USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.174 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -7.03! C(o=-7.4!,f=-11!) USER MOD Set 2.2: A 71 SER OG : rot -117:sc= -0.383 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0314 F(o=-2.9!,f=-0.031) USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= -0.56 (180deg=-0.768) USER MOD Single : A 62 SER OG : rot 180:sc= 0.542 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00483 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 4.843 -8.415 -4.016 1.00 0.00 N ATOM 64 CA HIS A 3 4.044 -8.038 -5.218 1.00 0.00 C ATOM 65 C HIS A 3 3.737 -6.538 -5.194 1.00 0.00 C ATOM 66 O HIS A 3 2.592 -6.131 -5.208 1.00 0.00 O ATOM 67 CB HIS A 3 2.732 -8.827 -5.238 1.00 0.00 C ATOM 68 CG HIS A 3 3.027 -10.294 -5.084 1.00 0.00 C ATOM 69 ND1 HIS A 3 3.730 -11.012 -6.042 1.00 0.00 N ATOM 70 CD2 HIS A 3 2.721 -11.193 -4.092 1.00 0.00 C ATOM 71 CE1 HIS A 3 3.822 -12.284 -5.609 1.00 0.00 C ATOM 72 NE2 HIS A 3 3.224 -12.445 -4.428 1.00 0.00 N ATOM 0 HA HIS A 3 4.621 -8.272 -6.112 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.080 -8.490 -4.432 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.202 -8.648 -6.173 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.174 -10.963 -3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.318 -13.075 -6.151 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.151 -13.306 -3.885 1.00 0.00 H new ATOM 81 N ALA A 4 4.747 -5.711 -5.162 1.00 0.00 N ATOM 82 CA ALA A 4 4.501 -4.240 -5.142 1.00 0.00 C ATOM 83 C ALA A 4 3.744 -3.831 -6.407 1.00 0.00 C ATOM 84 O ALA A 4 2.926 -2.932 -6.389 1.00 0.00 O ATOM 85 CB ALA A 4 5.837 -3.495 -5.099 1.00 0.00 C ATOM 0 H ALA A 4 5.728 -5.989 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 4 3.911 -3.988 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.654 -2.421 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.385 -3.782 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.425 -3.751 -5.980 1.00 0.00 H new ATOM 91 N SER A 5 4.015 -4.480 -7.508 1.00 0.00 N ATOM 92 CA SER A 5 3.318 -4.123 -8.775 1.00 0.00 C ATOM 93 C SER A 5 1.807 -4.276 -8.598 1.00 0.00 C ATOM 94 O SER A 5 1.031 -3.485 -9.098 1.00 0.00 O ATOM 95 CB SER A 5 3.795 -5.048 -9.896 1.00 0.00 C ATOM 96 OG SER A 5 3.267 -4.595 -11.135 1.00 0.00 O ATOM 0 H SER A 5 4.689 -5.242 -7.583 1.00 0.00 H new ATOM 0 HA SER A 5 3.546 -3.088 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.884 -5.060 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.471 -6.071 -9.702 1.00 0.00 H new ATOM 0 HG SER A 5 3.572 -5.185 -11.856 1.00 0.00 H new ATOM 102 N VAL A 6 1.380 -5.284 -7.892 1.00 0.00 N ATOM 103 CA VAL A 6 -0.083 -5.479 -7.687 1.00 0.00 C ATOM 104 C VAL A 6 -0.644 -4.302 -6.890 1.00 0.00 C ATOM 105 O VAL A 6 -1.662 -3.731 -7.231 1.00 0.00 O ATOM 106 CB VAL A 6 -0.319 -6.778 -6.919 1.00 0.00 C ATOM 107 CG1 VAL A 6 -1.797 -6.890 -6.546 1.00 0.00 C ATOM 108 CG2 VAL A 6 0.077 -7.968 -7.795 1.00 0.00 C ATOM 0 H VAL A 6 1.979 -5.981 -7.448 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.584 -5.534 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 6 0.285 -6.777 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.965 -7.817 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.080 -6.043 -5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.402 -6.890 -7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.091 -8.895 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.526 -7.968 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.131 -7.890 -8.060 1.00 0.00 H new ATOM 118 N ILE A 7 0.025 -3.929 -5.837 1.00 0.00 N ATOM 119 CA ILE A 7 -0.450 -2.783 -5.014 1.00 0.00 C ATOM 120 C ILE A 7 -0.470 -1.523 -5.881 1.00 0.00 C ATOM 121 O ILE A 7 -1.426 -0.768 -5.889 1.00 0.00 O ATOM 122 CB ILE A 7 0.515 -2.579 -3.845 1.00 0.00 C ATOM 123 CG1 ILE A 7 0.583 -3.865 -3.015 1.00 0.00 C ATOM 124 CG2 ILE A 7 0.019 -1.428 -2.968 1.00 0.00 C ATOM 125 CD1 ILE A 7 1.731 -3.773 -2.004 1.00 0.00 C ATOM 0 H ILE A 7 0.884 -4.370 -5.509 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.452 -2.983 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 7 1.507 -2.339 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.361 -4.022 -2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.732 -4.724 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.707 -1.283 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.031 -0.515 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.973 -1.665 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.774 -4.691 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.673 -3.638 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.564 -2.925 -1.340 1.00 0.00 H new ATOM 137 N ALA A 8 0.583 -1.300 -6.616 1.00 0.00 N ATOM 138 CA ALA A 8 0.647 -0.102 -7.494 1.00 0.00 C ATOM 139 C ALA A 8 -0.468 -0.181 -8.539 1.00 0.00 C ATOM 140 O ALA A 8 -1.037 0.816 -8.935 1.00 0.00 O ATOM 141 CB ALA A 8 2.005 -0.063 -8.198 1.00 0.00 C ATOM 0 H ALA A 8 1.407 -1.901 -6.645 1.00 0.00 H new ATOM 0 HA ALA A 8 0.521 0.800 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.055 0.814 -8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.799 -0.012 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.129 -0.963 -8.800 1.00 0.00 H new ATOM 147 N GLN A 9 -0.776 -1.361 -8.998 1.00 0.00 N ATOM 148 CA GLN A 9 -1.846 -1.506 -10.023 1.00 0.00 C ATOM 149 C GLN A 9 -3.189 -1.026 -9.465 1.00 0.00 C ATOM 150 O GLN A 9 -3.951 -0.372 -10.146 1.00 0.00 O ATOM 151 CB GLN A 9 -1.963 -2.975 -10.432 1.00 0.00 C ATOM 152 CG GLN A 9 -2.921 -3.101 -11.617 1.00 0.00 C ATOM 153 CD GLN A 9 -3.119 -4.578 -11.960 1.00 0.00 C ATOM 154 OE1 GLN A 9 -2.260 -5.195 -12.559 1.00 0.00 O ATOM 155 NE2 GLN A 9 -4.223 -5.177 -11.604 1.00 0.00 N ATOM 0 H GLN A 9 -0.333 -2.232 -8.707 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.587 -0.899 -10.890 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.982 -3.368 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.326 -3.569 -9.593 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.879 -2.642 -11.374 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.522 -2.567 -12.479 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.944 -4.660 -11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.364 -6.162 -11.829 1.00 0.00 H new ATOM 164 N PHE A 10 -3.497 -1.352 -8.240 1.00 0.00 N ATOM 165 CA PHE A 10 -4.806 -0.914 -7.671 1.00 0.00 C ATOM 166 C PHE A 10 -4.843 0.601 -7.482 1.00 0.00 C ATOM 167 O PHE A 10 -5.770 1.262 -7.903 1.00 0.00 O ATOM 168 CB PHE A 10 -5.038 -1.574 -6.312 1.00 0.00 C ATOM 169 CG PHE A 10 -5.461 -3.013 -6.484 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.769 -3.312 -6.883 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.556 -4.046 -6.221 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.172 -4.645 -7.020 1.00 0.00 C ATOM 173 CE2 PHE A 10 -4.958 -5.380 -6.363 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.267 -5.679 -6.761 1.00 0.00 C ATOM 0 H PHE A 10 -2.906 -1.897 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.585 -1.211 -8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.125 -1.526 -5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.804 -1.027 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.467 -2.513 -7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.548 -3.815 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.182 -4.875 -7.326 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.258 -6.179 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.577 -6.708 -6.868 1.00 0.00 H new ATOM 184 N VAL A 11 -3.854 1.162 -6.845 1.00 0.00 N ATOM 185 CA VAL A 11 -3.868 2.634 -6.631 1.00 0.00 C ATOM 186 C VAL A 11 -3.749 3.340 -7.980 1.00 0.00 C ATOM 187 O VAL A 11 -4.388 4.344 -8.224 1.00 0.00 O ATOM 188 CB VAL A 11 -2.701 3.035 -5.729 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.863 2.375 -4.358 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.390 2.576 -6.362 1.00 0.00 C ATOM 0 H VAL A 11 -3.044 0.670 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.802 2.925 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.690 4.118 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.030 2.662 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.799 2.701 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.875 1.291 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.557 2.861 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.403 1.493 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.273 3.046 -7.338 1.00 0.00 H new ATOM 200 N VAL A 12 -2.945 2.819 -8.863 1.00 0.00 N ATOM 201 CA VAL A 12 -2.800 3.459 -10.197 1.00 0.00 C ATOM 202 C VAL A 12 -4.142 3.401 -10.932 1.00 0.00 C ATOM 203 O VAL A 12 -4.596 4.376 -11.495 1.00 0.00 O ATOM 204 CB VAL A 12 -1.736 2.713 -11.003 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.659 3.286 -12.420 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.376 2.872 -10.319 1.00 0.00 C ATOM 0 H VAL A 12 -2.384 1.980 -8.718 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.497 4.499 -10.078 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.002 1.657 -11.056 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.899 2.750 -12.988 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.626 3.174 -12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.397 4.343 -12.371 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.384 2.341 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.117 3.929 -10.266 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.425 2.459 -9.311 1.00 0.00 H new ATOM 216 N GLU A 13 -4.785 2.264 -10.926 1.00 0.00 N ATOM 217 CA GLU A 13 -6.098 2.141 -11.619 1.00 0.00 C ATOM 218 C GLU A 13 -7.190 2.826 -10.799 1.00 0.00 C ATOM 219 O GLU A 13 -8.268 3.100 -11.286 1.00 0.00 O ATOM 220 CB GLU A 13 -6.434 0.664 -11.790 1.00 0.00 C ATOM 221 CG GLU A 13 -5.437 0.027 -12.753 1.00 0.00 C ATOM 222 CD GLU A 13 -5.815 -1.435 -12.991 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.697 -1.919 -12.302 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.215 -2.048 -13.860 1.00 0.00 O ATOM 0 H GLU A 13 -4.456 1.413 -10.469 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.039 2.622 -12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.399 0.158 -10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.449 0.552 -12.173 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.431 0.570 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.429 0.090 -12.343 1.00 0.00 H new ATOM 231 N GLU A 14 -6.927 3.084 -9.550 1.00 0.00 N ATOM 232 CA GLU A 14 -7.957 3.730 -8.687 1.00 0.00 C ATOM 233 C GLU A 14 -8.280 5.136 -9.201 1.00 0.00 C ATOM 234 O GLU A 14 -9.400 5.596 -9.094 1.00 0.00 O ATOM 235 CB GLU A 14 -7.435 3.824 -7.253 1.00 0.00 C ATOM 236 CG GLU A 14 -8.549 4.337 -6.336 1.00 0.00 C ATOM 237 CD GLU A 14 -7.997 4.535 -4.923 1.00 0.00 C ATOM 238 OE1 GLU A 14 -6.815 4.299 -4.731 1.00 0.00 O ATOM 239 OE2 GLU A 14 -8.766 4.919 -4.057 1.00 0.00 O ATOM 0 H GLU A 14 -6.042 2.876 -9.087 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.864 3.127 -8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.092 2.846 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.577 4.495 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.945 5.278 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.376 3.627 -6.319 1.00 0.00 H new ATOM 246 N PHE A 15 -7.321 5.830 -9.750 1.00 0.00 N ATOM 247 CA PHE A 15 -7.608 7.205 -10.251 1.00 0.00 C ATOM 248 C PHE A 15 -6.634 7.581 -11.371 1.00 0.00 C ATOM 249 O PHE A 15 -6.886 8.492 -12.136 1.00 0.00 O ATOM 250 CB PHE A 15 -7.465 8.202 -9.098 1.00 0.00 C ATOM 251 CG PHE A 15 -7.895 9.574 -9.562 1.00 0.00 C ATOM 252 CD1 PHE A 15 -9.251 9.925 -9.545 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.939 10.493 -10.009 1.00 0.00 C ATOM 254 CE1 PHE A 15 -9.649 11.197 -9.973 1.00 0.00 C ATOM 255 CE2 PHE A 15 -7.338 11.765 -10.438 1.00 0.00 C ATOM 256 CZ PHE A 15 -8.693 12.117 -10.421 1.00 0.00 C ATOM 0 H PHE A 15 -6.361 5.509 -9.873 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.624 7.233 -10.645 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.074 7.885 -8.252 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.431 8.230 -8.754 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.989 9.215 -9.202 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.894 10.221 -10.023 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.694 11.469 -9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.600 12.475 -10.782 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.001 13.097 -10.753 1.00 0.00 H new ATOM 266 N LEU A 16 -5.522 6.902 -11.470 1.00 0.00 N ATOM 267 CA LEU A 16 -4.534 7.234 -12.535 1.00 0.00 C ATOM 268 C LEU A 16 -4.289 6.007 -13.417 1.00 0.00 C ATOM 269 O LEU A 16 -3.310 5.307 -13.260 1.00 0.00 O ATOM 270 CB LEU A 16 -3.220 7.650 -11.873 1.00 0.00 C ATOM 271 CG LEU A 16 -3.218 9.162 -11.650 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.262 9.509 -10.508 1.00 0.00 C ATOM 273 CD2 LEU A 16 -2.759 9.868 -12.930 1.00 0.00 C ATOM 0 H LEU A 16 -5.256 6.131 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.919 8.046 -13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.099 7.131 -10.922 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.377 7.363 -12.502 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.225 9.491 -11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.261 10.587 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.588 9.008 -9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.255 9.179 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.758 10.946 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.752 9.538 -13.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.440 9.623 -13.745 1.00 0.00 H new ATOM 285 N PRO A 17 -5.177 5.749 -14.340 1.00 0.00 N ATOM 286 CA PRO A 17 -5.062 4.587 -15.263 1.00 0.00 C ATOM 287 C PRO A 17 -4.090 4.847 -16.421 1.00 0.00 C ATOM 288 O PRO A 17 -3.643 3.932 -17.084 1.00 0.00 O ATOM 289 CB PRO A 17 -6.485 4.403 -15.788 1.00 0.00 C ATOM 290 CG PRO A 17 -7.129 5.750 -15.692 1.00 0.00 C ATOM 291 CD PRO A 17 -6.391 6.536 -14.605 1.00 0.00 C ATOM 0 HA PRO A 17 -4.665 3.708 -14.756 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.479 4.044 -16.817 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.028 3.666 -15.197 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.072 6.271 -16.648 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.186 5.653 -15.444 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.145 7.543 -14.941 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.000 6.640 -13.707 1.00 0.00 H new ATOM 299 N ASP A 18 -3.767 6.086 -16.675 1.00 0.00 N ATOM 300 CA ASP A 18 -2.836 6.399 -17.792 1.00 0.00 C ATOM 301 C ASP A 18 -1.390 6.406 -17.288 1.00 0.00 C ATOM 302 O ASP A 18 -0.483 6.810 -17.989 1.00 0.00 O ATOM 303 CB ASP A 18 -3.191 7.770 -18.369 1.00 0.00 C ATOM 304 CG ASP A 18 -2.973 8.852 -17.310 1.00 0.00 C ATOM 305 OD1 ASP A 18 -2.346 8.556 -16.308 1.00 0.00 O ATOM 306 OD2 ASP A 18 -3.437 9.961 -17.521 1.00 0.00 O ATOM 0 H ASP A 18 -4.109 6.895 -16.156 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.931 5.638 -18.566 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.575 7.976 -19.245 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.229 7.777 -18.701 1.00 0.00 H new ATOM 311 N VAL A 19 -1.165 5.959 -16.079 1.00 0.00 N ATOM 312 CA VAL A 19 0.227 5.936 -15.534 1.00 0.00 C ATOM 313 C VAL A 19 0.696 4.487 -15.390 1.00 0.00 C ATOM 314 O VAL A 19 -0.029 3.631 -14.925 1.00 0.00 O ATOM 315 CB VAL A 19 0.255 6.617 -14.165 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.680 6.580 -13.608 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.191 8.073 -14.311 1.00 0.00 C ATOM 0 H VAL A 19 -1.884 5.609 -15.446 1.00 0.00 H new ATOM 0 HA VAL A 19 0.890 6.468 -16.217 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.418 6.094 -13.486 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.702 7.065 -12.632 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.004 5.544 -13.506 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.351 7.104 -14.289 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.171 8.559 -13.336 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.484 8.594 -14.990 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.204 8.105 -14.712 1.00 0.00 H new ATOM 327 N ALA A 20 1.907 4.207 -15.789 1.00 0.00 N ATOM 328 CA ALA A 20 2.426 2.815 -15.679 1.00 0.00 C ATOM 329 C ALA A 20 2.843 2.537 -14.223 1.00 0.00 C ATOM 330 O ALA A 20 3.745 3.173 -13.714 1.00 0.00 O ATOM 331 CB ALA A 20 3.654 2.673 -16.580 1.00 0.00 C ATOM 0 H ALA A 20 2.559 4.883 -16.187 1.00 0.00 H new ATOM 0 HA ALA A 20 1.652 2.109 -15.981 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.043 1.657 -16.508 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.374 2.882 -17.613 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.422 3.379 -16.263 1.00 0.00 H new ATOM 337 N PRO A 21 2.217 1.595 -13.549 1.00 0.00 N ATOM 338 CA PRO A 21 2.581 1.265 -12.141 1.00 0.00 C ATOM 339 C PRO A 21 4.082 1.001 -11.988 1.00 0.00 C ATOM 340 O PRO A 21 4.685 1.347 -10.992 1.00 0.00 O ATOM 341 CB PRO A 21 1.790 -0.007 -11.831 1.00 0.00 C ATOM 342 CG PRO A 21 0.660 -0.035 -12.805 1.00 0.00 C ATOM 343 CD PRO A 21 1.106 0.756 -14.035 1.00 0.00 C ATOM 0 HA PRO A 21 2.351 2.089 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.417 -0.892 -11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.421 0.003 -10.805 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.411 -1.061 -13.076 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.236 0.406 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.430 0.093 -14.837 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.293 1.364 -14.432 1.00 0.00 H new ATOM 351 N ALA A 22 4.690 0.398 -12.974 1.00 0.00 N ATOM 352 CA ALA A 22 6.150 0.122 -12.891 1.00 0.00 C ATOM 353 C ALA A 22 6.906 1.450 -12.887 1.00 0.00 C ATOM 354 O ALA A 22 8.023 1.544 -12.417 1.00 0.00 O ATOM 355 CB ALA A 22 6.583 -0.711 -14.099 1.00 0.00 C ATOM 0 H ALA A 22 4.237 0.085 -13.833 1.00 0.00 H new ATOM 0 HA ALA A 22 6.370 -0.431 -11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.652 -0.913 -14.037 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.036 -1.654 -14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.370 -0.161 -15.016 1.00 0.00 H new ATOM 361 N ASP A 23 6.301 2.479 -13.414 1.00 0.00 N ATOM 362 CA ASP A 23 6.972 3.807 -13.453 1.00 0.00 C ATOM 363 C ASP A 23 6.747 4.539 -12.128 1.00 0.00 C ATOM 364 O ASP A 23 7.090 5.695 -11.982 1.00 0.00 O ATOM 365 CB ASP A 23 6.397 4.634 -14.605 1.00 0.00 C ATOM 366 CG ASP A 23 6.838 4.028 -15.939 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.684 3.149 -15.915 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.325 4.455 -16.960 1.00 0.00 O ATOM 0 H ASP A 23 5.366 2.456 -13.821 1.00 0.00 H new ATOM 0 HA ASP A 23 8.042 3.668 -13.606 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.309 4.654 -14.545 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.739 5.666 -14.532 1.00 0.00 H new ATOM 373 N VAL A 24 6.173 3.877 -11.159 1.00 0.00 N ATOM 374 CA VAL A 24 5.931 4.542 -9.847 1.00 0.00 C ATOM 375 C VAL A 24 6.994 4.089 -8.849 1.00 0.00 C ATOM 376 O VAL A 24 7.269 2.912 -8.717 1.00 0.00 O ATOM 377 CB VAL A 24 4.558 4.141 -9.313 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.193 5.028 -8.122 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.509 4.304 -10.416 1.00 0.00 C ATOM 0 H VAL A 24 5.862 2.907 -11.219 1.00 0.00 H new ATOM 0 HA VAL A 24 5.975 5.623 -9.980 1.00 0.00 H new ATOM 0 HB VAL A 24 4.585 3.099 -8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.213 4.741 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.938 4.906 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.168 6.071 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.530 4.017 -10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.481 5.344 -10.741 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.768 3.667 -11.262 1.00 0.00 H new ATOM 389 N ASP A 25 7.591 5.004 -8.140 1.00 0.00 N ATOM 390 CA ASP A 25 8.626 4.603 -7.150 1.00 0.00 C ATOM 391 C ASP A 25 7.954 4.321 -5.805 1.00 0.00 C ATOM 392 O ASP A 25 7.337 5.186 -5.215 1.00 0.00 O ATOM 393 CB ASP A 25 9.637 5.740 -6.986 1.00 0.00 C ATOM 394 CG ASP A 25 10.791 5.273 -6.097 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.759 4.130 -5.671 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.684 6.067 -5.855 1.00 0.00 O ATOM 0 H ASP A 25 7.409 6.006 -8.202 1.00 0.00 H new ATOM 0 HA ASP A 25 9.140 3.706 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.016 6.047 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.153 6.611 -6.544 1.00 0.00 H new ATOM 401 N VAL A 26 8.072 3.120 -5.312 1.00 0.00 N ATOM 402 CA VAL A 26 7.445 2.787 -4.006 1.00 0.00 C ATOM 403 C VAL A 26 8.183 3.522 -2.884 1.00 0.00 C ATOM 404 O VAL A 26 7.887 3.348 -1.719 1.00 0.00 O ATOM 405 CB VAL A 26 7.537 1.276 -3.780 1.00 0.00 C ATOM 406 CG1 VAL A 26 8.808 0.944 -2.995 1.00 0.00 C ATOM 407 CG2 VAL A 26 6.315 0.810 -2.995 1.00 0.00 C ATOM 0 H VAL A 26 8.577 2.354 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 26 6.399 3.094 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 26 7.571 0.767 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.867 -0.133 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.680 1.277 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.783 1.451 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.376 -0.266 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.283 1.322 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.411 1.041 -3.559 1.00 0.00 H new ATOM 417 N ASP A 27 9.134 4.349 -3.225 1.00 0.00 N ATOM 418 CA ASP A 27 9.882 5.098 -2.180 1.00 0.00 C ATOM 419 C ASP A 27 9.247 6.475 -1.996 1.00 0.00 C ATOM 420 O ASP A 27 9.653 7.252 -1.154 1.00 0.00 O ATOM 421 CB ASP A 27 11.336 5.257 -2.621 1.00 0.00 C ATOM 422 CG ASP A 27 12.019 3.888 -2.632 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.441 2.955 -2.100 1.00 0.00 O ATOM 424 OD2 ASP A 27 13.110 3.797 -3.172 1.00 0.00 O ATOM 0 H ASP A 27 9.424 4.537 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 27 9.846 4.554 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.379 5.705 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.861 5.931 -1.944 1.00 0.00 H new ATOM 429 N LEU A 28 8.249 6.780 -2.776 1.00 0.00 N ATOM 430 CA LEU A 28 7.577 8.101 -2.650 1.00 0.00 C ATOM 431 C LEU A 28 6.296 7.929 -1.840 1.00 0.00 C ATOM 432 O LEU A 28 5.551 6.990 -2.034 1.00 0.00 O ATOM 433 CB LEU A 28 7.235 8.633 -4.043 1.00 0.00 C ATOM 434 CG LEU A 28 6.628 10.035 -3.926 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.699 11.026 -3.459 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.096 10.472 -5.293 1.00 0.00 C ATOM 0 H LEU A 28 7.869 6.168 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 28 8.238 8.807 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.132 8.665 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.532 7.962 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 28 5.814 10.016 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.263 12.022 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.082 10.717 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.516 11.046 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.663 11.469 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.914 10.488 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.332 9.771 -5.627 1.00 0.00 H new ATOM 448 N ASP A 29 6.033 8.819 -0.926 1.00 0.00 N ATOM 449 CA ASP A 29 4.800 8.679 -0.109 1.00 0.00 C ATOM 450 C ASP A 29 3.585 8.669 -1.032 1.00 0.00 C ATOM 451 O ASP A 29 3.496 9.426 -1.980 1.00 0.00 O ATOM 452 CB ASP A 29 4.694 9.846 0.876 1.00 0.00 C ATOM 453 CG ASP A 29 5.830 9.759 1.896 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.467 8.721 1.957 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.044 10.734 2.598 1.00 0.00 O ATOM 0 H ASP A 29 6.613 9.630 -0.711 1.00 0.00 H new ATOM 0 HA ASP A 29 4.839 7.746 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.745 10.794 0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.731 9.819 1.386 1.00 0.00 H new ATOM 460 N LEU A 30 2.660 7.796 -0.768 1.00 0.00 N ATOM 461 CA LEU A 30 1.449 7.691 -1.620 1.00 0.00 C ATOM 462 C LEU A 30 0.575 8.937 -1.459 1.00 0.00 C ATOM 463 O LEU A 30 -0.043 9.397 -2.398 1.00 0.00 O ATOM 464 CB LEU A 30 0.659 6.457 -1.190 1.00 0.00 C ATOM 465 CG LEU A 30 -0.076 5.876 -2.394 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.762 4.573 -1.985 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.120 6.877 -2.889 1.00 0.00 C ATOM 0 H LEU A 30 2.692 7.141 0.013 1.00 0.00 H new ATOM 0 HA LEU A 30 1.746 7.607 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.332 5.711 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.054 6.723 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 30 0.635 5.676 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.289 4.154 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.013 3.862 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.474 4.772 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.644 6.461 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.835 7.081 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.626 7.804 -3.179 1.00 0.00 H new ATOM 479 N VAL A 31 0.499 9.475 -0.275 1.00 0.00 N ATOM 480 CA VAL A 31 -0.356 10.677 -0.058 1.00 0.00 C ATOM 481 C VAL A 31 0.180 11.867 -0.852 1.00 0.00 C ATOM 482 O VAL A 31 -0.576 12.677 -1.350 1.00 0.00 O ATOM 483 CB VAL A 31 -0.388 11.029 1.422 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.134 12.350 1.602 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.115 9.920 2.183 1.00 0.00 C ATOM 0 H VAL A 31 0.991 9.136 0.552 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.365 10.449 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 31 0.627 11.128 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.162 12.611 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.621 13.136 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.152 12.247 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.142 10.165 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.133 9.827 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.588 8.976 2.042 1.00 0.00 H new ATOM 495 N ASP A 32 1.469 11.988 -0.978 1.00 0.00 N ATOM 496 CA ASP A 32 2.021 13.137 -1.745 1.00 0.00 C ATOM 497 C ASP A 32 1.344 13.166 -3.112 1.00 0.00 C ATOM 498 O ASP A 32 1.104 14.211 -3.683 1.00 0.00 O ATOM 499 CB ASP A 32 3.532 12.965 -1.921 1.00 0.00 C ATOM 500 CG ASP A 32 4.225 13.118 -0.567 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.563 13.528 0.373 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.407 12.825 -0.492 1.00 0.00 O ATOM 0 H ASP A 32 2.160 11.348 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 32 1.836 14.069 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.750 11.984 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.914 13.707 -2.622 1.00 0.00 H new ATOM 507 N ASN A 33 1.027 12.015 -3.633 1.00 0.00 N ATOM 508 CA ASN A 33 0.354 11.946 -4.956 1.00 0.00 C ATOM 509 C ASN A 33 -1.089 12.446 -4.836 1.00 0.00 C ATOM 510 O ASN A 33 -1.627 13.043 -5.747 1.00 0.00 O ATOM 511 CB ASN A 33 0.339 10.495 -5.423 1.00 0.00 C ATOM 512 CG ASN A 33 1.760 10.053 -5.772 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.749 10.888 -5.610 1.00 0.00 O flip ATOM 514 ND2 ASN A 33 1.973 8.935 -6.198 1.00 0.00 N flip ATOM 0 H ASN A 33 1.207 11.112 -3.194 1.00 0.00 H new ATOM 0 HA ASN A 33 0.892 12.570 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.070 9.855 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.309 10.389 -6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.200 8.282 -6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.925 8.650 -6.429 1.00 0.00 H new ATOM 521 N GLY A 34 -1.722 12.192 -3.724 1.00 0.00 N ATOM 522 CA GLY A 34 -3.134 12.637 -3.552 1.00 0.00 C ATOM 523 C GLY A 34 -4.061 11.575 -4.136 1.00 0.00 C ATOM 524 O GLY A 34 -5.261 11.749 -4.206 1.00 0.00 O ATOM 0 H GLY A 34 -1.323 11.696 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.355 12.791 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.292 13.592 -4.053 1.00 0.00 H new ATOM 528 N VAL A 35 -3.508 10.467 -4.546 1.00 0.00 N ATOM 529 CA VAL A 35 -4.348 9.381 -5.117 1.00 0.00 C ATOM 530 C VAL A 35 -5.337 8.916 -4.051 1.00 0.00 C ATOM 531 O VAL A 35 -6.439 8.495 -4.350 1.00 0.00 O ATOM 532 CB VAL A 35 -3.457 8.210 -5.536 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.331 7.025 -5.951 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.583 8.636 -6.719 1.00 0.00 C ATOM 0 H VAL A 35 -2.508 10.268 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.888 9.748 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.823 7.918 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.696 6.191 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.956 6.722 -5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.965 7.316 -6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.947 7.804 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.219 8.927 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.960 9.481 -6.425 1.00 0.00 H new ATOM 544 N ILE A 36 -4.951 8.989 -2.807 1.00 0.00 N ATOM 545 CA ILE A 36 -5.865 8.552 -1.718 1.00 0.00 C ATOM 546 C ILE A 36 -6.644 9.755 -1.186 1.00 0.00 C ATOM 547 O ILE A 36 -6.091 10.796 -0.898 1.00 0.00 O ATOM 548 CB ILE A 36 -5.048 7.942 -0.578 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.245 6.753 -1.099 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.986 7.457 0.520 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.305 6.246 -0.002 1.00 0.00 C ATOM 0 H ILE A 36 -4.041 9.333 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.560 7.810 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.372 8.699 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.919 5.955 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.670 7.047 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.402 7.023 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.567 8.298 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.661 6.703 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.733 5.397 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.622 7.044 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.890 5.936 0.864 1.00 0.00 H new ATOM 563 N ASP A 37 -7.929 9.605 -1.050 1.00 0.00 N ATOM 564 CA ASP A 37 -8.775 10.715 -0.531 1.00 0.00 C ATOM 565 C ASP A 37 -9.808 10.130 0.433 1.00 0.00 C ATOM 566 O ASP A 37 -9.708 8.989 0.837 1.00 0.00 O ATOM 567 CB ASP A 37 -9.491 11.404 -1.697 1.00 0.00 C ATOM 568 CG ASP A 37 -10.160 12.686 -1.200 1.00 0.00 C ATOM 569 OD1 ASP A 37 -9.931 13.046 -0.056 1.00 0.00 O ATOM 570 OD2 ASP A 37 -10.888 13.288 -1.971 1.00 0.00 O ATOM 0 H ASP A 37 -8.437 8.750 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.155 11.447 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.779 11.636 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.237 10.735 -2.126 1.00 0.00 H new ATOM 575 N ALA A 38 -10.798 10.890 0.810 1.00 0.00 N ATOM 576 CA ALA A 38 -11.820 10.344 1.749 1.00 0.00 C ATOM 577 C ALA A 38 -12.526 9.172 1.072 1.00 0.00 C ATOM 578 O ALA A 38 -12.543 8.064 1.574 1.00 0.00 O ATOM 579 CB ALA A 38 -12.840 11.432 2.089 1.00 0.00 C ATOM 0 H ALA A 38 -10.944 11.855 0.513 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.340 10.009 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.585 11.030 2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.331 12.274 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.331 11.768 1.176 1.00 0.00 H new ATOM 585 N LEU A 39 -13.075 9.398 -0.089 1.00 0.00 N ATOM 586 CA LEU A 39 -13.738 8.293 -0.820 1.00 0.00 C ATOM 587 C LEU A 39 -12.641 7.367 -1.319 1.00 0.00 C ATOM 588 O LEU A 39 -12.789 6.162 -1.368 1.00 0.00 O ATOM 589 CB LEU A 39 -14.525 8.853 -2.004 1.00 0.00 C ATOM 590 CG LEU A 39 -15.498 9.922 -1.513 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.411 10.350 -2.663 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.346 9.358 -0.370 1.00 0.00 C ATOM 0 H LEU A 39 -13.091 10.303 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.433 7.759 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.842 9.279 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.071 8.052 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.936 10.785 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.105 11.113 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.807 10.755 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.972 9.487 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.040 10.122 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.907 8.494 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.696 9.056 0.451 1.00 0.00 H new ATOM 604 N GLY A 40 -11.524 7.940 -1.675 1.00 0.00 N ATOM 605 CA GLY A 40 -10.387 7.123 -2.158 1.00 0.00 C ATOM 606 C GLY A 40 -9.981 6.150 -1.056 1.00 0.00 C ATOM 607 O GLY A 40 -9.676 5.001 -1.305 1.00 0.00 O ATOM 0 H GLY A 40 -11.354 8.945 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.669 6.578 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.547 7.764 -2.424 1.00 0.00 H new ATOM 611 N LEU A 41 -9.989 6.603 0.167 1.00 0.00 N ATOM 612 CA LEU A 41 -9.618 5.707 1.293 1.00 0.00 C ATOM 613 C LEU A 41 -10.659 4.594 1.394 1.00 0.00 C ATOM 614 O LEU A 41 -10.333 3.437 1.556 1.00 0.00 O ATOM 615 CB LEU A 41 -9.580 6.521 2.597 1.00 0.00 C ATOM 616 CG LEU A 41 -9.306 5.609 3.808 1.00 0.00 C ATOM 617 CD1 LEU A 41 -10.553 4.792 4.167 1.00 0.00 C ATOM 618 CD2 LEU A 41 -8.146 4.663 3.490 1.00 0.00 C ATOM 0 H LEU A 41 -10.237 7.556 0.433 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.634 5.269 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.806 7.286 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.529 7.039 2.735 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.045 6.236 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.336 4.155 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.372 5.468 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.838 4.172 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.955 4.020 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.403 4.049 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.252 5.246 3.267 1.00 0.00 H new ATOM 630 N LEU A 42 -11.913 4.937 1.287 1.00 0.00 N ATOM 631 CA LEU A 42 -12.974 3.897 1.373 1.00 0.00 C ATOM 632 C LEU A 42 -12.751 2.865 0.271 1.00 0.00 C ATOM 633 O LEU A 42 -12.809 1.673 0.498 1.00 0.00 O ATOM 634 CB LEU A 42 -14.339 4.566 1.170 1.00 0.00 C ATOM 635 CG LEU A 42 -15.456 3.520 1.225 1.00 0.00 C ATOM 636 CD1 LEU A 42 -16.055 3.480 2.631 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.541 3.890 0.212 1.00 0.00 C ATOM 0 H LEU A 42 -12.247 5.890 1.144 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.941 3.407 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.500 5.321 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.360 5.081 0.209 1.00 0.00 H new ATOM 0 HG LEU A 42 -15.050 2.538 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.850 2.735 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.279 3.218 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.464 4.459 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.339 3.149 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.947 4.872 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -16.111 3.914 -0.789 1.00 0.00 H new ATOM 649 N LYS A 43 -12.498 3.317 -0.916 1.00 0.00 N ATOM 650 CA LYS A 43 -12.270 2.371 -2.037 1.00 0.00 C ATOM 651 C LYS A 43 -11.045 1.505 -1.733 1.00 0.00 C ATOM 652 O LYS A 43 -10.984 0.344 -2.091 1.00 0.00 O ATOM 653 CB LYS A 43 -12.031 3.159 -3.321 1.00 0.00 C ATOM 654 CG LYS A 43 -13.300 3.923 -3.702 1.00 0.00 C ATOM 655 CD LYS A 43 -13.091 4.620 -5.048 1.00 0.00 C ATOM 656 CE LYS A 43 -14.315 5.479 -5.372 1.00 0.00 C ATOM 657 NZ LYS A 43 -14.348 6.659 -4.464 1.00 0.00 N ATOM 0 H LYS A 43 -12.438 4.305 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.144 1.731 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.204 3.855 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.747 2.482 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.145 3.238 -3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.540 4.658 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.196 5.241 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.935 3.880 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.278 5.807 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.226 4.892 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.235 6.654 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.541 6.616 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.291 7.532 -5.027 1.00 0.00 H new ATOM 671 N VAL A 44 -10.065 2.069 -1.081 1.00 0.00 N ATOM 672 CA VAL A 44 -8.833 1.297 -0.760 1.00 0.00 C ATOM 673 C VAL A 44 -9.172 0.120 0.157 1.00 0.00 C ATOM 674 O VAL A 44 -8.796 -1.006 -0.099 1.00 0.00 O ATOM 675 CB VAL A 44 -7.835 2.214 -0.054 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.615 1.401 0.379 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.393 3.320 -1.015 1.00 0.00 C ATOM 0 H VAL A 44 -10.066 3.036 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.400 0.915 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.306 2.659 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.903 2.054 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.928 0.611 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.143 0.957 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.681 3.975 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.921 2.874 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.262 3.900 -1.327 1.00 0.00 H new ATOM 687 N ILE A 45 -9.875 0.372 1.221 1.00 0.00 N ATOM 688 CA ILE A 45 -10.236 -0.726 2.159 1.00 0.00 C ATOM 689 C ILE A 45 -11.230 -1.689 1.503 1.00 0.00 C ATOM 690 O ILE A 45 -11.276 -2.855 1.830 1.00 0.00 O ATOM 691 CB ILE A 45 -10.870 -0.129 3.418 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.774 0.283 4.412 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.777 -1.171 4.067 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.005 1.490 3.869 1.00 0.00 C ATOM 0 H ILE A 45 -10.218 1.296 1.484 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.332 -1.276 2.419 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.453 0.750 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.219 0.528 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.091 -0.550 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.231 -0.750 4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.560 -1.459 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.189 -2.049 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.229 1.777 4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.546 1.230 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.692 2.324 3.725 1.00 0.00 H new ATOM 706 N ALA A 46 -12.048 -1.207 0.607 1.00 0.00 N ATOM 707 CA ALA A 46 -13.065 -2.095 -0.034 1.00 0.00 C ATOM 708 C ALA A 46 -12.407 -3.170 -0.909 1.00 0.00 C ATOM 709 O ALA A 46 -12.736 -4.338 -0.816 1.00 0.00 O ATOM 710 CB ALA A 46 -13.989 -1.245 -0.905 1.00 0.00 C ATOM 0 H ALA A 46 -12.058 -0.238 0.290 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.625 -2.595 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.735 -1.885 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.489 -0.500 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.403 -0.742 -1.674 1.00 0.00 H new ATOM 716 N TRP A 47 -11.501 -2.803 -1.770 1.00 0.00 N ATOM 717 CA TRP A 47 -10.867 -3.836 -2.645 1.00 0.00 C ATOM 718 C TRP A 47 -9.759 -4.565 -1.887 1.00 0.00 C ATOM 719 O TRP A 47 -9.603 -5.765 -2.000 1.00 0.00 O ATOM 720 CB TRP A 47 -10.285 -3.172 -3.893 1.00 0.00 C ATOM 721 CG TRP A 47 -8.814 -3.425 -3.955 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.231 -4.605 -4.270 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.731 -2.491 -3.701 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.856 -4.449 -4.221 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.501 -3.161 -3.871 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.708 -1.141 -3.339 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.282 -2.504 -3.687 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.487 -0.473 -3.152 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.275 -1.155 -3.325 1.00 0.00 C ATOM 0 H TRP A 47 -11.173 -1.847 -1.908 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.627 -4.559 -2.941 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.770 -3.565 -4.786 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.479 -2.100 -3.871 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.752 -5.518 -4.519 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.188 -5.194 -4.419 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.637 -0.607 -3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.352 -3.035 -3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.482 0.571 -2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.338 -0.639 -3.179 1.00 0.00 H new ATOM 740 N LEU A 48 -8.979 -3.853 -1.125 1.00 0.00 N ATOM 741 CA LEU A 48 -7.874 -4.511 -0.375 1.00 0.00 C ATOM 742 C LEU A 48 -8.463 -5.544 0.592 1.00 0.00 C ATOM 743 O LEU A 48 -7.948 -6.632 0.746 1.00 0.00 O ATOM 744 CB LEU A 48 -7.108 -3.437 0.417 1.00 0.00 C ATOM 745 CG LEU A 48 -5.664 -3.875 0.704 1.00 0.00 C ATOM 746 CD1 LEU A 48 -5.630 -5.310 1.225 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.841 -3.785 -0.580 1.00 0.00 C ATOM 0 H LEU A 48 -9.058 -2.845 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.197 -5.013 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.102 -2.503 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.623 -3.239 1.357 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.244 -3.216 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.598 -5.601 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.208 -5.376 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.059 -5.978 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.816 -4.096 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.275 -4.438 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.844 -2.757 -0.943 1.00 0.00 H new ATOM 759 N GLU A 49 -9.538 -5.220 1.250 1.00 0.00 N ATOM 760 CA GLU A 49 -10.138 -6.194 2.193 1.00 0.00 C ATOM 761 C GLU A 49 -10.819 -7.310 1.397 1.00 0.00 C ATOM 762 O GLU A 49 -10.827 -8.459 1.791 1.00 0.00 O ATOM 763 CB GLU A 49 -11.158 -5.463 3.070 1.00 0.00 C ATOM 764 CG GLU A 49 -12.459 -5.278 2.302 1.00 0.00 C ATOM 765 CD GLU A 49 -13.397 -4.364 3.092 1.00 0.00 C ATOM 766 OE1 GLU A 49 -13.048 -4.010 4.206 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.449 -4.034 2.570 1.00 0.00 O ATOM 0 H GLU A 49 -10.024 -4.326 1.175 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.369 -6.635 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.341 -6.031 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.763 -4.493 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.256 -4.847 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.934 -6.245 2.133 1.00 0.00 H new ATOM 774 N ASP A 50 -11.407 -6.964 0.286 1.00 0.00 N ATOM 775 CA ASP A 50 -12.115 -7.979 -0.547 1.00 0.00 C ATOM 776 C ASP A 50 -11.144 -9.015 -1.129 1.00 0.00 C ATOM 777 O ASP A 50 -11.457 -10.186 -1.206 1.00 0.00 O ATOM 778 CB ASP A 50 -12.819 -7.263 -1.695 1.00 0.00 C ATOM 779 CG ASP A 50 -13.690 -8.258 -2.464 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.797 -9.388 -2.017 1.00 0.00 O ATOM 781 OD2 ASP A 50 -14.233 -7.874 -3.486 1.00 0.00 O ATOM 0 H ASP A 50 -11.428 -6.014 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.829 -8.504 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.433 -6.450 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.083 -6.816 -2.364 1.00 0.00 H new ATOM 786 N ARG A 51 -9.993 -8.599 -1.580 1.00 0.00 N ATOM 787 CA ARG A 51 -9.048 -9.570 -2.198 1.00 0.00 C ATOM 788 C ARG A 51 -8.432 -10.502 -1.146 1.00 0.00 C ATOM 789 O ARG A 51 -8.208 -11.667 -1.408 1.00 0.00 O ATOM 790 CB ARG A 51 -7.944 -8.813 -2.942 1.00 0.00 C ATOM 791 CG ARG A 51 -6.967 -8.178 -1.957 1.00 0.00 C ATOM 792 CD ARG A 51 -5.951 -7.344 -2.738 1.00 0.00 C ATOM 793 NE ARG A 51 -4.847 -6.912 -1.837 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.683 -6.604 -2.340 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.488 -6.680 -3.628 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.713 -6.222 -1.556 1.00 0.00 N ATOM 0 H ARG A 51 -9.667 -7.633 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.606 -10.187 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.410 -9.496 -3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.386 -8.041 -3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.503 -7.550 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.458 -8.950 -1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.549 -7.928 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.440 -6.472 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.000 -6.857 -0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.245 -6.980 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.578 -6.439 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.864 -6.164 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.803 -5.981 -1.950 1.00 0.00 H new ATOM 810 N PHE A 52 -8.148 -10.020 0.034 1.00 0.00 N ATOM 811 CA PHE A 52 -7.543 -10.918 1.061 1.00 0.00 C ATOM 812 C PHE A 52 -8.637 -11.748 1.730 1.00 0.00 C ATOM 813 O PHE A 52 -8.365 -12.721 2.404 1.00 0.00 O ATOM 814 CB PHE A 52 -6.796 -10.089 2.110 1.00 0.00 C ATOM 815 CG PHE A 52 -5.335 -10.012 1.737 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.875 -8.973 0.923 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.442 -10.982 2.205 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.520 -8.902 0.576 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.088 -10.913 1.859 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.626 -9.872 1.044 1.00 0.00 C ATOM 0 H PHE A 52 -8.306 -9.057 0.329 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.834 -11.588 0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.221 -9.087 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.908 -10.541 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.565 -8.225 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.798 -11.785 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.165 -8.099 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.399 -11.662 2.220 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.581 -9.818 0.777 1.00 0.00 H new ATOM 830 N GLY A 53 -9.873 -11.371 1.557 1.00 0.00 N ATOM 831 CA GLY A 53 -10.977 -12.139 2.190 1.00 0.00 C ATOM 832 C GLY A 53 -11.055 -11.758 3.662 1.00 0.00 C ATOM 833 O GLY A 53 -11.590 -12.482 4.477 1.00 0.00 O ATOM 0 H GLY A 53 -10.165 -10.565 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.922 -11.921 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.801 -13.210 2.086 1.00 0.00 H new ATOM 837 N ILE A 54 -10.512 -10.621 4.005 1.00 0.00 N ATOM 838 CA ILE A 54 -10.536 -10.178 5.426 1.00 0.00 C ATOM 839 C ILE A 54 -11.418 -8.939 5.564 1.00 0.00 C ATOM 840 O ILE A 54 -11.596 -8.189 4.628 1.00 0.00 O ATOM 841 CB ILE A 54 -9.110 -9.846 5.860 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.574 -8.710 4.981 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.229 -11.089 5.703 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.128 -8.398 5.363 1.00 0.00 C ATOM 0 H ILE A 54 -10.052 -9.979 3.359 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.940 -10.971 6.055 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.100 -9.533 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.629 -8.994 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.192 -7.821 5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.210 -10.854 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.621 -11.894 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.228 -11.405 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.752 -7.590 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.085 -8.095 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.513 -9.286 5.218 1.00 0.00 H new ATOM 856 N ALA A 55 -11.979 -8.721 6.723 1.00 0.00 N ATOM 857 CA ALA A 55 -12.854 -7.529 6.913 1.00 0.00 C ATOM 858 C ALA A 55 -12.073 -6.432 7.642 1.00 0.00 C ATOM 859 O ALA A 55 -11.427 -6.674 8.642 1.00 0.00 O ATOM 860 CB ALA A 55 -14.077 -7.921 7.744 1.00 0.00 C ATOM 0 H ALA A 55 -11.869 -9.315 7.545 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.178 -7.159 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.717 -7.050 7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.634 -8.701 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.753 -8.292 8.716 1.00 0.00 H new ATOM 866 N ALA A 56 -12.131 -5.225 7.147 1.00 0.00 N ATOM 867 CA ALA A 56 -11.397 -4.110 7.809 1.00 0.00 C ATOM 868 C ALA A 56 -12.049 -3.792 9.158 1.00 0.00 C ATOM 869 O ALA A 56 -11.427 -3.242 10.043 1.00 0.00 O ATOM 870 CB ALA A 56 -11.443 -2.869 6.915 1.00 0.00 C ATOM 0 H ALA A 56 -12.656 -4.963 6.312 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.360 -4.406 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.906 -2.052 7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.975 -3.094 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.480 -2.576 6.753 1.00 0.00 H new ATOM 876 N ASP A 57 -13.300 -4.125 9.316 1.00 0.00 N ATOM 877 CA ASP A 57 -13.996 -3.834 10.598 1.00 0.00 C ATOM 878 C ASP A 57 -13.220 -4.442 11.769 1.00 0.00 C ATOM 879 O ASP A 57 -13.162 -3.879 12.844 1.00 0.00 O ATOM 880 CB ASP A 57 -15.399 -4.432 10.551 1.00 0.00 C ATOM 881 CG ASP A 57 -16.247 -3.671 9.531 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.800 -2.630 9.078 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.329 -4.140 9.221 1.00 0.00 O ATOM 0 H ASP A 57 -13.871 -4.588 8.609 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.057 -2.755 10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.347 -5.487 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.862 -4.378 11.536 1.00 0.00 H new ATOM 888 N ASP A 58 -12.631 -5.588 11.575 1.00 0.00 N ATOM 889 CA ASP A 58 -11.870 -6.230 12.685 1.00 0.00 C ATOM 890 C ASP A 58 -10.796 -5.273 13.205 1.00 0.00 C ATOM 891 O ASP A 58 -10.553 -5.187 14.393 1.00 0.00 O ATOM 892 CB ASP A 58 -11.207 -7.508 12.174 1.00 0.00 C ATOM 893 CG ASP A 58 -12.283 -8.545 11.843 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.421 -8.331 12.225 1.00 0.00 O ATOM 895 OD2 ASP A 58 -11.949 -9.535 11.212 1.00 0.00 O ATOM 0 H ASP A 58 -12.643 -6.108 10.698 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.557 -6.471 13.496 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.611 -7.291 11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.526 -7.903 12.928 1.00 0.00 H new ATOM 900 N VAL A 59 -10.151 -4.554 12.326 1.00 0.00 N ATOM 901 CA VAL A 59 -9.089 -3.602 12.766 1.00 0.00 C ATOM 902 C VAL A 59 -9.377 -2.211 12.198 1.00 0.00 C ATOM 903 O VAL A 59 -9.731 -2.065 11.045 1.00 0.00 O ATOM 904 CB VAL A 59 -7.731 -4.085 12.263 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.629 -3.174 12.804 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.490 -5.518 12.744 1.00 0.00 C ATOM 0 H VAL A 59 -10.314 -4.585 11.320 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.078 -3.553 13.855 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.719 -4.059 11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.661 -3.521 12.444 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.800 -2.153 12.461 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.640 -3.197 13.894 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.521 -5.864 12.385 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.504 -5.543 13.834 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.274 -6.169 12.356 1.00 0.00 H new ATOM 916 N GLU A 60 -9.225 -1.186 12.992 1.00 0.00 N ATOM 917 CA GLU A 60 -9.491 0.189 12.482 1.00 0.00 C ATOM 918 C GLU A 60 -8.216 0.744 11.844 1.00 0.00 C ATOM 919 O GLU A 60 -7.160 0.749 12.443 1.00 0.00 O ATOM 920 CB GLU A 60 -9.915 1.090 13.643 1.00 0.00 C ATOM 921 CG GLU A 60 -10.321 2.458 13.106 1.00 0.00 C ATOM 922 CD GLU A 60 -10.646 3.392 14.274 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.526 2.955 15.406 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.009 4.527 14.015 1.00 0.00 O ATOM 0 H GLU A 60 -8.930 -1.241 13.967 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.288 0.157 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.747 0.638 14.182 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.095 1.196 14.353 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.515 2.878 12.505 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.188 2.361 12.453 1.00 0.00 H new ATOM 931 N LEU A 61 -8.307 1.207 10.626 1.00 0.00 N ATOM 932 CA LEU A 61 -7.111 1.753 9.942 1.00 0.00 C ATOM 933 C LEU A 61 -7.182 3.281 9.913 1.00 0.00 C ATOM 934 O LEU A 61 -8.236 3.857 9.726 1.00 0.00 O ATOM 935 CB LEU A 61 -7.077 1.222 8.511 1.00 0.00 C ATOM 936 CG LEU A 61 -7.173 -0.302 8.526 1.00 0.00 C ATOM 937 CD1 LEU A 61 -6.989 -0.841 7.105 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.082 -0.876 9.433 1.00 0.00 C ATOM 0 H LEU A 61 -9.166 1.228 10.077 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.212 1.447 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.903 1.643 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.156 1.533 8.019 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.152 -0.598 8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.058 -1.929 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.767 -0.435 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.011 -0.543 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.152 -1.964 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.103 -0.579 9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.213 -0.495 10.446 1.00 0.00 H new ATOM 950 N SER A 62 -6.067 3.941 10.083 1.00 0.00 N ATOM 951 CA SER A 62 -6.065 5.426 10.052 1.00 0.00 C ATOM 952 C SER A 62 -5.381 5.889 8.763 1.00 0.00 C ATOM 953 O SER A 62 -4.542 5.198 8.221 1.00 0.00 O ATOM 954 CB SER A 62 -5.297 5.963 11.260 1.00 0.00 C ATOM 955 OG SER A 62 -4.357 6.935 10.825 1.00 0.00 O ATOM 0 H SER A 62 -5.156 3.510 10.242 1.00 0.00 H new ATOM 0 HA SER A 62 -7.088 5.800 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.988 6.405 11.978 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.784 5.148 11.771 1.00 0.00 H new ATOM 0 HG SER A 62 -3.864 7.282 11.598 1.00 0.00 H new ATOM 961 N PRO A 63 -5.736 7.045 8.274 1.00 0.00 N ATOM 962 CA PRO A 63 -5.146 7.601 7.022 1.00 0.00 C ATOM 963 C PRO A 63 -3.624 7.753 7.117 1.00 0.00 C ATOM 964 O PRO A 63 -2.932 7.825 6.120 1.00 0.00 O ATOM 965 CB PRO A 63 -5.810 8.976 6.867 1.00 0.00 C ATOM 966 CG PRO A 63 -6.420 9.289 8.195 1.00 0.00 C ATOM 967 CD PRO A 63 -6.730 7.952 8.856 1.00 0.00 C ATOM 0 HA PRO A 63 -5.321 6.941 6.173 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.078 9.733 6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.568 8.958 6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.735 9.875 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.327 9.882 8.075 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.636 8.009 9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.747 7.624 8.641 1.00 0.00 H new ATOM 975 N GLU A 64 -3.099 7.809 8.313 1.00 0.00 N ATOM 976 CA GLU A 64 -1.631 7.962 8.483 1.00 0.00 C ATOM 977 C GLU A 64 -0.927 6.684 8.047 1.00 0.00 C ATOM 978 O GLU A 64 0.196 6.709 7.585 1.00 0.00 O ATOM 979 CB GLU A 64 -1.324 8.241 9.951 1.00 0.00 C ATOM 980 CG GLU A 64 -2.006 9.534 10.378 1.00 0.00 C ATOM 981 CD GLU A 64 -1.621 9.866 11.821 1.00 0.00 C ATOM 982 OE1 GLU A 64 -1.017 9.021 12.460 1.00 0.00 O ATOM 983 OE2 GLU A 64 -1.937 10.959 12.260 1.00 0.00 O ATOM 0 H GLU A 64 -3.630 7.755 9.182 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.277 8.791 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.671 7.413 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.247 8.320 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.711 10.348 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.088 9.431 10.294 1.00 0.00 H new ATOM 990 N HIS A 65 -1.572 5.565 8.190 1.00 0.00 N ATOM 991 CA HIS A 65 -0.926 4.294 7.782 1.00 0.00 C ATOM 992 C HIS A 65 -0.737 4.299 6.270 1.00 0.00 C ATOM 993 O HIS A 65 0.073 3.571 5.730 1.00 0.00 O ATOM 994 CB HIS A 65 -1.801 3.107 8.173 1.00 0.00 C ATOM 995 CG HIS A 65 -1.167 1.851 7.658 1.00 0.00 C ATOM 996 ND1 HIS A 65 0.085 1.430 8.081 1.00 0.00 N ATOM 997 CD2 HIS A 65 -1.591 0.921 6.745 1.00 0.00 C ATOM 998 CE1 HIS A 65 0.369 0.292 7.425 1.00 0.00 C ATOM 999 NE2 HIS A 65 -0.618 -0.058 6.600 1.00 0.00 N ATOM 0 H HIS A 65 -2.514 5.476 8.570 1.00 0.00 H new ATOM 0 HA HIS A 65 0.038 4.204 8.284 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.909 3.058 9.257 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.802 3.223 7.757 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.681 1.898 8.764 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.535 0.946 6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.283 -0.269 7.551 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.483 5.111 5.581 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.357 5.163 4.103 1.00 0.00 C ATOM 1010 C PHE A 66 -0.296 6.191 3.726 1.00 0.00 C ATOM 1011 O PHE A 66 -0.162 6.579 2.582 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.703 5.551 3.494 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.760 4.581 3.965 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.230 4.646 5.281 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.273 3.620 3.085 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.212 3.752 5.720 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.256 2.725 3.526 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.725 2.792 4.843 1.00 0.00 C ATOM 0 H PHE A 66 -2.177 5.743 5.980 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.061 4.186 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.969 6.567 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.640 5.539 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.834 5.388 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.911 3.569 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.574 3.803 6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.652 1.983 2.849 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.483 2.102 5.182 1.00 0.00 H new ATOM 1028 N ARG A 67 0.463 6.627 4.687 1.00 0.00 N ATOM 1029 CA ARG A 67 1.528 7.624 4.417 1.00 0.00 C ATOM 1030 C ARG A 67 2.376 7.158 3.229 1.00 0.00 C ATOM 1031 O ARG A 67 2.845 7.955 2.441 1.00 0.00 O ATOM 1032 CB ARG A 67 2.397 7.740 5.666 1.00 0.00 C ATOM 1033 CG ARG A 67 3.101 6.405 5.918 1.00 0.00 C ATOM 1034 CD ARG A 67 3.126 6.106 7.418 1.00 0.00 C ATOM 1035 NE ARG A 67 4.281 5.217 7.729 1.00 0.00 N ATOM 1036 CZ ARG A 67 5.454 5.733 7.980 1.00 0.00 C ATOM 1037 NH1 ARG A 67 5.620 7.027 7.947 1.00 0.00 N ATOM 1038 NH2 ARG A 67 6.463 4.953 8.262 1.00 0.00 N ATOM 0 H ARG A 67 0.389 6.331 5.660 1.00 0.00 H new ATOM 0 HA ARG A 67 1.092 8.593 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.133 8.534 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.784 8.009 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.584 5.605 5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.118 6.441 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.206 7.035 7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.194 5.628 7.720 1.00 0.00 H new ATOM 0 HE ARG A 67 4.155 4.205 7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.833 7.637 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.537 7.429 8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.334 3.941 8.286 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.379 5.355 8.458 1.00 0.00 H new ATOM 1052 N SER A 68 2.575 5.874 3.091 1.00 0.00 N ATOM 1053 CA SER A 68 3.388 5.367 1.951 1.00 0.00 C ATOM 1054 C SER A 68 2.933 3.957 1.574 1.00 0.00 C ATOM 1055 O SER A 68 2.421 3.216 2.390 1.00 0.00 O ATOM 1056 CB SER A 68 4.865 5.333 2.346 1.00 0.00 C ATOM 1057 OG SER A 68 5.053 4.375 3.379 1.00 0.00 O ATOM 0 H SER A 68 2.210 5.157 3.718 1.00 0.00 H new ATOM 0 HA SER A 68 3.254 6.031 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.479 5.078 1.482 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.185 6.318 2.685 1.00 0.00 H new ATOM 0 HG SER A 68 5.999 4.350 3.633 1.00 0.00 H new ATOM 1063 N ILE A 69 3.130 3.582 0.343 1.00 0.00 N ATOM 1064 CA ILE A 69 2.735 2.227 -0.108 1.00 0.00 C ATOM 1065 C ILE A 69 3.490 1.191 0.722 1.00 0.00 C ATOM 1066 O ILE A 69 2.989 0.125 1.020 1.00 0.00 O ATOM 1067 CB ILE A 69 3.106 2.073 -1.579 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.532 3.249 -2.368 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.521 0.771 -2.112 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.636 4.268 -2.666 1.00 0.00 C ATOM 0 H ILE A 69 3.554 4.167 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 69 1.662 2.083 0.017 1.00 0.00 H new ATOM 0 HB ILE A 69 4.191 2.056 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.093 2.893 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.732 3.723 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.784 0.657 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.924 -0.068 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.436 0.791 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.218 5.103 -3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.055 4.635 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.422 3.792 -3.253 1.00 0.00 H new ATOM 1082 N ARG A 70 4.704 1.499 1.081 1.00 0.00 N ATOM 1083 CA ARG A 70 5.523 0.545 1.878 1.00 0.00 C ATOM 1084 C ARG A 70 4.789 0.190 3.175 1.00 0.00 C ATOM 1085 O ARG A 70 4.713 -0.960 3.564 1.00 0.00 O ATOM 1086 CB ARG A 70 6.845 1.226 2.234 1.00 0.00 C ATOM 1087 CG ARG A 70 7.565 1.662 0.958 1.00 0.00 C ATOM 1088 CD ARG A 70 8.388 2.919 1.251 1.00 0.00 C ATOM 1089 NE ARG A 70 9.427 2.606 2.272 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.494 1.935 1.934 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.648 1.532 0.703 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.405 1.665 2.828 1.00 0.00 N ATOM 0 H ARG A 70 5.168 2.379 0.854 1.00 0.00 H new ATOM 0 HA ARG A 70 5.698 -0.363 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.659 2.091 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.475 0.542 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.214 0.863 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.841 1.862 0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.859 3.280 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.738 3.717 1.611 1.00 0.00 H new ATOM 0 HE ARG A 70 9.304 2.916 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.935 1.741 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.482 1.008 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.283 1.978 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.239 1.141 2.564 1.00 0.00 H new ATOM 1106 N SER A 71 4.250 1.168 3.845 1.00 0.00 N ATOM 1107 CA SER A 71 3.524 0.886 5.116 1.00 0.00 C ATOM 1108 C SER A 71 2.285 0.040 4.827 1.00 0.00 C ATOM 1109 O SER A 71 2.011 -0.931 5.502 1.00 0.00 O ATOM 1110 CB SER A 71 3.100 2.207 5.761 1.00 0.00 C ATOM 1111 OG SER A 71 2.568 1.947 7.053 1.00 0.00 O ATOM 0 H SER A 71 4.280 2.150 3.569 1.00 0.00 H new ATOM 0 HA SER A 71 4.181 0.341 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.954 2.880 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.355 2.705 5.141 1.00 0.00 H new ATOM 0 HG SER A 71 1.624 2.210 7.077 1.00 0.00 H new ATOM 1117 N ILE A 72 1.529 0.403 3.828 1.00 0.00 N ATOM 1118 CA ILE A 72 0.308 -0.370 3.496 1.00 0.00 C ATOM 1119 C ILE A 72 0.678 -1.817 3.183 1.00 0.00 C ATOM 1120 O ILE A 72 0.016 -2.744 3.604 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.359 0.264 2.280 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.707 1.720 2.597 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.634 -0.501 1.947 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.329 2.375 1.364 1.00 0.00 C ATOM 0 H ILE A 72 1.709 1.207 3.226 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.377 -0.358 4.344 1.00 0.00 H new ATOM 0 HB ILE A 72 0.320 0.227 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.402 1.765 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.190 2.262 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.113 -0.050 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.388 -1.540 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.315 -0.462 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.577 3.412 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.619 2.343 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.235 1.838 1.085 1.00 0.00 H new ATOM 1136 N ASP A 73 1.726 -2.018 2.441 1.00 0.00 N ATOM 1137 CA ASP A 73 2.133 -3.402 2.093 1.00 0.00 C ATOM 1138 C ASP A 73 2.461 -4.184 3.369 1.00 0.00 C ATOM 1139 O ASP A 73 2.172 -5.359 3.477 1.00 0.00 O ATOM 1140 CB ASP A 73 3.371 -3.345 1.199 1.00 0.00 C ATOM 1141 CG ASP A 73 3.154 -2.317 0.090 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.062 -1.775 0.016 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.081 -2.089 -0.670 1.00 0.00 O ATOM 0 H ASP A 73 2.320 -1.281 2.060 1.00 0.00 H new ATOM 0 HA ASP A 73 1.318 -3.901 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.247 -3.078 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.565 -4.326 0.766 1.00 0.00 H new ATOM 1148 N ALA A 74 3.074 -3.549 4.334 1.00 0.00 N ATOM 1149 CA ALA A 74 3.430 -4.267 5.590 1.00 0.00 C ATOM 1150 C ALA A 74 2.169 -4.653 6.363 1.00 0.00 C ATOM 1151 O ALA A 74 2.028 -5.771 6.819 1.00 0.00 O ATOM 1152 CB ALA A 74 4.305 -3.365 6.462 1.00 0.00 C ATOM 0 H ALA A 74 3.342 -2.565 4.305 1.00 0.00 H new ATOM 0 HA ALA A 74 3.975 -5.175 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.566 -3.890 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.215 -3.107 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.758 -2.454 6.707 1.00 0.00 H new ATOM 1158 N PHE A 75 1.252 -3.740 6.521 1.00 0.00 N ATOM 1159 CA PHE A 75 0.010 -4.069 7.272 1.00 0.00 C ATOM 1160 C PHE A 75 -0.795 -5.109 6.498 1.00 0.00 C ATOM 1161 O PHE A 75 -1.285 -6.069 7.056 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.819 -2.807 7.474 1.00 0.00 C ATOM 1163 CG PHE A 75 -2.025 -3.132 8.322 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.939 -3.069 9.718 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.230 -3.501 7.711 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -3.057 -3.373 10.503 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.348 -3.806 8.496 1.00 0.00 C ATOM 1168 CZ PHE A 75 -4.262 -3.742 9.892 1.00 0.00 C ATOM 0 H PHE A 75 1.308 -2.786 6.165 1.00 0.00 H new ATOM 0 HA PHE A 75 0.273 -4.477 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.218 -2.037 7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.135 -2.408 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.009 -2.786 10.189 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.297 -3.550 6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.991 -3.323 11.580 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.277 -4.091 8.025 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.125 -3.977 10.498 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.921 -4.936 5.214 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.680 -5.923 4.409 1.00 0.00 C ATOM 1180 C VAL A 76 -1.001 -7.288 4.534 1.00 0.00 C ATOM 1181 O VAL A 76 -1.649 -8.304 4.683 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.687 -5.482 2.948 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.188 -6.630 2.080 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.616 -4.275 2.780 1.00 0.00 C ATOM 0 H VAL A 76 -0.531 -4.153 4.689 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.707 -5.990 4.768 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.677 -5.206 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.195 -6.320 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.529 -7.490 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.199 -6.902 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.620 -3.961 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.627 -4.550 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.263 -3.454 3.404 1.00 0.00 H new ATOM 1194 N VAL A 77 0.305 -7.316 4.488 1.00 0.00 N ATOM 1195 CA VAL A 77 1.025 -8.605 4.618 1.00 0.00 C ATOM 1196 C VAL A 77 0.783 -9.173 6.018 1.00 0.00 C ATOM 1197 O VAL A 77 0.582 -10.359 6.194 1.00 0.00 O ATOM 1198 CB VAL A 77 2.519 -8.358 4.409 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.293 -9.627 4.749 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.774 -7.986 2.947 1.00 0.00 C ATOM 0 H VAL A 77 0.900 -6.497 4.366 1.00 0.00 H new ATOM 0 HA VAL A 77 0.666 -9.316 3.874 1.00 0.00 H new ATOM 0 HB VAL A 77 2.848 -7.544 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.359 -9.454 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.110 -9.897 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.964 -10.439 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.839 -7.810 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.447 -8.801 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.218 -7.082 2.699 1.00 0.00 H new ATOM 1210 N GLY A 78 0.796 -8.329 7.015 1.00 0.00 N ATOM 1211 CA GLY A 78 0.564 -8.801 8.411 1.00 0.00 C ATOM 1212 C GLY A 78 -0.800 -9.486 8.505 1.00 0.00 C ATOM 1213 O GLY A 78 -1.083 -10.201 9.446 1.00 0.00 O ATOM 0 H GLY A 78 0.958 -7.326 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.351 -9.495 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.607 -7.959 9.102 1.00 0.00 H new ATOM 1217 N ALA A 79 -1.653 -9.261 7.545 1.00 0.00 N ATOM 1218 CA ALA A 79 -3.006 -9.884 7.587 1.00 0.00 C ATOM 1219 C ALA A 79 -2.903 -11.405 7.439 1.00 0.00 C ATOM 1220 O ALA A 79 -3.678 -12.140 8.019 1.00 0.00 O ATOM 1221 CB ALA A 79 -3.858 -9.321 6.449 1.00 0.00 C ATOM 0 H ALA A 79 -1.472 -8.672 6.732 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.468 -9.656 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.849 -9.775 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.950 -8.241 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.383 -9.545 5.494 1.00 0.00 H new ATOM 1227 N THR A 80 -1.968 -11.889 6.663 1.00 0.00 N ATOM 1228 CA THR A 80 -1.848 -13.368 6.485 1.00 0.00 C ATOM 1229 C THR A 80 -0.388 -13.810 6.600 1.00 0.00 C ATOM 1230 O THR A 80 -0.105 -14.965 6.852 1.00 0.00 O ATOM 1231 CB THR A 80 -2.388 -13.755 5.106 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.553 -13.202 4.099 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.811 -13.215 4.946 1.00 0.00 C ATOM 0 H THR A 80 -1.287 -11.330 6.149 1.00 0.00 H new ATOM 0 HA THR A 80 -2.424 -13.863 7.266 1.00 0.00 H new ATOM 0 HB THR A 80 -2.400 -14.841 5.011 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.897 -13.451 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.196 -13.490 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.451 -13.641 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.801 -12.129 5.041 1.00 0.00 H new ATOM 1241 N THR A 81 0.540 -12.913 6.417 1.00 0.00 N ATOM 1242 CA THR A 81 1.976 -13.296 6.517 1.00 0.00 C ATOM 1243 C THR A 81 2.714 -12.278 7.391 1.00 0.00 C ATOM 1244 O THR A 81 2.324 -11.134 7.473 1.00 0.00 O ATOM 1245 CB THR A 81 2.584 -13.308 5.116 1.00 0.00 C ATOM 1246 OG1 THR A 81 1.763 -12.551 4.239 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.684 -14.749 4.608 1.00 0.00 C ATOM 0 H THR A 81 0.366 -11.931 6.202 1.00 0.00 H new ATOM 0 HA THR A 81 2.067 -14.286 6.965 1.00 0.00 H new ATOM 0 HB THR A 81 3.581 -12.870 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.153 -12.556 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.118 -14.753 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.316 -15.329 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.689 -15.192 4.573 1.00 0.00 H new