USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 83:sc= -0.0559! USER MOD Single : A 17 ASN : amide:sc=-0.00887 X(o=-0.0089,f=-0.18) USER MOD Single : A 18 HIS : no HD1:sc= -47! C(o=-47!,f=-46!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 172:sc= -0.55 (180deg=-0.653) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.235 USER MOD Single : A 57 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.831 (180deg=-1.36) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -18.745 11.605 6.064 1.00 0.00 N ATOM 2 CA ALA A 2 -18.587 13.073 5.895 1.00 0.00 C ATOM 3 C ALA A 2 -18.149 13.417 4.477 1.00 0.00 C ATOM 4 O ALA A 2 -17.720 12.544 3.721 1.00 0.00 O ATOM 5 CB ALA A 2 -17.585 13.615 6.903 1.00 0.00 C ATOM 0 HA ALA A 2 -19.555 13.541 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.479 14.691 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.938 13.409 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.619 13.133 6.751 1.00 0.00 H new ATOM 10 N SER A 3 -18.258 14.692 4.120 1.00 0.00 N ATOM 11 CA SER A 3 -17.873 15.150 2.791 1.00 0.00 C ATOM 12 C SER A 3 -16.475 15.761 2.808 1.00 0.00 C ATOM 13 O SER A 3 -16.162 16.642 2.008 1.00 0.00 O ATOM 14 CB SER A 3 -18.883 16.173 2.268 1.00 0.00 C ATOM 15 OG SER A 3 -20.084 15.542 1.861 1.00 0.00 O ATOM 0 H SER A 3 -18.610 15.427 4.733 1.00 0.00 H new ATOM 0 HA SER A 3 -17.864 14.286 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.099 16.906 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.452 16.718 1.428 1.00 0.00 H new ATOM 0 HG SER A 3 -20.713 16.218 1.533 1.00 0.00 H new ATOM 21 N THR A 4 -15.638 15.289 3.726 1.00 0.00 N ATOM 22 CA THR A 4 -14.273 15.788 3.848 1.00 0.00 C ATOM 23 C THR A 4 -13.263 14.712 3.465 1.00 0.00 C ATOM 24 O THR A 4 -12.200 15.011 2.920 1.00 0.00 O ATOM 25 CB THR A 4 -14.010 16.270 5.275 1.00 0.00 C ATOM 26 OG1 THR A 4 -14.643 15.421 6.216 1.00 0.00 O ATOM 27 CG2 THR A 4 -14.495 17.681 5.530 1.00 0.00 C ATOM 0 H THR A 4 -15.881 14.561 4.397 1.00 0.00 H new ATOM 0 HA THR A 4 -14.157 16.627 3.162 1.00 0.00 H new ATOM 0 HB THR A 4 -12.926 16.250 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.462 15.745 7.123 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.277 17.960 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.987 18.368 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.570 17.732 5.360 1.00 0.00 H new ATOM 35 N SER A 5 -13.601 13.460 3.756 1.00 0.00 N ATOM 36 CA SER A 5 -12.722 12.338 3.443 1.00 0.00 C ATOM 37 C SER A 5 -13.183 11.625 2.175 1.00 0.00 C ATOM 38 O SER A 5 -14.115 12.069 1.505 1.00 0.00 O ATOM 39 CB SER A 5 -12.684 11.351 4.611 1.00 0.00 C ATOM 40 OG SER A 5 -12.455 12.021 5.839 1.00 0.00 O ATOM 0 H SER A 5 -14.477 13.196 4.208 1.00 0.00 H new ATOM 0 HA SER A 5 -11.719 12.730 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.627 10.806 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.898 10.614 4.443 1.00 0.00 H new ATOM 0 HG SER A 5 -12.437 11.368 6.570 1.00 0.00 H new ATOM 46 N ARG A 6 -12.523 10.516 1.852 1.00 0.00 N ATOM 47 CA ARG A 6 -12.867 9.742 0.665 1.00 0.00 C ATOM 48 C ARG A 6 -13.610 8.463 1.047 1.00 0.00 C ATOM 49 O ARG A 6 -14.838 8.416 1.008 1.00 0.00 O ATOM 50 CB ARG A 6 -11.606 9.407 -0.135 1.00 0.00 C ATOM 51 CG ARG A 6 -10.970 10.616 -0.799 1.00 0.00 C ATOM 52 CD ARG A 6 -9.487 10.398 -1.058 1.00 0.00 C ATOM 53 NE ARG A 6 -9.213 10.102 -2.461 1.00 0.00 N ATOM 54 CZ ARG A 6 -9.161 11.027 -3.418 1.00 0.00 C ATOM 55 NH1 ARG A 6 -9.363 12.307 -3.126 1.00 0.00 N ATOM 56 NH2 ARG A 6 -8.905 10.672 -4.670 1.00 0.00 N ATOM 0 H ARG A 6 -11.748 10.134 2.395 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.527 10.346 0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.877 8.942 0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.855 8.672 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.478 10.823 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.104 11.492 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.933 11.288 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.128 9.577 -0.438 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.052 9.130 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.559 12.586 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.322 13.011 -3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.748 9.691 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.865 11.380 -5.403 1.00 0.00 H new ATOM 70 N LEU A 7 -12.860 7.430 1.422 1.00 0.00 N ATOM 71 CA LEU A 7 -13.458 6.159 1.817 1.00 0.00 C ATOM 72 C LEU A 7 -12.469 5.317 2.627 1.00 0.00 C ATOM 73 O LEU A 7 -12.345 5.501 3.837 1.00 0.00 O ATOM 74 CB LEU A 7 -13.946 5.389 0.582 1.00 0.00 C ATOM 75 CG LEU A 7 -15.422 5.595 0.231 1.00 0.00 C ATOM 76 CD1 LEU A 7 -15.572 6.604 -0.898 1.00 0.00 C ATOM 77 CD2 LEU A 7 -16.069 4.269 -0.144 1.00 0.00 C ATOM 0 H LEU A 7 -11.841 7.448 1.460 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.318 6.369 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.340 5.685 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.772 4.325 0.744 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.932 5.991 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.629 6.735 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.147 7.560 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.048 6.241 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.118 4.433 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.555 3.845 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.998 3.579 0.697 1.00 0.00 H new ATOM 89 N ASP A 8 -11.765 4.396 1.957 1.00 0.00 N ATOM 90 CA ASP A 8 -10.786 3.528 2.618 1.00 0.00 C ATOM 91 C ASP A 8 -10.472 2.313 1.753 1.00 0.00 C ATOM 92 O ASP A 8 -11.341 1.799 1.048 1.00 0.00 O ATOM 93 CB ASP A 8 -11.297 3.054 3.983 1.00 0.00 C ATOM 94 CG ASP A 8 -12.748 2.616 3.938 1.00 0.00 C ATOM 95 OD1 ASP A 8 -13.008 1.466 3.523 1.00 0.00 O ATOM 96 OD2 ASP A 8 -13.624 3.421 4.319 1.00 0.00 O ATOM 0 H ASP A 8 -11.857 4.233 0.954 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.879 4.115 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.681 2.225 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.186 3.859 4.709 1.00 0.00 H new ATOM 101 N ALA A 9 -9.229 1.850 1.821 1.00 0.00 N ATOM 102 CA ALA A 9 -8.797 0.686 1.055 1.00 0.00 C ATOM 103 C ALA A 9 -9.032 0.880 -0.440 1.00 0.00 C ATOM 104 O ALA A 9 -9.778 1.767 -0.853 1.00 0.00 O ATOM 105 CB ALA A 9 -9.517 -0.561 1.546 1.00 0.00 C ATOM 0 H ALA A 9 -8.500 2.265 2.401 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.725 0.564 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.187 -1.424 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.288 -0.722 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.592 -0.432 1.424 1.00 0.00 H new ATOM 111 N LEU A 10 -8.381 0.037 -1.242 1.00 0.00 N ATOM 112 CA LEU A 10 -8.495 0.086 -2.697 1.00 0.00 C ATOM 113 C LEU A 10 -7.371 -0.719 -3.347 1.00 0.00 C ATOM 114 O LEU A 10 -7.625 -1.590 -4.180 1.00 0.00 O ATOM 115 CB LEU A 10 -8.465 1.534 -3.211 1.00 0.00 C ATOM 116 CG LEU A 10 -8.254 1.687 -4.722 1.00 0.00 C ATOM 117 CD1 LEU A 10 -9.217 2.715 -5.297 1.00 0.00 C ATOM 118 CD2 LEU A 10 -6.814 2.075 -5.023 1.00 0.00 C ATOM 0 H LEU A 10 -7.761 -0.697 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.455 -0.354 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.404 2.018 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.669 2.070 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.457 0.727 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.051 2.809 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.243 2.394 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.048 3.680 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.683 2.179 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.583 3.022 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.143 1.302 -4.649 1.00 0.00 H new ATOM 130 N PRO A 11 -6.105 -0.440 -2.978 1.00 0.00 N ATOM 131 CA PRO A 11 -4.951 -1.150 -3.538 1.00 0.00 C ATOM 132 C PRO A 11 -4.893 -2.607 -3.090 1.00 0.00 C ATOM 133 O PRO A 11 -3.984 -3.009 -2.365 1.00 0.00 O ATOM 134 CB PRO A 11 -3.750 -0.372 -2.994 1.00 0.00 C ATOM 135 CG PRO A 11 -4.247 0.276 -1.750 1.00 0.00 C ATOM 136 CD PRO A 11 -5.697 0.584 -1.995 1.00 0.00 C ATOM 0 HA PRO A 11 -4.988 -1.189 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.911 -1.035 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.400 0.369 -3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.128 -0.385 -0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.686 1.185 -1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.282 0.516 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.833 1.592 -2.386 1.00 0.00 H new ATOM 144 N ARG A 12 -5.869 -3.394 -3.533 1.00 0.00 N ATOM 145 CA ARG A 12 -5.931 -4.811 -3.186 1.00 0.00 C ATOM 146 C ARG A 12 -6.099 -5.005 -1.682 1.00 0.00 C ATOM 147 O ARG A 12 -5.227 -4.632 -0.897 1.00 0.00 O ATOM 148 CB ARG A 12 -4.666 -5.531 -3.665 1.00 0.00 C ATOM 149 CG ARG A 12 -4.510 -5.548 -5.178 1.00 0.00 C ATOM 150 CD ARG A 12 -4.248 -4.157 -5.732 1.00 0.00 C ATOM 151 NE ARG A 12 -3.723 -4.198 -7.095 1.00 0.00 N ATOM 152 CZ ARG A 12 -4.477 -4.405 -8.173 1.00 0.00 C ATOM 153 NH1 ARG A 12 -5.785 -4.591 -8.051 1.00 0.00 N ATOM 154 NH2 ARG A 12 -3.920 -4.427 -9.377 1.00 0.00 N ATOM 0 H ARG A 12 -6.629 -3.074 -4.134 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.800 -5.239 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.794 -5.048 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.681 -6.557 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.688 -6.209 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.413 -5.957 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.173 -3.581 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.540 -3.638 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.721 -4.060 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.218 -4.576 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.357 -4.749 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.915 -4.285 -9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.497 -4.586 -10.203 1.00 0.00 H new ATOM 168 N VAL A 13 -7.224 -5.597 -1.288 1.00 0.00 N ATOM 169 CA VAL A 13 -7.501 -5.848 0.122 1.00 0.00 C ATOM 170 C VAL A 13 -6.835 -7.139 0.585 1.00 0.00 C ATOM 171 O VAL A 13 -7.399 -8.226 0.452 1.00 0.00 O ATOM 172 CB VAL A 13 -9.015 -5.933 0.396 1.00 0.00 C ATOM 173 CG1 VAL A 13 -9.648 -4.551 0.334 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.686 -6.879 -0.589 1.00 0.00 C ATOM 0 H VAL A 13 -7.957 -5.911 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.091 -5.007 0.681 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.161 -6.330 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.717 -4.631 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.189 -3.907 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.492 -4.123 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.755 -6.925 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.531 -6.516 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.253 -7.875 -0.490 1.00 0.00 H new ATOM 184 N THR A 14 -5.617 -7.008 1.104 1.00 0.00 N ATOM 185 CA THR A 14 -4.832 -8.149 1.570 1.00 0.00 C ATOM 186 C THR A 14 -4.331 -8.957 0.381 1.00 0.00 C ATOM 187 O THR A 14 -4.441 -8.518 -0.764 1.00 0.00 O ATOM 188 CB THR A 14 -5.631 -9.048 2.522 1.00 0.00 C ATOM 189 OG1 THR A 14 -6.903 -8.495 2.811 1.00 0.00 O ATOM 190 CG2 THR A 14 -4.927 -9.279 3.840 1.00 0.00 C ATOM 0 H THR A 14 -5.146 -6.110 1.214 1.00 0.00 H new ATOM 0 HA THR A 14 -3.982 -7.757 2.129 1.00 0.00 H new ATOM 0 HB THR A 14 -5.733 -9.998 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.529 -8.722 2.092 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.540 -9.922 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.965 -9.758 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.768 -8.324 4.340 1.00 0.00 H new ATOM 198 N CYS A 15 -3.741 -10.113 0.655 1.00 0.00 N ATOM 199 CA CYS A 15 -3.186 -10.933 -0.413 1.00 0.00 C ATOM 200 C CYS A 15 -4.195 -11.888 -1.045 1.00 0.00 C ATOM 201 O CYS A 15 -4.894 -12.624 -0.348 1.00 0.00 O ATOM 202 CB CYS A 15 -1.978 -11.712 0.079 1.00 0.00 C ATOM 203 SG CYS A 15 -0.583 -11.632 -1.085 1.00 0.00 S ATOM 0 H CYS A 15 -3.635 -10.500 1.593 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.886 -10.234 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.664 -11.319 1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.259 -12.754 0.235 1.00 0.00 H new ATOM 208 N PRO A 16 -4.243 -11.913 -2.396 1.00 0.00 N ATOM 209 CA PRO A 16 -5.127 -12.813 -3.139 1.00 0.00 C ATOM 210 C PRO A 16 -4.661 -14.253 -2.989 1.00 0.00 C ATOM 211 O PRO A 16 -5.436 -15.196 -3.152 1.00 0.00 O ATOM 212 CB PRO A 16 -4.985 -12.346 -4.589 1.00 0.00 C ATOM 213 CG PRO A 16 -3.637 -11.717 -4.650 1.00 0.00 C ATOM 214 CD PRO A 16 -3.406 -11.099 -3.298 1.00 0.00 C ATOM 0 HA PRO A 16 -6.158 -12.785 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.064 -13.182 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.767 -11.635 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.871 -12.458 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.593 -10.963 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.355 -11.139 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.701 -10.050 -3.281 1.00 0.00 H new ATOM 222 N ASN A 17 -3.385 -14.406 -2.627 1.00 0.00 N ATOM 223 CA ASN A 17 -2.798 -15.713 -2.392 1.00 0.00 C ATOM 224 C ASN A 17 -2.936 -16.040 -0.917 1.00 0.00 C ATOM 225 O ASN A 17 -3.120 -17.196 -0.533 1.00 0.00 O ATOM 226 CB ASN A 17 -1.328 -15.735 -2.814 1.00 0.00 C ATOM 227 CG ASN A 17 -1.004 -16.911 -3.716 1.00 0.00 C ATOM 228 OD1 ASN A 17 -1.441 -18.035 -3.471 1.00 0.00 O ATOM 229 ND2 ASN A 17 -0.231 -16.657 -4.765 1.00 0.00 N ATOM 0 H ASN A 17 -2.739 -13.628 -2.491 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.318 -16.462 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.087 -14.806 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.698 -15.777 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.023 -17.409 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.109 -15.710 -4.930 1.00 0.00 H new ATOM 236 N HIS A 18 -2.910 -15.004 -0.096 1.00 0.00 N ATOM 237 CA HIS A 18 -3.089 -15.174 1.329 1.00 0.00 C ATOM 238 C HIS A 18 -4.049 -14.146 1.880 1.00 0.00 C ATOM 239 O HIS A 18 -3.638 -13.104 2.392 1.00 0.00 O ATOM 240 CB HIS A 18 -1.797 -15.103 2.126 1.00 0.00 C ATOM 241 CG HIS A 18 -0.665 -14.498 1.431 1.00 0.00 C ATOM 242 ND1 HIS A 18 -0.414 -14.704 0.122 1.00 0.00 N ATOM 243 CD2 HIS A 18 0.223 -13.608 1.906 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.599 -13.948 -0.187 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.029 -13.263 0.872 1.00 0.00 N ATOM 0 H HIS A 18 -2.767 -14.039 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.492 -16.180 1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.984 -14.539 3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.519 -16.113 2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.283 -13.238 2.919 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.034 -13.884 -1.173 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.811 -12.608 0.899 1.00 0.00 H new ATOM 253 N PRO A 19 -5.351 -14.455 1.841 1.00 0.00 N ATOM 254 CA PRO A 19 -6.384 -13.586 2.401 1.00 0.00 C ATOM 255 C PRO A 19 -6.330 -13.617 3.924 1.00 0.00 C ATOM 256 O PRO A 19 -7.346 -13.458 4.602 1.00 0.00 O ATOM 257 CB PRO A 19 -7.678 -14.232 1.911 1.00 0.00 C ATOM 258 CG PRO A 19 -7.331 -15.675 1.795 1.00 0.00 C ATOM 259 CD PRO A 19 -5.917 -15.703 1.294 1.00 0.00 C ATOM 0 HA PRO A 19 -6.278 -12.542 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.496 -14.072 2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.994 -13.818 0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.417 -16.179 2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.003 -16.187 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.379 -16.581 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.874 -15.723 0.205 1.00 0.00 H new ATOM 267 N ASP A 20 -5.125 -13.834 4.448 1.00 0.00 N ATOM 268 CA ASP A 20 -4.896 -13.901 5.880 1.00 0.00 C ATOM 269 C ASP A 20 -3.467 -13.469 6.229 1.00 0.00 C ATOM 270 O ASP A 20 -3.095 -13.403 7.397 1.00 0.00 O ATOM 271 CB ASP A 20 -5.155 -15.323 6.390 1.00 0.00 C ATOM 272 CG ASP A 20 -6.492 -15.449 7.091 1.00 0.00 C ATOM 273 OD1 ASP A 20 -6.964 -14.438 7.654 1.00 0.00 O ATOM 274 OD2 ASP A 20 -7.068 -16.557 7.076 1.00 0.00 O ATOM 0 H ASP A 20 -4.284 -13.968 3.887 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.589 -13.215 6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.120 -16.019 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.359 -15.611 7.077 1.00 0.00 H new ATOM 279 N ALA A 21 -2.694 -13.061 5.234 1.00 0.00 N ATOM 280 CA ALA A 21 -1.362 -12.548 5.483 1.00 0.00 C ATOM 281 C ALA A 21 -1.297 -11.192 4.833 1.00 0.00 C ATOM 282 O ALA A 21 -1.069 -11.055 3.628 1.00 0.00 O ATOM 283 CB ALA A 21 -0.269 -13.485 4.999 1.00 0.00 C ATOM 0 H ALA A 21 -2.968 -13.076 4.251 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.180 -12.467 6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.706 -13.048 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.357 -14.443 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.370 -13.638 3.925 1.00 0.00 H new ATOM 289 N ILE A 22 -1.617 -10.217 5.656 1.00 0.00 N ATOM 290 CA ILE A 22 -1.711 -8.839 5.232 1.00 0.00 C ATOM 291 C ILE A 22 -0.375 -8.266 4.752 1.00 0.00 C ATOM 292 O ILE A 22 0.498 -7.964 5.569 1.00 0.00 O ATOM 293 CB ILE A 22 -2.248 -7.914 6.354 1.00 0.00 C ATOM 294 CG1 ILE A 22 -3.120 -8.682 7.359 1.00 0.00 C ATOM 295 CG2 ILE A 22 -3.030 -6.760 5.746 1.00 0.00 C ATOM 296 CD1 ILE A 22 -4.250 -9.464 6.725 1.00 0.00 C ATOM 0 H ILE A 22 -1.821 -10.360 6.645 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.412 -8.859 4.398 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.391 -7.520 6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.488 -9.369 7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.539 -7.975 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.404 -6.115 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.378 -6.185 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.870 -7.152 5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.818 -9.977 7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.907 -8.782 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.840 -10.197 6.030 1.00 0.00 H new ATOM 308 N LEU A 23 -0.235 -8.080 3.426 1.00 0.00 N ATOM 309 CA LEU A 23 0.977 -7.486 2.844 1.00 0.00 C ATOM 310 C LEU A 23 1.529 -6.431 3.794 1.00 0.00 C ATOM 311 O LEU A 23 0.799 -5.852 4.572 1.00 0.00 O ATOM 312 CB LEU A 23 0.631 -6.817 1.508 1.00 0.00 C ATOM 313 CG LEU A 23 0.807 -7.671 0.249 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.483 -8.387 -0.103 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.270 -6.796 -0.901 1.00 0.00 C ATOM 0 H LEU A 23 -0.947 -8.333 2.741 1.00 0.00 H new ATOM 0 HA LEU A 23 1.719 -8.268 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.406 -6.484 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.248 -5.925 1.404 1.00 0.00 H new ATOM 0 HG LEU A 23 1.564 -8.431 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.333 -8.987 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.776 -9.036 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.269 -7.653 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.394 -7.406 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.527 -6.021 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.222 -6.331 -0.644 1.00 0.00 H new ATOM 327 N VAL A 24 2.774 -6.069 3.701 1.00 0.00 N ATOM 328 CA VAL A 24 3.250 -5.015 4.557 1.00 0.00 C ATOM 329 C VAL A 24 3.110 -3.747 3.808 1.00 0.00 C ATOM 330 O VAL A 24 2.687 -3.780 2.664 1.00 0.00 O ATOM 331 CB VAL A 24 4.692 -5.237 4.947 1.00 0.00 C ATOM 332 CG1 VAL A 24 5.092 -4.355 6.124 1.00 0.00 C ATOM 333 CG2 VAL A 24 4.863 -6.706 5.280 1.00 0.00 C ATOM 0 H VAL A 24 3.462 -6.470 3.064 1.00 0.00 H new ATOM 0 HA VAL A 24 2.670 -4.990 5.480 1.00 0.00 H new ATOM 0 HB VAL A 24 5.346 -4.962 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.136 -4.540 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.965 -3.307 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.462 -4.587 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.897 -6.896 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.204 -6.971 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.611 -7.309 4.407 1.00 0.00 H new ATOM 343 N GLU A 25 3.428 -2.636 4.415 1.00 0.00 N ATOM 344 CA GLU A 25 3.283 -1.400 3.715 1.00 0.00 C ATOM 345 C GLU A 25 4.407 -1.185 2.751 1.00 0.00 C ATOM 346 O GLU A 25 4.179 -1.133 1.574 1.00 0.00 O ATOM 347 CB GLU A 25 3.151 -0.220 4.685 1.00 0.00 C ATOM 348 CG GLU A 25 1.832 0.531 4.566 1.00 0.00 C ATOM 349 CD GLU A 25 1.880 1.632 3.523 1.00 0.00 C ATOM 350 OE1 GLU A 25 2.859 2.407 3.522 1.00 0.00 O ATOM 351 OE2 GLU A 25 0.938 1.717 2.707 1.00 0.00 O ATOM 0 H GLU A 25 3.780 -2.565 5.370 1.00 0.00 H new ATOM 0 HA GLU A 25 2.360 -1.457 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.258 -0.587 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.971 0.476 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.039 -0.172 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.575 0.963 5.533 1.00 0.00 H new ATOM 358 N ASP A 26 5.607 -1.071 3.239 1.00 0.00 N ATOM 359 CA ASP A 26 6.745 -0.853 2.387 1.00 0.00 C ATOM 360 C ASP A 26 7.640 -2.077 2.325 1.00 0.00 C ATOM 361 O ASP A 26 8.190 -2.499 3.341 1.00 0.00 O ATOM 362 CB ASP A 26 7.537 0.349 2.899 1.00 0.00 C ATOM 363 CG ASP A 26 6.919 1.663 2.467 1.00 0.00 C ATOM 364 OD1 ASP A 26 5.837 2.011 2.985 1.00 0.00 O ATOM 365 OD2 ASP A 26 7.517 2.347 1.609 1.00 0.00 O ATOM 0 H ASP A 26 5.827 -1.126 4.233 1.00 0.00 H new ATOM 0 HA ASP A 26 6.384 -0.658 1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.587 0.313 3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.561 0.292 2.530 1.00 0.00 H new ATOM 370 N TYR A 27 7.782 -2.661 1.127 1.00 0.00 N ATOM 371 CA TYR A 27 8.610 -3.849 0.935 1.00 0.00 C ATOM 372 C TYR A 27 10.096 -3.511 0.910 1.00 0.00 C ATOM 373 O TYR A 27 10.613 -2.950 -0.056 1.00 0.00 O ATOM 374 CB TYR A 27 8.204 -4.600 -0.351 1.00 0.00 C ATOM 375 CG TYR A 27 8.991 -4.257 -1.603 1.00 0.00 C ATOM 376 CD1 TYR A 27 8.764 -3.077 -2.293 1.00 0.00 C ATOM 377 CD2 TYR A 27 9.953 -5.128 -2.097 1.00 0.00 C ATOM 378 CE1 TYR A 27 9.472 -2.771 -3.442 1.00 0.00 C ATOM 379 CE2 TYR A 27 10.666 -4.831 -3.244 1.00 0.00 C ATOM 380 CZ TYR A 27 10.422 -3.651 -3.912 1.00 0.00 C ATOM 381 OH TYR A 27 11.127 -3.351 -5.057 1.00 0.00 O ATOM 0 H TYR A 27 7.330 -2.325 0.277 1.00 0.00 H new ATOM 0 HA TYR A 27 8.437 -4.502 1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.300 -5.670 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.149 -4.403 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.021 -2.384 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.148 -6.054 -1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.281 -1.847 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.410 -5.520 -3.614 1.00 0.00 H new ATOM 0 HH TYR A 27 11.758 -4.075 -5.251 1.00 0.00 H new ATOM 391 N ARG A 28 10.776 -3.895 1.984 1.00 0.00 N ATOM 392 CA ARG A 28 12.211 -3.683 2.115 1.00 0.00 C ATOM 393 C ARG A 28 12.641 -2.319 1.582 1.00 0.00 C ATOM 394 O ARG A 28 13.740 -2.182 1.047 1.00 0.00 O ATOM 395 CB ARG A 28 12.947 -4.794 1.369 1.00 0.00 C ATOM 396 CG ARG A 28 13.018 -6.096 2.152 1.00 0.00 C ATOM 397 CD ARG A 28 12.158 -7.196 1.537 1.00 0.00 C ATOM 398 NE ARG A 28 12.109 -7.126 0.078 1.00 0.00 N ATOM 399 CZ ARG A 28 13.149 -7.368 -0.717 1.00 0.00 C ATOM 400 NH1 ARG A 28 14.324 -7.708 -0.202 1.00 0.00 N ATOM 401 NH2 ARG A 28 13.012 -7.272 -2.033 1.00 0.00 N ATOM 0 H ARG A 28 10.349 -4.360 2.785 1.00 0.00 H new ATOM 0 HA ARG A 28 12.464 -3.707 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.448 -4.977 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.959 -4.460 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.054 -6.432 2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.695 -5.917 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.550 -8.168 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.145 -7.124 1.934 1.00 0.00 H new ATOM 0 HE ARG A 28 11.222 -6.876 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.435 -7.785 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.116 -7.892 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.111 -7.013 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.808 -7.457 -2.643 1.00 0.00 H new ATOM 415 N ALA A 29 11.763 -1.323 1.743 1.00 0.00 N ATOM 416 CA ALA A 29 12.011 0.056 1.295 1.00 0.00 C ATOM 417 C ALA A 29 10.930 0.521 0.327 1.00 0.00 C ATOM 418 O ALA A 29 10.656 1.716 0.219 1.00 0.00 O ATOM 419 CB ALA A 29 13.382 0.213 0.644 1.00 0.00 C ATOM 0 H ALA A 29 10.855 -1.449 2.190 1.00 0.00 H new ATOM 0 HA ALA A 29 11.987 0.680 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.519 1.248 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.158 -0.054 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.449 -0.442 -0.225 1.00 0.00 H new ATOM 425 N GLY A 30 10.322 -0.424 -0.383 1.00 0.00 N ATOM 426 CA GLY A 30 9.287 -0.075 -1.336 1.00 0.00 C ATOM 427 C GLY A 30 7.898 -0.108 -0.734 1.00 0.00 C ATOM 428 O GLY A 30 7.740 0.166 0.437 1.00 0.00 O ATOM 0 H GLY A 30 10.527 -1.421 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.484 0.922 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.329 -0.764 -2.179 1.00 0.00 H new ATOM 432 N ASP A 31 6.899 -0.412 -1.554 1.00 0.00 N ATOM 433 CA ASP A 31 5.491 -0.469 -1.119 1.00 0.00 C ATOM 434 C ASP A 31 5.148 -1.821 -0.538 1.00 0.00 C ATOM 435 O ASP A 31 6.028 -2.578 -0.162 1.00 0.00 O ATOM 436 CB ASP A 31 4.573 -0.133 -2.301 1.00 0.00 C ATOM 437 CG ASP A 31 5.064 -0.708 -3.618 1.00 0.00 C ATOM 438 OD1 ASP A 31 6.197 -0.373 -4.024 1.00 0.00 O ATOM 439 OD2 ASP A 31 4.314 -1.486 -4.245 1.00 0.00 O ATOM 0 H ASP A 31 7.033 -0.628 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 31 5.341 0.269 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.572 -0.513 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.490 0.950 -2.393 1.00 0.00 H new ATOM 444 N MET A 32 3.864 -2.096 -0.381 1.00 0.00 N ATOM 445 CA MET A 32 3.436 -3.328 0.245 1.00 0.00 C ATOM 446 C MET A 32 4.230 -4.528 -0.231 1.00 0.00 C ATOM 447 O MET A 32 4.809 -4.516 -1.314 1.00 0.00 O ATOM 448 CB MET A 32 1.944 -3.506 0.054 1.00 0.00 C ATOM 449 CG MET A 32 1.134 -2.467 0.806 1.00 0.00 C ATOM 450 SD MET A 32 -0.327 -1.931 -0.107 1.00 0.00 S ATOM 451 CE MET A 32 -1.201 -3.483 -0.293 1.00 0.00 C ATOM 0 H MET A 32 3.105 -1.483 -0.678 1.00 0.00 H new ATOM 0 HA MET A 32 3.638 -3.257 1.314 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.707 -3.447 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.654 -4.501 0.391 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.826 -2.878 1.768 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.764 -1.603 1.016 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.190 -3.296 -0.711 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.642 -4.138 -0.962 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.304 -3.962 0.681 1.00 0.00 H new ATOM 461 N ILE A 33 4.255 -5.549 0.617 1.00 0.00 N ATOM 462 CA ILE A 33 4.986 -6.799 0.402 1.00 0.00 C ATOM 463 C ILE A 33 4.181 -7.914 1.038 1.00 0.00 C ATOM 464 O ILE A 33 3.875 -7.863 2.226 1.00 0.00 O ATOM 465 CB ILE A 33 6.356 -6.676 1.098 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.334 -7.771 0.664 1.00 0.00 C ATOM 467 CG2 ILE A 33 6.167 -6.671 2.599 1.00 0.00 C ATOM 468 CD1 ILE A 33 6.835 -9.174 0.916 1.00 0.00 C ATOM 0 H ILE A 33 3.751 -5.532 1.504 1.00 0.00 H new ATOM 0 HA ILE A 33 5.134 -7.005 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 33 6.804 -5.731 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.544 -7.656 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.277 -7.631 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.137 -6.584 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.540 -5.826 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.687 -7.599 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.584 -9.892 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.653 -9.309 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.908 -9.335 0.366 1.00 0.00 H new ATOM 480 N CYS A 34 3.841 -8.918 0.270 1.00 0.00 N ATOM 481 CA CYS A 34 3.081 -10.028 0.788 1.00 0.00 C ATOM 482 C CYS A 34 4.044 -11.048 1.357 1.00 0.00 C ATOM 483 O CYS A 34 4.617 -11.831 0.615 1.00 0.00 O ATOM 484 CB CYS A 34 2.285 -10.576 -0.360 1.00 0.00 C ATOM 485 SG CYS A 34 0.726 -11.340 0.087 1.00 0.00 S ATOM 0 H CYS A 34 4.079 -8.990 -0.719 1.00 0.00 H new ATOM 0 HA CYS A 34 2.402 -9.740 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.086 -9.767 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.894 -11.312 -0.885 1.00 0.00 H new ATOM 490 N PRO A 35 4.234 -11.050 2.688 1.00 0.00 N ATOM 491 CA PRO A 35 5.170 -11.954 3.356 1.00 0.00 C ATOM 492 C PRO A 35 5.052 -13.391 2.909 1.00 0.00 C ATOM 493 O PRO A 35 5.963 -14.188 3.131 1.00 0.00 O ATOM 494 CB PRO A 35 4.805 -11.833 4.846 1.00 0.00 C ATOM 495 CG PRO A 35 3.538 -11.045 4.892 1.00 0.00 C ATOM 496 CD PRO A 35 3.542 -10.192 3.658 1.00 0.00 C ATOM 0 HA PRO A 35 6.199 -11.679 3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.670 -12.816 5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.597 -11.333 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.669 -11.703 4.910 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.492 -10.431 5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.532 -9.942 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.068 -9.250 3.816 1.00 0.00 H new ATOM 504 N GLU A 36 3.940 -13.733 2.305 1.00 0.00 N ATOM 505 CA GLU A 36 3.730 -15.096 1.876 1.00 0.00 C ATOM 506 C GLU A 36 4.153 -15.288 0.455 1.00 0.00 C ATOM 507 O GLU A 36 5.081 -16.049 0.204 1.00 0.00 O ATOM 508 CB GLU A 36 2.290 -15.522 2.074 1.00 0.00 C ATOM 509 CG GLU A 36 1.919 -15.790 3.527 1.00 0.00 C ATOM 510 CD GLU A 36 2.903 -16.706 4.228 1.00 0.00 C ATOM 511 OE1 GLU A 36 2.847 -17.930 3.991 1.00 0.00 O ATOM 512 OE2 GLU A 36 3.727 -16.197 5.017 1.00 0.00 O ATOM 0 H GLU A 36 3.172 -13.094 2.100 1.00 0.00 H new ATOM 0 HA GLU A 36 4.354 -15.734 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.634 -14.746 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.105 -16.423 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.866 -14.843 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.925 -16.235 3.567 1.00 0.00 H new ATOM 519 N CYS A 37 3.583 -14.560 -0.499 1.00 0.00 N ATOM 520 CA CYS A 37 4.076 -14.727 -1.832 1.00 0.00 C ATOM 521 C CYS A 37 5.173 -13.740 -2.000 1.00 0.00 C ATOM 522 O CYS A 37 6.141 -14.023 -2.676 1.00 0.00 O ATOM 523 CB CYS A 37 3.033 -14.645 -2.959 1.00 0.00 C ATOM 524 SG CYS A 37 1.845 -13.295 -2.863 1.00 0.00 S ATOM 0 H CYS A 37 2.824 -13.890 -0.374 1.00 0.00 H new ATOM 0 HA CYS A 37 4.426 -15.754 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.563 -14.565 -3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.480 -15.584 -2.980 1.00 0.00 H new ATOM 529 N GLY A 38 5.060 -12.577 -1.353 1.00 0.00 N ATOM 530 CA GLY A 38 6.092 -11.587 -1.413 1.00 0.00 C ATOM 531 C GLY A 38 6.004 -10.699 -2.626 1.00 0.00 C ATOM 532 O GLY A 38 7.003 -10.396 -3.275 1.00 0.00 O ATOM 0 H GLY A 38 4.254 -12.315 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.044 -10.969 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.062 -12.084 -1.406 1.00 0.00 H new ATOM 536 N LEU A 39 4.784 -10.259 -2.897 1.00 0.00 N ATOM 537 CA LEU A 39 4.509 -9.366 -4.002 1.00 0.00 C ATOM 538 C LEU A 39 4.737 -7.927 -3.538 1.00 0.00 C ATOM 539 O LEU A 39 5.200 -7.716 -2.419 1.00 0.00 O ATOM 540 CB LEU A 39 3.063 -9.552 -4.457 1.00 0.00 C ATOM 541 CG LEU A 39 2.034 -8.981 -3.488 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.439 -7.713 -4.053 1.00 0.00 C ATOM 543 CD2 LEU A 39 0.946 -9.986 -3.169 1.00 0.00 C ATOM 0 H LEU A 39 3.959 -10.514 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 39 5.171 -9.586 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.934 -9.078 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.869 -10.616 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 39 2.545 -8.749 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.705 -7.312 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.229 -6.979 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.953 -7.931 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.232 -9.542 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.432 -10.269 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.390 -10.871 -2.714 1.00 0.00 H new ATOM 555 N VAL A 40 4.416 -6.958 -4.396 1.00 0.00 N ATOM 556 CA VAL A 40 4.602 -5.543 -4.050 1.00 0.00 C ATOM 557 C VAL A 40 3.480 -4.655 -4.589 1.00 0.00 C ATOM 558 O VAL A 40 3.153 -4.701 -5.774 1.00 0.00 O ATOM 559 CB VAL A 40 5.956 -5.011 -4.561 1.00 0.00 C ATOM 560 CG1 VAL A 40 6.091 -3.518 -4.282 1.00 0.00 C ATOM 561 CG2 VAL A 40 7.104 -5.783 -3.927 1.00 0.00 C ATOM 0 H VAL A 40 4.030 -7.121 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 40 4.581 -5.498 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 40 5.997 -5.158 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.054 -3.164 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.289 -2.980 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.027 -3.341 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.052 -5.395 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.065 -5.669 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.018 -6.839 -4.184 1.00 0.00 H new ATOM 571 N VAL A 41 2.885 -3.856 -3.705 1.00 0.00 N ATOM 572 CA VAL A 41 1.789 -2.972 -4.095 1.00 0.00 C ATOM 573 C VAL A 41 1.836 -1.640 -3.356 1.00 0.00 C ATOM 574 O VAL A 41 1.949 -1.608 -2.133 1.00 0.00 O ATOM 575 CB VAL A 41 0.431 -3.625 -3.817 1.00 0.00 C ATOM 576 CG1 VAL A 41 -0.623 -3.108 -4.777 1.00 0.00 C ATOM 577 CG2 VAL A 41 0.541 -5.122 -3.918 1.00 0.00 C ATOM 0 H VAL A 41 3.142 -3.803 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 41 1.910 -2.792 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 41 0.127 -3.363 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.578 -3.586 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.723 -2.029 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.327 -3.337 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.431 -5.573 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.869 -5.396 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.265 -5.484 -3.188 1.00 0.00 H new ATOM 587 N GLY A 42 1.734 -0.539 -4.095 1.00 0.00 N ATOM 588 CA GLY A 42 1.756 0.771 -3.470 1.00 0.00 C ATOM 589 C GLY A 42 2.545 1.783 -4.266 1.00 0.00 C ATOM 590 O GLY A 42 3.369 1.423 -5.107 1.00 0.00 O ATOM 0 H GLY A 42 1.637 -0.530 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.733 1.128 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.185 0.686 -2.472 1.00 0.00 H new ATOM 594 N ASP A 43 2.290 3.052 -3.991 1.00 0.00 N ATOM 595 CA ASP A 43 2.971 4.142 -4.673 1.00 0.00 C ATOM 596 C ASP A 43 2.474 5.482 -4.148 1.00 0.00 C ATOM 597 O ASP A 43 3.248 6.284 -3.625 1.00 0.00 O ATOM 598 CB ASP A 43 2.741 4.060 -6.184 1.00 0.00 C ATOM 599 CG ASP A 43 3.670 4.969 -6.962 1.00 0.00 C ATOM 600 OD1 ASP A 43 4.862 4.620 -7.104 1.00 0.00 O ATOM 601 OD2 ASP A 43 3.207 6.030 -7.431 1.00 0.00 O ATOM 0 H ASP A 43 1.610 3.355 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 43 4.040 4.054 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.883 3.031 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.708 4.326 -6.406 1.00 0.00 H new ATOM 606 N ARG A 44 1.173 5.716 -4.293 1.00 0.00 N ATOM 607 CA ARG A 44 0.552 6.957 -3.839 1.00 0.00 C ATOM 608 C ARG A 44 0.972 8.141 -4.713 1.00 0.00 C ATOM 609 O ARG A 44 0.251 8.510 -5.640 1.00 0.00 O ATOM 610 CB ARG A 44 0.892 7.224 -2.366 1.00 0.00 C ATOM 611 CG ARG A 44 -0.296 7.699 -1.545 1.00 0.00 C ATOM 612 CD ARG A 44 -0.045 7.526 -0.054 1.00 0.00 C ATOM 613 NE ARG A 44 0.277 8.794 0.598 1.00 0.00 N ATOM 614 CZ ARG A 44 0.980 8.893 1.727 1.00 0.00 C ATOM 615 NH1 ARG A 44 1.432 7.803 2.334 1.00 0.00 N ATOM 616 NH2 ARG A 44 1.228 10.085 2.250 1.00 0.00 N ATOM 0 H ARG A 44 0.524 5.058 -4.724 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.528 6.843 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.289 6.311 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.682 7.973 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.494 8.748 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.186 7.140 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.928 7.092 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.774 6.823 0.097 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.056 9.655 0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.242 6.883 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.969 7.886 3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.881 10.926 1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.766 10.161 3.113 1.00 0.00 H new ATOM 630 N VAL A 45 2.137 8.727 -4.414 1.00 0.00 N ATOM 631 CA VAL A 45 2.671 9.872 -5.163 1.00 0.00 C ATOM 632 C VAL A 45 3.582 10.719 -4.272 1.00 0.00 C ATOM 633 O VAL A 45 4.439 11.452 -4.766 1.00 0.00 O ATOM 634 CB VAL A 45 1.548 10.772 -5.751 1.00 0.00 C ATOM 635 CG1 VAL A 45 1.889 12.253 -5.627 1.00 0.00 C ATOM 636 CG2 VAL A 45 1.288 10.410 -7.206 1.00 0.00 C ATOM 0 H VAL A 45 2.736 8.422 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 45 3.243 9.461 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 45 0.643 10.592 -5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.080 12.849 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.019 12.510 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.813 12.460 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.499 11.048 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.200 10.555 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.978 9.367 -7.272 1.00 0.00 H new ATOM 646 N ILE A 46 3.379 10.620 -2.957 1.00 0.00 N ATOM 647 CA ILE A 46 4.169 11.380 -1.988 1.00 0.00 C ATOM 648 C ILE A 46 5.647 11.436 -2.370 1.00 0.00 C ATOM 649 O ILE A 46 6.380 10.462 -2.210 1.00 0.00 O ATOM 650 CB ILE A 46 4.035 10.785 -0.571 1.00 0.00 C ATOM 651 CG1 ILE A 46 4.790 11.644 0.446 1.00 0.00 C ATOM 652 CG2 ILE A 46 4.542 9.352 -0.546 1.00 0.00 C ATOM 653 CD1 ILE A 46 4.502 11.270 1.883 1.00 0.00 C ATOM 0 H ILE A 46 2.671 10.018 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 46 3.771 12.395 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 46 2.980 10.780 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.861 11.553 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.528 12.691 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.440 8.948 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.959 8.747 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.591 9.332 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.070 11.919 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.437 11.388 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.791 10.233 2.054 1.00 0.00 H new ATOM 665 N ASP A 47 6.073 12.590 -2.874 1.00 0.00 N ATOM 666 CA ASP A 47 7.461 12.787 -3.277 1.00 0.00 C ATOM 667 C ASP A 47 8.119 13.876 -2.435 1.00 0.00 C ATOM 668 O ASP A 47 9.311 13.807 -2.134 1.00 0.00 O ATOM 669 CB ASP A 47 7.536 13.156 -4.761 1.00 0.00 C ATOM 670 CG ASP A 47 8.692 12.474 -5.468 1.00 0.00 C ATOM 671 OD1 ASP A 47 9.047 11.345 -5.072 1.00 0.00 O ATOM 672 OD2 ASP A 47 9.241 13.071 -6.418 1.00 0.00 O ATOM 0 H ASP A 47 5.475 13.405 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 47 7.998 11.852 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.601 12.880 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.640 14.237 -4.859 1.00 0.00 H new ATOM 677 N VAL A 48 7.333 14.878 -2.055 1.00 0.00 N ATOM 678 CA VAL A 48 7.833 15.983 -1.244 1.00 0.00 C ATOM 679 C VAL A 48 7.078 16.073 0.079 1.00 0.00 C ATOM 680 O VAL A 48 5.963 15.566 0.206 1.00 0.00 O ATOM 681 CB VAL A 48 7.712 17.325 -1.992 1.00 0.00 C ATOM 682 CG1 VAL A 48 6.256 17.630 -2.318 1.00 0.00 C ATOM 683 CG2 VAL A 48 8.330 18.452 -1.176 1.00 0.00 C ATOM 0 H VAL A 48 6.344 14.948 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 48 8.886 15.785 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 48 8.260 17.244 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.193 18.582 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.851 16.838 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.681 17.689 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.234 19.391 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.814 18.534 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.385 18.239 -1.002 1.00 0.00 H new ATOM 693 N GLY A 49 7.692 16.722 1.063 1.00 0.00 N ATOM 694 CA GLY A 49 7.060 16.865 2.364 1.00 0.00 C ATOM 695 C GLY A 49 7.371 18.197 3.016 1.00 0.00 C ATOM 696 O GLY A 49 8.459 18.746 2.839 1.00 0.00 O ATOM 0 H GLY A 49 8.614 17.151 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.981 16.761 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.393 16.058 3.017 1.00 0.00 H new ATOM 700 N SER A 50 6.414 18.720 3.776 1.00 0.00 N ATOM 701 CA SER A 50 6.589 19.997 4.459 1.00 0.00 C ATOM 702 C SER A 50 5.375 20.327 5.321 1.00 0.00 C ATOM 703 O SER A 50 4.453 21.012 4.879 1.00 0.00 O ATOM 704 CB SER A 50 6.823 21.115 3.441 1.00 0.00 C ATOM 705 OG SER A 50 7.224 22.314 4.083 1.00 0.00 O ATOM 0 H SER A 50 5.508 18.279 3.935 1.00 0.00 H new ATOM 0 HA SER A 50 7.461 19.915 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.588 20.807 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.910 21.291 2.873 1.00 0.00 H new ATOM 0 HG SER A 50 7.369 23.012 3.411 1.00 0.00 H new ATOM 711 N GLU A 51 5.382 19.836 6.557 1.00 0.00 N ATOM 712 CA GLU A 51 4.282 20.079 7.483 1.00 0.00 C ATOM 713 C GLU A 51 4.736 20.953 8.648 1.00 0.00 C ATOM 714 O GLU A 51 4.340 20.736 9.793 1.00 0.00 O ATOM 715 CB GLU A 51 3.728 18.753 8.010 1.00 0.00 C ATOM 716 CG GLU A 51 2.227 18.771 8.246 1.00 0.00 C ATOM 717 CD GLU A 51 1.868 18.990 9.702 1.00 0.00 C ATOM 718 OE1 GLU A 51 2.639 18.540 10.577 1.00 0.00 O ATOM 719 OE2 GLU A 51 0.818 19.610 9.969 1.00 0.00 O ATOM 0 H GLU A 51 6.137 19.268 6.940 1.00 0.00 H new ATOM 0 HA GLU A 51 3.494 20.604 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.966 17.961 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.231 18.504 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.778 19.560 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.799 17.827 7.908 1.00 0.00 H new ATOM 726 N TRP A 52 5.570 21.943 8.345 1.00 0.00 N ATOM 727 CA TRP A 52 6.082 22.852 9.364 1.00 0.00 C ATOM 728 C TRP A 52 6.867 22.090 10.432 1.00 0.00 C ATOM 729 O TRP A 52 8.087 21.959 10.338 1.00 0.00 O ATOM 730 CB TRP A 52 4.932 23.634 10.004 1.00 0.00 C ATOM 731 CG TRP A 52 4.579 24.888 9.263 1.00 0.00 C ATOM 732 CD1 TRP A 52 5.414 25.656 8.504 1.00 0.00 C ATOM 733 CD2 TRP A 52 3.294 25.519 9.211 1.00 0.00 C ATOM 734 NE1 TRP A 52 4.728 26.726 7.985 1.00 0.00 N ATOM 735 CE2 TRP A 52 3.426 26.665 8.403 1.00 0.00 C ATOM 736 CE3 TRP A 52 2.046 25.228 9.768 1.00 0.00 C ATOM 737 CZ2 TRP A 52 2.355 27.518 8.140 1.00 0.00 C ATOM 738 CZ3 TRP A 52 0.986 26.075 9.506 1.00 0.00 C ATOM 739 CH2 TRP A 52 1.146 27.207 8.698 1.00 0.00 C ATOM 0 H TRP A 52 5.906 22.136 7.401 1.00 0.00 H new ATOM 0 HA TRP A 52 6.761 23.556 8.882 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.052 22.993 10.058 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.203 23.890 11.028 1.00 0.00 H new ATOM 0 HD1 TRP A 52 6.461 25.452 8.336 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.124 27.449 7.385 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.912 24.357 10.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.476 28.393 7.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.017 25.860 9.932 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.297 27.848 8.512 1.00 0.00 H new ATOM 750 N ARG A 53 6.162 21.586 11.445 1.00 0.00 N ATOM 751 CA ARG A 53 6.795 20.837 12.528 1.00 0.00 C ATOM 752 C ARG A 53 8.053 21.542 13.030 1.00 0.00 C ATOM 753 O ARG A 53 9.171 21.085 12.791 1.00 0.00 O ATOM 754 CB ARG A 53 7.142 19.421 12.059 1.00 0.00 C ATOM 755 CG ARG A 53 7.232 18.411 13.192 1.00 0.00 C ATOM 756 CD ARG A 53 8.399 18.715 14.118 1.00 0.00 C ATOM 757 NE ARG A 53 8.689 17.601 15.017 1.00 0.00 N ATOM 758 CZ ARG A 53 9.437 17.707 16.113 1.00 0.00 C ATOM 759 NH1 ARG A 53 9.972 18.875 16.449 1.00 0.00 N ATOM 760 NH2 ARG A 53 9.651 16.644 16.875 1.00 0.00 N ATOM 0 H ARG A 53 5.151 21.684 11.537 1.00 0.00 H new ATOM 0 HA ARG A 53 6.086 20.780 13.354 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.388 19.088 11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.094 19.446 11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.303 18.418 13.762 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.345 17.409 12.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.284 18.941 13.523 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.174 19.605 14.705 1.00 0.00 H new ATOM 0 HE ARG A 53 8.295 16.688 14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.811 19.696 15.866 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.544 18.951 17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.243 15.744 16.622 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.224 16.726 17.715 1.00 0.00 H new ATOM 774 N THR A 54 7.864 22.660 13.725 1.00 0.00 N ATOM 775 CA THR A 54 8.984 23.428 14.258 1.00 0.00 C ATOM 776 C THR A 54 8.791 23.717 15.743 1.00 0.00 C ATOM 777 O THR A 54 7.741 23.420 16.313 1.00 0.00 O ATOM 778 CB THR A 54 9.143 24.739 13.487 1.00 0.00 C ATOM 779 OG1 THR A 54 8.517 24.656 12.219 1.00 0.00 O ATOM 780 CG2 THR A 54 10.588 25.128 13.261 1.00 0.00 C ATOM 0 H THR A 54 6.946 23.054 13.932 1.00 0.00 H new ATOM 0 HA THR A 54 9.889 22.832 14.139 1.00 0.00 H new ATOM 0 HB THR A 54 8.671 25.499 14.110 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.629 25.505 11.743 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.630 26.067 12.709 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.087 25.250 14.223 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.090 24.348 12.689 1.00 0.00 H new ATOM 788 N PHE A 55 9.813 24.298 16.365 1.00 0.00 N ATOM 789 CA PHE A 55 9.757 24.628 17.783 1.00 0.00 C ATOM 790 C PHE A 55 9.776 26.141 17.991 1.00 0.00 C ATOM 791 O PHE A 55 10.344 26.636 18.964 1.00 0.00 O ATOM 792 CB PHE A 55 10.932 23.984 18.525 1.00 0.00 C ATOM 793 CG PHE A 55 12.272 24.535 18.129 1.00 0.00 C ATOM 794 CD1 PHE A 55 12.855 24.175 16.923 1.00 0.00 C ATOM 795 CD2 PHE A 55 12.949 25.412 18.961 1.00 0.00 C ATOM 796 CE1 PHE A 55 14.087 24.680 16.557 1.00 0.00 C ATOM 797 CE2 PHE A 55 14.181 25.921 18.598 1.00 0.00 C ATOM 798 CZ PHE A 55 14.752 25.555 17.394 1.00 0.00 C ATOM 0 H PHE A 55 10.690 24.549 15.908 1.00 0.00 H new ATOM 0 HA PHE A 55 8.823 24.236 18.186 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.794 24.124 19.597 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.922 22.910 18.340 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.340 23.492 16.263 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.509 25.701 19.904 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.531 24.391 15.616 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.698 26.605 19.255 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.715 25.952 17.108 1.00 0.00 H new ATOM 808 N SER A 56 9.152 26.867 17.069 1.00 0.00 N ATOM 809 CA SER A 56 9.098 28.323 17.149 1.00 0.00 C ATOM 810 C SER A 56 10.497 28.924 17.077 1.00 0.00 C ATOM 811 O SER A 56 11.473 28.303 17.498 1.00 0.00 O ATOM 812 CB SER A 56 8.407 28.759 18.444 1.00 0.00 C ATOM 813 OG SER A 56 7.594 27.720 18.962 1.00 0.00 O ATOM 0 H SER A 56 8.677 26.471 16.258 1.00 0.00 H new ATOM 0 HA SER A 56 8.522 28.688 16.298 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.157 29.041 19.183 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.797 29.643 18.255 1.00 0.00 H new ATOM 0 HG SER A 56 7.165 28.022 19.790 1.00 0.00 H new ATOM 819 N ASN A 57 10.588 30.136 16.540 1.00 0.00 N ATOM 820 CA ASN A 57 11.869 30.821 16.413 1.00 0.00 C ATOM 821 C ASN A 57 12.221 31.562 17.700 1.00 0.00 C ATOM 822 O ASN A 57 11.442 31.574 18.654 1.00 0.00 O ATOM 823 CB ASN A 57 11.832 31.801 15.238 1.00 0.00 C ATOM 824 CG ASN A 57 13.027 31.645 14.316 1.00 0.00 C ATOM 825 OD1 ASN A 57 13.726 30.632 14.354 1.00 0.00 O ATOM 826 ND2 ASN A 57 13.266 32.651 13.484 1.00 0.00 N ATOM 0 H ASN A 57 9.790 30.664 16.186 1.00 0.00 H new ATOM 0 HA ASN A 57 12.638 30.071 16.227 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.915 31.647 14.669 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.802 32.821 15.620 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.056 32.604 12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.659 33.471 13.488 1.00 0.00 H new ATOM 833 N ASP A 58 13.397 32.179 17.719 1.00 0.00 N ATOM 834 CA ASP A 58 13.852 32.923 18.887 1.00 0.00 C ATOM 835 C ASP A 58 12.998 34.168 19.107 1.00 0.00 C ATOM 836 O ASP A 58 12.743 34.566 20.244 1.00 0.00 O ATOM 837 CB ASP A 58 15.321 33.318 18.728 1.00 0.00 C ATOM 838 CG ASP A 58 15.932 33.811 20.024 1.00 0.00 C ATOM 839 OD1 ASP A 58 16.171 32.979 20.924 1.00 0.00 O ATOM 840 OD2 ASP A 58 16.172 35.032 20.141 1.00 0.00 O ATOM 0 H ASP A 58 14.053 32.179 16.938 1.00 0.00 H new ATOM 0 HA ASP A 58 13.751 32.277 19.759 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.888 32.460 18.366 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.405 34.098 17.971 1.00 0.00 H new ATOM 845 N LYS A 59 12.561 34.778 18.010 1.00 0.00 N ATOM 846 CA LYS A 59 11.737 35.980 18.081 1.00 0.00 C ATOM 847 C LYS A 59 10.362 35.734 17.469 1.00 0.00 C ATOM 848 O LYS A 59 10.128 34.701 16.840 1.00 0.00 O ATOM 849 CB LYS A 59 12.427 37.141 17.364 1.00 0.00 C ATOM 850 CG LYS A 59 13.380 37.925 18.253 1.00 0.00 C ATOM 851 CD LYS A 59 14.699 38.204 17.549 1.00 0.00 C ATOM 852 CE LYS A 59 15.665 37.039 17.691 1.00 0.00 C ATOM 853 NZ LYS A 59 15.547 36.079 16.560 1.00 0.00 N ATOM 0 H LYS A 59 12.763 34.460 17.062 1.00 0.00 H new ATOM 0 HA LYS A 59 11.606 36.238 19.132 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.979 36.752 16.508 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.668 37.818 16.973 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.915 38.867 18.544 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.567 37.366 19.170 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.514 38.398 16.492 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.151 39.105 17.964 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.686 37.418 17.741 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.472 36.520 18.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.366 35.438 16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.673 35.525 16.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.520 36.602 15.662 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 0.812 -13.456 -0.829 1.00 0.00 ZN