.722 -8.284 -7.573 1.00 0.00 O ATOM 563 CB VAL A 40 5.727 -8.789 -5.395 1.00 0.00 C ATOM 564 CG1 VAL A 40 6.042 -7.370 -4.966 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.463 -9.794 -4.521 1.00 0.00 C ATOM 0 H VAL A 40 4.359 -10.805 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 40 3.820 -8.819 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 40 6.069 -8.914 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.120 -7.210 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.549 -6.668 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.684 -7.209 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.534 -9.595 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.115 -9.705 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.268 -10.803 -4.884 1.00 0.00 H new ATOM 575 N VAL A 41 2.721 -7.227 -5.863 1.00 0.00 N ATOM 576 CA VAL A 41 2.011 -6.299 -6.726 1.00 0.00 C ATOM 577 C VAL A 41 2.130 -4.868 -6.220 1.00 0.00 C ATOM 578 O VAL A 41 1.920 -4.598 -5.038 1.00 0.00 O ATOM 579 CB VAL A 41 0.522 -6.652 -6.854 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.031 -6.187 -8.192 1.00 0.00 C ATOM 581 CG2 VAL A 41 0.341 -8.134 -6.679 1.00 0.00 C ATOM 0 H VAL A 41 2.544 -7.102 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 41 2.479 -6.382 -7.707 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.036 -6.135 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.087 -6.448 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.082 -5.106 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.515 -6.673 -9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.716 -8.385 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.907 -8.663 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.701 -8.431 -5.694 1.00 0.00 H new ATOM 591 N GLY A 42 2.461 -3.951 -7.123 1.00 0.00 N ATOM 592 CA GLY A 42 2.597 -2.556 -6.744 1.00 0.00 C ATOM 593 C GLY A 42 3.917 -1.966 -7.143 1.00 0.00 C ATOM 594 O GLY A 42 4.377 -0.997 -6.542 1.00 0.00 O ATOM 0 H GLY A 42 2.637 -4.148 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.794 -1.980 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.476 -2.465 -5.665 1.00 0.00 H new ATOM 598 N ASP A 43 4.534 -2.551 -8.140 1.00 0.00 N ATOM 599 CA ASP A 43 5.811 -2.077 -8.604 1.00 0.00 C ATOM 600 C ASP A 43 5.614 -0.903 -9.545 1.00 0.00 C ATOM 601 O ASP A 43 5.961 -0.972 -10.723 1.00 0.00 O ATOM 602 CB ASP A 43 6.544 -3.217 -9.293 1.00 0.00 C ATOM 603 CG ASP A 43 8.032 -3.216 -8.998 1.00 0.00 C ATOM 604 OD1 ASP A 43 8.435 -3.804 -7.972 1.00 0.00 O ATOM 605 OD2 ASP A 43 8.795 -2.629 -9.795 1.00 0.00 O ATOM 0 H ASP A 43 4.170 -3.358 -8.646 1.00 0.00 H new ATOM 0 HA ASP A 43 6.412 -1.734 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.114 -4.166 -8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.391 -3.145 -10.370 1.00 0.00 H new ATOM 610 N ARG A 44 5.050 0.181 -9.020 1.00 0.00 N ATOM 611 CA ARG A 44 4.802 1.377 -9.817 1.00 0.00 C ATOM 612 C ARG A 44 5.808 2.471 -9.478 1.00 0.00 C ATOM 613 O ARG A 44 6.451 2.434 -8.428 1.00 0.00 O ATOM 614 CB ARG A 44 3.379 1.888 -9.583 1.00 0.00 C ATOM 615 CG ARG A 44 2.345 0.782 -9.452 1.00 0.00 C ATOM 616 CD ARG A 44 0.933 1.343 -9.403 1.00 0.00 C ATOM 617 NE ARG A 44 -0.064 0.355 -9.809 1.00 0.00 N ATOM 618 CZ ARG A 44 -0.161 -0.136 -11.042 1.00 0.00 C ATOM 619 NH1 ARG A 44 0.677 0.263 -11.991 1.00 0.00 N ATOM 620 NH2 ARG A 44 -1.100 -1.028 -11.328 1.00 0.00 N ATOM 0 H ARG A 44 4.756 0.255 -8.046 1.00 0.00 H new ATOM 0 HA ARG A 44 4.916 1.113 -10.868 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.365 2.495 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.097 2.541 -10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.436 0.096 -10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.540 0.205 -8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.714 1.684 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.866 2.214 -10.055 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.724 0.022 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.400 0.950 -11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.598 -0.117 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.747 -1.337 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.175 -1.405 -12.273 1.00 0.00 H new ATOM 634 N VAL A 45 5.940 3.448 -10.372 1.00 0.00 N ATOM 635 CA VAL A 45 6.867 4.552 -10.162 1.00 0.00 C ATOM 636 C VAL A 45 6.111 5.849 -9.858 1.00 0.00 C ATOM 637 O VAL A 45 5.757 6.105 -8.707 1.00 0.00 O ATOM 638 CB VAL A 45 7.796 4.744 -11.382 1.00 0.00 C ATOM 639 CG1 VAL A 45 8.766 5.895 -11.152 1.00 0.00 C ATOM 640 CG2 VAL A 45 8.549 3.456 -11.680 1.00 0.00 C ATOM 0 H VAL A 45 5.417 3.496 -11.246 1.00 0.00 H new ATOM 0 HA VAL A 45 7.487 4.302 -9.301 1.00 0.00 H new ATOM 0 HB VAL A 45 7.180 4.993 -12.246 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.409 6.009 -12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.206 6.816 -10.991 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.379 5.685 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.199 3.606 -12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.151 3.178 -10.815 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.837 2.660 -11.897 1.00 0.00 H new ATOM 650 N ILE A 46 5.858 6.665 -10.887 1.00 0.00 N ATOM 651 CA ILE A 46 5.142 7.927 -10.715 1.00 0.00 C ATOM 652 C ILE A 46 5.606 8.670 -9.463 1.00 0.00 C ATOM 653 O ILE A 46 5.022 8.523 -8.390 1.00 0.00 O ATOM 654 CB ILE A 46 3.620 7.699 -10.630 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.140 6.865 -11.820 1.00 0.00 C ATOM 656 CG2 ILE A 46 2.883 9.030 -10.579 1.00 0.00 C ATOM 657 CD1 ILE A 46 3.444 5.389 -11.686 1.00 0.00 C ATOM 0 H ILE A 46 6.140 6.471 -11.848 1.00 0.00 H new ATOM 0 HA ILE A 46 5.366 8.535 -11.591 1.00 0.00 H new ATOM 0 HB ILE A 46 3.402 7.151 -9.713 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.064 6.997 -11.935 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.607 7.243 -12.730 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.810 8.850 -10.519 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.206 9.591 -9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.105 9.603 -11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.075 4.860 -12.565 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.521 5.246 -11.601 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.955 4.996 -10.795 1.00 0.00 H new ATOM 669 N ASP A 47 6.660 9.465 -9.609 1.00 0.00 N ATOM 670 CA ASP A 47 7.203 10.226 -8.490 1.00 0.00 C ATOM 671 C ASP A 47 6.306 11.412 -8.149 1.00 0.00 C ATOM 672 O ASP A 47 6.226 11.829 -6.994 1.00 0.00 O ATOM 673 CB ASP A 47 8.615 10.718 -8.815 1.00 0.00 C ATOM 674 CG ASP A 47 9.639 9.600 -8.773 1.00 0.00 C ATOM 675 OD1 ASP A 47 9.439 8.585 -9.472 1.00 0.00 O ATOM 676 OD2 ASP A 47 10.641 9.741 -8.039 1.00 0.00 O ATOM 0 H ASP A 47 7.155 9.599 -10.491 1.00 0.00 H new ATOM 0 HA ASP A 47 7.246 9.565 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.619 11.174 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.899 11.495 -8.105 1.00 0.00 H new ATOM 681 N VAL A 48 5.633 11.949 -9.161 1.00 0.00 N ATOM 682 CA VAL A 48 4.744 13.088 -8.966 1.00 0.00 C ATOM 683 C VAL A 48 5.522 14.317 -8.512 1.00 0.00 C ATOM 684 O VAL A 48 5.584 14.622 -7.321 1.00 0.00 O ATOM 685 CB VAL A 48 3.649 12.774 -7.929 1.00 0.00 C ATOM 686 CG1 VAL A 48 2.621 13.895 -7.880 1.00 0.00 C ATOM 687 CG2 VAL A 48 2.983 11.443 -8.241 1.00 0.00 C ATOM 0 H VAL A 48 5.686 11.614 -10.123 1.00 0.00 H new ATOM 0 HA VAL A 48 4.274 13.293 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 48 4.116 12.698 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.856 13.655 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.113 14.828 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.157 14.007 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.213 11.239 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.529 11.486 -9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.729 10.649 -8.218 1.00 0.00 H new ATOM 697 N GLY A 49 6.118 15.020 -9.471 1.00 0.00 N ATOM 698 CA GLY A 49 6.888 16.208 -9.150 1.00 0.00 C ATOM 699 C GLY A 49 6.360 17.452 -9.840 1.00 0.00 C ATOM 700 O GLY A 49 6.416 18.548 -9.284 1.00 0.00 O ATOM 0 H GLY A 49 6.081 14.788 -10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.876 16.363 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.927 16.051 -9.438 1.00 0.00 H new ATOM 704 N SER A 50 5.847 17.282 -11.056 1.00 0.00 N ATOM 705 CA SER A 50 5.310 18.401 -11.822 1.00 0.00 C ATOM 706 C SER A 50 3.983 18.878 -11.238 1.00 0.00 C ATOM 707 O SER A 50 2.939 18.788 -11.885 1.00 0.00 O ATOM 708 CB SER A 50 5.125 18.000 -13.287 1.00 0.00 C ATOM 709 OG SER A 50 4.547 19.055 -14.035 1.00 0.00 O ATOM 0 H SER A 50 5.792 16.381 -11.531 1.00 0.00 H new ATOM 0 HA SER A 50 6.024 19.223 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.089 17.730 -13.718 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.490 17.116 -13.348 1.00 0.00 H new ATOM 0 HG SER A 50 3.647 19.242 -13.695 1.00 0.00 H new ATOM 715 N GLU A 51 4.030 19.387 -10.011 1.00 0.00 N ATOM 716 CA GLU A 51 2.832 19.880 -9.341 1.00 0.00 C ATOM 717 C GLU A 51 3.173 20.466 -7.973 1.00 0.00 C ATOM 718 O GLU A 51 2.396 20.340 -7.026 1.00 0.00 O ATOM 719 CB GLU A 51 1.809 18.754 -9.184 1.00 0.00 C ATOM 720 CG GLU A 51 0.371 19.245 -9.111 1.00 0.00 C ATOM 721 CD GLU A 51 -0.144 19.332 -7.688 1.00 0.00 C ATOM 722 OE1 GLU A 51 -0.183 18.286 -7.007 1.00 0.00 O ATOM 723 OE2 GLU A 51 -0.508 20.445 -7.255 1.00 0.00 O ATOM 0 H GLU A 51 4.885 19.469 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 51 2.402 20.669 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.907 18.065 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.038 18.190 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.302 20.227 -9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.268 18.573 -9.684 1.00 0.00 H new ATOM 730 N TRP A 52 4.336 21.107 -7.881 1.00 0.00 N ATOM 731 CA TRP A 52 4.786 21.717 -6.631 1.00 0.00 C ATOM 732 C TRP A 52 5.018 20.661 -5.555 1.00 0.00 C ATOM 733 O TRP A 52 6.158 20.377 -5.186 1.00 0.00 O ATOM 734 CB TRP A 52 3.769 22.750 -6.143 1.00 0.00 C ATOM 735 CG TRP A 52 3.783 24.020 -6.938 1.00 0.00 C ATOM 736 CD1 TRP A 52 4.882 24.689 -7.393 1.00 0.00 C ATOM 737 CD2 TRP A 52 2.646 24.774 -7.370 1.00 0.00 C ATOM 738 NE1 TRP A 52 4.498 25.813 -8.083 1.00 0.00 N ATOM 739 CE2 TRP A 52 3.130 25.887 -8.083 1.00 0.00 C ATOM 740 CE3 TRP A 52 1.264 24.615 -7.225 1.00 0.00 C ATOM 741 CZ2 TRP A 52 2.281 26.836 -8.648 1.00 0.00 C ATOM 742 CZ3 TRP A 52 0.424 25.558 -7.786 1.00 0.00 C ATOM 743 CH2 TRP A 52 0.934 26.655 -8.490 1.00 0.00 C ATOM 0 H TRP A 52 4.986 21.218 -8.659 1.00 0.00 H new ATOM 0 HA TRP A 52 5.734 22.218 -6.827 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.771 22.314 -6.186 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.971 22.982 -5.097 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.904 24.380 -7.234 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.128 26.483 -8.523 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.861 23.771 -6.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.672 27.684 -9.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.645 25.447 -7.679 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.250 27.373 -8.917 1.00 0.00 H new ATOM 754 N ARG A 53 3.931 20.082 -5.052 1.00 0.00 N ATOM 755 CA ARG A 53 4.014 19.057 -4.015 1.00 0.00 C ATOM 756 C ARG A 53 4.461 19.662 -2.687 1.00 0.00 C ATOM 757 O ARG A 53 5.485 19.270 -2.126 1.00 0.00 O ATOM 758 CB ARG A 53 4.977 17.943 -4.437 1.00 0.00 C ATOM 759 CG ARG A 53 4.561 16.564 -3.956 1.00 0.00 C ATOM 760 CD ARG A 53 4.544 16.486 -2.437 1.00 0.00 C ATOM 761 NE ARG A 53 4.290 15.128 -1.962 1.00 0.00 N ATOM 762 CZ ARG A 53 3.898 14.837 -0.723 1.00 0.00 C ATOM 763 NH1 ARG A 53 3.714 15.805 0.167 1.00 0.00 N ATOM 764 NH2 ARG A 53 3.688 13.575 -0.374 1.00 0.00 N ATOM 0 H ARG A 53 2.980 20.306 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 53 3.020 18.630 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.052 17.932 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.971 18.168 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.571 16.325 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.248 15.816 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.500 16.834 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.777 17.156 -2.048 1.00 0.00 H new ATOM 0 HE ARG A 53 4.421 14.358 -2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.873 16.777 -0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.414 15.576 1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.827 12.828 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.388 13.351 0.575 1.00 0.00 H new ATOM 778 N THR A 54 3.685 20.619 -2.191 1.00 0.00 N ATOM 779 CA THR A 54 3.996 21.280 -0.929 1.00 0.00 C ATOM 780 C THR A 54 2.720 21.663 -0.187 1.00 0.00 C ATOM 781 O THR A 54 1.615 21.495 -0.705 1.00 0.00 O ATOM 782 CB THR A 54 4.849 22.525 -1.178 1.00 0.00 C ATOM 783 OG1 THR A 54 5.518 22.435 -2.423 1.00 0.00 O ATOM 784 CG2 THR A 54 5.896 22.756 -0.110 1.00 0.00 C ATOM 0 H THR A 54 2.835 20.955 -2.644 1.00 0.00 H new ATOM 0 HA THR A 54 4.559 20.581 -0.310 1.00 0.00 H new ATOM 0 HB THR A 54 4.150 23.361 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.057 23.241 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.466 23.654 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.408 22.880 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.569 21.900 -0.069 1.00 0.00 H new ATOM 792 N PHE A 55 2.878 22.178 1.028 1.00 0.00 N ATOM 793 CA PHE A 55 1.737 22.584 1.840 1.00 0.00 C ATOM 794 C PHE A 55 1.859 24.047 2.257 1.00 0.00 C ATOM 795 O PHE A 55 2.362 24.356 3.337 1.00 0.00 O ATOM 796 CB PHE A 55 1.624 21.696 3.081 1.00 0.00 C ATOM 797 CG PHE A 55 2.861 21.695 3.933 1.00 0.00 C ATOM 798 CD1 PHE A 55 3.999 21.020 3.525 1.00 0.00 C ATOM 799 CD2 PHE A 55 2.883 22.368 5.144 1.00 0.00 C ATOM 800 CE1 PHE A 55 5.138 21.018 4.306 1.00 0.00 C ATOM 801 CE2 PHE A 55 4.020 22.369 5.932 1.00 0.00 C ATOM 802 CZ PHE A 55 5.148 21.692 5.512 1.00 0.00 C ATOM 0 H PHE A 55 3.785 22.324 1.472 1.00 0.00 H new ATOM 0 HA PHE A 55 0.836 22.470 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.779 22.032 3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.407 20.675 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.996 20.489 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.003 22.898 5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.020 20.490 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.025 22.898 6.874 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.037 21.689 6.125 1.00 0.00 H new ATOM 812 N SER A 56 1.395 24.944 1.393 1.00 0.00 N ATOM 813 CA SER A 56 1.451 26.374 1.671 1.00 0.00 C ATOM 814 C SER A 56 2.893 26.834 1.863 1.00 0.00 C ATOM 815 O SER A 56 3.812 26.018 1.919 1.00 0.00 O ATOM 816 CB SER A 56 0.628 26.705 2.918 1.00 0.00 C ATOM 817 OG SER A 56 -0.431 25.779 3.090 1.00 0.00 O ATOM 0 H SER A 56 0.976 24.705 0.494 1.00 0.00 H new ATOM 0 HA SER A 56 1.030 26.902 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.273 26.693 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.223 27.714 2.834 1.00 0.00 H new ATOM 0 HG SER A 56 -0.941 26.011 3.894 1.00 0.00 H new ATOM 823 N ASN A 57 3.081 28.146 1.962 1.00 0.00 N ATOM 824 CA ASN A 57 4.411 28.716 2.148 1.00 0.00 C ATOM 825 C ASN A 57 4.321 30.165 2.615 1.00 0.00 C ATOM 826 O ASN A 57 3.333 30.851 2.353 1.00 0.00 O ATOM 827 CB ASN A 57 5.209 28.636 0.846 1.00 0.00 C ATOM 828 CG ASN A 57 6.683 28.378 1.086 1.00 0.00 C ATOM 829 OD1 ASN A 57 7.075 27.288 1.505 1.00 0.00 O ATOM 830 ND2 ASN A 57 7.511 29.383 0.824 1.00 0.00 N ATOM 0 H ASN A 57 2.330 28.834 1.917 1.00 0.00 H new ATOM 0 HA ASN A 57 4.924 28.137 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.801 27.841 0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.091 29.568 0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.514 29.268 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.144 30.269 0.478 1.00 0.00 H new ATOM 837 N ASP A 58 5.359 30.623 3.308 1.00 0.00 N ATOM 838 CA ASP A 58 5.397 31.991 3.810 1.00 0.00 C ATOM 839 C ASP A 58 5.602 32.984 2.671 1.00 0.00 C ATOM 840 O ASP A 58 4.982 34.047 2.641 1.00 0.00 O ATOM 841 CB ASP A 58 6.514 32.146 4.845 1.00 0.00 C ATOM 842 CG ASP A 58 6.090 31.685 6.225 1.00 0.00 C ATOM 843 OD1 ASP A 58 5.950 30.460 6.426 1.00 0.00 O ATOM 844 OD2 ASP A 58 5.900 32.548 7.107 1.00 0.00 O ATOM 0 H ASP A 58 6.184 30.067 3.534 1.00 0.00 H new ATOM 0 HA ASP A 58 4.439 32.204 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.384 31.573 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.820 33.191 4.892 1.00 0.00 H new ATOM 849 N LYS A 59 6.477 32.630 1.735 1.00 0.00 N ATOM 850 CA LYS A 59 6.765 33.490 0.593 1.00 0.00 C ATOM 851 C LYS A 59 5.617 33.462 -0.412 1.00 0.00 C ATOM 852 O LYS A 59 5.453 32.428 -1.092 1.00 0.00 O ATOM 853 CB LYS A 59 8.063 33.054 -0.087 1.00 0.00 C ATOM 854 CG LYS A 59 8.854 34.206 -0.687 1.00 0.00 C ATOM 855 CD LYS A 59 9.454 33.832 -2.032 1.00 0.00 C ATOM 856 CE LYS A 59 10.926 33.470 -1.905 1.00 0.00 C ATOM 857 NZ LYS A 59 11.417 32.705 -3.085 1.00 0.00 N ATOM 0 H LYS A 59 6.999 31.754 1.745 1.00 0.00 H new ATOM 0 HA LYS A 59 6.880 34.510 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.688 32.535 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.828 32.337 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.203 35.072 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.650 34.498 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.906 32.989 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.342 34.665 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.515 34.380 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.077 32.879 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.424 32.479 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.873 31.823 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.297 33.278 -3.945 1.00 0.00 H new TER 871 LYS A 59