USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 417 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 12 CYS SG : rot 121:sc= -5.17! USER MOD Set 1.2: A 16 GLN : amide:sc= -10.9! C(o=-16!,f=-26!) USER MOD Single : A 2 GLN : amide:sc= -0.325 K(o=-0.33,f=-3.3!) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -117:sc= -5.99! (180deg=-8.93!) USER MOD Single : A 11 GLN : amide:sc= -0.875 K(o=-0.87,f=-0.028) USER MOD Single : A 17 THR OG1 : rot 121:sc= 1.38 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 24 GLN : amide:sc= -0.925 K(o=-0.93,f=-0.35) USER MOD Single : A 37 ASN : amide:sc= -2.61 K(o=-2.6,f=-0.36) USER MOD Single : A 38 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.53!) USER MOD Single : A 39 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.3!) USER MOD Single : A 45 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.7!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -14.7! C(o=-15!,f=-13!) USER MOD Single : A 52 GLN : amide:sc= -0.994 K(o=-0.99,f=-0.38) USER MOD Single : A 56 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 11.401 4.246 1.434 1.00 0.00 N ATOM 21 CA GLN A 2 10.381 5.180 1.949 1.00 0.00 C ATOM 22 C GLN A 2 9.164 5.196 1.070 1.00 0.00 C ATOM 23 O GLN A 2 9.192 4.764 -0.062 1.00 0.00 O ATOM 24 CB GLN A 2 11.063 6.513 1.908 1.00 0.00 C ATOM 25 CG GLN A 2 10.154 7.594 2.469 1.00 0.00 C ATOM 26 CD GLN A 2 10.632 8.938 1.929 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.474 8.977 1.056 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.148 10.039 2.417 1.00 0.00 N ATOM 0 HA GLN A 2 10.033 4.903 2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.988 6.473 2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.337 6.757 0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.120 7.412 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.183 7.589 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.440 10.004 3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.475 10.939 2.067 1.00 0.00 H new ATOM 37 N ILE A 3 8.072 5.645 1.599 1.00 0.00 N ATOM 38 CA ILE A 3 6.836 5.643 0.817 1.00 0.00 C ATOM 39 C ILE A 3 5.944 6.796 1.219 1.00 0.00 C ATOM 40 O ILE A 3 6.153 7.457 2.214 1.00 0.00 O ATOM 41 CB ILE A 3 6.179 4.302 1.188 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.240 4.482 2.388 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.265 3.285 1.554 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.297 3.256 3.310 1.00 0.00 C ATOM 0 H ILE A 3 7.989 6.014 2.546 1.00 0.00 H new ATOM 0 HA ILE A 3 7.012 5.754 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 3 5.605 3.946 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.521 5.376 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.219 4.633 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.800 2.335 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.930 3.140 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.839 3.655 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.624 3.404 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.993 2.369 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.315 3.123 3.676 1.00 0.00 H new ATOM 56 N LEU A 4 4.903 6.977 0.492 1.00 0.00 N ATOM 57 CA LEU A 4 3.922 8.005 0.867 1.00 0.00 C ATOM 58 C LEU A 4 2.596 7.300 0.986 1.00 0.00 C ATOM 59 O LEU A 4 2.013 6.906 0.003 1.00 0.00 O ATOM 60 CB LEU A 4 3.887 9.008 -0.279 1.00 0.00 C ATOM 61 CG LEU A 4 2.857 10.098 0.034 1.00 0.00 C ATOM 62 CD1 LEU A 4 1.465 9.551 -0.235 1.00 0.00 C ATOM 63 CD2 LEU A 4 2.961 10.492 1.498 1.00 0.00 C ATOM 0 H LEU A 4 4.684 6.453 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 4 4.159 8.517 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.872 9.452 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.629 8.504 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 4 3.045 10.971 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.724 10.319 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.385 9.258 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.287 8.683 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.228 11.268 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.768 9.621 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.962 10.871 1.703 1.00 0.00 H new ATOM 75 N PHE A 5 2.117 7.110 2.166 1.00 0.00 N ATOM 76 CA PHE A 5 0.834 6.406 2.296 1.00 0.00 C ATOM 77 C PHE A 5 -0.262 7.437 2.583 1.00 0.00 C ATOM 78 O PHE A 5 -0.394 7.938 3.683 1.00 0.00 O ATOM 79 CB PHE A 5 1.054 5.448 3.470 1.00 0.00 C ATOM 80 CG PHE A 5 -0.215 4.686 3.740 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.479 3.510 3.036 1.00 0.00 C ATOM 82 CD2 PHE A 5 -1.133 5.163 4.679 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.672 2.813 3.262 1.00 0.00 C ATOM 84 CE2 PHE A 5 -2.333 4.471 4.900 1.00 0.00 C ATOM 85 CZ PHE A 5 -2.595 3.286 4.197 1.00 0.00 C ATOM 0 H PHE A 5 2.553 7.408 3.039 1.00 0.00 H new ATOM 0 HA PHE A 5 0.523 5.863 1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.865 4.756 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.352 6.006 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.236 3.138 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.919 6.064 5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.879 1.907 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.053 4.850 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.509 2.740 4.379 1.00 0.00 H new ATOM 95 N ASN A 6 -1.040 7.772 1.591 1.00 0.00 N ATOM 96 CA ASN A 6 -2.110 8.792 1.793 1.00 0.00 C ATOM 97 C ASN A 6 -1.480 10.121 2.200 1.00 0.00 C ATOM 98 O ASN A 6 -1.751 10.676 3.244 1.00 0.00 O ATOM 99 CB ASN A 6 -3.007 8.224 2.891 1.00 0.00 C ATOM 100 CG ASN A 6 -4.374 8.924 2.868 1.00 0.00 C ATOM 101 OD1 ASN A 6 -5.217 8.608 2.054 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.629 9.850 3.750 1.00 0.00 N ATOM 0 H ASN A 6 -0.982 7.384 0.649 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.687 8.988 0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.136 7.151 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.536 8.361 3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.539 10.311 3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.919 10.113 4.433 1.00 0.00 H new ATOM 109 N ASP A 7 -0.643 10.608 1.344 1.00 0.00 N ATOM 110 CA ASP A 7 0.084 11.895 1.571 1.00 0.00 C ATOM 111 C ASP A 7 0.877 11.839 2.879 1.00 0.00 C ATOM 112 O ASP A 7 1.364 12.837 3.366 1.00 0.00 O ATOM 113 CB ASP A 7 -0.971 13.001 1.607 1.00 0.00 C ATOM 114 CG ASP A 7 -2.190 12.610 0.769 1.00 0.00 C ATOM 115 OD1 ASP A 7 -1.996 12.068 -0.307 1.00 0.00 O ATOM 116 OD2 ASP A 7 -3.295 12.863 1.214 1.00 0.00 O ATOM 0 H ASP A 7 -0.418 10.156 0.458 1.00 0.00 H new ATOM 0 HA ASP A 7 0.805 12.085 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.276 13.187 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.545 13.930 1.228 1.00 0.00 H new ATOM 121 N GLN A 8 1.057 10.664 3.413 1.00 0.00 N ATOM 122 CA GLN A 8 1.870 10.511 4.659 1.00 0.00 C ATOM 123 C GLN A 8 3.194 9.826 4.299 1.00 0.00 C ATOM 124 O GLN A 8 3.205 8.771 3.711 1.00 0.00 O ATOM 125 CB GLN A 8 1.051 9.609 5.579 1.00 0.00 C ATOM 126 CG GLN A 8 -0.335 10.197 5.802 1.00 0.00 C ATOM 127 CD GLN A 8 -0.638 10.213 7.304 1.00 0.00 C ATOM 128 OE1 GLN A 8 -1.153 9.256 7.851 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.318 11.270 7.995 1.00 0.00 N ATOM 0 H GLN A 8 0.675 9.795 3.040 1.00 0.00 H new ATOM 0 HA GLN A 8 2.091 11.467 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.965 8.614 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.562 9.493 6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.384 11.208 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.083 9.606 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.114 12.070 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.499 11.297 8.998 1.00 0.00 H new ATOM 138 N ALA A 9 4.306 10.413 4.621 1.00 0.00 N ATOM 139 CA ALA A 9 5.604 9.764 4.256 1.00 0.00 C ATOM 140 C ALA A 9 5.957 8.627 5.216 1.00 0.00 C ATOM 141 O ALA A 9 5.589 8.639 6.376 1.00 0.00 O ATOM 142 CB ALA A 9 6.655 10.869 4.340 1.00 0.00 C ATOM 0 H ALA A 9 4.381 11.302 5.115 1.00 0.00 H new ATOM 0 HA ALA A 9 5.549 9.320 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.633 10.461 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.401 11.667 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.683 11.269 5.354 1.00 0.00 H new ATOM 148 N MET A 10 6.651 7.635 4.721 1.00 0.00 N ATOM 149 CA MET A 10 7.012 6.457 5.584 1.00 0.00 C ATOM 150 C MET A 10 8.334 5.804 5.194 1.00 0.00 C ATOM 151 O MET A 10 8.861 6.036 4.124 1.00 0.00 O ATOM 152 CB MET A 10 5.941 5.437 5.262 1.00 0.00 C ATOM 153 CG MET A 10 5.666 4.562 6.471 1.00 0.00 C ATOM 154 SD MET A 10 4.249 5.215 7.382 1.00 0.00 S ATOM 155 CE MET A 10 3.018 4.873 6.097 1.00 0.00 C ATOM 0 H MET A 10 6.986 7.584 3.759 1.00 0.00 H new ATOM 0 HA MET A 10 7.093 6.775 6.623 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.026 5.945 4.956 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.259 4.819 4.422 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.467 3.538 6.154 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.543 4.531 7.117 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.585 5.811 5.749 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.496 4.362 5.262 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.231 4.240 6.507 1.00 0.00 H new ATOM 165 N GLN A 11 8.814 4.908 6.025 1.00 0.00 N ATOM 166 CA GLN A 11 10.043 4.134 5.674 1.00 0.00 C ATOM 167 C GLN A 11 9.847 2.684 6.102 1.00 0.00 C ATOM 168 O GLN A 11 9.699 2.352 7.260 1.00 0.00 O ATOM 169 CB GLN A 11 11.245 4.716 6.399 1.00 0.00 C ATOM 170 CG GLN A 11 11.022 6.176 6.771 1.00 0.00 C ATOM 171 CD GLN A 11 10.637 6.267 8.247 1.00 0.00 C ATOM 172 OE1 GLN A 11 10.973 7.221 8.919 1.00 0.00 O ATOM 173 NE2 GLN A 11 9.950 5.296 8.796 1.00 0.00 N ATOM 0 H GLN A 11 8.405 4.681 6.932 1.00 0.00 H new ATOM 0 HA GLN A 11 10.216 4.188 4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.443 4.136 7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.128 4.632 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.927 6.754 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.235 6.605 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.665 4.493 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.700 5.343 9.784 1.00 0.00 H new ATOM 182 N CYS A 12 9.822 1.848 5.137 1.00 0.00 N ATOM 183 CA CYS A 12 9.600 0.386 5.389 1.00 0.00 C ATOM 184 C CYS A 12 10.604 -0.484 4.628 1.00 0.00 C ATOM 185 O CYS A 12 11.652 -0.034 4.209 1.00 0.00 O ATOM 186 CB CYS A 12 8.185 0.124 4.884 1.00 0.00 C ATOM 187 SG CYS A 12 8.101 0.501 3.112 1.00 0.00 S ATOM 0 H CYS A 12 9.946 2.098 4.156 1.00 0.00 H new ATOM 0 HA CYS A 12 9.731 0.138 6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.911 -0.916 5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.471 0.739 5.432 1.00 0.00 H new ATOM 0 HG CYS A 12 7.742 -0.564 2.458 1.00 0.00 H new ATOM 193 N ALA A 13 10.301 -1.751 4.501 1.00 0.00 N ATOM 194 CA ALA A 13 11.226 -2.703 3.832 1.00 0.00 C ATOM 195 C ALA A 13 11.179 -2.627 2.304 1.00 0.00 C ATOM 196 O ALA A 13 10.361 -3.264 1.682 1.00 0.00 O ATOM 197 CB ALA A 13 10.725 -4.079 4.273 1.00 0.00 C ATOM 0 H ALA A 13 9.435 -2.169 4.840 1.00 0.00 H new ATOM 0 HA ALA A 13 12.258 -2.482 4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.349 -4.854 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.775 -4.153 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.693 -4.212 3.947 1.00 0.00 H new ATOM 203 N ALA A 14 12.066 -1.903 1.685 1.00 0.00 N ATOM 204 CA ALA A 14 12.049 -1.878 0.194 1.00 0.00 C ATOM 205 C ALA A 14 11.997 -3.305 -0.346 1.00 0.00 C ATOM 206 O ALA A 14 12.597 -4.217 0.193 1.00 0.00 O ATOM 207 CB ALA A 14 13.348 -1.214 -0.234 1.00 0.00 C ATOM 0 H ALA A 14 12.788 -1.338 2.132 1.00 0.00 H new ATOM 0 HA ALA A 14 11.181 -1.340 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.392 -1.168 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.392 -0.204 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.193 -1.793 0.139 1.00 0.00 H new ATOM 213 N GLY A 15 11.269 -3.487 -1.405 1.00 0.00 N ATOM 214 CA GLY A 15 11.134 -4.829 -2.026 1.00 0.00 C ATOM 215 C GLY A 15 9.976 -5.570 -1.365 1.00 0.00 C ATOM 216 O GLY A 15 9.683 -6.704 -1.687 1.00 0.00 O ATOM 0 H GLY A 15 10.750 -2.747 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.956 -4.732 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.059 -5.393 -1.907 1.00 0.00 H new ATOM 220 N GLN A 16 9.313 -4.930 -0.448 1.00 0.00 N ATOM 221 CA GLN A 16 8.169 -5.582 0.241 1.00 0.00 C ATOM 222 C GLN A 16 6.862 -5.255 -0.488 1.00 0.00 C ATOM 223 O GLN A 16 6.605 -4.122 -0.810 1.00 0.00 O ATOM 224 CB GLN A 16 8.195 -4.977 1.647 1.00 0.00 C ATOM 225 CG GLN A 16 7.591 -3.553 1.651 1.00 0.00 C ATOM 226 CD GLN A 16 7.365 -3.064 3.096 1.00 0.00 C ATOM 227 OE1 GLN A 16 6.980 -1.935 3.303 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.563 -3.867 4.097 1.00 0.00 N ATOM 0 H GLN A 16 9.515 -3.978 -0.144 1.00 0.00 H new ATOM 0 HA GLN A 16 8.238 -6.670 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.635 -5.615 2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.221 -4.941 2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.259 -2.867 1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.646 -3.552 1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.887 -4.820 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.394 -3.545 5.050 1.00 0.00 H new ATOM 237 N THR A 17 6.033 -6.224 -0.776 1.00 0.00 N ATOM 238 CA THR A 17 4.778 -5.870 -1.494 1.00 0.00 C ATOM 239 C THR A 17 3.908 -4.947 -0.659 1.00 0.00 C ATOM 240 O THR A 17 4.300 -4.407 0.359 1.00 0.00 O ATOM 241 CB THR A 17 3.966 -7.144 -1.721 1.00 0.00 C ATOM 242 OG1 THR A 17 3.288 -7.479 -0.518 1.00 0.00 O ATOM 243 CG2 THR A 17 4.840 -8.305 -2.158 1.00 0.00 C ATOM 0 H THR A 17 6.164 -7.211 -0.554 1.00 0.00 H new ATOM 0 HA THR A 17 5.054 -5.380 -2.428 1.00 0.00 H new ATOM 0 HB THR A 17 3.252 -6.955 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.322 -7.493 -0.680 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.221 -9.190 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.342 -8.051 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.585 -8.509 -1.389 1.00 0.00 H new ATOM 251 N VAL A 18 2.703 -4.816 -1.092 1.00 0.00 N ATOM 252 CA VAL A 18 1.699 -3.993 -0.379 1.00 0.00 C ATOM 253 C VAL A 18 1.213 -4.770 0.795 1.00 0.00 C ATOM 254 O VAL A 18 1.297 -4.340 1.929 1.00 0.00 O ATOM 255 CB VAL A 18 0.589 -3.915 -1.350 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.532 -3.077 -0.783 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.130 -3.360 -2.649 1.00 0.00 C ATOM 0 H VAL A 18 2.354 -5.260 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 18 2.077 -3.026 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 18 0.172 -4.902 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.347 -3.024 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.894 -3.530 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.165 -2.072 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.324 -3.295 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.544 -2.367 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.912 -4.018 -3.028 1.00 0.00 H new ATOM 267 N HIS A 19 0.779 -5.983 0.528 1.00 0.00 N ATOM 268 CA HIS A 19 0.366 -6.852 1.630 1.00 0.00 C ATOM 269 C HIS A 19 1.513 -6.758 2.625 1.00 0.00 C ATOM 270 O HIS A 19 1.338 -6.805 3.826 1.00 0.00 O ATOM 271 CB HIS A 19 0.307 -8.229 0.972 1.00 0.00 C ATOM 272 CG HIS A 19 -0.279 -9.260 1.904 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.600 -9.217 2.352 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.267 -10.386 2.461 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.788 -10.292 3.144 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.681 -11.035 3.240 1.00 0.00 N ATOM 0 H HIS A 19 0.701 -6.388 -0.405 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.575 -6.620 2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.293 -8.174 0.064 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.310 -8.534 0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.284 -10.719 2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.719 -10.524 3.640 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.559 -11.896 3.773 1.00 0.00 H new ATOM 284 N GLU A 20 2.684 -6.514 2.093 1.00 0.00 N ATOM 285 CA GLU A 20 3.874 -6.326 2.979 1.00 0.00 C ATOM 286 C GLU A 20 3.908 -4.883 3.483 1.00 0.00 C ATOM 287 O GLU A 20 4.159 -4.622 4.645 1.00 0.00 O ATOM 288 CB GLU A 20 5.096 -6.633 2.110 1.00 0.00 C ATOM 289 CG GLU A 20 5.261 -8.150 1.994 1.00 0.00 C ATOM 290 CD GLU A 20 6.547 -8.599 2.681 1.00 0.00 C ATOM 291 OE1 GLU A 20 6.503 -8.835 3.876 1.00 0.00 O ATOM 292 OE2 GLU A 20 7.555 -8.713 2.002 1.00 0.00 O ATOM 0 H GLU A 20 2.867 -6.437 1.093 1.00 0.00 H new ATOM 0 HA GLU A 20 3.848 -6.976 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.974 -6.191 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.990 -6.190 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.405 -8.651 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.282 -8.441 0.944 1.00 0.00 H new ATOM 299 N LEU A 21 3.639 -3.933 2.619 1.00 0.00 N ATOM 300 CA LEU A 21 3.642 -2.506 3.054 1.00 0.00 C ATOM 301 C LEU A 21 2.519 -2.296 4.074 1.00 0.00 C ATOM 302 O LEU A 21 2.758 -1.919 5.195 1.00 0.00 O ATOM 303 CB LEU A 21 3.374 -1.727 1.768 1.00 0.00 C ATOM 304 CG LEU A 21 3.804 -0.261 1.903 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.225 0.353 3.159 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.324 -0.159 1.967 1.00 0.00 C ATOM 0 H LEU A 21 3.419 -4.086 1.635 1.00 0.00 H new ATOM 0 HA LEU A 21 4.570 -2.191 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.911 -2.191 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.312 -1.776 1.526 1.00 0.00 H new ATOM 0 HG LEU A 21 3.432 0.277 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.542 1.393 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.137 0.308 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.578 -0.199 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.615 0.887 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.690 -0.718 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.755 -0.573 1.056 1.00 0.00 H new ATOM 318 N LEU A 22 1.303 -2.564 3.706 1.00 0.00 N ATOM 319 CA LEU A 22 0.189 -2.399 4.682 1.00 0.00 C ATOM 320 C LEU A 22 0.548 -3.086 5.982 1.00 0.00 C ATOM 321 O LEU A 22 0.464 -2.527 7.056 1.00 0.00 O ATOM 322 CB LEU A 22 -1.003 -3.119 4.038 1.00 0.00 C ATOM 323 CG LEU A 22 -1.720 -2.196 3.078 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.396 -1.104 3.891 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.711 -1.581 2.126 1.00 0.00 C ATOM 0 H LEU A 22 1.029 -2.888 2.779 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.021 -1.352 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.657 -4.007 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.693 -3.457 4.811 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.462 -2.745 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.921 -0.424 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.108 -1.554 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.644 -0.551 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.224 -0.915 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.027 -1.015 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.210 -2.371 1.567 1.00 0.00 H new ATOM 337 N GLU A 23 0.943 -4.304 5.865 1.00 0.00 N ATOM 338 CA GLU A 23 1.316 -5.105 7.056 1.00 0.00 C ATOM 339 C GLU A 23 2.314 -4.336 7.923 1.00 0.00 C ATOM 340 O GLU A 23 2.164 -4.242 9.124 1.00 0.00 O ATOM 341 CB GLU A 23 1.990 -6.349 6.468 1.00 0.00 C ATOM 342 CG GLU A 23 0.986 -7.488 6.382 1.00 0.00 C ATOM 343 CD GLU A 23 1.691 -8.751 5.863 1.00 0.00 C ATOM 344 OE1 GLU A 23 1.913 -8.842 4.669 1.00 0.00 O ATOM 345 OE2 GLU A 23 2.006 -9.604 6.677 1.00 0.00 O ATOM 0 H GLU A 23 1.028 -4.797 4.976 1.00 0.00 H new ATOM 0 HA GLU A 23 0.459 -5.340 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.385 -6.125 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.835 -6.644 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.550 -7.678 7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.167 -7.216 5.717 1.00 0.00 H new ATOM 352 N GLN A 24 3.331 -3.778 7.326 1.00 0.00 N ATOM 353 CA GLN A 24 4.328 -3.012 8.127 1.00 0.00 C ATOM 354 C GLN A 24 3.631 -1.867 8.826 1.00 0.00 C ATOM 355 O GLN A 24 3.812 -1.605 9.999 1.00 0.00 O ATOM 356 CB GLN A 24 5.275 -2.435 7.094 1.00 0.00 C ATOM 357 CG GLN A 24 6.462 -1.809 7.809 1.00 0.00 C ATOM 358 CD GLN A 24 7.200 -2.880 8.607 1.00 0.00 C ATOM 359 OE1 GLN A 24 7.649 -2.630 9.703 1.00 0.00 O ATOM 360 NE2 GLN A 24 7.343 -4.074 8.104 1.00 0.00 N ATOM 0 H GLN A 24 3.515 -3.819 6.323 1.00 0.00 H new ATOM 0 HA GLN A 24 4.827 -3.629 8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.614 -3.217 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.762 -1.687 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.136 -1.351 7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.122 -1.015 8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.965 -4.287 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.832 -4.795 8.634 1.00 0.00 H new ATOM 369 N LEU A 25 2.834 -1.195 8.072 1.00 0.00 N ATOM 370 CA LEU A 25 2.078 -0.048 8.581 1.00 0.00 C ATOM 371 C LEU A 25 1.001 -0.555 9.546 1.00 0.00 C ATOM 372 O LEU A 25 0.470 0.191 10.343 1.00 0.00 O ATOM 373 CB LEU A 25 1.523 0.577 7.307 1.00 0.00 C ATOM 374 CG LEU A 25 2.641 1.370 6.595 1.00 0.00 C ATOM 375 CD1 LEU A 25 3.875 0.498 6.317 1.00 0.00 C ATOM 376 CD2 LEU A 25 2.126 1.933 5.264 1.00 0.00 C ATOM 0 H LEU A 25 2.671 -1.403 7.087 1.00 0.00 H new ATOM 0 HA LEU A 25 2.649 0.681 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.136 -0.199 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.689 1.237 7.546 1.00 0.00 H new ATOM 0 HG LEU A 25 2.932 2.181 7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.637 1.095 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.273 0.119 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.592 -0.340 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.923 2.490 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.806 1.113 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.282 2.597 5.452 1.00 0.00 H new ATOM 388 N ASP A 26 0.716 -1.834 9.473 1.00 0.00 N ATOM 389 CA ASP A 26 -0.282 -2.483 10.378 1.00 0.00 C ATOM 390 C ASP A 26 -1.704 -2.234 9.909 1.00 0.00 C ATOM 391 O ASP A 26 -2.606 -2.053 10.700 1.00 0.00 O ATOM 392 CB ASP A 26 -0.049 -1.860 11.746 1.00 0.00 C ATOM 393 CG ASP A 26 -0.674 -2.740 12.827 1.00 0.00 C ATOM 394 OD1 ASP A 26 -0.424 -3.935 12.806 1.00 0.00 O ATOM 395 OD2 ASP A 26 -1.394 -2.209 13.656 1.00 0.00 O ATOM 0 H ASP A 26 1.147 -2.471 8.804 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.157 -3.566 10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.020 -1.748 11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.484 -0.861 11.780 1.00 0.00 H new ATOM 475 N ALA A 32 -9.472 -2.388 1.364 1.00 0.00 N ATOM 476 CA ALA A 32 -9.044 -1.051 0.851 1.00 0.00 C ATOM 477 C ALA A 32 -8.440 -1.192 -0.550 1.00 0.00 C ATOM 478 O ALA A 32 -8.157 -2.281 -1.008 1.00 0.00 O ATOM 479 CB ALA A 32 -7.962 -0.556 1.815 1.00 0.00 C ATOM 0 HA ALA A 32 -9.888 -0.364 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.607 0.423 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.378 -0.478 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.130 -1.260 1.821 1.00 0.00 H new ATOM 485 N ALA A 33 -8.209 -0.098 -1.204 1.00 0.00 N ATOM 486 CA ALA A 33 -7.579 -0.144 -2.545 1.00 0.00 C ATOM 487 C ALA A 33 -6.526 0.957 -2.561 1.00 0.00 C ATOM 488 O ALA A 33 -6.610 1.893 -1.791 1.00 0.00 O ATOM 489 CB ALA A 33 -8.714 0.111 -3.541 1.00 0.00 C ATOM 0 H ALA A 33 -8.432 0.838 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.092 -1.087 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.318 0.091 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.474 -0.663 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.159 1.087 -3.344 1.00 0.00 H new ATOM 495 N LEU A 34 -5.501 0.856 -3.357 1.00 0.00 N ATOM 496 CA LEU A 34 -4.470 1.924 -3.273 1.00 0.00 C ATOM 497 C LEU A 34 -3.805 2.250 -4.622 1.00 0.00 C ATOM 498 O LEU A 34 -3.728 1.426 -5.514 1.00 0.00 O ATOM 499 CB LEU A 34 -3.453 1.372 -2.267 1.00 0.00 C ATOM 500 CG LEU A 34 -2.032 1.426 -2.845 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.010 1.179 -1.741 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.877 0.360 -3.929 1.00 0.00 C ATOM 0 H LEU A 34 -5.334 0.113 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.911 2.874 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.497 1.950 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.708 0.343 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.862 2.412 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.005 1.219 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.113 1.944 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.180 0.197 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.867 0.401 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.055 -0.625 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.598 0.543 -4.725 1.00 0.00 H new ATOM 514 N ALA A 35 -3.290 3.450 -4.754 1.00 0.00 N ATOM 515 CA ALA A 35 -2.606 3.820 -6.022 1.00 0.00 C ATOM 516 C ALA A 35 -1.159 4.166 -5.754 1.00 0.00 C ATOM 517 O ALA A 35 -0.856 5.133 -5.090 1.00 0.00 O ATOM 518 CB ALA A 35 -3.331 5.046 -6.561 1.00 0.00 C ATOM 0 H ALA A 35 -3.316 4.180 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.628 2.994 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.867 5.361 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.378 4.800 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.268 5.855 -5.834 1.00 0.00 H new ATOM 524 N ILE A 36 -0.254 3.394 -6.269 1.00 0.00 N ATOM 525 CA ILE A 36 1.167 3.718 -6.018 1.00 0.00 C ATOM 526 C ILE A 36 1.780 4.435 -7.212 1.00 0.00 C ATOM 527 O ILE A 36 1.593 4.064 -8.350 1.00 0.00 O ATOM 528 CB ILE A 36 1.864 2.393 -5.764 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.230 1.735 -4.528 1.00 0.00 C ATOM 530 CG2 ILE A 36 3.350 2.686 -5.524 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.848 0.357 -4.255 1.00 0.00 C ATOM 0 H ILE A 36 -0.431 2.569 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 36 1.274 4.389 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 36 1.760 1.715 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.369 2.378 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.155 1.631 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.880 1.752 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.771 3.173 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.457 3.342 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.380 -0.084 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.686 -0.292 -5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.918 0.466 -4.080 1.00 0.00 H new ATOM 543 N ASN A 37 2.515 5.477 -6.975 1.00 0.00 N ATOM 544 CA ASN A 37 3.111 6.197 -8.119 1.00 0.00 C ATOM 545 C ASN A 37 2.004 6.537 -9.110 1.00 0.00 C ATOM 546 O ASN A 37 2.255 6.732 -10.278 1.00 0.00 O ATOM 547 CB ASN A 37 4.093 5.209 -8.742 1.00 0.00 C ATOM 548 CG ASN A 37 5.436 5.282 -8.016 1.00 0.00 C ATOM 549 OD1 ASN A 37 6.473 5.302 -8.648 1.00 0.00 O ATOM 550 ND2 ASN A 37 5.473 5.328 -6.712 1.00 0.00 N ATOM 0 H ASN A 37 2.726 5.856 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 37 3.606 7.124 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.692 4.197 -8.682 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.229 5.436 -9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.370 5.380 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.605 5.312 -6.176 1.00 0.00 H new ATOM 557 N GLN A 38 0.783 6.593 -8.627 1.00 0.00 N ATOM 558 CA GLN A 38 -0.408 6.914 -9.487 1.00 0.00 C ATOM 559 C GLN A 38 -0.967 5.651 -10.150 1.00 0.00 C ATOM 560 O GLN A 38 -1.746 5.721 -11.083 1.00 0.00 O ATOM 561 CB GLN A 38 0.046 7.961 -10.518 1.00 0.00 C ATOM 562 CG GLN A 38 0.444 7.313 -11.856 1.00 0.00 C ATOM 563 CD GLN A 38 -0.624 7.620 -12.904 1.00 0.00 C ATOM 564 OE1 GLN A 38 -1.442 6.785 -13.227 1.00 0.00 O ATOM 565 NE2 GLN A 38 -0.637 8.796 -13.460 1.00 0.00 N ATOM 0 H GLN A 38 0.556 6.425 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.224 7.317 -8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.758 8.677 -10.686 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.892 8.520 -10.119 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.411 7.694 -12.184 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.550 6.235 -11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.052 9.497 -13.187 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.336 9.017 -14.169 1.00 0.00 H new ATOM 574 N GLN A 39 -0.595 4.498 -9.670 1.00 0.00 N ATOM 575 CA GLN A 39 -1.138 3.243 -10.258 1.00 0.00 C ATOM 576 C GLN A 39 -2.068 2.586 -9.251 1.00 0.00 C ATOM 577 O GLN A 39 -1.643 2.039 -8.255 1.00 0.00 O ATOM 578 CB GLN A 39 0.063 2.337 -10.564 1.00 0.00 C ATOM 579 CG GLN A 39 0.603 1.706 -9.281 1.00 0.00 C ATOM 580 CD GLN A 39 2.046 1.259 -9.491 1.00 0.00 C ATOM 581 OE1 GLN A 39 2.974 1.938 -9.094 1.00 0.00 O ATOM 582 NE2 GLN A 39 2.277 0.135 -10.115 1.00 0.00 N ATOM 0 H GLN A 39 0.060 4.370 -8.898 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.706 3.433 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.234 1.555 -11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.848 2.917 -11.049 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.551 2.424 -8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.014 0.853 -8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.498 -0.433 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.236 -0.174 -10.270 1.00 0.00 H new ATOM 591 N ILE A 40 -3.338 2.633 -9.502 1.00 0.00 N ATOM 592 CA ILE A 40 -4.288 1.999 -8.561 1.00 0.00 C ATOM 593 C ILE A 40 -4.242 0.484 -8.764 1.00 0.00 C ATOM 594 O ILE A 40 -4.712 -0.029 -9.755 1.00 0.00 O ATOM 595 CB ILE A 40 -5.666 2.558 -8.941 1.00 0.00 C ATOM 596 CG1 ILE A 40 -5.922 3.867 -8.191 1.00 0.00 C ATOM 597 CG2 ILE A 40 -6.754 1.538 -8.589 1.00 0.00 C ATOM 598 CD1 ILE A 40 -5.559 5.037 -9.109 1.00 0.00 C ATOM 0 H ILE A 40 -3.759 3.082 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.056 2.203 -7.516 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.689 2.751 -10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.968 3.932 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.326 3.903 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.730 1.939 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.577 0.613 -9.137 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.730 1.335 -7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.737 5.977 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.507 4.969 -9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.175 4.999 -10.008 1.00 0.00 H new ATOM 610 N VAL A 41 -3.680 -0.232 -7.835 1.00 0.00 N ATOM 611 CA VAL A 41 -3.612 -1.714 -7.986 1.00 0.00 C ATOM 612 C VAL A 41 -4.710 -2.375 -7.203 1.00 0.00 C ATOM 613 O VAL A 41 -5.096 -1.900 -6.150 1.00 0.00 O ATOM 614 CB VAL A 41 -2.315 -2.134 -7.356 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.183 -3.648 -7.472 1.00 0.00 C ATOM 616 CG2 VAL A 41 -1.161 -1.443 -8.053 1.00 0.00 C ATOM 0 H VAL A 41 -3.266 0.140 -6.980 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.700 -1.990 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.298 -1.850 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.245 -3.967 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.016 -4.126 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.193 -3.935 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.222 -1.750 -7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.156 -1.718 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.274 -0.363 -7.960 1.00 0.00 H new ATOM 626 N PRO A 42 -5.161 -3.473 -7.709 1.00 0.00 N ATOM 627 CA PRO A 42 -6.201 -4.201 -6.996 1.00 0.00 C ATOM 628 C PRO A 42 -5.632 -4.924 -5.788 1.00 0.00 C ATOM 629 O PRO A 42 -4.714 -5.705 -5.874 1.00 0.00 O ATOM 630 CB PRO A 42 -6.713 -5.188 -8.002 1.00 0.00 C ATOM 631 CG PRO A 42 -5.608 -5.385 -8.982 1.00 0.00 C ATOM 632 CD PRO A 42 -4.770 -4.135 -8.967 1.00 0.00 C ATOM 0 HA PRO A 42 -6.980 -3.540 -6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.982 -6.129 -7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.610 -4.813 -8.495 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.007 -6.254 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.007 -5.568 -9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.705 -4.366 -8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.974 -3.505 -9.832 1.00 0.00 H new ATOM 640 N ARG A 43 -6.198 -4.644 -4.675 1.00 0.00 N ATOM 641 CA ARG A 43 -5.776 -5.271 -3.381 1.00 0.00 C ATOM 642 C ARG A 43 -5.116 -6.633 -3.557 1.00 0.00 C ATOM 643 O ARG A 43 -4.056 -6.898 -3.042 1.00 0.00 O ATOM 644 CB ARG A 43 -7.072 -5.470 -2.596 1.00 0.00 C ATOM 645 CG ARG A 43 -8.207 -5.987 -3.496 1.00 0.00 C ATOM 646 CD ARG A 43 -8.507 -7.459 -3.185 1.00 0.00 C ATOM 647 NE ARG A 43 -9.166 -7.464 -1.850 1.00 0.00 N ATOM 648 CZ ARG A 43 -9.569 -8.593 -1.329 1.00 0.00 C ATOM 649 NH1 ARG A 43 -10.754 -9.069 -1.614 1.00 0.00 N ATOM 650 NH2 ARG A 43 -8.777 -9.264 -0.535 1.00 0.00 N ATOM 0 H ARG A 43 -6.969 -3.982 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.042 -4.632 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.901 -6.176 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.370 -4.526 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.104 -5.386 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.927 -5.880 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.157 -7.895 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.592 -8.051 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.303 -6.589 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.370 -8.558 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.062 -9.951 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.846 -8.907 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.090 -10.145 -0.128 1.00 0.00 H new ATOM 664 N GLU A 44 -5.764 -7.509 -4.250 1.00 0.00 N ATOM 665 CA GLU A 44 -5.216 -8.878 -4.427 1.00 0.00 C ATOM 666 C GLU A 44 -3.743 -8.839 -4.849 1.00 0.00 C ATOM 667 O GLU A 44 -2.932 -9.628 -4.391 1.00 0.00 O ATOM 668 CB GLU A 44 -6.100 -9.457 -5.507 1.00 0.00 C ATOM 669 CG GLU A 44 -5.671 -10.894 -5.816 1.00 0.00 C ATOM 670 CD GLU A 44 -6.601 -11.881 -5.110 1.00 0.00 C ATOM 671 OE1 GLU A 44 -7.309 -11.456 -4.212 1.00 0.00 O ATOM 672 OE2 GLU A 44 -6.586 -13.045 -5.476 1.00 0.00 O ATOM 0 H GLU A 44 -6.659 -7.339 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.223 -9.470 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.141 -9.440 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.035 -8.847 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.694 -11.066 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.643 -11.053 -5.490 1.00 0.00 H new ATOM 679 N GLN A 45 -3.389 -7.927 -5.705 1.00 0.00 N ATOM 680 CA GLN A 45 -1.964 -7.834 -6.142 1.00 0.00 C ATOM 681 C GLN A 45 -1.077 -7.407 -4.969 1.00 0.00 C ATOM 682 O GLN A 45 0.081 -7.761 -4.904 1.00 0.00 O ATOM 683 CB GLN A 45 -1.916 -6.762 -7.232 1.00 0.00 C ATOM 684 CG GLN A 45 -2.674 -7.229 -8.471 1.00 0.00 C ATOM 685 CD GLN A 45 -1.740 -8.033 -9.378 1.00 0.00 C ATOM 686 OE1 GLN A 45 -0.556 -7.750 -9.465 1.00 0.00 O ATOM 687 NE2 GLN A 45 -2.216 -9.027 -10.070 1.00 0.00 N ATOM 0 H GLN A 45 -4.019 -7.242 -6.122 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.604 -8.796 -6.505 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.352 -5.835 -6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.880 -6.545 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.527 -7.841 -8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.070 -6.369 -9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.205 -9.269 -10.002 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.600 -9.564 -10.681 1.00 0.00 H new ATOM 696 N TRP A 46 -1.609 -6.643 -4.048 1.00 0.00 N ATOM 697 CA TRP A 46 -0.796 -6.204 -2.891 1.00 0.00 C ATOM 698 C TRP A 46 0.050 -7.358 -2.385 1.00 0.00 C ATOM 699 O TRP A 46 1.185 -7.194 -1.987 1.00 0.00 O ATOM 700 CB TRP A 46 -1.815 -5.827 -1.817 1.00 0.00 C ATOM 701 CG TRP A 46 -2.548 -4.574 -2.200 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.430 -3.918 -3.378 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.516 -3.825 -1.415 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.253 -2.804 -3.347 1.00 0.00 N ATOM 705 CE2 TRP A 46 -3.952 -2.718 -2.169 1.00 0.00 C ATOM 706 CE3 TRP A 46 -4.059 -4.012 -0.140 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.885 -1.814 -1.663 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -5.001 -3.108 0.370 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.421 -2.014 -0.395 1.00 0.00 C ATOM 0 H TRP A 46 -2.572 -6.308 -4.054 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.128 -5.382 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.525 -6.642 -1.680 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.309 -5.681 -0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.800 -4.213 -4.204 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.330 -2.129 -4.108 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.751 -4.858 0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.190 -0.962 -2.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.406 -3.257 1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.158 -1.328 -0.003 1.00 0.00 H new ATOM 720 N ALA A 47 -0.511 -8.525 -2.391 1.00 0.00 N ATOM 721 CA ALA A 47 0.226 -9.720 -1.900 1.00 0.00 C ATOM 722 C ALA A 47 1.420 -10.049 -2.797 1.00 0.00 C ATOM 723 O ALA A 47 2.312 -10.774 -2.415 1.00 0.00 O ATOM 724 CB ALA A 47 -0.805 -10.830 -1.967 1.00 0.00 C ATOM 0 H ALA A 47 -1.460 -8.709 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 47 0.636 -9.571 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.358 -11.763 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.653 -10.578 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.146 -10.949 -2.996 1.00 0.00 H new ATOM 730 N GLN A 48 1.450 -9.524 -3.983 1.00 0.00 N ATOM 731 CA GLN A 48 2.596 -9.817 -4.883 1.00 0.00 C ATOM 732 C GLN A 48 3.056 -8.517 -5.530 1.00 0.00 C ATOM 733 O GLN A 48 3.805 -8.507 -6.495 1.00 0.00 O ATOM 734 CB GLN A 48 2.039 -10.789 -5.924 1.00 0.00 C ATOM 735 CG GLN A 48 1.402 -11.973 -5.195 1.00 0.00 C ATOM 736 CD GLN A 48 0.832 -12.970 -6.203 1.00 0.00 C ATOM 737 OE1 GLN A 48 1.352 -14.058 -6.361 1.00 0.00 O ATOM 738 NE2 GLN A 48 -0.235 -12.652 -6.886 1.00 0.00 N ATOM 0 H GLN A 48 0.735 -8.907 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 48 3.456 -10.245 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.301 -10.289 -6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.835 -11.135 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.145 -12.465 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.610 -11.619 -4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.672 -11.740 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.631 -13.316 -7.551 1.00 0.00 H new ATOM 747 N HIS A 49 2.593 -7.418 -4.999 1.00 0.00 N ATOM 748 CA HIS A 49 2.953 -6.081 -5.546 1.00 0.00 C ATOM 749 C HIS A 49 4.106 -5.480 -4.748 1.00 0.00 C ATOM 750 O HIS A 49 3.906 -4.643 -3.892 1.00 0.00 O ATOM 751 CB HIS A 49 1.684 -5.263 -5.353 1.00 0.00 C ATOM 752 CG HIS A 49 1.928 -3.830 -5.743 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.914 -2.887 -5.728 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.055 -3.159 -6.150 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.444 -1.712 -6.109 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.746 -1.823 -6.380 1.00 0.00 N ATOM 0 H HIS A 49 1.968 -7.392 -4.193 1.00 0.00 H new ATOM 0 HA HIS A 49 3.280 -6.115 -6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.878 -5.680 -5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.363 -5.315 -4.313 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.032 -3.602 -6.273 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.885 -0.791 -6.186 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.379 -1.086 -6.690 1.00 0.00 H new ATOM 764 N ILE A 50 5.308 -5.921 -5.034 1.00 0.00 N ATOM 765 CA ILE A 50 6.519 -5.427 -4.317 1.00 0.00 C ATOM 766 C ILE A 50 6.584 -3.913 -4.329 1.00 0.00 C ATOM 767 O ILE A 50 6.461 -3.269 -5.350 1.00 0.00 O ATOM 768 CB ILE A 50 7.710 -5.988 -5.094 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.765 -7.505 -4.910 1.00 0.00 C ATOM 770 CG2 ILE A 50 9.014 -5.359 -4.578 1.00 0.00 C ATOM 771 CD1 ILE A 50 8.115 -7.835 -3.457 1.00 0.00 C ATOM 0 H ILE A 50 5.501 -6.619 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 50 6.508 -5.742 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 50 7.595 -5.751 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.804 -7.948 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.509 -7.936 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.859 -5.763 -5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.974 -4.278 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.135 -5.589 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.153 -8.917 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.086 -7.406 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.355 -7.418 -2.796 1.00 0.00 H new ATOM 783 N VAL A 51 6.776 -3.364 -3.188 1.00 0.00 N ATOM 784 CA VAL A 51 6.857 -1.907 -3.039 1.00 0.00 C ATOM 785 C VAL A 51 8.310 -1.478 -3.110 1.00 0.00 C ATOM 786 O VAL A 51 9.198 -2.196 -2.698 1.00 0.00 O ATOM 787 CB VAL A 51 6.301 -1.687 -1.659 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.175 -0.202 -1.404 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.931 -2.375 -1.576 1.00 0.00 C ATOM 0 H VAL A 51 6.885 -3.884 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 51 6.325 -1.344 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 51 6.961 -2.110 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.772 -0.037 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.157 0.265 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.505 0.238 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.509 -2.228 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.262 -1.945 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.048 -3.442 -1.766 1.00 0.00 H new ATOM 799 N GLN A 52 8.568 -0.331 -3.648 1.00 0.00 N ATOM 800 CA GLN A 52 9.985 0.117 -3.758 1.00 0.00 C ATOM 801 C GLN A 52 10.280 1.342 -2.907 1.00 0.00 C ATOM 802 O GLN A 52 9.414 2.153 -2.643 1.00 0.00 O ATOM 803 CB GLN A 52 10.152 0.546 -5.197 1.00 0.00 C ATOM 804 CG GLN A 52 9.964 -0.645 -6.139 1.00 0.00 C ATOM 805 CD GLN A 52 11.145 -1.603 -5.996 1.00 0.00 C ATOM 806 OE1 GLN A 52 12.029 -1.626 -6.828 1.00 0.00 O ATOM 807 NE2 GLN A 52 11.206 -2.393 -4.966 1.00 0.00 N ATOM 0 H GLN A 52 7.871 0.317 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 52 10.644 -0.688 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.427 1.324 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.142 0.978 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.033 -1.162 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.887 -0.298 -7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.465 -2.376 -4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.995 -3.030 -4.858 1.00 0.00 H new ATOM 816 N ASP A 53 11.520 1.506 -2.551 1.00 0.00 N ATOM 817 CA ASP A 53 11.920 2.716 -1.792 1.00 0.00 C ATOM 818 C ASP A 53 11.449 3.935 -2.565 1.00 0.00 C ATOM 819 O ASP A 53 11.843 4.184 -3.693 1.00 0.00 O ATOM 820 CB ASP A 53 13.433 2.654 -1.742 1.00 0.00 C ATOM 821 CG ASP A 53 14.025 4.070 -1.732 1.00 0.00 C ATOM 822 OD1 ASP A 53 14.037 4.694 -2.781 1.00 0.00 O ATOM 823 OD2 ASP A 53 14.451 4.505 -0.675 1.00 0.00 O ATOM 0 H ASP A 53 12.275 0.851 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 53 11.495 2.771 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.752 2.113 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.810 2.101 -2.603 1.00 0.00 H new ATOM 828 N GLY A 54 10.570 4.650 -1.980 1.00 0.00 N ATOM 829 CA GLY A 54 9.965 5.823 -2.641 1.00 0.00 C ATOM 830 C GLY A 54 8.540 5.402 -2.948 1.00 0.00 C ATOM 831 O GLY A 54 7.801 6.073 -3.636 1.00 0.00 O ATOM 0 H GLY A 54 10.226 4.473 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.988 6.698 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.504 6.087 -3.551 1.00 0.00 H new ATOM 835 N ASP A 55 8.158 4.259 -2.442 1.00 0.00 N ATOM 836 CA ASP A 55 6.807 3.751 -2.687 1.00 0.00 C ATOM 837 C ASP A 55 5.752 4.820 -2.408 1.00 0.00 C ATOM 838 O ASP A 55 5.392 5.073 -1.284 1.00 0.00 O ATOM 839 CB ASP A 55 6.668 2.607 -1.703 1.00 0.00 C ATOM 840 CG ASP A 55 5.183 2.348 -1.418 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.376 2.626 -2.287 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.882 1.892 -0.327 1.00 0.00 O ATOM 0 H ASP A 55 8.745 3.658 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 55 6.661 3.448 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.133 1.708 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.190 2.846 -0.776 1.00 0.00 H new ATOM 847 N GLN A 56 5.209 5.414 -3.405 1.00 0.00 N ATOM 848 CA GLN A 56 4.138 6.401 -3.141 1.00 0.00 C ATOM 849 C GLN A 56 2.809 5.649 -3.114 1.00 0.00 C ATOM 850 O GLN A 56 2.662 4.642 -3.757 1.00 0.00 O ATOM 851 CB GLN A 56 4.240 7.395 -4.292 1.00 0.00 C ATOM 852 CG GLN A 56 2.924 8.132 -4.464 1.00 0.00 C ATOM 853 CD GLN A 56 3.172 9.637 -4.283 1.00 0.00 C ATOM 854 OE1 GLN A 56 4.187 10.143 -4.718 1.00 0.00 O ATOM 855 NE2 GLN A 56 2.301 10.377 -3.648 1.00 0.00 N ATOM 0 H GLN A 56 5.450 5.269 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 56 4.221 6.927 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.042 8.107 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.495 6.871 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.507 7.934 -5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.196 7.779 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.447 9.958 -3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.476 11.374 -3.520 1.00 0.00 H new ATOM 864 N ILE A 57 1.864 6.073 -2.335 1.00 0.00 N ATOM 865 CA ILE A 57 0.605 5.298 -2.281 1.00 0.00 C ATOM 866 C ILE A 57 -0.633 6.186 -2.189 1.00 0.00 C ATOM 867 O ILE A 57 -0.632 7.237 -1.576 1.00 0.00 O ATOM 868 CB ILE A 57 0.730 4.467 -1.013 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.790 3.386 -1.184 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.601 3.821 -0.684 1.00 0.00 C ATOM 871 CD1 ILE A 57 1.990 2.701 0.160 1.00 0.00 C ATOM 0 H ILE A 57 1.905 6.904 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 57 0.476 4.707 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 57 1.026 5.127 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.477 2.662 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.726 3.823 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.503 3.228 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.354 4.595 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.905 3.175 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.746 1.922 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.318 3.434 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.050 2.256 0.485 1.00 0.00 H new ATOM 883 N LEU A 58 -1.708 5.733 -2.752 1.00 0.00 N ATOM 884 CA LEU A 58 -2.985 6.483 -2.657 1.00 0.00 C ATOM 885 C LEU A 58 -3.999 5.553 -2.019 1.00 0.00 C ATOM 886 O LEU A 58 -4.172 4.453 -2.472 1.00 0.00 O ATOM 887 CB LEU A 58 -3.378 6.835 -4.086 1.00 0.00 C ATOM 888 CG LEU A 58 -3.327 8.358 -4.291 1.00 0.00 C ATOM 889 CD1 LEU A 58 -2.916 8.661 -5.730 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.699 8.964 -4.038 1.00 0.00 C ATOM 0 H LEU A 58 -1.759 4.863 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.917 7.393 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.704 6.344 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.382 6.466 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.605 8.785 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.879 9.740 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.932 8.234 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.643 8.225 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.653 10.043 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.421 8.533 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.008 8.751 -3.015 1.00 0.00 H new ATOM 902 N LEU A 59 -4.632 5.929 -0.950 1.00 0.00 N ATOM 903 CA LEU A 59 -5.579 4.972 -0.314 1.00 0.00 C ATOM 904 C LEU A 59 -7.038 5.329 -0.559 1.00 0.00 C ATOM 905 O LEU A 59 -7.489 6.431 -0.303 1.00 0.00 O ATOM 906 CB LEU A 59 -5.267 5.021 1.183 1.00 0.00 C ATOM 907 CG LEU A 59 -6.272 4.154 1.941 1.00 0.00 C ATOM 908 CD1 LEU A 59 -6.239 2.719 1.404 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.913 4.173 3.433 1.00 0.00 C ATOM 0 H LEU A 59 -4.541 6.837 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.449 3.978 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.253 4.666 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.314 6.049 1.542 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.279 4.547 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.958 2.109 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.496 2.721 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.239 2.305 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.623 3.558 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.906 3.778 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.954 5.197 3.804 1.00 0.00 H new ATOM 921 N PHE A 60 -7.781 4.349 -0.992 1.00 0.00 N ATOM 922 CA PHE A 60 -9.241 4.507 -1.198 1.00 0.00 C ATOM 923 C PHE A 60 -9.853 3.177 -0.734 1.00 0.00 C ATOM 924 O PHE A 60 -9.548 2.134 -1.276 1.00 0.00 O ATOM 925 CB PHE A 60 -9.471 4.768 -2.703 1.00 0.00 C ATOM 926 CG PHE A 60 -8.397 4.132 -3.569 1.00 0.00 C ATOM 927 CD1 PHE A 60 -7.092 4.644 -3.558 1.00 0.00 C ATOM 928 CD2 PHE A 60 -8.724 3.067 -4.419 1.00 0.00 C ATOM 929 CE1 PHE A 60 -6.113 4.087 -4.391 1.00 0.00 C ATOM 930 CE2 PHE A 60 -7.746 2.514 -5.259 1.00 0.00 C ATOM 931 CZ PHE A 60 -6.439 3.019 -5.240 1.00 0.00 C ATOM 0 H PHE A 60 -7.423 3.421 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.691 5.334 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.447 4.377 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.492 5.843 -2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.841 5.468 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.729 2.672 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.107 4.480 -4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.000 1.699 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.683 2.586 -5.879 1.00 0.00 H new