USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 806 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 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Set 1.2: A 94 SER OG : rot -35:sc= 0.343 USER MOD Set 2.1: A 40 GLN : amide:sc= -0.843! C(o=-0.31!,f=-4.1!) USER MOD Set 2.2: A 50 TYR OH : rot -147:sc= 0.534 USER MOD Set 3.1: A 7 MET CE :methyl -122:sc= -1.35 (180deg=-1.92!) USER MOD Set 3.2: A 10 SER OG : rot 180:sc= -0.175 USER MOD Single : A 4 LYS NZ :NH3+ 145:sc= 0.72 (180deg=0.0783) USER MOD Single : A 5 SER OG : rot -120:sc= 0.706 USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= 0.404 (180deg=0.135) USER MOD Single : A 48 ASN : amide:sc= -2.25 K(o=-2.3,f=-4.2!) USER MOD Single : A 72 THR OG1 : rot -36:sc= -0.862 USER MOD Single : A 103 THR OG1 : rot 110:sc= -0.264 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc=-0.00194 X(o=-0.0019,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.514 -0.822 -1.700 1.00 0.00 N ATOM 19 CA ARG A 2 2.558 -2.067 -2.517 1.00 0.00 C ATOM 20 C ARG A 2 3.891 -2.802 -2.294 1.00 0.00 C ATOM 21 O ARG A 2 4.881 -2.554 -2.995 1.00 0.00 O ATOM 22 CB ARG A 2 2.349 -1.804 -4.038 1.00 0.00 C ATOM 23 CG ARG A 2 1.198 -0.845 -4.404 1.00 0.00 C ATOM 24 CD ARG A 2 1.102 -0.622 -5.926 1.00 0.00 C ATOM 25 NE ARG A 2 2.404 -0.241 -6.517 1.00 0.00 N ATOM 26 CZ ARG A 2 2.583 0.523 -7.599 1.00 0.00 C ATOM 27 NH1 ARG A 2 1.561 1.127 -8.189 1.00 0.00 N ATOM 28 NH2 ARG A 2 3.805 0.687 -8.073 1.00 0.00 N ATOM 0 HA ARG A 2 1.728 -2.689 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.275 -1.402 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.171 -2.760 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.256 -1.251 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.350 0.112 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.741 -1.533 -6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.369 0.158 -6.132 1.00 0.00 H new ATOM 0 HE ARG A 2 3.243 -0.594 -6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.618 1.013 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.718 1.706 -9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.595 0.234 -7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.958 1.267 -8.898 1.00 0.00 H new ATOM 42 N LEU A 3 3.928 -3.665 -1.284 1.00 0.00 N ATOM 43 CA LEU A 3 5.163 -4.350 -0.863 1.00 0.00 C ATOM 44 C LEU A 3 4.981 -5.870 -0.992 1.00 0.00 C ATOM 45 O LEU A 3 3.858 -6.359 -1.196 1.00 0.00 O ATOM 46 CB LEU A 3 5.549 -3.945 0.609 1.00 0.00 C ATOM 47 CG LEU A 3 5.147 -2.485 1.079 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.688 -2.430 1.590 1.00 0.00 C ATOM 49 CD2 LEU A 3 6.118 -1.914 2.134 1.00 0.00 C ATOM 0 H LEU A 3 3.109 -3.915 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 3 5.982 -4.042 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.087 -4.660 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.628 -4.052 0.719 1.00 0.00 H new ATOM 0 HG LEU A 3 5.221 -1.851 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.450 -1.413 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.011 -2.731 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.573 -3.106 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.796 -0.913 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.121 -2.559 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.123 -1.866 1.715 1.00 0.00 H new ATOM 61 N LYS A 4 6.101 -6.611 -0.878 1.00 0.00 N ATOM 62 CA LYS A 4 6.076 -8.088 -0.822 1.00 0.00 C ATOM 63 C LYS A 4 5.513 -8.530 0.551 1.00 0.00 C ATOM 64 O LYS A 4 5.353 -7.691 1.423 1.00 0.00 O ATOM 65 CB LYS A 4 7.507 -8.666 -1.070 1.00 0.00 C ATOM 66 CG LYS A 4 8.462 -8.666 0.155 1.00 0.00 C ATOM 67 CD LYS A 4 9.813 -9.389 -0.123 1.00 0.00 C ATOM 68 CE LYS A 4 10.877 -8.493 -0.769 1.00 0.00 C ATOM 69 NZ LYS A 4 11.424 -7.513 0.200 1.00 0.00 N ATOM 0 H LYS A 4 7.037 -6.210 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 4 5.429 -8.479 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.407 -9.691 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.975 -8.093 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.662 -7.637 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.965 -9.149 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.204 -9.781 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.629 -10.244 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.686 -9.111 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.442 -7.964 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.433 -7.356 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.910 -6.613 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.313 -7.881 1.166 1.00 0.00 H new ATOM 83 N SER A 5 5.253 -9.838 0.741 1.00 0.00 N ATOM 84 CA SER A 5 4.662 -10.381 1.998 1.00 0.00 C ATOM 85 C SER A 5 5.482 -9.976 3.249 1.00 0.00 C ATOM 86 O SER A 5 4.937 -9.456 4.221 1.00 0.00 O ATOM 87 CB SER A 5 4.587 -11.915 1.910 1.00 0.00 C ATOM 88 OG SER A 5 4.039 -12.314 0.674 1.00 0.00 O ATOM 0 H SER A 5 5.442 -10.551 0.037 1.00 0.00 H new ATOM 0 HA SER A 5 3.663 -9.957 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.584 -12.341 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.977 -12.302 2.726 1.00 0.00 H new ATOM 0 HG SER A 5 3.226 -12.839 0.831 1.00 0.00 H new ATOM 94 N GLU A 6 6.804 -10.193 3.150 1.00 0.00 N ATOM 95 CA GLU A 6 7.796 -9.866 4.192 1.00 0.00 C ATOM 96 C GLU A 6 7.767 -8.372 4.549 1.00 0.00 C ATOM 97 O GLU A 6 7.565 -7.994 5.713 1.00 0.00 O ATOM 98 CB GLU A 6 9.203 -10.328 3.678 1.00 0.00 C ATOM 99 CG GLU A 6 10.446 -9.945 4.528 1.00 0.00 C ATOM 100 CD GLU A 6 10.991 -8.526 4.243 1.00 0.00 C ATOM 101 OE1 GLU A 6 11.300 -8.230 3.070 1.00 0.00 O ATOM 102 OE2 GLU A 6 11.086 -7.702 5.180 1.00 0.00 O ATOM 0 H GLU A 6 7.225 -10.612 2.321 1.00 0.00 H new ATOM 0 HA GLU A 6 7.558 -10.392 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.185 -11.414 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.344 -9.922 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.187 -10.018 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.238 -10.671 4.343 1.00 0.00 H new ATOM 109 N MET A 7 7.935 -7.546 3.511 1.00 0.00 N ATOM 110 CA MET A 7 8.073 -6.090 3.646 1.00 0.00 C ATOM 111 C MET A 7 6.720 -5.446 4.020 1.00 0.00 C ATOM 112 O MET A 7 6.691 -4.374 4.629 1.00 0.00 O ATOM 113 CB MET A 7 8.647 -5.509 2.328 1.00 0.00 C ATOM 114 CG MET A 7 9.014 -4.010 2.345 1.00 0.00 C ATOM 115 SD MET A 7 10.376 -3.585 3.460 1.00 0.00 S ATOM 116 CE MET A 7 9.553 -2.954 4.931 1.00 0.00 C ATOM 0 H MET A 7 7.980 -7.871 2.545 1.00 0.00 H new ATOM 0 HA MET A 7 8.766 -5.859 4.455 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.539 -6.077 2.064 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.918 -5.674 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.279 -3.702 1.334 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.133 -3.436 2.632 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.892 -1.937 5.130 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.475 -2.952 4.772 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.793 -3.590 5.783 1.00 0.00 H new ATOM 126 N PHE A 8 5.602 -6.127 3.685 1.00 0.00 N ATOM 127 CA PHE A 8 4.254 -5.653 4.038 1.00 0.00 C ATOM 128 C PHE A 8 4.038 -5.805 5.542 1.00 0.00 C ATOM 129 O PHE A 8 3.531 -4.888 6.179 1.00 0.00 O ATOM 130 CB PHE A 8 3.119 -6.399 3.267 1.00 0.00 C ATOM 131 CG PHE A 8 1.718 -5.877 3.631 1.00 0.00 C ATOM 132 CD1 PHE A 8 1.182 -4.760 2.991 1.00 0.00 C ATOM 133 CD2 PHE A 8 0.967 -6.466 4.654 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.051 -4.256 3.359 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.262 -5.958 5.013 1.00 0.00 C ATOM 136 CZ PHE A 8 -0.773 -4.854 4.365 1.00 0.00 C ATOM 0 H PHE A 8 5.611 -7.007 3.170 1.00 0.00 H new ATOM 0 HA PHE A 8 4.198 -4.605 3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.278 -6.286 2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.175 -7.465 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.738 -4.283 2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.356 -7.331 5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.449 -3.388 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.827 -6.426 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.738 -4.460 4.647 1.00 0.00 H new ATOM 146 N VAL A 9 4.412 -6.983 6.086 1.00 0.00 N ATOM 147 CA VAL A 9 4.305 -7.269 7.530 1.00 0.00 C ATOM 148 C VAL A 9 5.162 -6.276 8.325 1.00 0.00 C ATOM 149 O VAL A 9 4.688 -5.659 9.279 1.00 0.00 O ATOM 150 CB VAL A 9 4.730 -8.747 7.882 1.00 0.00 C ATOM 151 CG1 VAL A 9 4.758 -8.972 9.399 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.802 -9.768 7.194 1.00 0.00 C ATOM 0 H VAL A 9 4.793 -7.756 5.540 1.00 0.00 H new ATOM 0 HA VAL A 9 3.256 -7.158 7.806 1.00 0.00 H new ATOM 0 HB VAL A 9 5.741 -8.899 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.054 -10.000 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.473 -8.288 9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.766 -8.789 9.812 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.117 -10.779 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.777 -9.611 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.855 -9.638 6.113 1.00 0.00 H new ATOM 162 N SER A 10 6.406 -6.102 7.862 1.00 0.00 N ATOM 163 CA SER A 10 7.380 -5.189 8.468 1.00 0.00 C ATOM 164 C SER A 10 6.856 -3.729 8.475 1.00 0.00 C ATOM 165 O SER A 10 7.052 -3.004 9.454 1.00 0.00 O ATOM 166 CB SER A 10 8.719 -5.303 7.710 1.00 0.00 C ATOM 167 OG SER A 10 9.715 -4.496 8.297 1.00 0.00 O ATOM 0 H SER A 10 6.767 -6.597 7.047 1.00 0.00 H new ATOM 0 HA SER A 10 7.535 -5.472 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.048 -6.342 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.576 -5.008 6.670 1.00 0.00 H new ATOM 0 HG SER A 10 10.551 -4.591 7.795 1.00 0.00 H new ATOM 173 N ALA A 11 6.155 -3.337 7.393 1.00 0.00 N ATOM 174 CA ALA A 11 5.527 -1.999 7.270 1.00 0.00 C ATOM 175 C ALA A 11 4.263 -1.892 8.149 1.00 0.00 C ATOM 176 O ALA A 11 4.007 -0.845 8.740 1.00 0.00 O ATOM 177 CB ALA A 11 5.181 -1.705 5.801 1.00 0.00 C ATOM 0 H ALA A 11 6.006 -3.934 6.580 1.00 0.00 H new ATOM 0 HA ALA A 11 6.245 -1.257 7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.721 -0.720 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.091 -1.727 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.486 -2.459 5.433 1.00 0.00 H new ATOM 183 N LEU A 12 3.509 -3.003 8.234 1.00 0.00 N ATOM 184 CA LEU A 12 2.247 -3.116 9.009 1.00 0.00 C ATOM 185 C LEU A 12 2.494 -2.858 10.501 1.00 0.00 C ATOM 186 O LEU A 12 1.697 -2.204 11.183 1.00 0.00 O ATOM 187 CB LEU A 12 1.634 -4.528 8.778 1.00 0.00 C ATOM 188 CG LEU A 12 0.471 -4.983 9.719 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.745 -4.051 9.633 1.00 0.00 C ATOM 190 CD2 LEU A 12 0.081 -6.445 9.429 1.00 0.00 C ATOM 0 H LEU A 12 3.760 -3.869 7.758 1.00 0.00 H new ATOM 0 HA LEU A 12 1.543 -2.359 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.270 -4.571 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.438 -5.259 8.862 1.00 0.00 H new ATOM 0 HG LEU A 12 0.837 -4.922 10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.526 -4.409 10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.451 -3.042 9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.123 -4.039 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.730 -6.744 10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.246 -6.536 8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.943 -7.091 9.595 1.00 0.00 H new ATOM 202 N ILE A 13 3.627 -3.358 10.967 1.00 0.00 N ATOM 203 CA ILE A 13 4.087 -3.193 12.343 1.00 0.00 C ATOM 204 C ILE A 13 4.396 -1.705 12.639 1.00 0.00 C ATOM 205 O ILE A 13 4.086 -1.208 13.718 1.00 0.00 O ATOM 206 CB ILE A 13 5.315 -4.148 12.566 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.826 -5.639 12.419 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.016 -3.905 13.924 1.00 0.00 C ATOM 209 CD1 ILE A 13 5.902 -6.671 12.308 1.00 0.00 C ATOM 0 H ILE A 13 4.268 -3.902 10.390 1.00 0.00 H new ATOM 0 HA ILE A 13 3.310 -3.474 13.054 1.00 0.00 H new ATOM 0 HB ILE A 13 6.069 -3.934 11.808 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.203 -5.883 13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.191 -5.707 11.536 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.857 -4.591 14.027 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.378 -2.878 13.968 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.308 -4.075 14.735 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.451 -7.658 12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.515 -6.465 11.430 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.526 -6.643 13.201 1.00 0.00 H new ATOM 221 N ARG A 14 4.921 -0.980 11.636 1.00 0.00 N ATOM 222 CA ARG A 14 5.158 0.485 11.747 1.00 0.00 C ATOM 223 C ARG A 14 3.820 1.253 11.722 1.00 0.00 C ATOM 224 O ARG A 14 3.691 2.294 12.377 1.00 0.00 O ATOM 225 CB ARG A 14 6.111 1.001 10.618 1.00 0.00 C ATOM 226 CG ARG A 14 7.625 0.858 10.926 1.00 0.00 C ATOM 227 CD ARG A 14 8.066 -0.590 11.180 1.00 0.00 C ATOM 228 NE ARG A 14 9.482 -0.685 11.579 1.00 0.00 N ATOM 229 CZ ARG A 14 10.339 -1.636 11.181 1.00 0.00 C ATOM 230 NH1 ARG A 14 9.972 -2.553 10.298 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.573 -1.650 11.658 1.00 0.00 N ATOM 0 H ARG A 14 5.192 -1.377 10.736 1.00 0.00 H new ATOM 0 HA ARG A 14 5.649 0.670 12.702 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.889 0.458 9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.891 2.052 10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.197 1.262 10.091 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.868 1.462 11.800 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.442 -1.025 11.960 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.905 -1.179 10.277 1.00 0.00 H new ATOM 0 HE ARG A 14 9.839 0.032 12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.028 -2.541 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.634 -3.271 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.870 -0.939 12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.228 -2.372 11.357 1.00 0.00 H new ATOM 245 N ARG A 15 2.832 0.712 10.973 1.00 0.00 N ATOM 246 CA ARG A 15 1.482 1.306 10.855 1.00 0.00 C ATOM 247 C ARG A 15 0.770 1.310 12.218 1.00 0.00 C ATOM 248 O ARG A 15 0.138 2.309 12.592 1.00 0.00 O ATOM 249 CB ARG A 15 0.609 0.538 9.817 1.00 0.00 C ATOM 250 CG ARG A 15 1.154 0.555 8.374 1.00 0.00 C ATOM 251 CD ARG A 15 0.300 -0.266 7.380 1.00 0.00 C ATOM 252 NE ARG A 15 0.966 -0.363 6.065 1.00 0.00 N ATOM 253 CZ ARG A 15 0.395 -0.749 4.914 1.00 0.00 C ATOM 254 NH1 ARG A 15 -0.884 -1.103 4.854 1.00 0.00 N ATOM 255 NH2 ARG A 15 1.121 -0.768 3.810 1.00 0.00 N ATOM 0 H ARG A 15 2.948 -0.147 10.435 1.00 0.00 H new ATOM 0 HA ARG A 15 1.609 2.332 10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.511 -0.498 10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.393 0.968 9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.208 1.587 8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.172 0.165 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.130 -1.266 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.678 0.201 7.263 1.00 0.00 H new ATOM 0 HE ARG A 15 1.954 -0.113 6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.458 -1.085 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.292 -1.392 3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.102 -0.491 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.700 -1.059 2.928 1.00 0.00 H new ATOM 269 N VAL A 16 0.886 0.190 12.960 1.00 0.00 N ATOM 270 CA VAL A 16 0.197 0.039 14.250 1.00 0.00 C ATOM 271 C VAL A 16 0.872 0.896 15.343 1.00 0.00 C ATOM 272 O VAL A 16 0.175 1.569 16.091 1.00 0.00 O ATOM 273 CB VAL A 16 0.067 -1.461 14.723 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.525 -2.365 13.615 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.397 -2.024 15.226 1.00 0.00 C ATOM 0 H VAL A 16 1.448 -0.617 12.687 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.819 0.400 14.089 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.629 -1.459 15.562 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.598 -3.389 13.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.517 -2.005 13.344 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.123 -2.338 12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.259 -3.058 15.541 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.135 -1.984 14.425 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.747 -1.431 16.071 1.00 0.00 H new ATOM 285 N PHE A 17 2.231 0.893 15.398 1.00 0.00 N ATOM 286 CA PHE A 17 2.997 1.645 16.420 1.00 0.00 C ATOM 287 C PHE A 17 2.793 3.161 16.252 1.00 0.00 C ATOM 288 O PHE A 17 2.697 3.893 17.245 1.00 0.00 O ATOM 289 CB PHE A 17 4.515 1.259 16.400 1.00 0.00 C ATOM 290 CG PHE A 17 4.857 -0.006 17.206 1.00 0.00 C ATOM 291 CD1 PHE A 17 4.948 0.044 18.597 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.082 -1.233 16.588 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.255 -1.085 19.332 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.390 -2.362 17.323 1.00 0.00 C ATOM 295 CZ PHE A 17 5.475 -2.287 18.695 1.00 0.00 C ATOM 0 H PHE A 17 2.817 0.375 14.743 1.00 0.00 H new ATOM 0 HA PHE A 17 2.611 1.366 17.400 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.827 1.112 15.366 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.095 2.094 16.793 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.776 0.980 19.108 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.014 -1.304 15.512 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.323 -1.025 20.408 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.564 -3.303 16.821 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.714 -3.169 19.271 1.00 0.00 H new ATOM 305 N ALA A 18 2.679 3.608 14.992 1.00 0.00 N ATOM 306 CA ALA A 18 2.384 5.015 14.657 1.00 0.00 C ATOM 307 C ALA A 18 0.931 5.398 15.030 1.00 0.00 C ATOM 308 O ALA A 18 0.622 6.577 15.227 1.00 0.00 O ATOM 309 CB ALA A 18 2.656 5.258 13.168 1.00 0.00 C ATOM 0 H ALA A 18 2.788 3.007 14.175 1.00 0.00 H new ATOM 0 HA ALA A 18 3.041 5.655 15.246 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.437 6.297 12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.703 5.046 12.950 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.021 4.603 12.571 1.00 0.00 H new ATOM 315 N ALA A 19 0.047 4.390 15.114 1.00 0.00 N ATOM 316 CA ALA A 19 -1.354 4.569 15.550 1.00 0.00 C ATOM 317 C ALA A 19 -1.492 4.474 17.090 1.00 0.00 C ATOM 318 O ALA A 19 -2.520 4.876 17.651 1.00 0.00 O ATOM 319 CB ALA A 19 -2.248 3.534 14.849 1.00 0.00 C ATOM 0 H ALA A 19 0.281 3.425 14.882 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.678 5.570 15.266 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.281 3.667 15.172 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.185 3.670 13.769 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.914 2.529 15.108 1.00 0.00 H new ATOM 325 N GLY A 20 -0.443 3.956 17.767 1.00 0.00 N ATOM 326 CA GLY A 20 -0.427 3.825 19.236 1.00 0.00 C ATOM 327 C GLY A 20 -0.679 2.397 19.708 1.00 0.00 C ATOM 328 O GLY A 20 -1.108 2.178 20.847 1.00 0.00 O ATOM 0 H GLY A 20 0.407 3.621 17.313 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.538 4.163 19.615 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.185 4.482 19.662 1.00 0.00 H new ATOM 332 N GLY A 21 -0.362 1.432 18.837 1.00 0.00 N ATOM 333 CA GLY A 21 -0.591 0.005 19.082 1.00 0.00 C ATOM 334 C GLY A 21 0.697 -0.814 19.046 1.00 0.00 C ATOM 335 O GLY A 21 1.778 -0.274 18.818 1.00 0.00 O ATOM 0 H GLY A 21 0.066 1.623 17.931 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.069 -0.120 20.053 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.283 -0.381 18.334 1.00 0.00 H new ATOM 339 N PHE A 22 0.569 -2.130 19.246 1.00 0.00 N ATOM 340 CA PHE A 22 1.711 -3.073 19.330 1.00 0.00 C ATOM 341 C PHE A 22 1.680 -4.028 18.123 1.00 0.00 C ATOM 342 O PHE A 22 0.634 -4.177 17.499 1.00 0.00 O ATOM 343 CB PHE A 22 1.628 -3.864 20.671 1.00 0.00 C ATOM 344 CG PHE A 22 2.696 -4.950 20.839 1.00 0.00 C ATOM 345 CD1 PHE A 22 4.014 -4.614 21.147 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.386 -6.302 20.657 1.00 0.00 C ATOM 347 CE1 PHE A 22 4.982 -5.589 21.275 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.357 -7.274 20.785 1.00 0.00 C ATOM 349 CZ PHE A 22 4.653 -6.919 21.093 1.00 0.00 C ATOM 0 H PHE A 22 -0.337 -2.585 19.357 1.00 0.00 H new ATOM 0 HA PHE A 22 2.652 -2.524 19.308 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.712 -3.160 21.499 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.644 -4.327 20.744 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.281 -3.577 21.287 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.374 -6.589 20.413 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.997 -5.313 21.518 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.101 -8.314 20.644 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.412 -7.681 21.192 1.00 0.00 H new ATOM 359 N ALA A 23 2.837 -4.649 17.790 1.00 0.00 N ATOM 360 CA ALA A 23 2.920 -5.712 16.762 1.00 0.00 C ATOM 361 C ALA A 23 4.201 -6.538 16.900 1.00 0.00 C ATOM 362 O ALA A 23 5.195 -6.065 17.466 1.00 0.00 O ATOM 363 CB ALA A 23 2.825 -5.141 15.354 1.00 0.00 C ATOM 0 H ALA A 23 3.733 -4.428 18.224 1.00 0.00 H new ATOM 0 HA ALA A 23 2.066 -6.369 16.929 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.890 -5.951 14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.874 -4.622 15.235 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.643 -4.440 15.190 1.00 0.00 H new ATOM 369 N ALA A 24 4.153 -7.764 16.337 1.00 0.00 N ATOM 370 CA ALA A 24 5.266 -8.726 16.335 1.00 0.00 C ATOM 371 C ALA A 24 4.937 -9.883 15.371 1.00 0.00 C ATOM 372 O ALA A 24 3.780 -10.293 15.279 1.00 0.00 O ATOM 373 CB ALA A 24 5.517 -9.245 17.760 1.00 0.00 C ATOM 0 H ALA A 24 3.321 -8.116 15.863 1.00 0.00 H new ATOM 0 HA ALA A 24 6.177 -8.235 15.993 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.343 -9.956 17.748 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.768 -8.409 18.413 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.619 -9.738 18.131 1.00 0.00 H new ATOM 379 N VAL A 25 5.948 -10.399 14.642 1.00 0.00 N ATOM 380 CA VAL A 25 5.744 -11.496 13.662 1.00 0.00 C ATOM 381 C VAL A 25 5.947 -12.861 14.351 1.00 0.00 C ATOM 382 O VAL A 25 7.080 -13.219 14.701 1.00 0.00 O ATOM 383 CB VAL A 25 6.717 -11.400 12.419 1.00 0.00 C ATOM 384 CG1 VAL A 25 6.266 -12.337 11.268 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.875 -9.959 11.934 1.00 0.00 C ATOM 0 H VAL A 25 6.913 -10.077 14.710 1.00 0.00 H new ATOM 0 HA VAL A 25 4.723 -11.397 13.292 1.00 0.00 H new ATOM 0 HB VAL A 25 7.697 -11.740 12.753 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.958 -12.244 10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.259 -13.368 11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.264 -12.058 10.943 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.551 -9.935 11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.902 -9.566 11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.285 -9.347 12.738 1.00 0.00 H new ATOM 395 N GLU A 26 4.843 -13.590 14.578 1.00 0.00 N ATOM 396 CA GLU A 26 4.873 -14.965 15.114 1.00 0.00 C ATOM 397 C GLU A 26 5.353 -15.966 14.046 1.00 0.00 C ATOM 398 O GLU A 26 6.402 -16.604 14.206 1.00 0.00 O ATOM 399 CB GLU A 26 3.471 -15.375 15.659 1.00 0.00 C ATOM 400 CG GLU A 26 3.051 -14.642 16.948 1.00 0.00 C ATOM 401 CD GLU A 26 4.015 -14.911 18.125 1.00 0.00 C ATOM 402 OE1 GLU A 26 3.933 -15.999 18.740 1.00 0.00 O ATOM 403 OE2 GLU A 26 4.876 -14.055 18.425 1.00 0.00 O ATOM 0 H GLU A 26 3.901 -13.244 14.395 1.00 0.00 H new ATOM 0 HA GLU A 26 5.584 -14.987 15.940 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.725 -15.185 14.888 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.468 -16.448 15.848 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.009 -13.570 16.755 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.045 -14.955 17.228 1.00 0.00 H new ATOM 410 N LYS A 27 4.581 -16.087 12.956 1.00 0.00 N ATOM 411 CA LYS A 27 4.844 -17.072 11.891 1.00 0.00 C ATOM 412 C LYS A 27 5.333 -16.364 10.623 1.00 0.00 C ATOM 413 O LYS A 27 4.932 -15.231 10.338 1.00 0.00 O ATOM 414 CB LYS A 27 3.561 -17.894 11.599 1.00 0.00 C ATOM 415 CG LYS A 27 3.742 -19.049 10.587 1.00 0.00 C ATOM 416 CD LYS A 27 2.462 -19.893 10.403 1.00 0.00 C ATOM 417 CE LYS A 27 2.684 -21.138 9.525 1.00 0.00 C ATOM 418 NZ LYS A 27 3.653 -22.090 10.121 1.00 0.00 N ATOM 0 H LYS A 27 3.759 -15.508 12.786 1.00 0.00 H new ATOM 0 HA LYS A 27 5.625 -17.755 12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.191 -18.307 12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.792 -17.219 11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.041 -18.637 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.553 -19.696 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.096 -20.205 11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.686 -19.273 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.731 -21.644 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.042 -20.827 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.629 -22.986 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.610 -21.686 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.400 -22.266 11.114 1.00 0.00 H new ATOM 432 N LYS A 28 6.192 -17.059 9.872 1.00 0.00 N ATOM 433 CA LYS A 28 6.760 -16.588 8.606 1.00 0.00 C ATOM 434 C LYS A 28 6.518 -17.637 7.515 1.00 0.00 C ATOM 435 O LYS A 28 6.602 -18.838 7.779 1.00 0.00 O ATOM 436 CB LYS A 28 8.282 -16.314 8.778 1.00 0.00 C ATOM 437 CG LYS A 28 9.048 -16.054 7.462 1.00 0.00 C ATOM 438 CD LYS A 28 10.482 -15.524 7.674 1.00 0.00 C ATOM 439 CE LYS A 28 11.188 -15.218 6.341 1.00 0.00 C ATOM 440 NZ LYS A 28 12.499 -14.557 6.538 1.00 0.00 N ATOM 0 H LYS A 28 6.520 -17.988 10.135 1.00 0.00 H new ATOM 0 HA LYS A 28 6.275 -15.657 8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.410 -15.452 9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.735 -17.167 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.093 -16.980 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.489 -15.335 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.448 -14.620 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.062 -16.260 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.331 -16.146 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.549 -14.578 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.716 -13.963 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.464 -13.964 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.239 -15.279 6.648 1.00 0.00 H new ATOM 454 N GLY A 29 6.211 -17.168 6.303 1.00 0.00 N ATOM 455 CA GLY A 29 6.113 -18.022 5.124 1.00 0.00 C ATOM 456 C GLY A 29 6.895 -17.458 3.950 1.00 0.00 C ATOM 457 O GLY A 29 8.018 -16.966 4.138 1.00 0.00 O ATOM 0 H GLY A 29 6.024 -16.183 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.487 -19.017 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.066 -18.134 4.843 1.00 0.00 H new ATOM 461 N ALA A 30 6.298 -17.507 2.743 1.00 0.00 N ATOM 462 CA ALA A 30 6.937 -17.016 1.509 1.00 0.00 C ATOM 463 C ALA A 30 6.993 -15.486 1.531 1.00 0.00 C ATOM 464 O ALA A 30 5.975 -14.829 1.744 1.00 0.00 O ATOM 465 CB ALA A 30 6.191 -17.517 0.261 1.00 0.00 C ATOM 0 H ALA A 30 5.363 -17.887 2.598 1.00 0.00 H new ATOM 0 HA ALA A 30 7.953 -17.408 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.685 -17.139 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.197 -18.607 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.161 -17.161 0.285 1.00 0.00 H new ATOM 471 N GLU A 31 8.186 -14.935 1.313 1.00 0.00 N ATOM 472 CA GLU A 31 8.449 -13.501 1.480 1.00 0.00 C ATOM 473 C GLU A 31 7.837 -12.666 0.349 1.00 0.00 C ATOM 474 O GLU A 31 7.461 -11.534 0.574 1.00 0.00 O ATOM 475 CB GLU A 31 9.970 -13.265 1.598 1.00 0.00 C ATOM 476 CG GLU A 31 10.598 -14.037 2.773 1.00 0.00 C ATOM 477 CD GLU A 31 12.110 -13.821 2.918 1.00 0.00 C ATOM 478 OE1 GLU A 31 12.875 -14.385 2.106 1.00 0.00 O ATOM 479 OE2 GLU A 31 12.542 -13.114 3.855 1.00 0.00 O ATOM 0 H GLU A 31 9.002 -15.470 1.015 1.00 0.00 H new ATOM 0 HA GLU A 31 7.966 -13.169 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.454 -13.567 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.160 -12.199 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.107 -13.735 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.403 -15.101 2.642 1.00 0.00 H new ATOM 486 N ALA A 32 7.723 -13.238 -0.847 1.00 0.00 N ATOM 487 CA ALA A 32 7.168 -12.541 -2.026 1.00 0.00 C ATOM 488 C ALA A 32 5.630 -12.690 -2.113 1.00 0.00 C ATOM 489 O ALA A 32 4.895 -11.688 -2.099 1.00 0.00 O ATOM 490 CB ALA A 32 7.845 -13.060 -3.306 1.00 0.00 C ATOM 0 H ALA A 32 8.010 -14.198 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 32 7.377 -11.477 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.432 -12.542 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.918 -12.875 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.666 -14.131 -3.404 1.00 0.00 H new ATOM 496 N ALA A 33 5.151 -13.953 -2.173 1.00 0.00 N ATOM 497 CA ALA A 33 3.731 -14.279 -2.488 1.00 0.00 C ATOM 498 C ALA A 33 3.003 -14.990 -1.330 1.00 0.00 C ATOM 499 O ALA A 33 1.903 -15.534 -1.530 1.00 0.00 O ATOM 500 CB ALA A 33 3.688 -15.146 -3.759 1.00 0.00 C ATOM 0 H ALA A 33 5.731 -14.776 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 33 3.203 -13.339 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.653 -15.390 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.132 -14.597 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.248 -16.066 -3.591 1.00 0.00 H new ATOM 506 N GLY A 34 3.603 -14.977 -0.128 1.00 0.00 N ATOM 507 CA GLY A 34 2.992 -15.585 1.063 1.00 0.00 C ATOM 508 C GLY A 34 1.718 -14.879 1.524 1.00 0.00 C ATOM 509 O GLY A 34 1.577 -13.659 1.354 1.00 0.00 O ATOM 0 H GLY A 34 4.513 -14.550 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.762 -16.629 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.717 -15.577 1.877 1.00 0.00 H new ATOM 513 N ALA A 35 0.791 -15.656 2.106 1.00 0.00 N ATOM 514 CA ALA A 35 -0.450 -15.132 2.697 1.00 0.00 C ATOM 515 C ALA A 35 -0.110 -14.410 4.006 1.00 0.00 C ATOM 516 O ALA A 35 0.975 -14.602 4.549 1.00 0.00 O ATOM 517 CB ALA A 35 -1.451 -16.282 2.934 1.00 0.00 C ATOM 0 H ALA A 35 0.882 -16.669 2.180 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.919 -14.422 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.366 -15.883 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.683 -16.764 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.012 -17.012 3.614 1.00 0.00 H new ATOM 523 N ILE A 36 -1.017 -13.564 4.502 1.00 0.00 N ATOM 524 CA ILE A 36 -0.783 -12.772 5.725 1.00 0.00 C ATOM 525 C ILE A 36 -2.055 -12.846 6.582 1.00 0.00 C ATOM 526 O ILE A 36 -3.085 -12.278 6.209 1.00 0.00 O ATOM 527 CB ILE A 36 -0.446 -11.245 5.442 1.00 0.00 C ATOM 528 CG1 ILE A 36 0.574 -11.026 4.271 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.058 -10.556 6.741 1.00 0.00 C ATOM 530 CD1 ILE A 36 1.988 -11.506 4.537 1.00 0.00 C ATOM 0 H ILE A 36 -1.930 -13.405 4.075 1.00 0.00 H new ATOM 0 HA ILE A 36 0.087 -13.194 6.229 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.378 -10.783 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.197 -11.536 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.608 -9.962 4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.285 -9.510 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.715 -10.614 7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.958 -11.060 7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.610 -11.307 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.395 -10.979 5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.977 -12.577 4.738 1.00 0.00 H new ATOM 542 N PHE A 37 -1.998 -13.592 7.687 1.00 0.00 N ATOM 543 CA PHE A 37 -3.090 -13.677 8.662 1.00 0.00 C ATOM 544 C PHE A 37 -2.686 -12.931 9.928 1.00 0.00 C ATOM 545 O PHE A 37 -1.782 -13.347 10.642 1.00 0.00 O ATOM 546 CB PHE A 37 -3.442 -15.156 8.961 1.00 0.00 C ATOM 547 CG PHE A 37 -4.251 -15.825 7.846 1.00 0.00 C ATOM 548 CD1 PHE A 37 -3.673 -16.102 6.609 1.00 0.00 C ATOM 549 CD2 PHE A 37 -5.594 -16.159 8.032 1.00 0.00 C ATOM 550 CE1 PHE A 37 -4.403 -16.691 5.601 1.00 0.00 C ATOM 551 CE2 PHE A 37 -6.320 -16.745 7.022 1.00 0.00 C ATOM 552 CZ PHE A 37 -5.727 -17.010 5.807 1.00 0.00 C ATOM 0 H PHE A 37 -1.187 -14.159 7.933 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.986 -13.211 8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.521 -15.717 9.118 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.008 -15.206 9.891 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.637 -15.851 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.068 -15.955 8.981 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.938 -16.903 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.358 -16.998 7.182 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.301 -17.468 5.015 1.00 0.00 H new ATOM 562 N VAL A 38 -3.374 -11.826 10.203 1.00 0.00 N ATOM 563 CA VAL A 38 -3.051 -10.939 11.324 1.00 0.00 C ATOM 564 C VAL A 38 -4.115 -11.103 12.409 1.00 0.00 C ATOM 565 O VAL A 38 -5.305 -11.202 12.107 1.00 0.00 O ATOM 566 CB VAL A 38 -2.972 -9.439 10.847 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.541 -8.494 11.992 1.00 0.00 C ATOM 568 CG2 VAL A 38 -2.018 -9.300 9.642 1.00 0.00 C ATOM 0 H VAL A 38 -4.176 -11.517 9.654 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.075 -11.209 11.727 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.974 -9.143 10.536 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.499 -7.470 11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.263 -8.556 12.806 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.557 -8.789 12.356 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.978 -8.257 9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.020 -9.632 9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.382 -9.913 8.817 1.00 0.00 H new ATOM 578 N ARG A 39 -3.677 -11.174 13.665 1.00 0.00 N ATOM 579 CA ARG A 39 -4.565 -11.237 14.829 1.00 0.00 C ATOM 580 C ARG A 39 -4.492 -9.895 15.594 1.00 0.00 C ATOM 581 O ARG A 39 -3.416 -9.492 16.045 1.00 0.00 O ATOM 582 CB ARG A 39 -4.182 -12.439 15.750 1.00 0.00 C ATOM 583 CG ARG A 39 -2.686 -12.506 16.138 1.00 0.00 C ATOM 584 CD ARG A 39 -2.391 -13.380 17.366 1.00 0.00 C ATOM 585 NE ARG A 39 -2.581 -14.825 17.136 1.00 0.00 N ATOM 586 CZ ARG A 39 -3.137 -15.673 18.011 1.00 0.00 C ATOM 587 NH1 ARG A 39 -3.777 -15.223 19.089 1.00 0.00 N ATOM 588 NH2 ARG A 39 -3.105 -16.972 17.770 1.00 0.00 N ATOM 0 H ARG A 39 -2.686 -11.190 13.908 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.591 -11.398 14.498 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.777 -12.385 16.661 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.454 -13.366 15.246 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.119 -12.889 15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.327 -11.495 16.331 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.363 -13.206 17.684 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.036 -13.065 18.186 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.265 -15.207 16.244 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.849 -14.220 19.258 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.195 -15.882 19.746 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.659 -17.323 16.922 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.526 -17.624 18.432 1.00 0.00 H new ATOM 602 N GLN A 40 -5.628 -9.178 15.680 1.00 0.00 N ATOM 603 CA GLN A 40 -5.744 -7.952 16.497 1.00 0.00 C ATOM 604 C GLN A 40 -6.130 -8.331 17.926 1.00 0.00 C ATOM 605 O GLN A 40 -7.096 -9.045 18.108 1.00 0.00 O ATOM 606 CB GLN A 40 -6.811 -6.983 15.924 1.00 0.00 C ATOM 607 CG GLN A 40 -7.083 -5.762 16.832 1.00 0.00 C ATOM 608 CD GLN A 40 -8.259 -4.891 16.403 1.00 0.00 C ATOM 609 OE1 GLN A 40 -8.557 -4.751 15.235 1.00 0.00 O ATOM 610 NE2 GLN A 40 -8.930 -4.305 17.369 1.00 0.00 N ATOM 0 H GLN A 40 -6.487 -9.428 15.189 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.779 -7.445 16.482 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.484 -6.633 14.945 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.742 -7.529 15.773 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.263 -6.116 17.847 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.185 -5.145 16.864 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.652 -4.444 18.340 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.729 -3.711 17.147 1.00 0.00 H new ATOM 619 N ARG A 41 -5.407 -7.820 18.929 1.00 0.00 N ATOM 620 CA ARG A 41 -5.699 -8.099 20.342 1.00 0.00 C ATOM 621 C ARG A 41 -6.371 -6.890 21.001 1.00 0.00 C ATOM 622 O ARG A 41 -6.063 -5.740 20.675 1.00 0.00 O ATOM 623 CB ARG A 41 -4.410 -8.471 21.103 1.00 0.00 C ATOM 624 CG ARG A 41 -4.670 -9.055 22.519 1.00 0.00 C ATOM 625 CD ARG A 41 -3.416 -9.639 23.182 1.00 0.00 C ATOM 626 NE ARG A 41 -2.379 -8.626 23.436 1.00 0.00 N ATOM 627 CZ ARG A 41 -1.114 -8.892 23.787 1.00 0.00 C ATOM 628 NH1 ARG A 41 -0.667 -10.143 23.858 1.00 0.00 N ATOM 629 NH2 ARG A 41 -0.290 -7.897 24.065 1.00 0.00 N ATOM 0 H ARG A 41 -4.606 -7.204 18.787 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.383 -8.946 20.386 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.849 -9.199 20.516 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.783 -7.584 21.194 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.077 -8.271 23.157 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.429 -9.834 22.448 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.695 -10.110 24.124 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.004 -10.421 22.544 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.644 -7.646 23.337 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.291 -10.921 23.643 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.300 -10.325 24.127 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.618 -6.933 24.012 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.674 -8.093 24.333 1.00 0.00 H new ATOM 643 N LEU A 42 -7.289 -7.184 21.928 1.00 0.00 N ATOM 644 CA LEU A 42 -8.038 -6.191 22.696 1.00 0.00 C ATOM 645 C LEU A 42 -7.704 -6.316 24.184 1.00 0.00 C ATOM 646 O LEU A 42 -7.454 -7.418 24.692 1.00 0.00 O ATOM 647 CB LEU A 42 -9.579 -6.363 22.486 1.00 0.00 C ATOM 648 CG LEU A 42 -10.166 -5.910 21.109 1.00 0.00 C ATOM 649 CD1 LEU A 42 -9.757 -4.460 20.791 1.00 0.00 C ATOM 650 CD2 LEU A 42 -9.798 -6.875 19.961 1.00 0.00 C ATOM 0 H LEU A 42 -7.536 -8.144 22.169 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.749 -5.202 22.341 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.824 -7.415 22.628 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.091 -5.807 23.271 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.252 -5.944 21.195 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.176 -4.166 19.829 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.134 -3.797 21.569 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.670 -4.389 20.750 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.231 -6.513 19.028 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.714 -6.926 19.862 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.189 -7.868 20.181 1.00 0.00 H new ATOM 662 N ARG A 43 -7.722 -5.161 24.864 1.00 0.00 N ATOM 663 CA ARG A 43 -7.650 -5.056 26.337 1.00 0.00 C ATOM 664 C ARG A 43 -8.838 -5.781 27.019 1.00 0.00 C ATOM 665 O ARG A 43 -8.763 -6.131 28.202 1.00 0.00 O ATOM 666 CB ARG A 43 -7.618 -3.557 26.772 1.00 0.00 C ATOM 667 CG ARG A 43 -8.959 -2.778 26.620 1.00 0.00 C ATOM 668 CD ARG A 43 -9.391 -2.544 25.160 1.00 0.00 C ATOM 669 NE ARG A 43 -10.773 -2.029 25.065 1.00 0.00 N ATOM 670 CZ ARG A 43 -11.124 -0.813 24.642 1.00 0.00 C ATOM 671 NH1 ARG A 43 -10.205 0.073 24.273 1.00 0.00 N ATOM 672 NH2 ARG A 43 -12.404 -0.487 24.593 1.00 0.00 N ATOM 0 H ARG A 43 -7.788 -4.254 24.402 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.730 -5.544 26.658 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.307 -3.508 27.816 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.854 -3.045 26.187 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.746 -3.328 27.136 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.864 -1.813 27.118 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.708 -1.837 24.689 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.314 -3.479 24.605 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.524 -2.658 25.348 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.216 -0.173 24.311 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.489 0.999 23.952 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.114 -1.162 24.877 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.682 0.440 24.271 1.00 0.00 H new ATOM 686 N ASP A 44 -9.932 -5.984 26.248 1.00 0.00 N ATOM 687 CA ASP A 44 -11.153 -6.678 26.701 1.00 0.00 C ATOM 688 C ASP A 44 -10.896 -8.182 26.930 1.00 0.00 C ATOM 689 O ASP A 44 -11.696 -8.862 27.583 1.00 0.00 O ATOM 690 CB ASP A 44 -12.290 -6.495 25.653 1.00 0.00 C ATOM 691 CG ASP A 44 -12.497 -5.023 25.237 1.00 0.00 C ATOM 692 OD1 ASP A 44 -13.142 -4.259 25.987 1.00 0.00 O ATOM 693 OD2 ASP A 44 -11.992 -4.612 24.167 1.00 0.00 O ATOM 0 H ASP A 44 -9.989 -5.665 25.281 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.454 -6.236 27.651 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.059 -7.088 24.768 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.221 -6.885 26.064 1.00 0.00 H new ATOM 698 N GLY A 45 -9.767 -8.679 26.385 1.00 0.00 N ATOM 699 CA GLY A 45 -9.424 -10.101 26.405 1.00 0.00 C ATOM 700 C GLY A 45 -9.737 -10.779 25.082 1.00 0.00 C ATOM 701 O GLY A 45 -9.395 -11.948 24.880 1.00 0.00 O ATOM 0 H GLY A 45 -9.071 -8.097 25.919 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.363 -10.215 26.629 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.974 -10.596 27.205 1.00 0.00 H new ATOM 705 N ARG A 46 -10.384 -10.035 24.168 1.00 0.00 N ATOM 706 CA ARG A 46 -10.819 -10.555 22.865 1.00 0.00 C ATOM 707 C ARG A 46 -9.765 -10.312 21.792 1.00 0.00 C ATOM 708 O ARG A 46 -8.784 -9.606 22.022 1.00 0.00 O ATOM 709 CB ARG A 46 -12.176 -9.919 22.453 1.00 0.00 C ATOM 710 CG ARG A 46 -13.341 -10.265 23.405 1.00 0.00 C ATOM 711 CD ARG A 46 -13.491 -11.788 23.582 1.00 0.00 C ATOM 712 NE ARG A 46 -14.742 -12.171 24.247 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.148 -13.434 24.462 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.344 -14.466 24.229 1.00 0.00 N ATOM 715 NH2 ARG A 46 -16.355 -13.652 24.945 1.00 0.00 N ATOM 0 H ARG A 46 -10.619 -9.054 24.315 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.953 -11.632 22.961 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.062 -8.836 22.413 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.431 -10.250 21.446 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.170 -9.800 24.376 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.269 -9.850 23.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.445 -12.267 22.604 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.648 -12.165 24.162 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.351 -11.420 24.571 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.399 -14.307 23.880 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.672 -15.417 24.399 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.971 -12.866 25.152 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.673 -14.607 25.112 1.00 0.00 H new ATOM 729 N GLU A 47 -10.005 -10.909 20.620 1.00 0.00 N ATOM 730 CA GLU A 47 -9.124 -10.845 19.456 1.00 0.00 C ATOM 731 C GLU A 47 -9.945 -10.932 18.162 1.00 0.00 C ATOM 732 O GLU A 47 -11.119 -11.304 18.171 1.00 0.00 O ATOM 733 CB GLU A 47 -8.023 -11.962 19.464 1.00 0.00 C ATOM 734 CG GLU A 47 -6.913 -11.780 20.523 1.00 0.00 C ATOM 735 CD GLU A 47 -5.676 -12.661 20.272 1.00 0.00 C ATOM 736 OE1 GLU A 47 -4.841 -12.294 19.420 1.00 0.00 O ATOM 737 OE2 GLU A 47 -5.529 -13.709 20.930 1.00 0.00 O ATOM 0 H GLU A 47 -10.843 -11.466 20.453 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.609 -9.885 19.505 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.506 -12.925 19.628 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.560 -12.001 18.478 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.607 -10.734 20.541 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.320 -12.010 21.508 1.00 0.00 H new ATOM 744 N ASN A 48 -9.294 -10.565 17.053 1.00 0.00 N ATOM 745 CA ASN A 48 -9.844 -10.638 15.688 1.00 0.00 C ATOM 746 C ASN A 48 -8.829 -11.385 14.816 1.00 0.00 C ATOM 747 O ASN A 48 -7.648 -11.440 15.158 1.00 0.00 O ATOM 748 CB ASN A 48 -10.079 -9.220 15.095 1.00 0.00 C ATOM 749 CG ASN A 48 -10.972 -8.314 15.949 1.00 0.00 C ATOM 750 OD1 ASN A 48 -12.178 -8.267 15.786 1.00 0.00 O ATOM 751 ND2 ASN A 48 -10.378 -7.584 16.867 1.00 0.00 N ATOM 0 H ASN A 48 -8.343 -10.198 17.077 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.804 -11.153 15.714 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.114 -8.733 14.958 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.527 -9.323 14.107 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.929 -6.963 17.460 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.367 -7.639 16.987 1.00 0.00 H new ATOM 758 N LEU A 49 -9.284 -11.961 13.702 1.00 0.00 N ATOM 759 CA LEU A 49 -8.412 -12.640 12.728 1.00 0.00 C ATOM 760 C LEU A 49 -8.682 -12.040 11.350 1.00 0.00 C ATOM 761 O LEU A 49 -9.832 -11.752 11.011 1.00 0.00 O ATOM 762 CB LEU A 49 -8.659 -14.186 12.720 1.00 0.00 C ATOM 763 CG LEU A 49 -7.384 -15.090 12.660 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.750 -16.582 12.666 1.00 0.00 C ATOM 765 CD2 LEU A 49 -6.469 -14.752 11.464 1.00 0.00 C ATOM 0 H LEU A 49 -10.271 -11.972 13.444 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.369 -12.490 13.005 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.222 -14.447 13.616 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.290 -14.427 11.865 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.815 -14.875 13.565 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.840 -17.180 12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.297 -16.819 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.373 -16.807 11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.600 -15.410 11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.020 -14.891 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.140 -13.716 11.539 1.00 0.00 H new ATOM 777 N TYR A 50 -7.615 -11.852 10.579 1.00 0.00 N ATOM 778 CA TYR A 50 -7.662 -11.293 9.223 1.00 0.00 C ATOM 779 C TYR A 50 -6.903 -12.223 8.279 1.00 0.00 C ATOM 780 O TYR A 50 -6.122 -13.052 8.732 1.00 0.00 O ATOM 781 CB TYR A 50 -7.042 -9.866 9.207 1.00 0.00 C ATOM 782 CG TYR A 50 -7.589 -8.977 10.329 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.933 -8.600 10.352 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.782 -8.567 11.389 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.442 -7.846 11.378 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.291 -7.810 12.411 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.620 -7.454 12.401 1.00 0.00 C ATOM 788 OH TYR A 50 -9.134 -6.693 13.417 1.00 0.00 O ATOM 0 H TYR A 50 -6.670 -12.088 10.882 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.698 -11.212 8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.959 -9.943 9.304 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.244 -9.396 8.244 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.584 -8.908 9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.740 -8.850 11.405 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.484 -7.563 11.379 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.651 -7.494 13.222 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.442 -6.086 13.753 1.00 0.00 H new ATOM 798 N GLY A 51 -7.147 -12.080 6.982 1.00 0.00 N ATOM 799 CA GLY A 51 -6.443 -12.851 5.958 1.00 0.00 C ATOM 800 C GLY A 51 -6.456 -12.125 4.633 1.00 0.00 C ATOM 801 O GLY A 51 -7.156 -11.126 4.515 1.00 0.00 O ATOM 0 H GLY A 51 -7.837 -11.428 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.414 -13.025 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.912 -13.829 5.846 1.00 0.00 H new ATOM 805 N PRO A 52 -5.690 -12.580 3.600 1.00 0.00 N ATOM 806 CA PRO A 52 -5.740 -11.965 2.258 1.00 0.00 C ATOM 807 C PRO A 52 -7.128 -12.182 1.612 1.00 0.00 C ATOM 808 O PRO A 52 -7.555 -13.325 1.411 1.00 0.00 O ATOM 809 CB PRO A 52 -4.606 -12.690 1.481 1.00 0.00 C ATOM 810 CG PRO A 52 -4.434 -13.999 2.197 1.00 0.00 C ATOM 811 CD PRO A 52 -4.730 -13.713 3.656 1.00 0.00 C ATOM 0 HA PRO A 52 -5.598 -10.884 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.876 -12.842 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.684 -12.109 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.113 -14.754 1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.422 -14.384 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.162 -14.580 4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.826 -13.447 4.204 1.00 0.00 H new ATOM 819 N ALA A 53 -7.837 -11.072 1.348 1.00 0.00 N ATOM 820 CA ALA A 53 -9.158 -11.090 0.687 1.00 0.00 C ATOM 821 C ALA A 53 -9.039 -11.589 -0.769 1.00 0.00 C ATOM 822 O ALA A 53 -7.933 -11.551 -1.332 1.00 0.00 O ATOM 823 CB ALA A 53 -9.780 -9.680 0.724 1.00 0.00 C ATOM 0 H ALA A 53 -7.512 -10.135 1.586 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.807 -11.780 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.754 -9.699 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.900 -9.362 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.126 -8.980 0.203 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.240 -3.254 -3.691 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.207 -3.627 -2.280 1.00 0.00 C ATOM 1024 C GLU A 67 -2.441 -4.478 -1.972 1.00 0.00 C ATOM 1025 O GLU A 67 -3.580 -4.003 -2.091 1.00 0.00 O ATOM 1026 CB GLU A 67 -1.124 -2.388 -1.357 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.931 -2.751 0.132 1.00 0.00 C ATOM 1028 CD GLU A 67 -0.494 -1.566 0.999 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.660 -1.111 0.840 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -1.267 -1.113 1.870 1.00 0.00 O ATOM 0 HA GLU A 67 -0.306 -4.208 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.297 -1.757 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.035 -1.800 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.866 -3.152 0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.186 -3.543 0.211 1.00 0.00 H new ATOM 1037 N ARG A 68 -2.185 -5.751 -1.633 1.00 0.00 N ATOM 1038 CA ARG A 68 -3.219 -6.741 -1.307 1.00 0.00 C ATOM 1039 C ARG A 68 -4.056 -6.267 -0.099 1.00 0.00 C ATOM 1040 O ARG A 68 -3.506 -5.814 0.917 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.549 -8.121 -1.034 1.00 0.00 C ATOM 1042 CG ARG A 68 -1.600 -8.150 0.193 1.00 0.00 C ATOM 1043 CD ARG A 68 -0.748 -9.426 0.271 1.00 0.00 C ATOM 1044 NE ARG A 68 0.267 -9.481 -0.806 1.00 0.00 N ATOM 1045 CZ ARG A 68 1.371 -10.242 -0.777 1.00 0.00 C ATOM 1046 NH1 ARG A 68 1.581 -11.070 0.231 1.00 0.00 N ATOM 1047 NH2 ARG A 68 2.253 -10.180 -1.763 1.00 0.00 N ATOM 0 H ARG A 68 -1.238 -6.126 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.899 -6.851 -2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.331 -8.867 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.986 -8.417 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.941 -7.283 0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.192 -8.060 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.251 -9.472 1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.396 -10.300 0.203 1.00 0.00 H new ATOM 0 HE ARG A 68 0.116 -8.898 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.902 -11.132 0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.422 -11.647 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.095 -9.551 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.091 -10.761 -1.735 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.384 -6.346 -0.232 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.314 -5.893 0.792 1.00 0.00 C ATOM 1063 C ARG A 69 -6.829 -7.125 1.539 1.00 0.00 C ATOM 1064 O ARG A 69 -6.918 -8.214 0.960 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.452 -5.083 0.125 1.00 0.00 C ATOM 1066 CG ARG A 69 -8.411 -4.394 1.111 1.00 0.00 C ATOM 1067 CD ARG A 69 -9.367 -3.423 0.407 1.00 0.00 C ATOM 1068 NE ARG A 69 -10.371 -2.879 1.332 1.00 0.00 N ATOM 1069 CZ ARG A 69 -11.162 -1.834 1.076 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -11.022 -1.117 -0.031 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -12.081 -1.496 1.947 1.00 0.00 N ATOM 0 H ARG A 69 -5.840 -6.729 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.832 -5.232 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.010 -4.325 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.028 -5.751 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.990 -5.151 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.832 -3.853 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.796 -2.605 -0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.869 -3.937 -0.413 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.471 -3.335 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.299 -1.360 -0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.638 -0.323 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.186 -2.029 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.691 -0.700 1.762 1.00 0.00 H new ATOM 1085 N PHE A 70 -7.138 -6.955 2.822 1.00 0.00 N ATOM 1086 CA PHE A 70 -7.473 -8.067 3.724 1.00 0.00 C ATOM 1087 C PHE A 70 -8.974 -8.183 3.909 1.00 0.00 C ATOM 1088 O PHE A 70 -9.728 -7.323 3.490 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.787 -7.865 5.103 1.00 0.00 C ATOM 1090 CG PHE A 70 -5.287 -8.093 5.115 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -4.463 -7.495 4.166 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.702 -8.899 6.085 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -3.111 -7.700 4.182 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -3.350 -9.099 6.099 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.555 -8.499 5.149 1.00 0.00 C ATOM 0 H PHE A 70 -7.165 -6.040 3.273 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.108 -8.990 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.987 -6.850 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.248 -8.541 5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.897 -6.861 3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.321 -9.371 6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.483 -7.235 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.905 -9.728 6.856 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.487 -8.658 5.165 1.00 0.00 H new ATOM 1105 N GLU A 71 -9.370 -9.295 4.512 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.726 -9.575 4.960 1.00 0.00 C ATOM 1107 C GLU A 71 -10.664 -9.928 6.445 1.00 0.00 C ATOM 1108 O GLU A 71 -9.577 -10.172 6.984 1.00 0.00 O ATOM 1109 CB GLU A 71 -11.322 -10.756 4.162 1.00 0.00 C ATOM 1110 CG GLU A 71 -10.540 -12.085 4.288 1.00 0.00 C ATOM 1111 CD GLU A 71 -11.327 -13.277 3.742 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -12.189 -13.806 4.482 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -11.123 -13.671 2.573 1.00 0.00 O ATOM 0 H GLU A 71 -8.726 -10.060 4.711 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.362 -8.704 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.347 -10.921 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.370 -10.477 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.595 -12.000 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.297 -12.263 5.336 1.00 0.00 H new ATOM 1120 N THR A 72 -11.818 -9.967 7.099 1.00 0.00 N ATOM 1121 CA THR A 72 -11.913 -10.308 8.519 1.00 0.00 C ATOM 1122 C THR A 72 -12.439 -11.756 8.677 1.00 0.00 C ATOM 1123 O THR A 72 -13.628 -12.016 8.445 1.00 0.00 O ATOM 1124 CB THR A 72 -12.823 -9.272 9.243 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.297 -7.957 8.985 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.897 -9.500 10.765 1.00 0.00 C ATOM 0 H THR A 72 -12.717 -9.763 6.662 1.00 0.00 H new ATOM 0 HA THR A 72 -10.927 -10.266 8.982 1.00 0.00 H new ATOM 0 HB THR A 72 -13.836 -9.385 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.318 -7.995 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.545 -8.748 11.214 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.300 -10.493 10.965 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.898 -9.421 11.194 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.523 -12.694 9.017 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.852 -14.119 9.254 1.00 0.00 C ATOM 1136 C ARG A 73 -12.741 -14.254 10.507 1.00 0.00 C ATOM 1137 O ARG A 73 -13.866 -14.762 10.441 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.543 -14.958 9.429 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.744 -15.250 8.135 1.00 0.00 C ATOM 1140 CD ARG A 73 -10.510 -16.168 7.152 1.00 0.00 C ATOM 1141 NE ARG A 73 -9.607 -16.829 6.179 1.00 0.00 N ATOM 1142 CZ ARG A 73 -9.793 -16.899 4.851 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -10.822 -16.308 4.273 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -8.937 -17.570 4.101 1.00 0.00 N ATOM 0 H ARG A 73 -10.532 -12.482 9.135 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.397 -14.501 8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.889 -14.433 10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.804 -15.909 9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.509 -14.309 7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.795 -15.717 8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.052 -16.928 7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.253 -15.580 6.613 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.767 -17.271 6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.493 -15.786 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.946 -16.373 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.137 -18.034 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.077 -17.624 3.092 1.00 0.00 H new ATOM 1158 N LEU A 74 -12.202 -13.789 11.648 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.888 -13.803 12.959 1.00 0.00 C ATOM 1160 C LEU A 74 -12.903 -12.378 13.539 1.00 0.00 C ATOM 1161 O LEU A 74 -12.095 -11.543 13.127 1.00 0.00 O ATOM 1162 CB LEU A 74 -12.152 -14.777 13.920 1.00 0.00 C ATOM 1163 CG LEU A 74 -12.101 -16.275 13.464 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -11.119 -17.090 14.324 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.512 -16.912 13.475 1.00 0.00 C ATOM 0 H LEU A 74 -11.265 -13.387 11.689 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.916 -14.145 12.838 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.130 -14.422 14.054 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.636 -14.730 14.896 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.735 -16.293 12.438 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.108 -18.125 13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.119 -16.667 14.234 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.434 -17.057 15.367 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.444 -17.951 13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.922 -16.870 14.484 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.164 -16.364 12.795 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.814 -12.103 14.491 1.00 0.00 N ATOM 1178 CA ALA A 75 -13.889 -10.784 15.148 1.00 0.00 C ATOM 1179 C ALA A 75 -14.517 -10.876 16.547 1.00 0.00 C ATOM 1180 O ALA A 75 -15.547 -11.528 16.720 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.656 -9.771 14.276 1.00 0.00 C ATOM 0 H ALA A 75 -14.507 -12.774 14.822 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.865 -10.429 15.268 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.695 -8.808 14.786 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.146 -9.655 13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.670 -10.132 14.105 1.00 0.00 H new ATOM 1187 N GLY A 76 -13.866 -10.221 17.538 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.370 -10.145 18.922 1.00 0.00 C ATOM 1189 C GLY A 76 -14.490 -11.505 19.609 1.00 0.00 C ATOM 1190 O GLY A 76 -15.335 -11.703 20.488 1.00 0.00 O ATOM 0 H GLY A 76 -12.981 -9.734 17.397 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.705 -9.510 19.507 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.348 -9.663 18.917 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.622 -12.429 19.197 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.595 -13.825 19.673 1.00 0.00 C ATOM 1196 C VAL A 77 -12.460 -13.992 20.695 1.00 0.00 C ATOM 1197 O VAL A 77 -11.779 -13.025 21.011 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.391 -14.812 18.461 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.552 -14.701 17.445 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -12.031 -14.570 17.766 1.00 0.00 C ATOM 0 H VAL A 77 -12.898 -12.230 18.507 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.546 -14.062 20.150 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.390 -15.826 18.861 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.382 -15.394 16.621 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.492 -14.948 17.938 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.601 -13.683 17.059 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.919 -15.265 16.934 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.991 -13.547 17.392 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.224 -14.727 18.481 1.00 0.00 H new ATOM 1210 N GLU A 78 -12.250 -15.203 21.221 1.00 0.00 N ATOM 1211 CA GLU A 78 -11.104 -15.470 22.114 1.00 0.00 C ATOM 1212 C GLU A 78 -9.890 -15.951 21.291 1.00 0.00 C ATOM 1213 O GLU A 78 -10.032 -16.311 20.110 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.489 -16.491 23.214 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.829 -17.904 22.713 1.00 0.00 C ATOM 1216 CD GLU A 78 -12.102 -18.882 23.865 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -11.158 -19.189 24.630 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -13.258 -19.318 24.040 1.00 0.00 O ATOM 0 H GLU A 78 -12.849 -16.011 21.050 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.825 -14.543 22.616 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.664 -16.564 23.923 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.347 -16.102 23.762 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.704 -17.856 22.065 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.004 -18.280 22.108 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.711 -15.970 21.939 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.451 -16.354 21.293 1.00 0.00 C ATOM 1227 C GLY A 79 -7.409 -17.809 20.842 1.00 0.00 C ATOM 1228 O GLY A 79 -6.675 -18.155 19.907 1.00 0.00 O ATOM 0 H GLY A 79 -8.609 -15.720 22.923 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.286 -15.711 20.429 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.629 -16.174 21.986 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.209 -18.650 21.519 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.390 -20.066 21.167 1.00 0.00 C ATOM 1234 C GLU A 80 -8.900 -20.200 19.723 1.00 0.00 C ATOM 1235 O GLU A 80 -8.355 -20.981 18.948 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.387 -20.733 22.151 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.687 -22.221 21.884 1.00 0.00 C ATOM 1238 CD GLU A 80 -8.453 -23.123 21.992 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -7.946 -23.311 23.120 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -7.971 -23.644 20.961 1.00 0.00 O ATOM 0 H GLU A 80 -8.752 -18.362 22.333 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.427 -20.571 21.241 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.992 -20.636 23.162 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.326 -20.180 22.120 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.441 -22.564 22.592 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.116 -22.324 20.887 1.00 0.00 H new ATOM 1247 N GLU A 81 -9.916 -19.383 19.378 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.550 -19.382 18.039 1.00 0.00 C ATOM 1249 C GLU A 81 -9.541 -18.990 16.949 1.00 0.00 C ATOM 1250 O GLU A 81 -9.535 -19.566 15.848 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.747 -18.396 18.015 1.00 0.00 C ATOM 1252 CG GLU A 81 -12.765 -18.596 19.151 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.365 -20.005 19.191 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.261 -20.301 18.375 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -12.934 -20.832 20.026 1.00 0.00 O ATOM 0 H GLU A 81 -10.323 -18.703 20.020 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.905 -20.392 17.836 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.363 -17.377 18.065 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.264 -18.496 17.060 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.279 -18.389 20.105 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.570 -17.870 19.039 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.681 -18.015 17.296 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.674 -17.464 16.386 1.00 0.00 C ATOM 1264 C ILE A 82 -6.674 -18.562 15.983 1.00 0.00 C ATOM 1265 O ILE A 82 -6.539 -18.891 14.802 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.905 -16.256 17.045 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.892 -15.174 17.586 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.910 -15.629 16.046 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.761 -14.523 16.529 1.00 0.00 C ATOM 0 H ILE A 82 -8.670 -17.588 18.222 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.188 -17.095 15.499 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.344 -16.649 17.893 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.537 -15.633 18.335 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.317 -14.398 18.092 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.391 -14.797 16.523 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.184 -16.380 15.736 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.452 -15.266 15.173 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.413 -13.786 16.998 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.128 -14.030 15.791 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.367 -15.284 16.037 1.00 0.00 H new ATOM 1281 N ALA A 83 -6.041 -19.167 17.000 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.032 -20.225 16.810 1.00 0.00 C ATOM 1283 C ALA A 83 -5.665 -21.521 16.263 1.00 0.00 C ATOM 1284 O ALA A 83 -4.974 -22.326 15.631 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.292 -20.484 18.130 1.00 0.00 C ATOM 0 H ALA A 83 -6.213 -18.937 17.979 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.313 -19.883 16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.548 -21.267 17.982 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.797 -19.569 18.455 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.005 -20.800 18.891 1.00 0.00 H new ATOM 1291 N ALA A 84 -6.983 -21.692 16.503 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.762 -22.840 15.999 1.00 0.00 C ATOM 1293 C ALA A 84 -7.879 -22.804 14.472 1.00 0.00 C ATOM 1294 O ALA A 84 -7.824 -23.852 13.825 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.162 -22.872 16.631 1.00 0.00 C ATOM 0 H ALA A 84 -7.536 -21.035 17.053 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.228 -23.747 16.283 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.717 -23.727 16.244 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.071 -22.959 17.714 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.694 -21.953 16.385 1.00 0.00 H new ATOM 1301 N LEU A 85 -8.058 -21.595 13.897 1.00 0.00 N ATOM 1302 CA LEU A 85 -8.105 -21.439 12.435 1.00 0.00 C ATOM 1303 C LEU A 85 -6.693 -21.398 11.836 1.00 0.00 C ATOM 1304 O LEU A 85 -6.475 -21.937 10.768 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.861 -20.178 11.976 1.00 0.00 C ATOM 1306 CG LEU A 85 -9.003 -20.072 10.408 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -10.351 -20.594 9.898 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -8.646 -18.675 9.884 1.00 0.00 C ATOM 0 H LEU A 85 -8.171 -20.726 14.419 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.650 -22.312 12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.854 -20.175 12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.340 -19.295 12.347 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.259 -20.744 9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.392 -20.496 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.462 -21.643 10.172 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.158 -20.014 10.345 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.759 -18.653 8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.311 -17.937 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.614 -18.441 10.146 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.755 -20.718 12.508 1.00 0.00 N ATOM 1321 CA LEU A 86 -4.331 -20.653 12.073 1.00 0.00 C ATOM 1322 C LEU A 86 -3.708 -22.062 11.966 1.00 0.00 C ATOM 1323 O LEU A 86 -2.804 -22.290 11.161 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.517 -19.751 13.032 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.956 -18.252 13.054 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -3.182 -17.446 14.110 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.833 -17.613 11.652 1.00 0.00 C ATOM 0 H LEU A 86 -5.947 -20.197 13.364 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.300 -20.212 11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.597 -20.153 14.042 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.465 -19.803 12.751 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.008 -18.225 13.339 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.517 -16.409 14.093 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.364 -17.870 15.097 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.115 -17.487 13.889 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.145 -16.570 11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.797 -17.667 11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.470 -18.151 10.950 1.00 0.00 H new ATOM 1339 N GLU A 87 -4.241 -22.979 12.783 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.994 -24.416 12.728 1.00 0.00 C ATOM 1341 C GLU A 87 -4.459 -25.007 11.372 1.00 0.00 C ATOM 1342 O GLU A 87 -3.729 -25.764 10.723 1.00 0.00 O ATOM 1343 CB GLU A 87 -4.775 -25.034 13.923 1.00 0.00 C ATOM 1344 CG GLU A 87 -4.901 -26.560 13.969 1.00 0.00 C ATOM 1345 CD GLU A 87 -3.627 -27.307 14.392 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -2.994 -26.898 15.396 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -3.252 -28.305 13.737 1.00 0.00 O ATOM 0 H GLU A 87 -4.884 -22.723 13.532 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.930 -24.642 12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.293 -24.708 14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.780 -24.613 13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.703 -26.822 14.659 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.201 -26.914 12.983 1.00 0.00 H new ATOM 1354 N ARG A 88 -5.667 -24.612 10.950 1.00 0.00 N ATOM 1355 CA ARG A 88 -6.325 -25.125 9.729 1.00 0.00 C ATOM 1356 C ARG A 88 -5.670 -24.548 8.452 1.00 0.00 C ATOM 1357 O ARG A 88 -5.284 -25.292 7.557 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.831 -24.762 9.784 1.00 0.00 C ATOM 1359 CG ARG A 88 -8.559 -25.327 11.024 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.964 -24.745 11.207 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.829 -24.994 10.040 1.00 0.00 N ATOM 1362 CZ ARG A 88 -11.959 -24.332 9.759 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -12.395 -23.356 10.549 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -12.644 -24.646 8.678 1.00 0.00 N ATOM 0 H ARG A 88 -6.226 -23.920 11.448 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.208 -26.208 9.689 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.935 -23.677 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.319 -25.136 8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.629 -26.411 10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.966 -25.118 11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.422 -25.180 12.095 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.890 -23.671 11.379 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.544 -25.730 9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.867 -23.101 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.258 -22.862 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.313 -25.389 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.505 -24.147 8.457 1.00 0.00 H new ATOM 1378 N GLU A 89 -5.526 -23.215 8.413 1.00 0.00 N ATOM 1379 CA GLU A 89 -5.015 -22.457 7.253 1.00 0.00 C ATOM 1380 C GLU A 89 -3.564 -22.817 6.924 1.00 0.00 C ATOM 1381 O GLU A 89 -3.194 -22.893 5.750 1.00 0.00 O ATOM 1382 CB GLU A 89 -5.154 -20.935 7.528 1.00 0.00 C ATOM 1383 CG GLU A 89 -6.607 -20.445 7.635 1.00 0.00 C ATOM 1384 CD GLU A 89 -7.427 -20.597 6.337 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -7.969 -21.694 6.071 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.546 -19.616 5.573 1.00 0.00 O ATOM 0 H GLU A 89 -5.766 -22.617 9.204 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.612 -22.727 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.632 -20.695 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.655 -20.386 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.106 -20.996 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.603 -19.395 7.927 1.00 0.00 H new ATOM 1393 N ARG A 90 -2.758 -23.041 7.976 1.00 0.00 N ATOM 1394 CA ARG A 90 -1.347 -23.475 7.812 1.00 0.00 C ATOM 1395 C ARG A 90 -1.256 -24.883 7.175 1.00 0.00 C ATOM 1396 O ARG A 90 -0.267 -25.208 6.510 1.00 0.00 O ATOM 1397 CB ARG A 90 -0.559 -23.421 9.153 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.764 -24.634 10.084 1.00 0.00 C ATOM 1399 CD ARG A 90 0.050 -24.549 11.382 1.00 0.00 C ATOM 1400 NE ARG A 90 0.102 -25.861 12.055 1.00 0.00 N ATOM 1401 CZ ARG A 90 -0.442 -26.154 13.237 1.00 0.00 C ATOM 1402 NH1 ARG A 90 -1.030 -25.218 13.966 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.380 -27.391 13.695 1.00 0.00 N ATOM 0 H ARG A 90 -3.051 -22.931 8.947 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.879 -22.766 7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.504 -23.331 8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.849 -22.518 9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.822 -24.718 10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.489 -25.543 9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.062 -24.209 11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.396 -23.811 12.049 1.00 0.00 H new ATOM 0 HE ARG A 90 0.598 -26.611 11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.071 -24.257 13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.442 -25.458 14.868 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.082 -28.116 13.146 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.794 -27.622 14.598 1.00 0.00 H new ATOM 1417 N ARG A 91 -2.286 -25.718 7.412 1.00 0.00 N ATOM 1418 CA ARG A 91 -2.379 -27.067 6.821 1.00 0.00 C ATOM 1419 C ARG A 91 -2.550 -26.979 5.291 1.00 0.00 C ATOM 1420 O ARG A 91 -1.899 -27.719 4.542 1.00 0.00 O ATOM 1421 CB ARG A 91 -3.561 -27.856 7.442 1.00 0.00 C ATOM 1422 CG ARG A 91 -3.788 -29.252 6.828 1.00 0.00 C ATOM 1423 CD ARG A 91 -5.027 -29.962 7.379 1.00 0.00 C ATOM 1424 NE ARG A 91 -5.158 -31.320 6.822 1.00 0.00 N ATOM 1425 CZ ARG A 91 -5.991 -32.267 7.273 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -6.785 -32.041 8.314 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -6.013 -33.448 6.683 1.00 0.00 N ATOM 0 H ARG A 91 -3.073 -25.478 8.015 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.452 -27.596 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.385 -27.967 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.473 -27.270 7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.885 -29.154 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.910 -29.871 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.964 -30.017 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.918 -29.381 7.140 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.565 -31.559 6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.766 -31.135 8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.413 -32.773 8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.399 -33.634 5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.644 -34.175 7.020 1.00 0.00 H new ATOM 1441 N PHE A 92 -3.435 -26.068 4.844 1.00 0.00 N ATOM 1442 CA PHE A 92 -3.689 -25.837 3.412 1.00 0.00 C ATOM 1443 C PHE A 92 -2.482 -25.152 2.749 1.00 0.00 C ATOM 1444 O PHE A 92 -2.107 -25.488 1.614 1.00 0.00 O ATOM 1445 CB PHE A 92 -4.965 -24.980 3.219 1.00 0.00 C ATOM 1446 CG PHE A 92 -6.240 -25.642 3.746 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -6.864 -26.665 3.031 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -6.808 -25.247 4.953 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -8.014 -27.264 3.512 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -7.956 -25.847 5.432 1.00 0.00 C ATOM 1451 CZ PHE A 92 -8.559 -26.855 4.711 1.00 0.00 C ATOM 0 H PHE A 92 -3.990 -25.476 5.462 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.842 -26.804 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.828 -24.023 3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.090 -24.766 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.444 -26.993 2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.343 -24.458 5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.486 -28.054 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.381 -25.526 6.372 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.457 -27.324 5.085 1.00 0.00 H new ATOM 1461 N ASP A 93 -1.875 -24.214 3.490 1.00 0.00 N ATOM 1462 CA ASP A 93 -0.767 -23.394 3.003 1.00 0.00 C ATOM 1463 C ASP A 93 -0.022 -22.790 4.213 1.00 0.00 C ATOM 1464 O ASP A 93 -0.504 -21.838 4.828 1.00 0.00 O ATOM 1465 CB ASP A 93 -1.311 -22.274 2.059 1.00 0.00 C ATOM 1466 CG ASP A 93 -0.230 -21.643 1.167 1.00 0.00 C ATOM 1467 OD1 ASP A 93 0.806 -21.197 1.687 1.00 0.00 O ATOM 1468 OD2 ASP A 93 -0.410 -21.587 -0.071 1.00 0.00 O ATOM 0 H ASP A 93 -2.145 -24.005 4.451 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.070 -24.006 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.094 -22.692 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.773 -21.493 2.664 1.00 0.00 H new ATOM 1473 N SER A 94 1.147 -23.368 4.548 1.00 0.00 N ATOM 1474 CA SER A 94 1.991 -22.943 5.690 1.00 0.00 C ATOM 1475 C SER A 94 2.805 -21.659 5.386 1.00 0.00 C ATOM 1476 O SER A 94 3.494 -21.133 6.273 1.00 0.00 O ATOM 1477 CB SER A 94 2.933 -24.109 6.090 1.00 0.00 C ATOM 1478 OG SER A 94 3.683 -23.815 7.264 1.00 0.00 O ATOM 0 H SER A 94 1.540 -24.153 4.029 1.00 0.00 H new ATOM 0 HA SER A 94 1.331 -22.697 6.521 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.343 -25.011 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.616 -24.320 5.268 1.00 0.00 H new ATOM 0 HG SER A 94 3.912 -22.862 7.276 1.00 0.00 H new ATOM 1484 N ASP A 95 2.714 -21.135 4.146 1.00 0.00 N ATOM 1485 CA ASP A 95 3.424 -19.896 3.748 1.00 0.00 C ATOM 1486 C ASP A 95 2.659 -18.618 4.144 1.00 0.00 C ATOM 1487 O ASP A 95 2.962 -17.530 3.636 1.00 0.00 O ATOM 1488 CB ASP A 95 3.750 -19.900 2.230 1.00 0.00 C ATOM 1489 CG ASP A 95 4.885 -20.869 1.876 1.00 0.00 C ATOM 1490 OD1 ASP A 95 6.049 -20.566 2.193 1.00 0.00 O ATOM 1491 OD2 ASP A 95 4.630 -21.946 1.311 1.00 0.00 O ATOM 0 H ASP A 95 2.155 -21.550 3.400 1.00 0.00 H new ATOM 0 HA ASP A 95 4.362 -19.885 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.855 -20.173 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.026 -18.893 1.918 1.00 0.00 H new ATOM 1496 N LEU A 96 1.700 -18.738 5.081 1.00 0.00 N ATOM 1497 CA LEU A 96 1.061 -17.565 5.699 1.00 0.00 C ATOM 1498 C LEU A 96 1.968 -16.983 6.804 1.00 0.00 C ATOM 1499 O LEU A 96 2.751 -17.707 7.436 1.00 0.00 O ATOM 1500 CB LEU A 96 -0.362 -17.870 6.274 1.00 0.00 C ATOM 1501 CG LEU A 96 -0.453 -18.676 7.618 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -1.880 -18.644 8.202 1.00 0.00 C ATOM 1503 CD2 LEU A 96 0.012 -20.122 7.439 1.00 0.00 C ATOM 0 H LEU A 96 1.353 -19.633 5.425 1.00 0.00 H new ATOM 0 HA LEU A 96 0.927 -16.830 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.875 -16.919 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.918 -18.420 5.515 1.00 0.00 H new ATOM 0 HG LEU A 96 0.217 -18.187 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.905 -19.212 9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.169 -17.612 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.575 -19.086 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.065 -20.649 8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.616 -20.617 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.048 -20.132 7.102 1.00 0.00 H new ATOM 1515 N TRP A 97 1.854 -15.665 7.005 1.00 0.00 N ATOM 1516 CA TRP A 97 2.563 -14.929 8.053 1.00 0.00 C ATOM 1517 C TRP A 97 1.552 -14.549 9.129 1.00 0.00 C ATOM 1518 O TRP A 97 0.550 -13.905 8.821 1.00 0.00 O ATOM 1519 CB TRP A 97 3.199 -13.639 7.467 1.00 0.00 C ATOM 1520 CG TRP A 97 4.303 -13.870 6.457 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.223 -14.542 5.267 1.00 0.00 C ATOM 1522 CD2 TRP A 97 5.644 -13.381 6.548 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.441 -14.534 4.643 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.329 -13.824 5.406 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.334 -12.628 7.504 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 7.664 -13.521 5.181 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 7.661 -12.330 7.284 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.317 -12.782 6.132 1.00 0.00 C ATOM 0 H TRP A 97 1.255 -15.071 6.432 1.00 0.00 H new ATOM 0 HA TRP A 97 3.356 -15.549 8.470 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.414 -13.047 6.996 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.598 -13.043 8.288 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.330 -15.009 4.878 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.653 -14.984 3.753 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.835 -12.286 8.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.171 -13.856 4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.202 -11.740 8.009 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.361 -12.543 5.990 1.00 0.00 H new ATOM 1539 N VAL A 98 1.818 -14.917 10.387 1.00 0.00 N ATOM 1540 CA VAL A 98 0.944 -14.555 11.509 1.00 0.00 C ATOM 1541 C VAL A 98 1.581 -13.406 12.284 1.00 0.00 C ATOM 1542 O VAL A 98 2.682 -13.545 12.810 1.00 0.00 O ATOM 1543 CB VAL A 98 0.625 -15.768 12.450 1.00 0.00 C ATOM 1544 CG1 VAL A 98 -0.237 -15.327 13.662 1.00 0.00 C ATOM 1545 CG2 VAL A 98 -0.074 -16.902 11.653 1.00 0.00 C ATOM 0 H VAL A 98 2.634 -15.467 10.655 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.016 -14.238 11.101 1.00 0.00 H new ATOM 0 HB VAL A 98 1.567 -16.152 12.840 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.442 -16.190 14.296 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.302 -14.574 14.237 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.178 -14.907 13.306 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.289 -17.737 12.320 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.006 -16.528 11.229 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.581 -17.239 10.850 1.00 0.00 H new ATOM 1555 N VAL A 99 0.886 -12.260 12.303 1.00 0.00 N ATOM 1556 CA VAL A 99 1.346 -11.045 13.000 1.00 0.00 C ATOM 1557 C VAL A 99 0.434 -10.791 14.199 1.00 0.00 C ATOM 1558 O VAL A 99 -0.772 -10.591 14.015 1.00 0.00 O ATOM 1559 CB VAL A 99 1.329 -9.772 12.056 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.208 -8.625 12.620 1.00 0.00 C ATOM 1561 CG2 VAL A 99 1.740 -10.143 10.616 1.00 0.00 C ATOM 0 H VAL A 99 -0.013 -12.147 11.835 1.00 0.00 H new ATOM 0 HA VAL A 99 2.376 -11.208 13.318 1.00 0.00 H new ATOM 0 HB VAL A 99 0.304 -9.402 12.025 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.170 -7.771 11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.835 -8.329 13.600 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.238 -8.968 12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.719 -9.251 9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.747 -10.560 10.621 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.044 -10.881 10.218 1.00 0.00 H new ATOM 1571 N GLU A 100 0.991 -10.811 15.418 1.00 0.00 N ATOM 1572 CA GLU A 100 0.247 -10.419 16.618 1.00 0.00 C ATOM 1573 C GLU A 100 0.342 -8.904 16.786 1.00 0.00 C ATOM 1574 O GLU A 100 1.389 -8.371 17.136 1.00 0.00 O ATOM 1575 CB GLU A 100 0.750 -11.167 17.890 1.00 0.00 C ATOM 1576 CG GLU A 100 2.273 -11.098 18.152 1.00 0.00 C ATOM 1577 CD GLU A 100 2.679 -11.572 19.556 1.00 0.00 C ATOM 1578 OE1 GLU A 100 2.350 -12.721 19.915 1.00 0.00 O ATOM 1579 OE2 GLU A 100 3.326 -10.806 20.311 1.00 0.00 O ATOM 0 H GLU A 100 1.954 -11.095 15.597 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.797 -10.705 16.493 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.232 -10.758 18.758 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.461 -12.215 17.811 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.789 -11.707 17.409 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.611 -10.071 18.013 1.00 0.00 H new ATOM 1586 N ILE A 101 -0.759 -8.214 16.475 1.00 0.00 N ATOM 1587 CA ILE A 101 -0.903 -6.772 16.705 1.00 0.00 C ATOM 1588 C ILE A 101 -1.883 -6.560 17.867 1.00 0.00 C ATOM 1589 O ILE A 101 -2.754 -7.397 18.097 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.378 -5.988 15.407 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -2.846 -6.332 14.997 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.415 -6.260 14.220 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.416 -5.468 13.884 1.00 0.00 C ATOM 0 H ILE A 101 -1.583 -8.643 16.053 1.00 0.00 H new ATOM 0 HA ILE A 101 0.075 -6.363 16.957 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.354 -4.928 15.658 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.886 -7.375 14.684 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.485 -6.237 15.875 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.758 -5.714 13.341 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.590 -5.929 14.483 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.400 -7.328 14.001 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.438 -5.780 13.668 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.414 -4.424 14.197 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.806 -5.580 12.988 1.00 0.00 H new ATOM 1605 N GLU A 102 -1.712 -5.473 18.625 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.654 -5.082 19.682 1.00 0.00 C ATOM 1607 C GLU A 102 -3.120 -3.657 19.405 1.00 0.00 C ATOM 1608 O GLU A 102 -2.302 -2.741 19.326 1.00 0.00 O ATOM 1609 CB GLU A 102 -2.031 -5.174 21.102 1.00 0.00 C ATOM 1610 CG GLU A 102 -3.049 -4.868 22.227 1.00 0.00 C ATOM 1611 CD GLU A 102 -2.415 -4.754 23.617 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -2.006 -3.639 24.006 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -2.303 -5.778 24.321 1.00 0.00 O ATOM 0 H GLU A 102 -0.919 -4.839 18.525 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.494 -5.777 19.667 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.623 -6.174 21.250 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.197 -4.476 21.173 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.564 -3.936 21.995 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.804 -5.654 22.245 1.00 0.00 H new ATOM 1620 N THR A 103 -4.428 -3.496 19.254 1.00 0.00 N ATOM 1621 CA THR A 103 -5.061 -2.205 18.938 1.00 0.00 C ATOM 1622 C THR A 103 -6.575 -2.348 19.088 1.00 0.00 C ATOM 1623 O THR A 103 -7.083 -3.464 19.240 1.00 0.00 O ATOM 1624 CB THR A 103 -4.695 -1.685 17.494 1.00 0.00 C ATOM 1625 OG1 THR A 103 -5.279 -0.387 17.257 1.00 0.00 O ATOM 1626 CG2 THR A 103 -5.141 -2.666 16.392 1.00 0.00 C ATOM 0 H THR A 103 -5.095 -4.262 19.347 1.00 0.00 H new ATOM 0 HA THR A 103 -4.679 -1.461 19.637 1.00 0.00 H new ATOM 0 HB THR A 103 -3.609 -1.607 17.452 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.571 0.291 17.233 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.868 -2.265 15.416 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.649 -3.628 16.540 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.222 -2.800 16.440 1.00 0.00 H new ATOM 1634 N ASP A 104 -7.281 -1.219 19.114 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.751 -1.194 19.081 1.00 0.00 C ATOM 1636 C ASP A 104 -9.228 -0.824 17.665 1.00 0.00 C ATOM 1637 O ASP A 104 -10.202 -1.399 17.156 1.00 0.00 O ATOM 1638 CB ASP A 104 -9.314 -0.205 20.133 1.00 0.00 C ATOM 1639 CG ASP A 104 -10.852 -0.220 20.164 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -11.429 -1.206 20.674 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -11.493 0.731 19.662 1.00 0.00 O ATOM 0 H ASP A 104 -6.855 -0.293 19.159 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.127 -2.186 19.333 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.928 -0.464 21.119 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.965 0.803 19.908 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.515 0.128 17.022 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.860 0.626 15.674 1.00 0.00 C ATOM 1648 C GLU A 105 -7.987 -0.065 14.624 1.00 0.00 C ATOM 1649 O GLU A 105 -6.764 0.089 14.616 1.00 0.00 O ATOM 1650 CB GLU A 105 -8.752 2.177 15.602 1.00 0.00 C ATOM 1651 CG GLU A 105 -7.453 2.785 16.163 1.00 0.00 C ATOM 1652 CD GLU A 105 -7.506 4.318 16.219 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -7.232 4.979 15.195 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -7.861 4.872 17.279 1.00 0.00 O ATOM 0 H GLU A 105 -7.688 0.570 17.422 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.900 0.378 15.460 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.853 2.481 14.560 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.595 2.607 16.143 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.273 2.393 17.164 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.612 2.475 15.543 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.637 -0.862 13.762 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.959 -1.667 12.739 1.00 0.00 C ATOM 1663 C ILE A 106 -7.835 -0.892 11.413 1.00 0.00 C ATOM 1664 O ILE A 106 -6.796 -0.962 10.760 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.699 -3.039 12.510 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.881 -3.967 11.554 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -10.158 -2.851 12.020 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.551 -4.425 12.123 1.00 0.00 C ATOM 0 H ILE A 106 -9.652 -0.965 13.756 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.954 -1.880 13.104 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.763 -3.533 13.480 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.482 -4.844 11.314 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.701 -3.438 10.618 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.623 -3.827 11.878 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.721 -2.286 12.763 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.157 -2.308 11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -6.046 -5.064 11.399 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.928 -3.556 12.337 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.722 -4.984 13.043 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.874 -0.101 11.070 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.989 0.529 9.741 1.00 0.00 C ATOM 1682 C GLY A 107 -7.930 1.590 9.446 1.00 0.00 C ATOM 1683 O GLY A 107 -7.735 1.970 8.290 1.00 0.00 O ATOM 0 H GLY A 107 -9.647 0.116 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.928 -0.248 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.975 0.985 9.654 1.00 0.00 H new ATOM 1687 N THR A 108 -7.243 2.057 10.497 1.00 0.00 N ATOM 1688 CA THR A 108 -6.191 3.080 10.386 1.00 0.00 C ATOM 1689 C THR A 108 -4.811 2.453 10.076 1.00 0.00 C ATOM 1690 O THR A 108 -3.948 3.114 9.490 1.00 0.00 O ATOM 1691 CB THR A 108 -6.115 3.925 11.700 1.00 0.00 C ATOM 1692 OG1 THR A 108 -5.212 5.030 11.535 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.673 3.088 12.914 1.00 0.00 C ATOM 0 H THR A 108 -7.401 1.736 11.452 1.00 0.00 H new ATOM 0 HA THR A 108 -6.454 3.732 9.553 1.00 0.00 H new ATOM 0 HB THR A 108 -7.123 4.291 11.893 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.176 5.550 12.365 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.637 3.722 13.800 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.385 2.279 13.076 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.684 2.669 12.727 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.619 1.167 10.453 1.00 0.00 N ATOM 1702 CA LEU A 109 -3.295 0.495 10.417 1.00 0.00 C ATOM 1703 C LEU A 109 -3.288 -0.786 9.553 1.00 0.00 C ATOM 1704 O LEU A 109 -2.217 -1.302 9.239 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.805 0.232 11.882 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.881 -0.278 12.916 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -4.126 -1.794 12.825 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.522 0.132 14.362 1.00 0.00 C ATOM 0 H LEU A 109 -5.372 0.567 10.789 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.589 1.164 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.999 -0.500 11.843 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.377 1.157 12.267 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.815 0.213 12.643 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.876 -2.086 13.560 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.480 -2.046 11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.196 -2.326 13.025 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.287 -0.237 15.045 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.557 -0.296 14.632 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.469 1.219 14.430 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.474 -1.272 9.159 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.634 -2.442 8.273 1.00 0.00 C ATOM 1722 C LEU A 110 -5.974 -2.311 7.521 1.00 0.00 C ATOM 1723 O LEU A 110 -7.015 -2.071 8.148 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.600 -3.771 9.077 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.657 -5.080 8.222 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.425 -5.210 7.301 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.838 -6.334 9.111 1.00 0.00 C ATOM 0 H LEU A 110 -5.362 -0.861 9.448 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.805 -2.467 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.690 -3.789 9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.439 -3.776 9.772 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.535 -5.009 7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.499 -6.131 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.386 -4.357 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.519 -5.234 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.873 -7.224 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.001 -6.412 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.768 -6.250 9.673 1.00 0.00 H new ATOM 1739 N THR A 111 -5.949 -2.476 6.190 1.00 0.00 N ATOM 1740 CA THR A 111 -7.136 -2.268 5.339 1.00 0.00 C ATOM 1741 C THR A 111 -7.938 -3.573 5.168 1.00 0.00 C ATOM 1742 O THR A 111 -7.364 -4.619 4.846 1.00 0.00 O ATOM 1743 CB THR A 111 -6.738 -1.724 3.935 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.797 -0.661 4.087 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.975 -1.213 3.173 1.00 0.00 C ATOM 0 H THR A 111 -5.114 -2.755 5.674 1.00 0.00 H new ATOM 0 HA THR A 111 -7.760 -1.530 5.843 1.00 0.00 H new ATOM 0 HB THR A 111 -6.291 -2.536 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.544 -0.319 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.671 -0.838 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.686 -2.029 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.445 -0.409 3.740 1.00 0.00 H new ATOM 1753 N LEU A 112 -9.273 -3.485 5.356 1.00 0.00 N ATOM 1754 CA LEU A 112 -10.197 -4.638 5.272 1.00 0.00 C ATOM 1755 C LEU A 112 -11.342 -4.343 4.297 1.00 0.00 C ATOM 1756 O LEU A 112 -11.812 -3.208 4.212 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.770 -4.952 6.674 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.696 -5.265 7.759 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -10.278 -5.169 9.161 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -9.032 -6.632 7.518 1.00 0.00 C ATOM 0 H LEU A 112 -9.743 -2.606 5.572 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.643 -5.502 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.367 -4.103 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.445 -5.804 6.594 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.918 -4.506 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.502 -5.393 9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.656 -4.161 9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.094 -5.884 9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.289 -6.817 8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.790 -7.415 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.546 -6.634 6.542 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.767 -5.379 3.560 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.920 -5.328 2.643 1.00 0.00 C ATOM 1774 C VAL A 113 -14.234 -5.513 3.428 1.00 0.00 C ATOM 1775 O VAL A 113 -15.297 -5.083 2.979 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.820 -6.439 1.511 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -11.643 -6.171 0.550 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.692 -7.860 2.112 1.00 0.00 C ATOM 0 H VAL A 113 -11.313 -6.292 3.583 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.912 -4.350 2.163 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.749 -6.385 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.608 -6.952 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.780 -5.203 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.708 -6.169 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.626 -8.591 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.794 -7.915 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.566 -8.075 2.727 1.00 0.00 H new ATOM 1788 N ASP A 114 -14.135 -6.148 4.612 1.00 0.00 N ATOM 1789 CA ASP A 114 -15.301 -6.575 5.400 1.00 0.00 C ATOM 1790 C ASP A 114 -15.688 -5.515 6.456 1.00 0.00 C ATOM 1791 O ASP A 114 -16.813 -4.998 6.443 1.00 0.00 O ATOM 1792 CB ASP A 114 -15.003 -7.943 6.065 1.00 0.00 C ATOM 1793 CG ASP A 114 -16.207 -8.498 6.840 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -17.261 -8.748 6.208 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -16.121 -8.658 8.078 1.00 0.00 O ATOM 0 H ASP A 114 -13.242 -6.378 5.047 1.00 0.00 H new ATOM 0 HA ASP A 114 -16.154 -6.684 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.708 -8.659 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -14.157 -7.836 6.744 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.743 -5.208 7.365 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.936 -4.210 8.448 1.00 0.00 C ATOM 1802 C GLN A 115 -14.981 -2.759 7.883 1.00 0.00 C ATOM 1803 O GLN A 115 -14.597 -2.554 6.720 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.793 -4.360 9.498 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.864 -5.641 10.353 1.00 0.00 C ATOM 1806 CD GLN A 115 -15.039 -5.674 11.335 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -16.122 -6.160 11.022 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -14.830 -5.149 12.535 1.00 0.00 N ATOM 0 H GLN A 115 -13.820 -5.643 7.374 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.896 -4.398 8.929 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.836 -4.340 8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.813 -3.496 10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.934 -6.504 9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.934 -5.743 10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.919 -4.752 12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.580 -5.142 13.226 1.00 0.00 H new