USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 518 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 34 CYS SG : rot -77:sc= 0.272 USER MOD Set 1.2: A 37 CYS SG : rot -78:sc= 0.954 USER MOD Set 1.3: A 54 CYS SG : rot 180:sc= -1 USER MOD Set 1.4: A 58 HIS : no HE2:sc= -1.18 K(o=-0.96,f=-3.7) USER MOD Set 2.1: A 42 GLN : amide:sc= -4.5! K(o=-4.5!,f=-1.1) USER MOD Set 2.2: A 56 ASN : amide:sc= 0 K(o=-4.5,f=-2.1) USER MOD Set 3.1: A 31 GLN : amide:sc= 0 K(o=-0.14,f=-0.88) USER MOD Set 3.2: A 71 SER OG : rot 170:sc= -0.143 USER MOD Set 4.1: A 5 CYS SG : rot 171:sc= 0.49 USER MOD Set 4.2: A 8 CYS SG : rot -125:sc= -1.27! USER MOD Set 4.3: A 21 CYS SG : rot 23:sc= 3.35 USER MOD Set 4.4: A 23 THR OG1 : rot 101:sc= 0.123 USER MOD Set 4.5: A 24 CYS SG : rot 82:sc= -2.22! USER MOD Single : A 4 THR OG1 : rot -53:sc= 1.06 USER MOD Single : A 9 HIS : no HD1:sc= -0.0935 X(o=-0.093,f=-0.0045) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.1!) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.0397 (180deg=-0.3) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.00063) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 26:sc= 1.25 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.348) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.116 (180deg=-0.466) USER MOD Single : A 67 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 10.600 3.428 5.857 1.00 0.00 N ATOM 21 CA GLU A 2 9.951 4.408 5.002 1.00 0.00 C ATOM 22 C GLU A 2 9.957 3.968 3.545 1.00 0.00 C ATOM 23 O GLU A 2 10.845 3.231 3.107 1.00 0.00 O ATOM 24 CB GLU A 2 10.595 5.798 5.158 1.00 0.00 C ATOM 25 CG GLU A 2 12.114 5.804 5.323 1.00 0.00 C ATOM 26 CD GLU A 2 12.877 5.377 4.082 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.764 6.053 3.038 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.623 4.377 4.157 1.00 0.00 O ATOM 0 HA GLU A 2 8.912 4.481 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.339 6.398 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.151 6.290 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.434 6.807 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.381 5.141 6.146 1.00 0.00 H new ATOM 35 N ILE A 3 8.942 4.394 2.809 1.00 0.00 N ATOM 36 CA ILE A 3 8.876 4.143 1.382 1.00 0.00 C ATOM 37 C ILE A 3 9.745 5.165 0.667 1.00 0.00 C ATOM 38 O ILE A 3 9.370 6.331 0.532 1.00 0.00 O ATOM 39 CB ILE A 3 7.429 4.211 0.824 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.515 3.174 1.496 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.430 3.996 -0.685 1.00 0.00 C ATOM 42 CD1 ILE A 3 6.023 3.576 2.871 1.00 0.00 C ATOM 0 H ILE A 3 8.150 4.918 3.181 1.00 0.00 H new ATOM 0 HA ILE A 3 9.235 3.129 1.206 1.00 0.00 H new ATOM 0 HB ILE A 3 7.038 5.204 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.654 2.995 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.054 2.230 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.408 4.047 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.031 4.770 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.852 3.017 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.385 2.789 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.876 3.726 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.454 4.503 2.797 1.00 0.00 H new ATOM 54 N THR A 4 10.921 4.734 0.255 1.00 0.00 N ATOM 55 CA THR A 4 11.882 5.623 -0.364 1.00 0.00 C ATOM 56 C THR A 4 11.516 5.908 -1.817 1.00 0.00 C ATOM 57 O THR A 4 11.387 4.988 -2.629 1.00 0.00 O ATOM 58 CB THR A 4 13.292 5.016 -0.306 1.00 0.00 C ATOM 59 OG1 THR A 4 13.489 4.377 0.966 1.00 0.00 O ATOM 60 CG2 THR A 4 14.351 6.090 -0.507 1.00 0.00 C ATOM 0 H THR A 4 11.235 3.767 0.339 1.00 0.00 H new ATOM 0 HA THR A 4 11.866 6.561 0.192 1.00 0.00 H new ATOM 0 HB THR A 4 13.387 4.282 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.280 5.009 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.341 5.637 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.211 6.561 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.260 6.842 0.277 1.00 0.00 H new ATOM 68 N CYS A 5 11.333 7.183 -2.129 1.00 0.00 N ATOM 69 CA CYS A 5 11.093 7.609 -3.497 1.00 0.00 C ATOM 70 C CYS A 5 12.345 7.385 -4.332 1.00 0.00 C ATOM 71 O CYS A 5 13.427 7.852 -3.973 1.00 0.00 O ATOM 72 CB CYS A 5 10.701 9.089 -3.529 1.00 0.00 C ATOM 73 SG CYS A 5 10.453 9.764 -5.190 1.00 0.00 S ATOM 0 H CYS A 5 11.347 7.943 -1.448 1.00 0.00 H new ATOM 0 HA CYS A 5 10.275 7.021 -3.913 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.783 9.221 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.476 9.668 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 5 9.942 10.956 -5.102 1.00 0.00 H new ATOM 78 N PRO A 6 12.219 6.662 -5.452 1.00 0.00 N ATOM 79 CA PRO A 6 13.355 6.360 -6.327 1.00 0.00 C ATOM 80 C PRO A 6 13.909 7.608 -7.010 1.00 0.00 C ATOM 81 O PRO A 6 15.081 7.648 -7.391 1.00 0.00 O ATOM 82 CB PRO A 6 12.767 5.396 -7.363 1.00 0.00 C ATOM 83 CG PRO A 6 11.302 5.667 -7.356 1.00 0.00 C ATOM 84 CD PRO A 6 10.963 6.073 -5.949 1.00 0.00 C ATOM 0 HA PRO A 6 14.195 5.944 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.195 5.569 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.978 4.359 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.048 6.457 -8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.740 4.782 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.144 6.792 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.654 5.218 -5.347 1.00 0.00 H new ATOM 92 N VAL A 7 13.070 8.626 -7.142 1.00 0.00 N ATOM 93 CA VAL A 7 13.453 9.842 -7.843 1.00 0.00 C ATOM 94 C VAL A 7 14.198 10.801 -6.918 1.00 0.00 C ATOM 95 O VAL A 7 15.382 11.062 -7.112 1.00 0.00 O ATOM 96 CB VAL A 7 12.229 10.559 -8.448 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.666 11.748 -9.292 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.394 9.594 -9.277 1.00 0.00 C ATOM 0 H VAL A 7 12.119 8.633 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 7 14.116 9.542 -8.654 1.00 0.00 H new ATOM 0 HB VAL A 7 11.612 10.928 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.788 12.240 -9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.216 12.454 -8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.308 11.403 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.536 10.121 -9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.001 9.191 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.046 8.778 -8.644 1.00 0.00 H new ATOM 108 N CYS A 8 13.514 11.312 -5.899 1.00 0.00 N ATOM 109 CA CYS A 8 14.119 12.304 -5.016 1.00 0.00 C ATOM 110 C CYS A 8 14.954 11.643 -3.921 1.00 0.00 C ATOM 111 O CYS A 8 15.627 12.331 -3.147 1.00 0.00 O ATOM 112 CB CYS A 8 13.047 13.211 -4.396 1.00 0.00 C ATOM 113 SG CYS A 8 11.919 12.398 -3.232 1.00 0.00 S ATOM 0 H CYS A 8 12.553 11.060 -5.666 1.00 0.00 H new ATOM 0 HA CYS A 8 14.785 12.918 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.544 14.032 -3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.457 13.650 -5.201 1.00 0.00 H new ATOM 0 HG CYS A 8 10.691 12.591 -3.612 1.00 0.00 H new ATOM 118 N HIS A 9 14.905 10.310 -3.864 1.00 0.00 N ATOM 119 CA HIS A 9 15.651 9.531 -2.872 1.00 0.00 C ATOM 120 C HIS A 9 15.337 10.030 -1.463 1.00 0.00 C ATOM 121 O HIS A 9 16.228 10.323 -0.670 1.00 0.00 O ATOM 122 CB HIS A 9 17.158 9.599 -3.154 1.00 0.00 C ATOM 123 CG HIS A 9 17.955 8.529 -2.467 1.00 0.00 C ATOM 124 ND1 HIS A 9 18.204 7.299 -3.035 1.00 0.00 N ATOM 125 CD2 HIS A 9 18.560 8.511 -1.255 1.00 0.00 C ATOM 126 CE1 HIS A 9 18.927 6.572 -2.204 1.00 0.00 C ATOM 127 NE2 HIS A 9 19.155 7.283 -1.118 1.00 0.00 N ATOM 0 H HIS A 9 14.349 9.741 -4.502 1.00 0.00 H new ATOM 0 HA HIS A 9 15.342 8.488 -2.943 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.320 9.525 -4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.532 10.574 -2.842 1.00 0.00 H new ATOM 0 HD2 HIS A 9 18.572 9.313 -0.532 1.00 0.00 H new ATOM 0 HE1 HIS A 9 19.273 5.565 -2.384 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.688 6.970 -0.306 1.00 0.00 H new ATOM 136 N HIS A 10 14.055 10.135 -1.172 1.00 0.00 N ATOM 137 CA HIS A 10 13.592 10.621 0.119 1.00 0.00 C ATOM 138 C HIS A 10 12.407 9.796 0.584 1.00 0.00 C ATOM 139 O HIS A 10 11.745 9.148 -0.228 1.00 0.00 O ATOM 140 CB HIS A 10 13.171 12.087 0.023 1.00 0.00 C ATOM 141 CG HIS A 10 14.195 13.072 0.499 1.00 0.00 C ATOM 142 ND1 HIS A 10 13.922 14.020 1.458 1.00 0.00 N ATOM 143 CD2 HIS A 10 15.476 13.286 0.116 1.00 0.00 C ATOM 144 CE1 HIS A 10 14.987 14.778 1.639 1.00 0.00 C ATOM 145 NE2 HIS A 10 15.948 14.352 0.840 1.00 0.00 N ATOM 0 H HIS A 10 13.306 9.888 -1.819 1.00 0.00 H new ATOM 0 HA HIS A 10 14.411 10.531 0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.927 12.312 -1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.258 12.226 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.025 12.722 -0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.060 15.608 2.326 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.885 14.749 0.772 1.00 0.00 H new ATOM 154 N ALA A 11 12.142 9.834 1.877 1.00 0.00 N ATOM 155 CA ALA A 11 11.004 9.134 2.441 1.00 0.00 C ATOM 156 C ALA A 11 9.708 9.783 1.984 1.00 0.00 C ATOM 157 O ALA A 11 9.518 10.990 2.155 1.00 0.00 O ATOM 158 CB ALA A 11 11.086 9.134 3.959 1.00 0.00 C ATOM 0 H ALA A 11 12.703 10.345 2.559 1.00 0.00 H new ATOM 0 HA ALA A 11 11.020 8.102 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.226 8.605 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.003 8.635 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.088 10.161 4.323 1.00 0.00 H new ATOM 164 N LEU A 12 8.835 8.993 1.381 1.00 0.00 N ATOM 165 CA LEU A 12 7.541 9.488 0.946 1.00 0.00 C ATOM 166 C LEU A 12 6.631 9.731 2.142 1.00 0.00 C ATOM 167 O LEU A 12 6.783 9.104 3.194 1.00 0.00 O ATOM 168 CB LEU A 12 6.881 8.507 -0.026 1.00 0.00 C ATOM 169 CG LEU A 12 7.554 8.398 -1.393 1.00 0.00 C ATOM 170 CD1 LEU A 12 6.859 7.352 -2.250 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.548 9.749 -2.092 1.00 0.00 C ATOM 0 H LEU A 12 9.000 8.006 1.182 1.00 0.00 H new ATOM 0 HA LEU A 12 7.700 10.434 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.866 7.519 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.843 8.807 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 12 8.588 8.087 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.353 7.289 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.910 6.383 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.815 7.633 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.031 9.657 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.520 10.084 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.089 10.475 -1.485 1.00 0.00 H new ATOM 183 N GLU A 13 5.700 10.649 1.977 1.00 0.00 N ATOM 184 CA GLU A 13 4.758 10.977 3.025 1.00 0.00 C ATOM 185 C GLU A 13 3.420 10.317 2.729 1.00 0.00 C ATOM 186 O GLU A 13 2.687 10.739 1.834 1.00 0.00 O ATOM 187 CB GLU A 13 4.616 12.493 3.131 1.00 0.00 C ATOM 188 CG GLU A 13 3.646 12.955 4.200 1.00 0.00 C ATOM 189 CD GLU A 13 3.691 14.452 4.394 1.00 0.00 C ATOM 190 OE1 GLU A 13 3.331 15.190 3.453 1.00 0.00 O ATOM 191 OE2 GLU A 13 4.116 14.901 5.479 1.00 0.00 O ATOM 0 H GLU A 13 5.576 11.185 1.118 1.00 0.00 H new ATOM 0 HA GLU A 13 5.120 10.602 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.596 12.925 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.290 12.884 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.635 12.655 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.881 12.460 5.142 1.00 0.00 H new ATOM 198 N ARG A 14 3.116 9.261 3.464 1.00 0.00 N ATOM 199 CA ARG A 14 1.925 8.478 3.196 1.00 0.00 C ATOM 200 C ARG A 14 0.699 9.073 3.873 1.00 0.00 C ATOM 201 O ARG A 14 0.755 9.526 5.019 1.00 0.00 O ATOM 202 CB ARG A 14 2.134 7.009 3.606 1.00 0.00 C ATOM 203 CG ARG A 14 2.599 6.793 5.043 1.00 0.00 C ATOM 204 CD ARG A 14 1.442 6.789 6.033 1.00 0.00 C ATOM 205 NE ARG A 14 1.902 6.603 7.409 1.00 0.00 N ATOM 206 CZ ARG A 14 1.110 6.642 8.479 1.00 0.00 C ATOM 207 NH1 ARG A 14 -0.189 6.891 8.348 1.00 0.00 N ATOM 208 NH2 ARG A 14 1.618 6.439 9.687 1.00 0.00 N ATOM 0 H ARG A 14 3.676 8.928 4.248 1.00 0.00 H new ATOM 0 HA ARG A 14 1.744 8.506 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.197 6.471 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.866 6.562 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.134 5.846 5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.304 7.578 5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.896 7.729 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.744 5.993 5.773 1.00 0.00 H new ATOM 0 HE ARG A 14 2.896 6.432 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.586 7.054 7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.789 6.919 9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.615 6.253 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.012 6.469 10.507 1.00 0.00 H new ATOM 222 N ASN A 15 -0.397 9.103 3.137 1.00 0.00 N ATOM 223 CA ASN A 15 -1.676 9.533 3.677 1.00 0.00 C ATOM 224 C ASN A 15 -2.484 8.307 4.065 1.00 0.00 C ATOM 225 O ASN A 15 -3.310 8.346 4.975 1.00 0.00 O ATOM 226 CB ASN A 15 -2.458 10.349 2.642 1.00 0.00 C ATOM 227 CG ASN A 15 -1.626 11.437 1.990 1.00 0.00 C ATOM 228 OD1 ASN A 15 -1.027 11.228 0.932 1.00 0.00 O ATOM 229 ND2 ASN A 15 -1.570 12.599 2.617 1.00 0.00 N ATOM 0 H ASN A 15 -0.427 8.832 2.154 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.497 10.162 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.837 9.679 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.324 10.802 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.017 13.362 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.080 12.732 3.490 1.00 0.00 H new ATOM 236 N GLY A 16 -2.211 7.214 3.366 1.00 0.00 N ATOM 237 CA GLY A 16 -2.942 5.979 3.560 1.00 0.00 C ATOM 238 C GLY A 16 -3.042 5.204 2.266 1.00 0.00 C ATOM 239 O GLY A 16 -2.267 4.278 2.029 1.00 0.00 O ATOM 0 H GLY A 16 -1.482 7.162 2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.444 5.371 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.941 6.198 3.936 1.00 0.00 H new ATOM 243 N ASP A 17 -3.977 5.607 1.416 1.00 0.00 N ATOM 244 CA ASP A 17 -4.120 5.024 0.083 1.00 0.00 C ATOM 245 C ASP A 17 -3.146 5.675 -0.883 1.00 0.00 C ATOM 246 O ASP A 17 -2.913 5.183 -1.985 1.00 0.00 O ATOM 247 CB ASP A 17 -5.541 5.220 -0.453 1.00 0.00 C ATOM 248 CG ASP A 17 -6.584 4.446 0.316 1.00 0.00 C ATOM 249 OD1 ASP A 17 -6.831 3.272 -0.037 1.00 0.00 O ATOM 250 OD2 ASP A 17 -7.180 5.017 1.255 1.00 0.00 O ATOM 0 H ASP A 17 -4.654 6.341 1.626 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.909 3.958 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.790 6.281 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.572 4.916 -1.499 1.00 0.00 H new ATOM 255 N THR A 18 -2.590 6.798 -0.468 1.00 0.00 N ATOM 256 CA THR A 18 -1.727 7.579 -1.333 1.00 0.00 C ATOM 257 C THR A 18 -0.415 7.926 -0.639 1.00 0.00 C ATOM 258 O THR A 18 -0.379 8.145 0.575 1.00 0.00 O ATOM 259 CB THR A 18 -2.447 8.870 -1.771 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.755 8.545 -2.259 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.669 9.601 -2.857 1.00 0.00 C ATOM 0 H THR A 18 -2.721 7.190 0.465 1.00 0.00 H new ATOM 0 HA THR A 18 -1.497 6.976 -2.212 1.00 0.00 H new ATOM 0 HB THR A 18 -2.521 9.528 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.214 9.365 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.205 10.506 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.681 9.868 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.563 8.953 -3.727 1.00 0.00 H new ATOM 269 N ALA A 19 0.660 7.938 -1.412 1.00 0.00 N ATOM 270 CA ALA A 19 1.952 8.392 -0.937 1.00 0.00 C ATOM 271 C ALA A 19 2.308 9.695 -1.629 1.00 0.00 C ATOM 272 O ALA A 19 2.594 9.714 -2.827 1.00 0.00 O ATOM 273 CB ALA A 19 3.025 7.345 -1.199 1.00 0.00 C ATOM 0 H ALA A 19 0.658 7.633 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 19 1.898 8.553 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.985 7.709 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.766 6.421 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.093 7.154 -2.270 1.00 0.00 H new ATOM 279 N HIS A 20 2.260 10.785 -0.887 1.00 0.00 N ATOM 280 CA HIS A 20 2.524 12.094 -1.448 1.00 0.00 C ATOM 281 C HIS A 20 4.015 12.387 -1.407 1.00 0.00 C ATOM 282 O HIS A 20 4.627 12.378 -0.335 1.00 0.00 O ATOM 283 CB HIS A 20 1.749 13.166 -0.680 1.00 0.00 C ATOM 284 CG HIS A 20 1.880 14.538 -1.263 1.00 0.00 C ATOM 285 ND1 HIS A 20 1.218 14.928 -2.401 1.00 0.00 N ATOM 286 CD2 HIS A 20 2.599 15.610 -0.860 1.00 0.00 C ATOM 287 CE1 HIS A 20 1.523 16.182 -2.676 1.00 0.00 C ATOM 288 NE2 HIS A 20 2.359 16.623 -1.754 1.00 0.00 N ATOM 0 H HIS A 20 2.040 10.788 0.109 1.00 0.00 H new ATOM 0 HA HIS A 20 2.193 12.106 -2.487 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.695 12.891 -0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.099 13.185 0.352 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.589 14.340 -2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.243 15.660 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.151 16.752 -3.515 1.00 0.00 H new ATOM 297 N CYS A 21 4.601 12.647 -2.563 1.00 0.00 N ATOM 298 CA CYS A 21 6.012 12.951 -2.618 1.00 0.00 C ATOM 299 C CYS A 21 6.259 14.393 -2.210 1.00 0.00 C ATOM 300 O CYS A 21 5.691 15.331 -2.768 1.00 0.00 O ATOM 301 CB CYS A 21 6.598 12.699 -4.005 1.00 0.00 C ATOM 302 SG CYS A 21 8.380 13.008 -4.091 1.00 0.00 S ATOM 0 H CYS A 21 4.124 12.653 -3.465 1.00 0.00 H new ATOM 0 HA CYS A 21 6.513 12.283 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.400 11.667 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.090 13.336 -4.729 1.00 0.00 H new ATOM 0 HG CYS A 21 8.894 12.917 -2.900 1.00 0.00 H new ATOM 307 N GLU A 22 7.132 14.530 -1.237 1.00 0.00 N ATOM 308 CA GLU A 22 7.495 15.811 -0.650 1.00 0.00 C ATOM 309 C GLU A 22 8.388 16.643 -1.570 1.00 0.00 C ATOM 310 O GLU A 22 8.698 17.790 -1.264 1.00 0.00 O ATOM 311 CB GLU A 22 8.219 15.572 0.683 1.00 0.00 C ATOM 312 CG GLU A 22 8.745 14.145 0.881 1.00 0.00 C ATOM 313 CD GLU A 22 9.691 13.676 -0.217 1.00 0.00 C ATOM 314 OE1 GLU A 22 10.881 14.016 -0.205 1.00 0.00 O ATOM 315 OE2 GLU A 22 9.256 12.979 -1.147 1.00 0.00 O ATOM 0 H GLU A 22 7.623 13.740 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 22 6.574 16.373 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.056 16.266 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.536 15.809 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.261 14.089 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.898 13.461 0.934 1.00 0.00 H new ATOM 322 N THR A 23 8.802 16.077 -2.695 1.00 0.00 N ATOM 323 CA THR A 23 9.769 16.755 -3.552 1.00 0.00 C ATOM 324 C THR A 23 9.321 16.773 -5.014 1.00 0.00 C ATOM 325 O THR A 23 9.185 17.837 -5.615 1.00 0.00 O ATOM 326 CB THR A 23 11.151 16.083 -3.441 1.00 0.00 C ATOM 327 OG1 THR A 23 11.114 15.080 -2.412 1.00 0.00 O ATOM 328 CG2 THR A 23 12.231 17.100 -3.094 1.00 0.00 C ATOM 0 H THR A 23 8.491 15.166 -3.033 1.00 0.00 H new ATOM 0 HA THR A 23 9.837 17.787 -3.208 1.00 0.00 H new ATOM 0 HB THR A 23 11.388 15.634 -4.406 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.017 14.195 -2.821 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.195 16.597 -3.022 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.276 17.862 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.995 17.570 -2.139 1.00 0.00 H new ATOM 336 N CYS A 24 9.065 15.595 -5.565 1.00 0.00 N ATOM 337 CA CYS A 24 8.726 15.463 -6.979 1.00 0.00 C ATOM 338 C CYS A 24 7.265 15.841 -7.234 1.00 0.00 C ATOM 339 O CYS A 24 6.799 15.811 -8.376 1.00 0.00 O ATOM 340 CB CYS A 24 8.998 14.028 -7.430 1.00 0.00 C ATOM 341 SG CYS A 24 10.603 13.388 -6.885 1.00 0.00 S ATOM 0 H CYS A 24 9.085 14.713 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 24 9.346 16.148 -7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.209 13.380 -7.048 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.949 13.982 -8.518 1.00 0.00 H new ATOM 0 HG CYS A 24 10.511 12.977 -5.655 1.00 0.00 H new ATOM 346 N ALA A 25 6.551 16.177 -6.153 1.00 0.00 N ATOM 347 CA ALA A 25 5.160 16.638 -6.222 1.00 0.00 C ATOM 348 C ALA A 25 4.246 15.589 -6.845 1.00 0.00 C ATOM 349 O ALA A 25 3.154 15.905 -7.324 1.00 0.00 O ATOM 350 CB ALA A 25 5.071 17.947 -6.995 1.00 0.00 C ATOM 0 H ALA A 25 6.923 16.137 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 25 4.819 16.806 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.032 18.275 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.672 18.707 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.445 17.798 -8.008 1.00 0.00 H new ATOM 356 N LYS A 26 4.688 14.342 -6.818 1.00 0.00 N ATOM 357 CA LYS A 26 3.950 13.249 -7.423 1.00 0.00 C ATOM 358 C LYS A 26 3.257 12.432 -6.337 1.00 0.00 C ATOM 359 O LYS A 26 3.781 12.293 -5.232 1.00 0.00 O ATOM 360 CB LYS A 26 4.912 12.369 -8.230 1.00 0.00 C ATOM 361 CG LYS A 26 4.235 11.463 -9.246 1.00 0.00 C ATOM 362 CD LYS A 26 5.263 10.652 -10.020 1.00 0.00 C ATOM 363 CE LYS A 26 4.639 9.903 -11.189 1.00 0.00 C ATOM 364 NZ LYS A 26 4.088 10.827 -12.216 1.00 0.00 N ATOM 0 H LYS A 26 5.564 14.061 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 26 3.189 13.646 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.622 13.011 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.487 11.753 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.544 10.791 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.644 12.063 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.044 11.316 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.743 9.940 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.389 9.258 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.843 9.255 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.938 10.308 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.182 11.214 -11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.758 11.606 -12.378 1.00 0.00 H new ATOM 378 N ASP A 27 2.077 11.918 -6.643 1.00 0.00 N ATOM 379 CA ASP A 27 1.338 11.091 -5.696 1.00 0.00 C ATOM 380 C ASP A 27 1.326 9.645 -6.165 1.00 0.00 C ATOM 381 O ASP A 27 1.015 9.362 -7.322 1.00 0.00 O ATOM 382 CB ASP A 27 -0.096 11.606 -5.517 1.00 0.00 C ATOM 383 CG ASP A 27 -0.158 12.940 -4.796 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.088 12.955 -3.549 1.00 0.00 O ATOM 385 OD2 ASP A 27 -0.280 13.982 -5.472 1.00 0.00 O ATOM 0 H ASP A 27 1.608 12.057 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 27 1.839 11.147 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.566 11.705 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.674 10.870 -4.959 1.00 0.00 H new ATOM 390 N PHE A 28 1.690 8.739 -5.272 1.00 0.00 N ATOM 391 CA PHE A 28 1.759 7.321 -5.600 1.00 0.00 C ATOM 392 C PHE A 28 0.631 6.557 -4.914 1.00 0.00 C ATOM 393 O PHE A 28 0.124 6.986 -3.880 1.00 0.00 O ATOM 394 CB PHE A 28 3.112 6.744 -5.174 1.00 0.00 C ATOM 395 CG PHE A 28 4.292 7.433 -5.805 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.799 6.997 -7.019 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.897 8.515 -5.182 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.883 7.627 -7.601 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.981 9.149 -5.760 1.00 0.00 C ATOM 400 CZ PHE A 28 6.475 8.702 -6.970 1.00 0.00 C ATOM 0 H PHE A 28 1.944 8.960 -4.309 1.00 0.00 H new ATOM 0 HA PHE A 28 1.650 7.213 -6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.200 6.812 -4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.142 5.685 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.341 6.155 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.517 8.866 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.266 7.278 -8.549 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.441 9.992 -5.266 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.324 9.193 -7.422 1.00 0.00 H new ATOM 410 N SER A 29 0.238 5.433 -5.492 1.00 0.00 N ATOM 411 CA SER A 29 -0.810 4.608 -4.913 1.00 0.00 C ATOM 412 C SER A 29 -0.223 3.619 -3.906 1.00 0.00 C ATOM 413 O SER A 29 0.726 2.895 -4.215 1.00 0.00 O ATOM 414 CB SER A 29 -1.553 3.846 -6.012 1.00 0.00 C ATOM 415 OG SER A 29 -2.024 4.720 -7.024 1.00 0.00 O ATOM 0 H SER A 29 0.629 5.071 -6.362 1.00 0.00 H new ATOM 0 HA SER A 29 -1.511 5.262 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.889 3.102 -6.453 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.394 3.305 -5.577 1.00 0.00 H new ATOM 0 HG SER A 29 -2.492 4.202 -7.712 1.00 0.00 H new ATOM 421 N LEU A 30 -0.785 3.596 -2.706 1.00 0.00 N ATOM 422 CA LEU A 30 -0.339 2.675 -1.671 1.00 0.00 C ATOM 423 C LEU A 30 -1.420 1.659 -1.352 1.00 0.00 C ATOM 424 O LEU A 30 -2.610 1.975 -1.366 1.00 0.00 O ATOM 425 CB LEU A 30 0.039 3.417 -0.388 1.00 0.00 C ATOM 426 CG LEU A 30 1.325 4.235 -0.449 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.617 4.842 0.914 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.490 3.371 -0.907 1.00 0.00 C ATOM 0 H LEU A 30 -1.552 4.206 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 30 0.542 2.163 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.781 4.084 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.132 2.688 0.417 1.00 0.00 H new ATOM 0 HG LEU A 30 1.194 5.039 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.537 5.425 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.792 5.491 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.732 4.046 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.398 3.974 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.629 2.547 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.279 2.972 -1.899 1.00 0.00 H new ATOM 440 N GLN A 31 -0.996 0.438 -1.079 1.00 0.00 N ATOM 441 CA GLN A 31 -1.901 -0.613 -0.650 1.00 0.00 C ATOM 442 C GLN A 31 -1.284 -1.376 0.509 1.00 0.00 C ATOM 443 O GLN A 31 -0.113 -1.752 0.453 1.00 0.00 O ATOM 444 CB GLN A 31 -2.201 -1.581 -1.799 1.00 0.00 C ATOM 445 CG GLN A 31 -3.027 -0.976 -2.922 1.00 0.00 C ATOM 446 CD GLN A 31 -3.259 -1.948 -4.063 1.00 0.00 C ATOM 447 OE1 GLN A 31 -3.303 -3.164 -3.865 1.00 0.00 O ATOM 448 NE2 GLN A 31 -3.413 -1.422 -5.268 1.00 0.00 N ATOM 0 H GLN A 31 -0.020 0.148 -1.148 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.837 -0.153 -0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.259 -1.943 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.729 -2.448 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.989 -0.650 -2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.522 -0.088 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.370 -0.410 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.575 -2.028 -6.072 1.00 0.00 H new ATOM 457 N ALA A 32 -2.059 -1.580 1.565 1.00 0.00 N ATOM 458 CA ALA A 32 -1.616 -2.408 2.673 1.00 0.00 C ATOM 459 C ALA A 32 -1.789 -3.873 2.304 1.00 0.00 C ATOM 460 O ALA A 32 -2.894 -4.404 2.368 1.00 0.00 O ATOM 461 CB ALA A 32 -2.389 -2.078 3.945 1.00 0.00 C ATOM 0 H ALA A 32 -2.993 -1.185 1.676 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.563 -2.207 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.038 -2.712 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.231 -1.032 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.452 -2.254 3.781 1.00 0.00 H new ATOM 467 N LEU A 33 -0.712 -4.505 1.873 1.00 0.00 N ATOM 468 CA LEU A 33 -0.776 -5.891 1.446 1.00 0.00 C ATOM 469 C LEU A 33 -0.313 -6.824 2.550 1.00 0.00 C ATOM 470 O LEU A 33 0.492 -6.449 3.406 1.00 0.00 O ATOM 471 CB LEU A 33 0.077 -6.117 0.193 1.00 0.00 C ATOM 472 CG LEU A 33 -0.395 -5.379 -1.061 1.00 0.00 C ATOM 473 CD1 LEU A 33 0.473 -5.747 -2.253 1.00 0.00 C ATOM 474 CD2 LEU A 33 -1.856 -5.689 -1.347 1.00 0.00 C ATOM 0 H LEU A 33 0.214 -4.082 1.810 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.817 -6.112 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.101 -5.812 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.102 -7.185 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.301 -4.307 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.123 -5.213 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.508 -5.472 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.412 -6.821 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.173 -5.155 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.977 -6.761 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.467 -5.374 -0.501 1.00 0.00 H new ATOM 486 N CYS A 34 -0.824 -8.041 2.517 1.00 0.00 N ATOM 487 CA CYS A 34 -0.395 -9.070 3.437 1.00 0.00 C ATOM 488 C CYS A 34 0.659 -9.918 2.734 1.00 0.00 C ATOM 489 O CYS A 34 0.479 -10.290 1.576 1.00 0.00 O ATOM 490 CB CYS A 34 -1.602 -9.914 3.868 1.00 0.00 C ATOM 491 SG CYS A 34 -1.274 -11.145 5.152 1.00 0.00 S ATOM 0 H CYS A 34 -1.542 -8.339 1.857 1.00 0.00 H new ATOM 0 HA CYS A 34 0.037 -8.635 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.384 -9.243 4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.997 -10.426 2.991 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.660 -12.164 4.629 1.00 0.00 H new ATOM 496 N PRO A 35 1.779 -10.200 3.420 1.00 0.00 N ATOM 497 CA PRO A 35 2.941 -10.897 2.844 1.00 0.00 C ATOM 498 C PRO A 35 2.555 -12.132 2.031 1.00 0.00 C ATOM 499 O PRO A 35 3.112 -12.386 0.961 1.00 0.00 O ATOM 500 CB PRO A 35 3.776 -11.299 4.073 1.00 0.00 C ATOM 501 CG PRO A 35 2.953 -10.937 5.271 1.00 0.00 C ATOM 502 CD PRO A 35 2.006 -9.861 4.824 1.00 0.00 C ATOM 0 HA PRO A 35 3.475 -10.259 2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.998 -12.366 4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.731 -10.774 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.408 -11.804 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.586 -10.584 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.080 -9.872 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.439 -8.867 4.936 1.00 0.00 H new ATOM 510 N ASP A 36 1.604 -12.890 2.549 1.00 0.00 N ATOM 511 CA ASP A 36 1.085 -14.060 1.854 1.00 0.00 C ATOM 512 C ASP A 36 -0.042 -13.649 0.888 1.00 0.00 C ATOM 513 O ASP A 36 0.222 -13.188 -0.223 1.00 0.00 O ATOM 514 CB ASP A 36 0.605 -15.108 2.881 1.00 0.00 C ATOM 515 CG ASP A 36 -0.439 -14.562 3.846 1.00 0.00 C ATOM 516 OD1 ASP A 36 -0.167 -13.611 4.580 1.00 0.00 O ATOM 517 OD2 ASP A 36 -1.582 -15.025 3.840 1.00 0.00 O ATOM 0 H ASP A 36 1.171 -12.716 3.456 1.00 0.00 H new ATOM 0 HA ASP A 36 1.878 -14.512 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.188 -15.964 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.462 -15.471 3.449 1.00 0.00 H new ATOM 522 N CYS A 37 -1.283 -13.829 1.319 1.00 0.00 N ATOM 523 CA CYS A 37 -2.456 -13.339 0.609 1.00 0.00 C ATOM 524 C CYS A 37 -2.362 -11.836 0.334 1.00 0.00 C ATOM 525 O CYS A 37 -2.464 -11.028 1.248 1.00 0.00 O ATOM 526 CB CYS A 37 -3.698 -13.637 1.458 1.00 0.00 C ATOM 527 SG CYS A 37 -3.540 -13.135 3.201 1.00 0.00 S ATOM 0 H CYS A 37 -1.506 -14.325 2.182 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.520 -13.844 -0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.556 -13.127 1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.907 -14.706 1.416 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.816 -14.006 3.839 1.00 0.00 H new ATOM 532 N ARG A 38 -2.162 -11.466 -0.922 1.00 0.00 N ATOM 533 CA ARG A 38 -2.088 -10.056 -1.293 1.00 0.00 C ATOM 534 C ARG A 38 -3.369 -9.625 -1.993 1.00 0.00 C ATOM 535 O ARG A 38 -3.402 -8.612 -2.692 1.00 0.00 O ATOM 536 CB ARG A 38 -0.887 -9.805 -2.208 1.00 0.00 C ATOM 537 CG ARG A 38 0.434 -10.277 -1.630 1.00 0.00 C ATOM 538 CD ARG A 38 1.599 -9.887 -2.519 1.00 0.00 C ATOM 539 NE ARG A 38 2.847 -10.524 -2.102 1.00 0.00 N ATOM 540 CZ ARG A 38 4.051 -10.156 -2.543 1.00 0.00 C ATOM 541 NH1 ARG A 38 4.172 -9.124 -3.372 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.134 -10.817 -2.155 1.00 0.00 N ATOM 0 H ARG A 38 -2.048 -12.116 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.966 -9.469 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.056 -10.308 -3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.820 -8.738 -2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.572 -9.848 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.414 -11.360 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.377 -10.165 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.722 -8.804 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 38 2.794 -11.294 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.343 -8.611 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.094 -8.845 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.047 -11.609 -1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.053 -10.533 -2.494 1.00 0.00 H new ATOM 556 N GLN A 39 -4.430 -10.390 -1.779 1.00 0.00 N ATOM 557 CA GLN A 39 -5.686 -10.167 -2.489 1.00 0.00 C ATOM 558 C GLN A 39 -6.883 -10.070 -1.531 1.00 0.00 C ATOM 559 O GLN A 39 -7.515 -9.017 -1.448 1.00 0.00 O ATOM 560 CB GLN A 39 -5.936 -11.279 -3.521 1.00 0.00 C ATOM 561 CG GLN A 39 -4.857 -11.401 -4.586 1.00 0.00 C ATOM 562 CD GLN A 39 -5.114 -12.543 -5.554 1.00 0.00 C ATOM 563 OE1 GLN A 39 -4.722 -12.485 -6.721 1.00 0.00 O ATOM 564 NE2 GLN A 39 -5.774 -13.592 -5.080 1.00 0.00 N ATOM 0 H GLN A 39 -4.449 -11.169 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.590 -9.212 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.022 -12.231 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.893 -11.096 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.794 -10.466 -5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.891 -11.550 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.083 -13.604 -4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.973 -14.387 -5.688 1.00 0.00 H new ATOM 573 N PRO A 40 -7.206 -11.146 -0.774 1.00 0.00 N ATOM 574 CA PRO A 40 -8.464 -11.226 -0.017 1.00 0.00 C ATOM 575 C PRO A 40 -8.438 -10.485 1.320 1.00 0.00 C ATOM 576 O PRO A 40 -8.978 -10.967 2.316 1.00 0.00 O ATOM 577 CB PRO A 40 -8.619 -12.725 0.212 1.00 0.00 C ATOM 578 CG PRO A 40 -7.225 -13.231 0.323 1.00 0.00 C ATOM 579 CD PRO A 40 -6.386 -12.364 -0.577 1.00 0.00 C ATOM 0 HA PRO A 40 -9.283 -10.754 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.189 -12.931 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.149 -13.200 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.873 -13.177 1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.166 -14.277 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.425 -12.128 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.175 -12.860 -1.524 1.00 0.00 H new ATOM 587 N LEU A 41 -7.833 -9.310 1.343 1.00 0.00 N ATOM 588 CA LEU A 41 -7.854 -8.484 2.539 1.00 0.00 C ATOM 589 C LEU A 41 -9.156 -7.706 2.609 1.00 0.00 C ATOM 590 O LEU A 41 -9.623 -7.170 1.601 1.00 0.00 O ATOM 591 CB LEU A 41 -6.670 -7.514 2.576 1.00 0.00 C ATOM 592 CG LEU A 41 -5.371 -8.077 3.159 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.761 -9.119 2.238 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.386 -6.952 3.423 1.00 0.00 C ATOM 0 H LEU A 41 -7.325 -8.908 0.555 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.774 -9.146 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.473 -7.171 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.959 -6.639 3.158 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.606 -8.568 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.840 -9.500 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.465 -9.940 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.540 -8.666 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.466 -7.364 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.164 -6.436 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.820 -6.247 4.132 1.00 0.00 H new ATOM 606 N GLN A 42 -9.748 -7.660 3.793 1.00 0.00 N ATOM 607 CA GLN A 42 -10.988 -6.929 3.993 1.00 0.00 C ATOM 608 C GLN A 42 -10.729 -5.433 3.931 1.00 0.00 C ATOM 609 O GLN A 42 -9.741 -4.946 4.484 1.00 0.00 O ATOM 610 CB GLN A 42 -11.612 -7.268 5.347 1.00 0.00 C ATOM 611 CG GLN A 42 -11.901 -8.744 5.551 1.00 0.00 C ATOM 612 CD GLN A 42 -12.542 -9.017 6.898 1.00 0.00 C ATOM 613 OE1 GLN A 42 -13.300 -9.967 7.059 1.00 0.00 O ATOM 614 NE2 GLN A 42 -12.248 -8.176 7.876 1.00 0.00 N ATOM 0 H GLN A 42 -9.389 -8.121 4.629 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.678 -7.220 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.943 -6.928 6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.542 -6.710 5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.560 -9.097 4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.973 -9.310 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.613 -7.397 7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.656 -8.307 8.801 1.00 0.00 H new ATOM 623 N VAL A 43 -11.610 -4.714 3.262 1.00 0.00 N ATOM 624 CA VAL A 43 -11.516 -3.270 3.207 1.00 0.00 C ATOM 625 C VAL A 43 -12.375 -2.677 4.313 1.00 0.00 C ATOM 626 O VAL A 43 -13.567 -2.424 4.127 1.00 0.00 O ATOM 627 CB VAL A 43 -11.962 -2.709 1.839 1.00 0.00 C ATOM 628 CG1 VAL A 43 -11.674 -1.216 1.752 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.278 -3.455 0.702 1.00 0.00 C ATOM 0 H VAL A 43 -12.399 -5.108 2.749 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.471 -2.992 3.344 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.038 -2.856 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.995 -0.839 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.216 -0.694 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.604 -1.044 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.606 -3.044 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.197 -3.344 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.540 -4.512 0.751 1.00 0.00 H new ATOM 639 N LEU A 44 -11.776 -2.503 5.477 1.00 0.00 N ATOM 640 CA LEU A 44 -12.497 -2.033 6.647 1.00 0.00 C ATOM 641 C LEU A 44 -12.687 -0.523 6.581 1.00 0.00 C ATOM 642 O LEU A 44 -11.789 0.246 6.920 1.00 0.00 O ATOM 643 CB LEU A 44 -11.748 -2.431 7.922 1.00 0.00 C ATOM 644 CG LEU A 44 -11.495 -3.933 8.082 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.656 -4.207 9.318 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.812 -4.691 8.156 1.00 0.00 C ATOM 0 H LEU A 44 -10.785 -2.682 5.638 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.482 -2.500 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.789 -1.913 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.316 -2.080 8.784 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.944 -4.281 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.488 -5.280 9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.697 -3.696 9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.180 -3.842 10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.613 -5.757 8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.388 -4.337 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.380 -4.524 7.241 1.00 0.00 H new ATOM 658 N LYS A 45 -13.852 -0.112 6.112 1.00 0.00 N ATOM 659 CA LYS A 45 -14.169 1.300 5.967 1.00 0.00 C ATOM 660 C LYS A 45 -14.835 1.813 7.236 1.00 0.00 C ATOM 661 O LYS A 45 -16.007 1.525 7.488 1.00 0.00 O ATOM 662 CB LYS A 45 -15.091 1.503 4.761 1.00 0.00 C ATOM 663 CG LYS A 45 -14.509 0.961 3.467 1.00 0.00 C ATOM 664 CD LYS A 45 -15.564 0.843 2.379 1.00 0.00 C ATOM 665 CE LYS A 45 -14.994 0.178 1.137 1.00 0.00 C ATOM 666 NZ LYS A 45 -16.050 -0.180 0.156 1.00 0.00 N ATOM 0 H LYS A 45 -14.601 -0.741 5.823 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.249 1.861 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.046 1.015 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.295 2.567 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.707 1.616 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.065 -0.017 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.410 0.265 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.942 1.833 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.275 0.848 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.449 -0.721 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.614 -0.630 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.723 -0.841 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.554 0.680 -0.141 1.00 0.00 H new ATOM 680 N ALA A 46 -14.080 2.538 8.045 1.00 0.00 N ATOM 681 CA ALA A 46 -14.589 3.037 9.313 1.00 0.00 C ATOM 682 C ALA A 46 -14.351 4.534 9.446 1.00 0.00 C ATOM 683 O ALA A 46 -13.876 5.181 8.506 1.00 0.00 O ATOM 684 CB ALA A 46 -13.939 2.289 10.464 1.00 0.00 C ATOM 0 H ALA A 46 -13.113 2.794 7.847 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.665 2.866 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.326 2.669 11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.165 1.226 10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.859 2.435 10.429 1.00 0.00 H new ATOM 690 N CYS A 47 -14.689 5.080 10.607 1.00 0.00 N ATOM 691 CA CYS A 47 -14.539 6.506 10.862 1.00 0.00 C ATOM 692 C CYS A 47 -13.065 6.899 10.941 1.00 0.00 C ATOM 693 O CYS A 47 -12.687 7.997 10.531 1.00 0.00 O ATOM 694 CB CYS A 47 -15.259 6.890 12.157 1.00 0.00 C ATOM 695 SG CYS A 47 -17.011 6.437 12.193 1.00 0.00 S ATOM 0 H CYS A 47 -15.071 4.552 11.392 1.00 0.00 H new ATOM 0 HA CYS A 47 -14.990 7.048 10.030 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -14.754 6.411 12.996 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -15.170 7.966 12.304 1.00 0.00 H new ATOM 0 HG CYS A 47 -17.530 6.801 13.328 1.00 0.00 H new ATOM 701 N GLY A 48 -12.239 6.001 11.474 1.00 0.00 N ATOM 702 CA GLY A 48 -10.814 6.254 11.553 1.00 0.00 C ATOM 703 C GLY A 48 -10.171 6.327 10.183 1.00 0.00 C ATOM 704 O GLY A 48 -9.677 7.382 9.776 1.00 0.00 O ATOM 0 H GLY A 48 -12.535 5.101 11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.641 7.190 12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.338 5.465 12.135 1.00 0.00 H new ATOM 708 N ALA A 49 -10.175 5.208 9.474 1.00 0.00 N ATOM 709 CA ALA A 49 -9.633 5.146 8.126 1.00 0.00 C ATOM 710 C ALA A 49 -10.169 3.922 7.393 1.00 0.00 C ATOM 711 O ALA A 49 -11.051 3.223 7.898 1.00 0.00 O ATOM 712 CB ALA A 49 -8.109 5.112 8.169 1.00 0.00 C ATOM 0 H ALA A 49 -10.551 4.323 9.814 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.947 6.039 7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.717 5.066 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.739 6.012 8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.780 4.234 8.725 1.00 0.00 H new ATOM 718 N VAL A 50 -9.649 3.677 6.199 1.00 0.00 N ATOM 719 CA VAL A 50 -9.986 2.477 5.450 1.00 0.00 C ATOM 720 C VAL A 50 -8.845 1.470 5.548 1.00 0.00 C ATOM 721 O VAL A 50 -7.818 1.597 4.882 1.00 0.00 O ATOM 722 CB VAL A 50 -10.314 2.786 3.970 1.00 0.00 C ATOM 723 CG1 VAL A 50 -11.685 3.434 3.856 1.00 0.00 C ATOM 724 CG2 VAL A 50 -9.257 3.687 3.348 1.00 0.00 C ATOM 0 H VAL A 50 -8.990 4.296 5.727 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.886 2.050 5.892 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.320 1.842 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.902 3.645 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.441 2.757 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.696 4.364 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.515 3.886 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.212 4.627 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.286 3.193 3.393 1.00 0.00 H new ATOM 734 N ASP A 51 -9.020 0.486 6.409 1.00 0.00 N ATOM 735 CA ASP A 51 -7.957 -0.458 6.708 1.00 0.00 C ATOM 736 C ASP A 51 -8.078 -1.713 5.865 1.00 0.00 C ATOM 737 O ASP A 51 -9.102 -2.394 5.893 1.00 0.00 O ATOM 738 CB ASP A 51 -7.970 -0.841 8.191 1.00 0.00 C ATOM 739 CG ASP A 51 -7.743 0.339 9.115 1.00 0.00 C ATOM 740 OD1 ASP A 51 -6.582 0.773 9.258 1.00 0.00 O ATOM 741 OD2 ASP A 51 -8.729 0.822 9.721 1.00 0.00 O ATOM 0 H ASP A 51 -9.889 0.318 6.915 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.014 0.034 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.927 -1.304 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.199 -1.590 8.373 1.00 0.00 H new ATOM 746 N TYR A 52 -7.038 -2.010 5.110 1.00 0.00 N ATOM 747 CA TYR A 52 -6.944 -3.277 4.407 1.00 0.00 C ATOM 748 C TYR A 52 -6.333 -4.284 5.366 1.00 0.00 C ATOM 749 O TYR A 52 -5.118 -4.339 5.544 1.00 0.00 O ATOM 750 CB TYR A 52 -6.117 -3.127 3.128 1.00 0.00 C ATOM 751 CG TYR A 52 -6.636 -2.034 2.218 1.00 0.00 C ATOM 752 CD1 TYR A 52 -6.308 -0.702 2.445 1.00 0.00 C ATOM 753 CD2 TYR A 52 -7.476 -2.329 1.152 1.00 0.00 C ATOM 754 CE1 TYR A 52 -6.801 0.302 1.636 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.966 -1.329 0.333 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.630 -0.016 0.584 1.00 0.00 C ATOM 757 OH TYR A 52 -8.122 0.984 -0.217 1.00 0.00 O ATOM 0 H TYR A 52 -6.242 -1.388 4.967 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.929 -3.622 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.082 -2.911 3.393 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.117 -4.074 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.656 -0.449 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.751 -3.356 0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.538 1.332 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.609 -1.575 -0.499 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.509 1.748 -0.200 1.00 0.00 H new ATOM 767 N PHE A 53 -7.196 -5.050 6.009 1.00 0.00 N ATOM 768 CA PHE A 53 -6.838 -5.745 7.233 1.00 0.00 C ATOM 769 C PHE A 53 -7.529 -7.100 7.301 1.00 0.00 C ATOM 770 O PHE A 53 -8.757 -7.188 7.211 1.00 0.00 O ATOM 771 CB PHE A 53 -7.280 -4.850 8.391 1.00 0.00 C ATOM 772 CG PHE A 53 -6.488 -4.985 9.654 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.312 -4.277 9.820 1.00 0.00 C ATOM 774 CD2 PHE A 53 -6.937 -5.788 10.689 1.00 0.00 C ATOM 775 CE1 PHE A 53 -4.593 -4.365 10.994 1.00 0.00 C ATOM 776 CE2 PHE A 53 -6.220 -5.885 11.863 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.048 -5.174 12.017 1.00 0.00 C ATOM 0 H PHE A 53 -8.156 -5.207 5.702 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.765 -5.934 7.277 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.232 -3.812 8.063 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.325 -5.065 8.614 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.952 -3.647 9.020 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.857 -6.343 10.576 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.678 -3.804 11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.576 -6.518 12.662 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.487 -5.250 12.937 1.00 0.00 H new ATOM 787 N CYS A 54 -6.738 -8.154 7.437 1.00 0.00 N ATOM 788 CA CYS A 54 -7.284 -9.492 7.605 1.00 0.00 C ATOM 789 C CYS A 54 -7.883 -9.628 8.998 1.00 0.00 C ATOM 790 O CYS A 54 -7.194 -10.013 9.927 1.00 0.00 O ATOM 791 CB CYS A 54 -6.192 -10.562 7.441 1.00 0.00 C ATOM 792 SG CYS A 54 -5.282 -10.522 5.876 1.00 0.00 S ATOM 0 H CYS A 54 -5.719 -8.109 7.434 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.047 -9.640 6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.478 -10.455 8.258 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.653 -11.544 7.547 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.393 -11.470 5.867 1.00 0.00 H new ATOM 797 N GLN A 55 -9.147 -9.290 9.167 1.00 0.00 N ATOM 798 CA GLN A 55 -9.776 -9.477 10.467 1.00 0.00 C ATOM 799 C GLN A 55 -10.370 -10.873 10.544 1.00 0.00 C ATOM 800 O GLN A 55 -10.585 -11.419 11.625 1.00 0.00 O ATOM 801 CB GLN A 55 -10.843 -8.417 10.730 1.00 0.00 C ATOM 802 CG GLN A 55 -11.311 -8.396 12.175 1.00 0.00 C ATOM 803 CD GLN A 55 -12.310 -7.296 12.454 1.00 0.00 C ATOM 804 OE1 GLN A 55 -13.091 -6.913 11.581 1.00 0.00 O ATOM 805 NE2 GLN A 55 -12.293 -6.789 13.674 1.00 0.00 N ATOM 0 H GLN A 55 -9.748 -8.895 8.444 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.016 -9.366 11.241 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.446 -7.436 10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.698 -8.600 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.760 -9.358 12.420 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.448 -8.271 12.829 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.627 -7.139 14.363 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.946 -6.047 13.927 1.00 0.00 H new ATOM 814 N ASN A 56 -10.619 -11.448 9.378 1.00 0.00 N ATOM 815 CA ASN A 56 -11.102 -12.813 9.273 1.00 0.00 C ATOM 816 C ASN A 56 -10.324 -13.541 8.192 1.00 0.00 C ATOM 817 O ASN A 56 -9.556 -12.919 7.451 1.00 0.00 O ATOM 818 CB ASN A 56 -12.602 -12.845 8.964 1.00 0.00 C ATOM 819 CG ASN A 56 -13.452 -12.433 10.152 1.00 0.00 C ATOM 820 OD1 ASN A 56 -13.798 -11.260 10.315 1.00 0.00 O ATOM 821 ND2 ASN A 56 -13.795 -13.399 10.989 1.00 0.00 N ATOM 0 H ASN A 56 -10.492 -10.981 8.480 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.950 -13.313 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.811 -12.181 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.883 -13.851 8.652 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.367 -13.186 11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.487 -14.356 10.817 1.00 0.00 H new ATOM 828 N GLY A 57 -10.500 -14.852 8.111 1.00 0.00 N ATOM 829 CA GLY A 57 -9.797 -15.636 7.115 1.00 0.00 C ATOM 830 C GLY A 57 -8.361 -15.919 7.511 1.00 0.00 C ATOM 831 O GLY A 57 -8.004 -17.058 7.805 1.00 0.00 O ATOM 0 H GLY A 57 -11.119 -15.388 8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.322 -16.579 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.811 -15.106 6.163 1.00 0.00 H new ATOM 835 N HIS A 58 -7.535 -14.880 7.529 1.00 0.00 N ATOM 836 CA HIS A 58 -6.135 -15.028 7.903 1.00 0.00 C ATOM 837 C HIS A 58 -5.947 -14.707 9.385 1.00 0.00 C ATOM 838 O HIS A 58 -5.799 -15.606 10.210 1.00 0.00 O ATOM 839 CB HIS A 58 -5.235 -14.123 7.036 1.00 0.00 C ATOM 840 CG HIS A 58 -3.759 -14.282 7.303 1.00 0.00 C ATOM 841 ND1 HIS A 58 -2.774 -13.568 6.629 1.00 0.00 N ATOM 842 CD2 HIS A 58 -3.102 -15.074 8.187 1.00 0.00 C ATOM 843 CE1 HIS A 58 -1.586 -13.928 7.110 1.00 0.00 C ATOM 844 NE2 HIS A 58 -1.760 -14.834 8.046 1.00 0.00 N ATOM 0 H HIS A 58 -7.810 -13.928 7.289 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.841 -16.063 7.729 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.428 -14.338 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -5.514 -13.083 7.205 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -2.935 -12.883 5.890 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.555 -15.769 8.878 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.633 -13.538 6.784 1.00 0.00 H new ATOM 852 N GLY A 59 -5.965 -13.426 9.713 1.00 0.00 N ATOM 853 CA GLY A 59 -5.696 -12.996 11.069 1.00 0.00 C ATOM 854 C GLY A 59 -5.151 -11.591 11.081 1.00 0.00 C ATOM 855 O GLY A 59 -4.424 -11.208 10.165 1.00 0.00 O ATOM 0 H GLY A 59 -6.163 -12.669 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.611 -13.042 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.981 -13.673 11.536 1.00 0.00 H new ATOM 859 N LEU A 60 -5.517 -10.822 12.096 1.00 0.00 N ATOM 860 CA LEU A 60 -5.160 -9.409 12.162 1.00 0.00 C ATOM 861 C LEU A 60 -3.646 -9.215 12.195 1.00 0.00 C ATOM 862 O LEU A 60 -2.982 -9.492 13.196 1.00 0.00 O ATOM 863 CB LEU A 60 -5.822 -8.727 13.377 1.00 0.00 C ATOM 864 CG LEU A 60 -5.453 -9.272 14.767 1.00 0.00 C ATOM 865 CD1 LEU A 60 -5.812 -8.255 15.839 1.00 0.00 C ATOM 866 CD2 LEU A 60 -6.167 -10.586 15.051 1.00 0.00 C ATOM 0 H LEU A 60 -6.064 -11.154 12.890 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.537 -8.935 11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.570 -7.667 13.350 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.903 -8.800 13.260 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.378 -9.454 14.781 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.547 -8.651 16.819 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.264 -7.330 15.661 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.883 -8.055 15.806 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.886 -10.946 16.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.245 -10.430 15.014 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.882 -11.324 14.302 1.00 0.00 H new ATOM 878 N ILE A 61 -3.110 -8.758 11.077 1.00 0.00 N ATOM 879 CA ILE A 61 -1.694 -8.459 10.970 1.00 0.00 C ATOM 880 C ILE A 61 -1.442 -7.046 11.479 1.00 0.00 C ATOM 881 O ILE A 61 -2.162 -6.122 11.108 1.00 0.00 O ATOM 882 CB ILE A 61 -1.202 -8.572 9.506 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.585 -9.930 8.903 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.305 -8.363 9.426 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.976 -11.119 9.620 1.00 0.00 C ATOM 0 H ILE A 61 -3.640 -8.585 10.223 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.144 -9.184 11.570 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.691 -7.789 8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.670 -10.028 8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.276 -9.952 7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.629 -8.447 8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.556 -7.373 9.806 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.810 -9.120 10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.295 -12.040 9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.111 -11.048 9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.305 -11.125 10.659 1.00 0.00 H new ATOM 897 N SER A 62 -0.447 -6.885 12.342 1.00 0.00 N ATOM 898 CA SER A 62 -0.108 -5.571 12.879 1.00 0.00 C ATOM 899 C SER A 62 0.137 -4.577 11.747 1.00 0.00 C ATOM 900 O SER A 62 0.701 -4.931 10.711 1.00 0.00 O ATOM 901 CB SER A 62 1.131 -5.664 13.774 1.00 0.00 C ATOM 902 OG SER A 62 1.510 -4.388 14.266 1.00 0.00 O ATOM 0 H SER A 62 0.139 -7.646 12.685 1.00 0.00 H new ATOM 0 HA SER A 62 -0.948 -5.218 13.477 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.928 -6.333 14.610 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.957 -6.099 13.211 1.00 0.00 H new ATOM 0 HG SER A 62 2.302 -4.479 14.835 1.00 0.00 H new ATOM 908 N LYS A 63 -0.274 -3.330 11.954 1.00 0.00 N ATOM 909 CA LYS A 63 -0.117 -2.296 10.934 1.00 0.00 C ATOM 910 C LYS A 63 1.351 -1.916 10.772 1.00 0.00 C ATOM 911 O LYS A 63 1.713 -1.132 9.898 1.00 0.00 O ATOM 912 CB LYS A 63 -0.958 -1.064 11.274 1.00 0.00 C ATOM 913 CG LYS A 63 -2.443 -1.363 11.372 1.00 0.00 C ATOM 914 CD LYS A 63 -3.274 -0.093 11.466 1.00 0.00 C ATOM 915 CE LYS A 63 -4.736 -0.414 11.723 1.00 0.00 C ATOM 916 NZ LYS A 63 -5.600 0.795 11.669 1.00 0.00 N ATOM 0 H LYS A 63 -0.717 -3.010 12.815 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.473 -2.700 9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.614 -0.647 12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.797 -0.301 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.756 -1.937 10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.631 -1.985 12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.891 0.538 12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.181 0.476 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.082 -1.137 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.835 -0.885 12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.519 0.585 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.141 1.573 12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.745 1.074 10.678 1.00 0.00 H new ATOM 930 N LYS A 64 2.189 -2.481 11.628 1.00 0.00 N ATOM 931 CA LYS A 64 3.627 -2.318 11.516 1.00 0.00 C ATOM 932 C LYS A 64 4.208 -3.429 10.648 1.00 0.00 C ATOM 933 O LYS A 64 5.326 -3.325 10.146 1.00 0.00 O ATOM 934 CB LYS A 64 4.265 -2.354 12.904 1.00 0.00 C ATOM 935 CG LYS A 64 3.779 -1.247 13.827 1.00 0.00 C ATOM 936 CD LYS A 64 4.365 0.104 13.447 1.00 0.00 C ATOM 937 CE LYS A 64 5.875 0.127 13.631 1.00 0.00 C ATOM 938 NZ LYS A 64 6.268 -0.239 15.019 1.00 0.00 N ATOM 0 H LYS A 64 1.893 -3.061 12.413 1.00 0.00 H new ATOM 0 HA LYS A 64 3.841 -1.355 11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.056 -3.319 13.366 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.347 -2.279 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.691 -1.195 13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.052 -1.485 14.855 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.120 0.329 12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.911 0.884 14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.338 -0.565 12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.255 1.121 13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.255 0.044 15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.648 0.250 15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.176 -1.267 15.146 1.00 0.00 H new ATOM 952 N ARG A 65 3.426 -4.489 10.467 1.00 0.00 N ATOM 953 CA ARG A 65 3.870 -5.653 9.711 1.00 0.00 C ATOM 954 C ARG A 65 3.206 -5.730 8.342 1.00 0.00 C ATOM 955 O ARG A 65 3.712 -6.406 7.447 1.00 0.00 O ATOM 956 CB ARG A 65 3.604 -6.938 10.495 1.00 0.00 C ATOM 957 CG ARG A 65 4.743 -7.327 11.422 1.00 0.00 C ATOM 958 CD ARG A 65 6.036 -7.522 10.642 1.00 0.00 C ATOM 959 NE ARG A 65 5.861 -8.443 9.517 1.00 0.00 N ATOM 960 CZ ARG A 65 6.498 -8.329 8.348 1.00 0.00 C ATOM 961 NH1 ARG A 65 7.453 -7.418 8.191 1.00 0.00 N ATOM 962 NH2 ARG A 65 6.203 -9.155 7.352 1.00 0.00 N ATOM 0 H ARG A 65 2.478 -4.565 10.836 1.00 0.00 H new ATOM 0 HA ARG A 65 4.943 -5.545 9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.694 -6.815 11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.423 -7.752 9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.882 -6.554 12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.490 -8.246 11.950 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.385 -6.558 10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.808 -7.906 11.309 1.00 0.00 H new ATOM 0 HE ARG A 65 5.212 -9.221 9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.702 -6.802 8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.936 -7.335 7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.492 -9.875 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.688 -9.070 6.459 1.00 0.00 H new ATOM 976 N VAL A 66 2.069 -5.065 8.180 1.00 0.00 N ATOM 977 CA VAL A 66 1.424 -4.999 6.876 1.00 0.00 C ATOM 978 C VAL A 66 2.305 -4.223 5.906 1.00 0.00 C ATOM 979 O VAL A 66 2.927 -3.224 6.277 1.00 0.00 O ATOM 980 CB VAL A 66 0.025 -4.349 6.933 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.932 -5.199 7.749 1.00 0.00 C ATOM 982 CG2 VAL A 66 0.100 -2.942 7.499 1.00 0.00 C ATOM 0 H VAL A 66 1.580 -4.570 8.925 1.00 0.00 H new ATOM 0 HA VAL A 66 1.291 -6.025 6.534 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.355 -4.285 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.911 -4.721 7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.022 -6.185 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.551 -5.302 8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.899 -2.508 7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.510 -2.977 8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.744 -2.330 6.867 1.00 0.00 H new ATOM 992 N ASN A 67 2.376 -4.686 4.674 1.00 0.00 N ATOM 993 CA ASN A 67 3.278 -4.087 3.710 1.00 0.00 C ATOM 994 C ASN A 67 2.581 -3.009 2.901 1.00 0.00 C ATOM 995 O ASN A 67 1.918 -3.294 1.904 1.00 0.00 O ATOM 996 CB ASN A 67 3.876 -5.151 2.783 1.00 0.00 C ATOM 997 CG ASN A 67 4.817 -6.091 3.516 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.449 -5.713 4.502 1.00 0.00 O ATOM 999 ND2 ASN A 67 4.935 -7.317 3.030 1.00 0.00 N ATOM 0 H ASN A 67 1.826 -5.468 4.319 1.00 0.00 H new ATOM 0 HA ASN A 67 4.091 -3.620 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.071 -5.728 2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.414 -4.662 1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.566 -7.983 3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.395 -7.595 2.211 1.00 0.00 H new ATOM 1006 N PHE A 68 2.699 -1.770 3.367 1.00 0.00 N ATOM 1007 CA PHE A 68 2.249 -0.622 2.595 1.00 0.00 C ATOM 1008 C PHE A 68 3.234 -0.363 1.467 1.00 0.00 C ATOM 1009 O PHE A 68 4.277 0.260 1.669 1.00 0.00 O ATOM 1010 CB PHE A 68 2.130 0.628 3.474 1.00 0.00 C ATOM 1011 CG PHE A 68 0.875 0.698 4.299 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.811 0.109 5.553 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -0.236 1.371 3.822 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.344 0.192 6.311 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -1.389 1.459 4.576 1.00 0.00 C ATOM 1016 CZ PHE A 68 -1.444 0.869 5.823 1.00 0.00 C ATOM 0 H PHE A 68 3.102 -1.537 4.275 1.00 0.00 H new ATOM 0 HA PHE A 68 1.262 -0.843 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.990 0.669 4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.179 1.510 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.670 -0.419 5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.201 1.834 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.385 -0.273 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.247 1.989 4.191 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.345 0.937 6.415 1.00 0.00 H new ATOM 1026 N VAL A 69 2.914 -0.862 0.289 1.00 0.00 N ATOM 1027 CA VAL A 69 3.810 -0.749 -0.846 1.00 0.00 C ATOM 1028 C VAL A 69 3.089 -0.183 -2.058 1.00 0.00 C ATOM 1029 O VAL A 69 1.856 -0.155 -2.107 1.00 0.00 O ATOM 1030 CB VAL A 69 4.431 -2.115 -1.222 1.00 0.00 C ATOM 1031 CG1 VAL A 69 5.306 -2.641 -0.094 1.00 0.00 C ATOM 1032 CG2 VAL A 69 3.346 -3.124 -1.572 1.00 0.00 C ATOM 0 H VAL A 69 2.040 -1.350 0.093 1.00 0.00 H new ATOM 0 HA VAL A 69 4.608 -0.069 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 69 5.059 -1.969 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.732 -3.602 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.111 -1.932 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.704 -2.766 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.806 -4.077 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.687 -3.262 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.767 -2.756 -2.419 1.00 0.00 H new ATOM 1042 N ILE A 70 3.865 0.275 -3.027 1.00 0.00 N ATOM 1043 CA ILE A 70 3.312 0.758 -4.275 1.00 0.00 C ATOM 1044 C ILE A 70 3.102 -0.418 -5.221 1.00 0.00 C ATOM 1045 O ILE A 70 3.942 -0.709 -6.076 1.00 0.00 O ATOM 1046 CB ILE A 70 4.227 1.812 -4.943 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.590 2.913 -3.939 1.00 0.00 C ATOM 1048 CG2 ILE A 70 3.543 2.413 -6.166 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.590 3.919 -4.472 1.00 0.00 C ATOM 0 H ILE A 70 4.882 0.321 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 70 2.360 1.242 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 70 5.144 1.320 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.681 3.438 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.997 2.452 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.200 3.152 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.327 1.624 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.612 2.893 -5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.798 4.666 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.514 3.407 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.178 4.409 -5.355 1.00 0.00 H new ATOM 1061 N SER A 71 2.007 -1.131 -5.010 1.00 0.00 N ATOM 1062 CA SER A 71 1.667 -2.275 -5.838 1.00 0.00 C ATOM 1063 C SER A 71 0.872 -1.830 -7.056 1.00 0.00 C ATOM 1064 O SER A 71 0.808 -2.533 -8.065 1.00 0.00 O ATOM 1065 CB SER A 71 0.870 -3.283 -5.012 1.00 0.00 C ATOM 1066 OG SER A 71 -0.133 -2.627 -4.252 1.00 0.00 O ATOM 0 H SER A 71 1.336 -0.935 -4.268 1.00 0.00 H new ATOM 0 HA SER A 71 2.583 -2.750 -6.188 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.410 -4.019 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.541 -3.826 -4.346 1.00 0.00 H new ATOM 0 HG SER A 71 -0.733 -3.294 -3.858 1.00 0.00 H new