USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 462 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -143:sc= 0.0344 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.177 K(o=-0.18,f=-2!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.081) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -130:sc= -2.8! USER MOD Single : A 32 SER OG : rot -56:sc= 0.488 USER MOD Single : A 33 ASN : amide:sc=-0.000922 K(o=-0.00092,f=-1.3!) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.129 F(o=-0.68,f=-0.13) USER MOD Single : A 45 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.077) USER MOD Single : A 48 TYR OH : rot 15:sc= -1.73! USER MOD Single : A 51 SER OG : rot -178:sc= -4.28! USER MOD Single : A 52 ASN : amide:sc= -4.52! C(o=-4.5!,f=-13!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0653 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 42.572 48.608 -35.326 1.00 0.00 N ATOM 2 CA LEU A 1 42.815 49.915 -34.654 1.00 0.00 C ATOM 3 C LEU A 1 41.558 50.782 -34.757 1.00 0.00 C ATOM 4 O LEU A 1 40.456 50.283 -34.857 1.00 0.00 O ATOM 5 CB LEU A 1 43.987 50.627 -35.334 1.00 0.00 C ATOM 6 CG LEU A 1 44.882 51.267 -34.273 1.00 0.00 C ATOM 7 CD1 LEU A 1 45.589 50.172 -33.471 1.00 0.00 C ATOM 8 CD2 LEU A 1 45.928 52.152 -34.954 1.00 0.00 C ATOM 0 H1 LEU A 1 43.045 47.850 -34.793 1.00 0.00 H new ATOM 0 H2 LEU A 1 41.550 48.420 -35.361 1.00 0.00 H new ATOM 0 H3 LEU A 1 42.951 48.640 -36.294 1.00 0.00 H new ATOM 0 HA LEU A 1 43.054 49.747 -33.604 1.00 0.00 H new ATOM 0 HB2 LEU A 1 44.561 49.917 -35.929 1.00 0.00 H new ATOM 0 HB3 LEU A 1 43.615 51.389 -36.019 1.00 0.00 H new ATOM 0 HG LEU A 1 44.272 51.873 -33.603 1.00 0.00 H new ATOM 0 HD11 LEU A 1 46.227 50.629 -32.715 1.00 0.00 H new ATOM 0 HD12 LEU A 1 44.846 49.540 -32.985 1.00 0.00 H new ATOM 0 HD13 LEU A 1 46.198 49.566 -34.141 1.00 0.00 H new ATOM 0 HD21 LEU A 1 46.566 52.609 -34.198 1.00 0.00 H new ATOM 0 HD22 LEU A 1 46.537 51.546 -35.625 1.00 0.00 H new ATOM 0 HD23 LEU A 1 45.427 52.933 -35.526 1.00 0.00 H new ATOM 22 N LYS A 2 41.713 52.078 -34.731 1.00 0.00 N ATOM 23 CA LYS A 2 40.525 52.971 -34.824 1.00 0.00 C ATOM 24 C LYS A 2 40.606 53.800 -36.107 1.00 0.00 C ATOM 25 O LYS A 2 41.552 53.701 -36.863 1.00 0.00 O ATOM 26 CB LYS A 2 40.494 53.905 -33.614 1.00 0.00 C ATOM 27 CG LYS A 2 41.025 53.165 -32.386 1.00 0.00 C ATOM 28 CD LYS A 2 40.695 53.967 -31.125 1.00 0.00 C ATOM 29 CE LYS A 2 41.715 53.642 -30.033 1.00 0.00 C ATOM 30 NZ LYS A 2 42.253 54.910 -29.465 1.00 0.00 N ATOM 0 H LYS A 2 42.610 52.556 -34.649 1.00 0.00 H new ATOM 0 HA LYS A 2 39.618 52.367 -34.841 1.00 0.00 H new ATOM 0 HB2 LYS A 2 41.100 54.790 -33.809 1.00 0.00 H new ATOM 0 HB3 LYS A 2 39.476 54.249 -33.433 1.00 0.00 H new ATOM 0 HG2 LYS A 2 40.579 52.172 -32.326 1.00 0.00 H new ATOM 0 HG3 LYS A 2 42.103 53.026 -32.470 1.00 0.00 H new ATOM 0 HD2 LYS A 2 40.710 55.034 -31.346 1.00 0.00 H new ATOM 0 HD3 LYS A 2 39.689 53.727 -30.781 1.00 0.00 H new ATOM 0 HE2 LYS A 2 41.247 53.049 -29.248 1.00 0.00 H new ATOM 0 HE3 LYS A 2 42.526 53.042 -30.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 42.947 54.691 -28.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 42.714 55.460 -30.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 41.474 55.466 -29.058 1.00 0.00 H new ATOM 44 N LYS A 3 39.619 54.616 -36.358 1.00 0.00 N ATOM 45 CA LYS A 3 39.637 55.450 -37.590 1.00 0.00 C ATOM 46 C LYS A 3 39.519 56.927 -37.209 1.00 0.00 C ATOM 47 O LYS A 3 38.434 57.442 -37.018 1.00 0.00 O ATOM 48 CB LYS A 3 38.455 55.064 -38.483 1.00 0.00 C ATOM 49 CG LYS A 3 38.919 54.060 -39.539 1.00 0.00 C ATOM 50 CD LYS A 3 37.701 53.493 -40.272 1.00 0.00 C ATOM 51 CE LYS A 3 37.741 53.920 -41.741 1.00 0.00 C ATOM 52 NZ LYS A 3 36.853 53.032 -42.541 1.00 0.00 N ATOM 0 H LYS A 3 38.801 54.740 -35.762 1.00 0.00 H new ATOM 0 HA LYS A 3 40.572 55.284 -38.126 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.657 54.631 -37.880 1.00 0.00 H new ATOM 0 HB3 LYS A 3 38.045 55.951 -38.965 1.00 0.00 H new ATOM 0 HG2 LYS A 3 39.590 54.545 -40.248 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.481 53.254 -39.068 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.694 52.405 -40.199 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.784 53.850 -39.804 1.00 0.00 H new ATOM 0 HE2 LYS A 3 37.419 54.957 -41.838 1.00 0.00 H new ATOM 0 HE3 LYS A 3 38.762 53.867 -42.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.880 53.322 -43.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 37.179 52.048 -42.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 35.878 53.105 -42.186 1.00 0.00 H new ATOM 66 N VAL A 4 40.622 57.619 -37.101 1.00 0.00 N ATOM 67 CA VAL A 4 40.556 59.062 -36.736 1.00 0.00 C ATOM 68 C VAL A 4 39.577 59.759 -37.684 1.00 0.00 C ATOM 69 O VAL A 4 39.807 59.842 -38.874 1.00 0.00 O ATOM 70 CB VAL A 4 41.944 59.686 -36.871 1.00 0.00 C ATOM 71 CG1 VAL A 4 42.338 59.757 -38.344 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.930 61.095 -36.286 1.00 0.00 C ATOM 0 H VAL A 4 41.561 57.249 -37.249 1.00 0.00 H new ATOM 0 HA VAL A 4 40.217 59.175 -35.706 1.00 0.00 H new ATOM 0 HB VAL A 4 42.665 59.072 -36.332 1.00 0.00 H new ATOM 0 HG11 VAL A 4 43.329 60.203 -38.435 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.352 58.752 -38.766 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.615 60.367 -38.885 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.921 61.539 -36.383 1.00 0.00 H new ATOM 0 HG22 VAL A 4 41.205 61.705 -36.824 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.655 61.049 -35.232 1.00 0.00 H new ATOM 82 N VAL A 5 38.475 60.238 -37.177 1.00 0.00 N ATOM 83 CA VAL A 5 37.480 60.898 -38.070 1.00 0.00 C ATOM 84 C VAL A 5 37.745 62.397 -38.192 1.00 0.00 C ATOM 85 O VAL A 5 38.055 63.064 -37.230 1.00 0.00 O ATOM 86 CB VAL A 5 36.074 60.680 -37.540 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.974 61.277 -36.146 1.00 0.00 C ATOM 88 CG2 VAL A 5 35.086 61.377 -38.472 1.00 0.00 C ATOM 0 H VAL A 5 38.221 60.202 -36.190 1.00 0.00 H new ATOM 0 HA VAL A 5 37.577 60.448 -39.058 1.00 0.00 H new ATOM 0 HB VAL A 5 35.846 59.615 -37.495 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.967 61.125 -35.757 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.694 60.790 -35.489 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.189 62.345 -36.191 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.071 61.229 -38.103 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.308 62.444 -38.505 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.173 60.957 -39.474 1.00 0.00 H new ATOM 98 N ALA A 6 37.594 62.924 -39.375 1.00 0.00 N ATOM 99 CA ALA A 6 37.823 64.379 -39.602 1.00 0.00 C ATOM 100 C ALA A 6 37.008 65.213 -38.608 1.00 0.00 C ATOM 101 O ALA A 6 36.390 64.690 -37.703 1.00 0.00 O ATOM 102 CB ALA A 6 37.394 64.732 -41.029 1.00 0.00 C ATOM 0 H ALA A 6 37.318 62.401 -40.206 1.00 0.00 H new ATOM 0 HA ALA A 6 38.881 64.600 -39.459 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.557 65.795 -41.206 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.982 64.151 -41.740 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.337 64.501 -41.159 1.00 0.00 H new ATOM 108 N LEU A 7 37.007 66.515 -38.771 1.00 0.00 N ATOM 109 CA LEU A 7 36.237 67.383 -37.835 1.00 0.00 C ATOM 110 C LEU A 7 35.747 68.647 -38.554 1.00 0.00 C ATOM 111 O LEU A 7 34.563 68.837 -38.746 1.00 0.00 O ATOM 112 CB LEU A 7 37.136 67.792 -36.671 1.00 0.00 C ATOM 113 CG LEU A 7 36.392 67.596 -35.353 1.00 0.00 C ATOM 114 CD1 LEU A 7 35.220 68.576 -35.275 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.865 66.161 -35.271 1.00 0.00 C ATOM 0 H LEU A 7 37.506 67.009 -39.511 1.00 0.00 H new ATOM 0 HA LEU A 7 35.375 66.825 -37.469 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.049 67.196 -36.677 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.436 68.834 -36.779 1.00 0.00 H new ATOM 0 HG LEU A 7 37.074 67.780 -34.522 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.690 68.435 -34.333 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.596 69.598 -35.330 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.538 68.395 -36.106 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.334 66.022 -34.329 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.185 65.975 -36.102 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.701 65.463 -35.323 1.00 0.00 H new ATOM 127 N TYR A 8 36.642 69.527 -38.929 1.00 0.00 N ATOM 128 CA TYR A 8 36.201 70.786 -39.602 1.00 0.00 C ATOM 129 C TYR A 8 36.869 70.943 -40.976 1.00 0.00 C ATOM 130 O TYR A 8 37.148 72.042 -41.410 1.00 0.00 O ATOM 131 CB TYR A 8 36.572 71.983 -38.724 1.00 0.00 C ATOM 132 CG TYR A 8 35.905 71.846 -37.376 1.00 0.00 C ATOM 133 CD1 TYR A 8 34.509 71.807 -37.287 1.00 0.00 C ATOM 134 CD2 TYR A 8 36.684 71.760 -36.215 1.00 0.00 C ATOM 135 CE1 TYR A 8 33.891 71.684 -36.037 1.00 0.00 C ATOM 136 CE2 TYR A 8 36.066 71.635 -34.965 1.00 0.00 C ATOM 137 CZ TYR A 8 34.669 71.597 -34.876 1.00 0.00 C ATOM 138 OH TYR A 8 34.059 71.476 -33.644 1.00 0.00 O ATOM 0 H TYR A 8 37.649 69.429 -38.800 1.00 0.00 H new ATOM 0 HA TYR A 8 35.122 70.740 -39.746 1.00 0.00 H new ATOM 0 HB2 TYR A 8 37.654 72.037 -38.602 1.00 0.00 H new ATOM 0 HB3 TYR A 8 36.259 72.910 -39.204 1.00 0.00 H new ATOM 0 HD1 TYR A 8 33.909 71.872 -38.182 1.00 0.00 H new ATOM 0 HD2 TYR A 8 37.761 71.790 -36.284 1.00 0.00 H new ATOM 0 HE1 TYR A 8 32.814 71.656 -35.968 1.00 0.00 H new ATOM 0 HE2 TYR A 8 36.666 71.568 -34.070 1.00 0.00 H new ATOM 0 HH TYR A 8 34.743 71.427 -32.944 1.00 0.00 H new ATOM 148 N ASP A 9 37.112 69.867 -41.673 1.00 0.00 N ATOM 149 CA ASP A 9 37.743 69.986 -43.021 1.00 0.00 C ATOM 150 C ASP A 9 39.159 70.555 -42.890 1.00 0.00 C ATOM 151 O ASP A 9 39.424 71.406 -42.064 1.00 0.00 O ATOM 152 CB ASP A 9 36.900 70.923 -43.889 1.00 0.00 C ATOM 153 CG ASP A 9 36.488 70.196 -45.170 1.00 0.00 C ATOM 154 OD1 ASP A 9 37.264 70.207 -46.110 1.00 0.00 O ATOM 155 OD2 ASP A 9 35.402 69.641 -45.188 1.00 0.00 O ATOM 0 H ASP A 9 36.903 68.915 -41.371 1.00 0.00 H new ATOM 0 HA ASP A 9 37.796 68.999 -43.481 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.015 71.247 -43.341 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.469 71.820 -44.134 1.00 0.00 H new ATOM 160 N TYR A 10 40.071 70.093 -43.703 1.00 0.00 N ATOM 161 CA TYR A 10 41.468 70.605 -43.634 1.00 0.00 C ATOM 162 C TYR A 10 42.186 70.303 -44.953 1.00 0.00 C ATOM 163 O TYR A 10 42.497 69.169 -45.252 1.00 0.00 O ATOM 164 CB TYR A 10 42.209 69.922 -42.483 1.00 0.00 C ATOM 165 CG TYR A 10 43.425 70.737 -42.117 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.276 72.059 -41.679 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.701 70.170 -42.213 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.405 72.813 -41.339 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.830 70.925 -41.873 1.00 0.00 C ATOM 170 CZ TYR A 10 45.681 72.247 -41.436 1.00 0.00 C ATOM 171 OH TYR A 10 46.794 72.991 -41.099 1.00 0.00 O ATOM 0 H TYR A 10 39.907 69.380 -44.414 1.00 0.00 H new ATOM 0 HA TYR A 10 41.451 71.682 -43.465 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.551 69.823 -41.620 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.507 68.915 -42.774 1.00 0.00 H new ATOM 0 HD1 TYR A 10 42.291 72.496 -41.604 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.815 69.150 -42.549 1.00 0.00 H new ATOM 0 HE1 TYR A 10 44.291 73.833 -41.001 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.815 70.488 -41.948 1.00 0.00 H new ATOM 0 HH TYR A 10 47.600 72.448 -41.222 1.00 0.00 H new ATOM 181 N MET A 11 42.453 71.307 -45.742 1.00 0.00 N ATOM 182 CA MET A 11 43.148 71.069 -47.035 1.00 0.00 C ATOM 183 C MET A 11 44.652 70.917 -46.782 1.00 0.00 C ATOM 184 O MET A 11 45.147 71.316 -45.747 1.00 0.00 O ATOM 185 CB MET A 11 42.903 72.253 -47.974 1.00 0.00 C ATOM 186 CG MET A 11 43.052 73.562 -47.197 1.00 0.00 C ATOM 187 SD MET A 11 43.804 74.813 -48.266 1.00 0.00 S ATOM 188 CE MET A 11 45.432 74.838 -47.477 1.00 0.00 C ATOM 0 H MET A 11 42.220 72.280 -45.546 1.00 0.00 H new ATOM 0 HA MET A 11 42.762 70.159 -47.494 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.612 72.227 -48.802 1.00 0.00 H new ATOM 0 HB3 MET A 11 41.905 72.187 -48.407 1.00 0.00 H new ATOM 0 HG2 MET A 11 42.077 73.904 -46.848 1.00 0.00 H new ATOM 0 HG3 MET A 11 43.670 73.405 -46.313 1.00 0.00 H new ATOM 0 HE1 MET A 11 46.073 75.557 -47.987 1.00 0.00 H new ATOM 0 HE2 MET A 11 45.325 75.125 -46.431 1.00 0.00 H new ATOM 0 HE3 MET A 11 45.881 73.846 -47.537 1.00 0.00 H new ATOM 198 N PRO A 12 45.333 70.341 -47.740 1.00 0.00 N ATOM 199 CA PRO A 12 46.787 70.118 -47.653 1.00 0.00 C ATOM 200 C PRO A 12 47.542 71.424 -47.918 1.00 0.00 C ATOM 201 O PRO A 12 47.451 72.000 -48.984 1.00 0.00 O ATOM 202 CB PRO A 12 47.059 69.089 -48.755 1.00 0.00 C ATOM 203 CG PRO A 12 45.886 69.201 -49.756 1.00 0.00 C ATOM 204 CD PRO A 12 44.720 69.862 -48.996 1.00 0.00 C ATOM 0 HA PRO A 12 47.113 69.775 -46.671 1.00 0.00 H new ATOM 0 HB2 PRO A 12 48.010 69.290 -49.248 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.121 68.083 -48.340 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.172 69.798 -50.622 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.598 68.217 -50.127 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.287 70.684 -49.567 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.917 69.151 -48.802 1.00 0.00 H new ATOM 211 N MET A 13 48.282 71.896 -46.953 1.00 0.00 N ATOM 212 CA MET A 13 49.036 73.167 -47.149 1.00 0.00 C ATOM 213 C MET A 13 50.524 72.866 -47.339 1.00 0.00 C ATOM 214 O MET A 13 51.197 73.499 -48.128 1.00 0.00 O ATOM 215 CB MET A 13 48.852 74.062 -45.921 1.00 0.00 C ATOM 216 CG MET A 13 49.162 75.513 -46.295 1.00 0.00 C ATOM 217 SD MET A 13 49.023 76.559 -44.824 1.00 0.00 S ATOM 218 CE MET A 13 47.664 77.598 -45.413 1.00 0.00 C ATOM 0 H MET A 13 48.397 71.458 -46.039 1.00 0.00 H new ATOM 0 HA MET A 13 48.657 73.676 -48.035 1.00 0.00 H new ATOM 0 HB2 MET A 13 47.831 73.982 -45.549 1.00 0.00 H new ATOM 0 HB3 MET A 13 49.511 73.734 -45.117 1.00 0.00 H new ATOM 0 HG2 MET A 13 50.166 75.585 -46.712 1.00 0.00 H new ATOM 0 HG3 MET A 13 48.471 75.857 -47.065 1.00 0.00 H new ATOM 0 HE1 MET A 13 47.408 78.331 -44.648 1.00 0.00 H new ATOM 0 HE2 MET A 13 47.969 78.115 -46.323 1.00 0.00 H new ATOM 0 HE3 MET A 13 46.795 76.975 -45.624 1.00 0.00 H new ATOM 228 N ASN A 14 51.047 71.907 -46.624 1.00 0.00 N ATOM 229 CA ASN A 14 52.493 71.577 -46.771 1.00 0.00 C ATOM 230 C ASN A 14 52.761 70.171 -46.230 1.00 0.00 C ATOM 231 O ASN A 14 53.557 69.429 -46.769 1.00 0.00 O ATOM 232 CB ASN A 14 53.328 72.590 -45.985 1.00 0.00 C ATOM 233 CG ASN A 14 54.735 72.665 -46.582 1.00 0.00 C ATOM 234 OD1 ASN A 14 54.917 72.456 -47.765 1.00 0.00 O ATOM 235 ND2 ASN A 14 55.743 72.955 -45.807 1.00 0.00 N ATOM 0 H ASN A 14 50.537 71.340 -45.947 1.00 0.00 H new ATOM 0 HA ASN A 14 52.765 71.616 -47.826 1.00 0.00 H new ATOM 0 HB2 ASN A 14 52.855 73.571 -46.018 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.382 72.297 -44.936 1.00 0.00 H new ATOM 0 HD21 ASN A 14 56.685 73.007 -46.194 1.00 0.00 H new ATOM 0 HD22 ASN A 14 55.589 73.130 -44.814 1.00 0.00 H new ATOM 242 N ALA A 15 52.103 69.797 -45.166 1.00 0.00 N ATOM 243 CA ALA A 15 52.324 68.440 -44.592 1.00 0.00 C ATOM 244 C ALA A 15 51.722 67.383 -45.521 1.00 0.00 C ATOM 245 O ALA A 15 51.842 66.197 -45.284 1.00 0.00 O ATOM 246 CB ALA A 15 51.653 68.352 -43.220 1.00 0.00 C ATOM 0 H ALA A 15 51.422 70.373 -44.670 1.00 0.00 H new ATOM 0 HA ALA A 15 53.394 68.262 -44.488 1.00 0.00 H new ATOM 0 HB1 ALA A 15 51.814 67.359 -42.799 1.00 0.00 H new ATOM 0 HB2 ALA A 15 52.083 69.102 -42.556 1.00 0.00 H new ATOM 0 HB3 ALA A 15 50.583 68.532 -43.326 1.00 0.00 H new ATOM 252 N ASN A 16 51.072 67.801 -46.574 1.00 0.00 N ATOM 253 CA ASN A 16 50.461 66.814 -47.509 1.00 0.00 C ATOM 254 C ASN A 16 49.323 66.087 -46.794 1.00 0.00 C ATOM 255 O ASN A 16 49.077 64.919 -47.022 1.00 0.00 O ATOM 256 CB ASN A 16 51.521 65.802 -47.947 1.00 0.00 C ATOM 257 CG ASN A 16 51.699 65.872 -49.466 1.00 0.00 C ATOM 258 OD1 ASN A 16 52.468 66.671 -49.962 1.00 0.00 O ATOM 259 ND2 ASN A 16 51.015 65.064 -50.229 1.00 0.00 N ATOM 0 H ASN A 16 50.938 68.780 -46.826 1.00 0.00 H new ATOM 0 HA ASN A 16 50.072 67.330 -48.387 1.00 0.00 H new ATOM 0 HB2 ASN A 16 52.468 66.013 -47.449 1.00 0.00 H new ATOM 0 HB3 ASN A 16 51.223 64.796 -47.651 1.00 0.00 H new ATOM 0 HD21 ASN A 16 51.126 65.103 -51.242 1.00 0.00 H new ATOM 0 HD22 ASN A 16 50.369 64.393 -49.812 1.00 0.00 H new ATOM 266 N ASP A 17 48.625 66.770 -45.929 1.00 0.00 N ATOM 267 CA ASP A 17 47.505 66.115 -45.200 1.00 0.00 C ATOM 268 C ASP A 17 46.339 65.895 -46.167 1.00 0.00 C ATOM 269 O ASP A 17 46.265 66.527 -47.201 1.00 0.00 O ATOM 270 CB ASP A 17 47.051 67.016 -44.048 1.00 0.00 C ATOM 271 CG ASP A 17 48.214 67.232 -43.078 1.00 0.00 C ATOM 272 OD1 ASP A 17 48.633 66.266 -42.462 1.00 0.00 O ATOM 273 OD2 ASP A 17 48.667 68.360 -42.968 1.00 0.00 O ATOM 0 H ASP A 17 48.782 67.751 -45.697 1.00 0.00 H new ATOM 0 HA ASP A 17 47.836 65.157 -44.800 1.00 0.00 H new ATOM 0 HB2 ASP A 17 46.705 67.974 -44.436 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.209 66.561 -43.527 1.00 0.00 H new ATOM 278 N LEU A 18 45.428 65.003 -45.862 1.00 0.00 N ATOM 279 CA LEU A 18 44.301 64.778 -46.801 1.00 0.00 C ATOM 280 C LEU A 18 43.227 65.840 -46.598 1.00 0.00 C ATOM 281 O LEU A 18 42.928 66.237 -45.490 1.00 0.00 O ATOM 282 CB LEU A 18 43.729 63.392 -46.555 1.00 0.00 C ATOM 283 CG LEU A 18 44.854 62.389 -46.733 1.00 0.00 C ATOM 284 CD1 LEU A 18 44.575 61.140 -45.903 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.973 62.025 -48.215 1.00 0.00 C ATOM 0 H LEU A 18 45.420 64.433 -45.016 1.00 0.00 H new ATOM 0 HA LEU A 18 44.657 64.849 -47.829 1.00 0.00 H new ATOM 0 HB2 LEU A 18 43.311 63.324 -45.551 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.918 63.184 -47.252 1.00 0.00 H new ATOM 0 HG LEU A 18 45.792 62.828 -46.393 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.387 60.425 -46.037 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.500 61.412 -44.850 1.00 0.00 H new ATOM 0 HD13 LEU A 18 43.638 60.689 -46.228 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.780 61.305 -48.349 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.035 61.588 -48.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 45.189 62.923 -48.794 1.00 0.00 H new ATOM 297 N GLN A 19 42.645 66.298 -47.668 1.00 0.00 N ATOM 298 CA GLN A 19 41.582 67.334 -47.551 1.00 0.00 C ATOM 299 C GLN A 19 40.434 66.759 -46.728 1.00 0.00 C ATOM 300 O GLN A 19 39.615 66.011 -47.227 1.00 0.00 O ATOM 301 CB GLN A 19 41.081 67.715 -48.945 1.00 0.00 C ATOM 302 CG GLN A 19 39.872 68.644 -48.819 1.00 0.00 C ATOM 303 CD GLN A 19 39.198 68.792 -50.183 1.00 0.00 C ATOM 304 OE1 GLN A 19 38.001 68.984 -50.265 1.00 0.00 O ATOM 305 NE2 GLN A 19 39.920 68.710 -51.267 1.00 0.00 N ATOM 0 H GLN A 19 42.859 66.000 -48.620 1.00 0.00 H new ATOM 0 HA GLN A 19 41.978 68.225 -47.064 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.875 68.209 -49.506 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.807 66.819 -49.502 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.165 68.241 -48.094 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.187 69.620 -48.449 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.925 68.549 -51.199 1.00 0.00 H new ATOM 0 HE22 GLN A 19 39.479 68.807 -52.182 1.00 0.00 H new ATOM 314 N LEU A 20 40.374 67.080 -45.466 1.00 0.00 N ATOM 315 CA LEU A 20 39.287 66.525 -44.620 1.00 0.00 C ATOM 316 C LEU A 20 37.926 66.934 -45.177 1.00 0.00 C ATOM 317 O LEU A 20 37.807 67.881 -45.929 1.00 0.00 O ATOM 318 CB LEU A 20 39.427 67.029 -43.185 1.00 0.00 C ATOM 319 CG LEU A 20 40.773 66.591 -42.595 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.591 66.324 -41.106 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.277 65.309 -43.275 1.00 0.00 C ATOM 0 H LEU A 20 41.028 67.700 -44.988 1.00 0.00 H new ATOM 0 HA LEU A 20 39.363 65.438 -44.626 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.350 68.116 -43.165 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.611 66.641 -42.575 1.00 0.00 H new ATOM 0 HG LEU A 20 41.504 67.382 -42.759 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.541 66.011 -40.674 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.249 67.234 -40.612 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.852 65.536 -40.965 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.233 65.018 -42.840 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.552 64.509 -43.126 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.404 65.489 -44.342 1.00 0.00 H new ATOM 333 N ARG A 21 36.899 66.230 -44.802 1.00 0.00 N ATOM 334 CA ARG A 21 35.537 66.575 -45.296 1.00 0.00 C ATOM 335 C ARG A 21 34.548 66.439 -44.145 1.00 0.00 C ATOM 336 O ARG A 21 33.375 66.199 -44.339 1.00 0.00 O ATOM 337 CB ARG A 21 35.143 65.630 -46.434 1.00 0.00 C ATOM 338 CG ARG A 21 35.838 66.068 -47.724 1.00 0.00 C ATOM 339 CD ARG A 21 35.077 65.511 -48.928 1.00 0.00 C ATOM 340 NE ARG A 21 34.380 66.623 -49.633 1.00 0.00 N ATOM 341 CZ ARG A 21 34.778 66.995 -50.818 1.00 0.00 C ATOM 342 NH1 ARG A 21 34.774 66.142 -51.806 1.00 0.00 N ATOM 343 NH2 ARG A 21 35.182 68.221 -51.016 1.00 0.00 N ATOM 0 H ARG A 21 36.942 65.428 -44.173 1.00 0.00 H new ATOM 0 HA ARG A 21 35.528 67.598 -45.671 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.425 64.607 -46.186 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.062 65.638 -46.570 1.00 0.00 H new ATOM 0 HG2 ARG A 21 35.878 67.156 -47.777 1.00 0.00 H new ATOM 0 HG3 ARG A 21 36.868 65.711 -47.734 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.767 65.011 -49.608 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.354 64.764 -48.601 1.00 0.00 H new ATOM 0 HE ARG A 21 33.591 67.093 -49.189 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.460 65.184 -51.651 1.00 0.00 H new ATOM 0 HH12 ARG A 21 35.085 66.433 -52.733 1.00 0.00 H new ATOM 0 HH21 ARG A 21 35.186 68.888 -50.244 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.493 68.512 -51.943 1.00 0.00 H new ATOM 357 N LYS A 22 35.038 66.607 -42.949 1.00 0.00 N ATOM 358 CA LYS A 22 34.176 66.506 -41.734 1.00 0.00 C ATOM 359 C LYS A 22 33.087 65.451 -41.935 1.00 0.00 C ATOM 360 O LYS A 22 32.046 65.724 -42.499 1.00 0.00 O ATOM 361 CB LYS A 22 33.514 67.857 -41.462 1.00 0.00 C ATOM 362 CG LYS A 22 34.532 68.980 -41.657 1.00 0.00 C ATOM 363 CD LYS A 22 33.798 70.289 -41.946 1.00 0.00 C ATOM 364 CE LYS A 22 32.869 70.625 -40.778 1.00 0.00 C ATOM 365 NZ LYS A 22 31.499 70.898 -41.294 1.00 0.00 N ATOM 0 H LYS A 22 36.018 66.814 -42.757 1.00 0.00 H new ATOM 0 HA LYS A 22 34.801 66.218 -40.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.668 68.000 -42.134 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.121 67.882 -40.446 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.148 69.086 -40.764 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.203 68.738 -42.481 1.00 0.00 H new ATOM 0 HD2 LYS A 22 34.516 71.095 -42.096 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.223 70.199 -42.867 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.844 69.797 -40.070 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.246 71.494 -40.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.868 71.126 -40.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 31.530 71.702 -41.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.141 70.057 -41.790 1.00 0.00 H new ATOM 379 N GLY A 23 33.310 64.253 -41.478 1.00 0.00 N ATOM 380 CA GLY A 23 32.277 63.194 -41.650 1.00 0.00 C ATOM 381 C GLY A 23 32.969 61.882 -41.992 1.00 0.00 C ATOM 382 O GLY A 23 33.011 60.964 -41.197 1.00 0.00 O ATOM 0 H GLY A 23 34.159 63.960 -40.994 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.693 63.085 -40.736 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.581 63.471 -42.442 1.00 0.00 H new ATOM 386 N ASP A 24 33.534 61.791 -43.162 1.00 0.00 N ATOM 387 CA ASP A 24 34.244 60.541 -43.529 1.00 0.00 C ATOM 388 C ASP A 24 35.341 60.316 -42.496 1.00 0.00 C ATOM 389 O ASP A 24 36.010 61.241 -42.090 1.00 0.00 O ATOM 390 CB ASP A 24 34.866 60.685 -44.919 1.00 0.00 C ATOM 391 CG ASP A 24 33.782 60.519 -45.985 1.00 0.00 C ATOM 392 OD1 ASP A 24 33.116 59.498 -45.969 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.637 61.417 -46.798 1.00 0.00 O ATOM 0 H ASP A 24 33.534 62.522 -43.873 1.00 0.00 H new ATOM 0 HA ASP A 24 33.552 59.699 -43.547 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.340 61.662 -45.017 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.646 59.936 -45.059 1.00 0.00 H new ATOM 398 N GLU A 25 35.526 59.112 -42.049 1.00 0.00 N ATOM 399 CA GLU A 25 36.580 58.875 -41.028 1.00 0.00 C ATOM 400 C GLU A 25 37.912 58.606 -41.717 1.00 0.00 C ATOM 401 O GLU A 25 37.999 58.542 -42.928 1.00 0.00 O ATOM 402 CB GLU A 25 36.196 57.678 -40.157 1.00 0.00 C ATOM 403 CG GLU A 25 34.858 57.956 -39.470 1.00 0.00 C ATOM 404 CD GLU A 25 33.814 56.945 -39.950 1.00 0.00 C ATOM 405 OE1 GLU A 25 34.032 55.761 -39.755 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.815 57.373 -40.504 1.00 0.00 O ATOM 0 H GLU A 25 35.001 58.288 -42.341 1.00 0.00 H new ATOM 0 HA GLU A 25 36.675 59.759 -40.398 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.123 56.778 -40.768 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.969 57.495 -39.411 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.973 57.890 -38.388 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.527 58.970 -39.694 1.00 0.00 H new ATOM 413 N TYR A 26 38.955 58.465 -40.953 1.00 0.00 N ATOM 414 CA TYR A 26 40.287 58.222 -41.556 1.00 0.00 C ATOM 415 C TYR A 26 40.964 57.045 -40.847 1.00 0.00 C ATOM 416 O TYR A 26 41.208 57.077 -39.657 1.00 0.00 O ATOM 417 CB TYR A 26 41.130 59.490 -41.405 1.00 0.00 C ATOM 418 CG TYR A 26 40.410 60.645 -42.064 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.183 61.100 -41.556 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.962 61.251 -43.195 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.517 62.157 -42.190 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.294 62.309 -43.820 1.00 0.00 C ATOM 423 CZ TYR A 26 39.071 62.757 -43.318 1.00 0.00 C ATOM 424 OH TYR A 26 38.404 63.792 -43.938 1.00 0.00 O ATOM 0 H TYR A 26 38.941 58.508 -39.934 1.00 0.00 H new ATOM 0 HA TYR A 26 40.184 57.977 -42.613 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.299 59.705 -40.350 1.00 0.00 H new ATOM 0 HB3 TYR A 26 42.109 59.347 -41.862 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.754 60.637 -40.680 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.906 60.902 -43.587 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.572 62.507 -41.803 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.725 62.780 -44.691 1.00 0.00 H new ATOM 0 HH TYR A 26 38.345 63.613 -44.900 1.00 0.00 H new ATOM 434 N PHE A 27 41.268 56.006 -41.578 1.00 0.00 N ATOM 435 CA PHE A 27 41.929 54.819 -40.965 1.00 0.00 C ATOM 436 C PHE A 27 43.429 55.063 -40.929 1.00 0.00 C ATOM 437 O PHE A 27 44.026 55.463 -41.909 1.00 0.00 O ATOM 438 CB PHE A 27 41.633 53.571 -41.797 1.00 0.00 C ATOM 439 CG PHE A 27 42.195 52.357 -41.097 1.00 0.00 C ATOM 440 CD1 PHE A 27 42.040 52.215 -39.712 1.00 0.00 C ATOM 441 CD2 PHE A 27 42.872 51.376 -41.829 1.00 0.00 C ATOM 442 CE1 PHE A 27 42.562 51.091 -39.061 1.00 0.00 C ATOM 443 CE2 PHE A 27 43.394 50.251 -41.179 1.00 0.00 C ATOM 444 CZ PHE A 27 43.240 50.110 -39.795 1.00 0.00 C ATOM 0 H PHE A 27 41.086 55.929 -42.579 1.00 0.00 H new ATOM 0 HA PHE A 27 41.550 54.667 -39.955 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.558 53.459 -41.935 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.074 53.669 -42.789 1.00 0.00 H new ATOM 0 HD1 PHE A 27 41.518 52.973 -39.147 1.00 0.00 H new ATOM 0 HD2 PHE A 27 42.992 51.486 -42.897 1.00 0.00 H new ATOM 0 HE1 PHE A 27 42.442 50.981 -37.993 1.00 0.00 H new ATOM 0 HE2 PHE A 27 43.915 49.493 -41.745 1.00 0.00 H new ATOM 0 HZ PHE A 27 43.645 49.244 -39.293 1.00 0.00 H new ATOM 454 N ILE A 28 44.040 54.845 -39.804 1.00 0.00 N ATOM 455 CA ILE A 28 45.498 55.094 -39.699 1.00 0.00 C ATOM 456 C ILE A 28 46.297 53.945 -40.288 1.00 0.00 C ATOM 457 O ILE A 28 46.548 52.941 -39.651 1.00 0.00 O ATOM 458 CB ILE A 28 45.871 55.295 -38.239 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.866 56.251 -37.574 1.00 0.00 C ATOM 460 CG2 ILE A 28 47.277 55.886 -38.172 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.367 57.299 -38.583 1.00 0.00 C ATOM 0 H ILE A 28 43.593 54.505 -38.953 1.00 0.00 H new ATOM 0 HA ILE A 28 45.738 55.992 -40.268 1.00 0.00 H new ATOM 0 HB ILE A 28 45.847 54.341 -37.712 1.00 0.00 H new ATOM 0 HG12 ILE A 28 44.021 55.684 -37.182 1.00 0.00 H new ATOM 0 HG13 ILE A 28 45.336 56.749 -36.726 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.559 56.036 -37.130 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.982 55.202 -38.644 1.00 0.00 H new ATOM 0 HG23 ILE A 28 47.295 56.843 -38.694 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.657 57.966 -38.094 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.213 57.878 -38.954 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.877 56.797 -39.417 1.00 0.00 H new ATOM 473 N LEU A 29 46.714 54.113 -41.503 1.00 0.00 N ATOM 474 CA LEU A 29 47.522 53.084 -42.180 1.00 0.00 C ATOM 475 C LEU A 29 48.856 52.945 -41.450 1.00 0.00 C ATOM 476 O LEU A 29 49.609 52.020 -41.679 1.00 0.00 O ATOM 477 CB LEU A 29 47.770 53.556 -43.606 1.00 0.00 C ATOM 478 CG LEU A 29 46.520 53.318 -44.443 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.303 53.926 -43.742 1.00 0.00 C ATOM 480 CD2 LEU A 29 46.708 53.975 -45.809 1.00 0.00 C ATOM 0 H LEU A 29 46.522 54.942 -42.066 1.00 0.00 H new ATOM 0 HA LEU A 29 47.010 52.122 -42.181 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.028 54.615 -43.610 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.616 53.020 -44.036 1.00 0.00 H new ATOM 0 HG LEU A 29 46.358 52.247 -44.566 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.412 53.753 -44.345 1.00 0.00 H new ATOM 0 HD12 LEU A 29 45.176 53.461 -42.765 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.453 54.998 -43.616 1.00 0.00 H new ATOM 0 HD21 LEU A 29 45.818 53.811 -46.417 1.00 0.00 H new ATOM 0 HD22 LEU A 29 46.866 55.046 -45.679 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.574 53.538 -46.307 1.00 0.00 H new ATOM 492 N GLU A 30 49.157 53.870 -40.578 1.00 0.00 N ATOM 493 CA GLU A 30 50.453 53.796 -39.840 1.00 0.00 C ATOM 494 C GLU A 30 50.277 54.289 -38.401 1.00 0.00 C ATOM 495 O GLU A 30 50.302 53.512 -37.468 1.00 0.00 O ATOM 496 CB GLU A 30 51.491 54.669 -40.548 1.00 0.00 C ATOM 497 CG GLU A 30 52.550 53.778 -41.199 1.00 0.00 C ATOM 498 CD GLU A 30 52.490 53.940 -42.719 1.00 0.00 C ATOM 499 OE1 GLU A 30 51.427 53.726 -43.276 1.00 0.00 O ATOM 500 OE2 GLU A 30 53.509 54.278 -43.299 1.00 0.00 O ATOM 0 H GLU A 30 48.567 54.669 -40.345 1.00 0.00 H new ATOM 0 HA GLU A 30 50.788 52.759 -39.821 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.007 55.288 -41.304 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.960 55.346 -39.834 1.00 0.00 H new ATOM 0 HG2 GLU A 30 53.541 54.046 -40.833 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.381 52.736 -40.927 1.00 0.00 H new ATOM 507 N GLU A 31 50.114 55.577 -38.221 1.00 0.00 N ATOM 508 CA GLU A 31 49.947 56.142 -36.846 1.00 0.00 C ATOM 509 C GLU A 31 51.325 56.378 -36.224 1.00 0.00 C ATOM 510 O GLU A 31 52.298 55.745 -36.586 1.00 0.00 O ATOM 511 CB GLU A 31 49.149 55.172 -35.969 1.00 0.00 C ATOM 512 CG GLU A 31 48.393 55.956 -34.892 1.00 0.00 C ATOM 513 CD GLU A 31 47.891 54.992 -33.817 1.00 0.00 C ATOM 514 OE1 GLU A 31 48.713 54.482 -33.073 1.00 0.00 O ATOM 515 OE2 GLU A 31 46.690 54.778 -33.756 1.00 0.00 O ATOM 0 H GLU A 31 50.089 56.266 -38.973 1.00 0.00 H new ATOM 0 HA GLU A 31 49.406 57.086 -36.912 1.00 0.00 H new ATOM 0 HB2 GLU A 31 48.447 54.606 -36.581 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.820 54.450 -35.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 49.047 56.706 -34.446 1.00 0.00 H new ATOM 0 HG3 GLU A 31 47.554 56.490 -35.338 1.00 0.00 H new ATOM 522 N SER A 32 51.419 57.287 -35.292 1.00 0.00 N ATOM 523 CA SER A 32 52.735 57.569 -34.649 1.00 0.00 C ATOM 524 C SER A 32 52.528 58.497 -33.450 1.00 0.00 C ATOM 525 O SER A 32 51.431 58.646 -32.949 1.00 0.00 O ATOM 526 CB SER A 32 53.661 58.240 -35.663 1.00 0.00 C ATOM 527 OG SER A 32 53.500 59.651 -35.583 1.00 0.00 O ATOM 0 H SER A 32 50.640 57.848 -34.947 1.00 0.00 H new ATOM 0 HA SER A 32 53.184 56.635 -34.310 1.00 0.00 H new ATOM 0 HB2 SER A 32 54.697 57.968 -35.462 1.00 0.00 H new ATOM 0 HB3 SER A 32 53.430 57.892 -36.670 1.00 0.00 H new ATOM 0 HG SER A 32 52.558 59.881 -35.724 1.00 0.00 H new ATOM 533 N ASN A 33 53.575 59.124 -32.982 1.00 0.00 N ATOM 534 CA ASN A 33 53.436 60.042 -31.814 1.00 0.00 C ATOM 535 C ASN A 33 52.836 61.373 -32.276 1.00 0.00 C ATOM 536 O ASN A 33 51.853 61.840 -31.739 1.00 0.00 O ATOM 537 CB ASN A 33 54.813 60.290 -31.195 1.00 0.00 C ATOM 538 CG ASN A 33 55.372 58.975 -30.650 1.00 0.00 C ATOM 539 OD1 ASN A 33 54.626 58.080 -30.307 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.665 58.819 -30.555 1.00 0.00 N ATOM 0 H ASN A 33 54.520 59.040 -33.358 1.00 0.00 H new ATOM 0 HA ASN A 33 52.780 59.588 -31.072 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.490 60.703 -31.942 1.00 0.00 H new ATOM 0 HB3 ASN A 33 54.736 61.025 -30.393 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.048 57.946 -30.193 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.292 59.570 -30.843 1.00 0.00 H new ATOM 547 N LEU A 34 53.426 61.984 -33.269 1.00 0.00 N ATOM 548 CA LEU A 34 52.899 63.285 -33.776 1.00 0.00 C ATOM 549 C LEU A 34 51.368 63.234 -33.827 1.00 0.00 C ATOM 550 O LEU A 34 50.787 62.168 -33.800 1.00 0.00 O ATOM 551 CB LEU A 34 53.448 63.530 -35.184 1.00 0.00 C ATOM 552 CG LEU A 34 54.927 63.911 -35.098 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.633 63.506 -36.392 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.056 65.423 -34.899 1.00 0.00 C ATOM 0 H LEU A 34 54.254 61.636 -33.753 1.00 0.00 H new ATOM 0 HA LEU A 34 53.210 64.092 -33.112 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.327 62.634 -35.793 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.885 64.326 -35.672 1.00 0.00 H new ATOM 0 HG LEU A 34 55.386 63.394 -34.255 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.687 63.777 -36.332 1.00 0.00 H new ATOM 0 HD12 LEU A 34 55.543 62.429 -36.534 1.00 0.00 H new ATOM 0 HD13 LEU A 34 55.173 64.023 -37.234 1.00 0.00 H new ATOM 0 HD21 LEU A 34 56.110 65.693 -34.838 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.597 65.941 -35.741 1.00 0.00 H new ATOM 0 HD23 LEU A 34 54.553 65.713 -33.976 1.00 0.00 H new ATOM 566 N PRO A 35 50.759 64.392 -33.906 1.00 0.00 N ATOM 567 CA PRO A 35 49.292 64.509 -33.972 1.00 0.00 C ATOM 568 C PRO A 35 48.803 64.120 -35.368 1.00 0.00 C ATOM 569 O PRO A 35 47.799 63.451 -35.521 1.00 0.00 O ATOM 570 CB PRO A 35 49.033 65.988 -33.676 1.00 0.00 C ATOM 571 CG PRO A 35 50.346 66.735 -34.007 1.00 0.00 C ATOM 572 CD PRO A 35 51.473 65.686 -33.945 1.00 0.00 C ATOM 0 HA PRO A 35 48.768 63.855 -33.275 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.208 66.366 -34.280 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.756 66.133 -32.632 1.00 0.00 H new ATOM 0 HG2 PRO A 35 50.294 67.191 -34.996 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.525 67.540 -33.294 1.00 0.00 H new ATOM 0 HD2 PRO A 35 52.129 65.754 -34.813 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.098 65.824 -33.062 1.00 0.00 H new ATOM 579 N TRP A 36 49.519 64.513 -36.385 1.00 0.00 N ATOM 580 CA TRP A 36 49.109 64.143 -37.770 1.00 0.00 C ATOM 581 C TRP A 36 49.686 62.763 -38.078 1.00 0.00 C ATOM 582 O TRP A 36 50.801 62.457 -37.703 1.00 0.00 O ATOM 583 CB TRP A 36 49.655 65.161 -38.784 1.00 0.00 C ATOM 584 CG TRP A 36 50.058 66.424 -38.091 1.00 0.00 C ATOM 585 CD1 TRP A 36 49.205 67.376 -37.651 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.398 66.886 -37.750 1.00 0.00 C ATOM 587 NE1 TRP A 36 49.934 68.393 -37.061 1.00 0.00 N ATOM 588 CE2 TRP A 36 51.290 68.137 -37.098 1.00 0.00 C ATOM 589 CE3 TRP A 36 52.682 66.345 -37.943 1.00 0.00 C ATOM 590 CZ2 TRP A 36 52.418 68.828 -36.652 1.00 0.00 C ATOM 591 CZ3 TRP A 36 53.819 67.038 -37.495 1.00 0.00 C ATOM 592 CH2 TRP A 36 53.687 68.276 -36.851 1.00 0.00 C ATOM 0 H TRP A 36 50.369 65.073 -36.318 1.00 0.00 H new ATOM 0 HA TRP A 36 48.021 64.136 -37.843 1.00 0.00 H new ATOM 0 HB2 TRP A 36 50.512 64.738 -39.309 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.896 65.378 -39.536 1.00 0.00 H new ATOM 0 HD1 TRP A 36 48.129 67.347 -37.745 1.00 0.00 H new ATOM 0 HE1 TRP A 36 49.520 69.229 -36.649 1.00 0.00 H new ATOM 0 HE3 TRP A 36 52.794 65.392 -38.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 52.311 69.782 -36.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 54.801 66.614 -37.648 1.00 0.00 H new ATOM 0 HH2 TRP A 36 54.565 68.803 -36.509 1.00 0.00 H new ATOM 603 N TRP A 37 48.949 61.920 -38.742 1.00 0.00 N ATOM 604 CA TRP A 37 49.487 60.564 -39.040 1.00 0.00 C ATOM 605 C TRP A 37 49.360 60.278 -40.535 1.00 0.00 C ATOM 606 O TRP A 37 49.184 61.176 -41.329 1.00 0.00 O ATOM 607 CB TRP A 37 48.710 59.528 -38.224 1.00 0.00 C ATOM 608 CG TRP A 37 49.129 59.624 -36.789 1.00 0.00 C ATOM 609 CD1 TRP A 37 50.330 60.081 -36.362 1.00 0.00 C ATOM 610 CD2 TRP A 37 48.379 59.267 -35.591 1.00 0.00 C ATOM 611 NE1 TRP A 37 50.364 60.028 -34.981 1.00 0.00 N ATOM 612 CE2 TRP A 37 49.186 59.533 -34.459 1.00 0.00 C ATOM 613 CE3 TRP A 37 47.090 58.745 -35.379 1.00 0.00 C ATOM 614 CZ2 TRP A 37 48.731 59.289 -33.163 1.00 0.00 C ATOM 615 CZ3 TRP A 37 46.630 58.496 -34.074 1.00 0.00 C ATOM 616 CH2 TRP A 37 47.450 58.768 -32.970 1.00 0.00 C ATOM 0 H TRP A 37 48.008 62.107 -39.088 1.00 0.00 H new ATOM 0 HA TRP A 37 50.541 60.512 -38.768 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.638 59.703 -38.316 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.903 58.526 -38.606 1.00 0.00 H new ATOM 0 HD1 TRP A 37 51.131 60.430 -36.997 1.00 0.00 H new ATOM 0 HE1 TRP A 37 51.162 60.319 -34.417 1.00 0.00 H new ATOM 0 HE3 TRP A 37 46.450 58.534 -36.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 49.365 59.502 -32.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 45.640 58.093 -33.921 1.00 0.00 H new ATOM 0 HH2 TRP A 37 47.091 58.575 -31.970 1.00 0.00 H new ATOM 627 N ARG A 38 49.444 59.037 -40.924 1.00 0.00 N ATOM 628 CA ARG A 38 49.326 58.691 -42.366 1.00 0.00 C ATOM 629 C ARG A 38 48.105 57.801 -42.533 1.00 0.00 C ATOM 630 O ARG A 38 48.192 56.589 -42.496 1.00 0.00 O ATOM 631 CB ARG A 38 50.579 57.945 -42.824 1.00 0.00 C ATOM 632 CG ARG A 38 51.695 58.949 -43.109 1.00 0.00 C ATOM 633 CD ARG A 38 52.949 58.202 -43.565 1.00 0.00 C ATOM 634 NE ARG A 38 53.641 57.624 -42.378 1.00 0.00 N ATOM 635 CZ ARG A 38 54.678 56.848 -42.541 1.00 0.00 C ATOM 636 NH1 ARG A 38 55.441 56.991 -43.591 1.00 0.00 N ATOM 637 NH2 ARG A 38 54.951 55.930 -41.653 1.00 0.00 N ATOM 0 H ARG A 38 49.590 58.243 -40.300 1.00 0.00 H new ATOM 0 HA ARG A 38 49.223 59.594 -42.967 1.00 0.00 H new ATOM 0 HB2 ARG A 38 50.897 57.240 -42.055 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.362 57.363 -43.720 1.00 0.00 H new ATOM 0 HG2 ARG A 38 51.378 59.653 -43.879 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.911 59.532 -42.214 1.00 0.00 H new ATOM 0 HD2 ARG A 38 52.680 57.410 -44.264 1.00 0.00 H new ATOM 0 HD3 ARG A 38 53.618 58.881 -44.095 1.00 0.00 H new ATOM 0 HE ARG A 38 53.304 57.835 -41.439 1.00 0.00 H new ATOM 0 HH11 ARG A 38 55.227 57.709 -44.283 1.00 0.00 H new ATOM 0 HH12 ARG A 38 56.251 56.385 -43.719 1.00 0.00 H new ATOM 0 HH21 ARG A 38 54.354 55.820 -40.833 1.00 0.00 H new ATOM 0 HH22 ARG A 38 55.761 55.323 -41.779 1.00 0.00 H new ATOM 651 N ALA A 39 46.960 58.394 -42.677 1.00 0.00 N ATOM 652 CA ALA A 39 45.721 57.592 -42.800 1.00 0.00 C ATOM 653 C ALA A 39 45.046 57.851 -44.148 1.00 0.00 C ATOM 654 O ALA A 39 45.307 58.835 -44.810 1.00 0.00 O ATOM 655 CB ALA A 39 44.774 58.011 -41.675 1.00 0.00 C ATOM 0 H ALA A 39 46.829 59.405 -42.715 1.00 0.00 H new ATOM 0 HA ALA A 39 45.962 56.531 -42.733 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.851 57.434 -41.742 1.00 0.00 H new ATOM 0 HB2 ALA A 39 45.249 57.825 -40.712 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.546 59.073 -41.768 1.00 0.00 H new ATOM 661 N ARG A 40 44.161 56.976 -44.543 1.00 0.00 N ATOM 662 CA ARG A 40 43.443 57.165 -45.831 1.00 0.00 C ATOM 663 C ARG A 40 41.982 57.497 -45.525 1.00 0.00 C ATOM 664 O ARG A 40 41.229 56.661 -45.065 1.00 0.00 O ATOM 665 CB ARG A 40 43.517 55.877 -46.656 1.00 0.00 C ATOM 666 CG ARG A 40 42.678 56.032 -47.926 1.00 0.00 C ATOM 667 CD ARG A 40 42.539 54.675 -48.617 1.00 0.00 C ATOM 668 NE ARG A 40 41.535 53.847 -47.891 1.00 0.00 N ATOM 669 CZ ARG A 40 41.420 52.575 -48.162 1.00 0.00 C ATOM 670 NH1 ARG A 40 40.345 52.128 -48.753 1.00 0.00 N ATOM 671 NH2 ARG A 40 42.379 51.749 -47.840 1.00 0.00 N ATOM 0 H ARG A 40 43.905 56.135 -44.025 1.00 0.00 H new ATOM 0 HA ARG A 40 43.900 57.975 -46.400 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.553 55.659 -46.917 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.152 55.035 -46.068 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.693 56.428 -47.677 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.148 56.748 -48.600 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.231 54.813 -49.653 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.502 54.164 -48.636 1.00 0.00 H new ATOM 0 HE ARG A 40 40.938 54.274 -47.183 1.00 0.00 H new ATOM 0 HH11 ARG A 40 39.595 52.773 -49.003 1.00 0.00 H new ATOM 0 HH12 ARG A 40 40.255 51.134 -48.965 1.00 0.00 H new ATOM 0 HH21 ARG A 40 43.218 52.098 -47.377 1.00 0.00 H new ATOM 0 HH22 ARG A 40 42.289 50.755 -48.052 1.00 0.00 H new ATOM 685 N ASP A 41 41.580 58.715 -45.755 1.00 0.00 N ATOM 686 CA ASP A 41 40.173 59.105 -45.456 1.00 0.00 C ATOM 687 C ASP A 41 39.203 58.075 -46.031 1.00 0.00 C ATOM 688 O ASP A 41 39.595 57.111 -46.660 1.00 0.00 O ATOM 689 CB ASP A 41 39.876 60.470 -46.070 1.00 0.00 C ATOM 690 CG ASP A 41 39.821 60.346 -47.594 1.00 0.00 C ATOM 691 OD1 ASP A 41 40.612 59.591 -48.137 1.00 0.00 O ATOM 692 OD2 ASP A 41 38.989 61.006 -48.192 1.00 0.00 O ATOM 0 H ASP A 41 42.165 59.458 -46.137 1.00 0.00 H new ATOM 0 HA ASP A 41 40.047 59.151 -44.374 1.00 0.00 H new ATOM 0 HB2 ASP A 41 38.928 60.852 -45.692 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.646 61.185 -45.781 1.00 0.00 H new ATOM 697 N LYS A 42 37.935 58.281 -45.818 1.00 0.00 N ATOM 698 CA LYS A 42 36.921 57.324 -46.347 1.00 0.00 C ATOM 699 C LYS A 42 36.787 57.512 -47.857 1.00 0.00 C ATOM 700 O LYS A 42 36.211 56.695 -48.547 1.00 0.00 O ATOM 701 CB LYS A 42 35.571 57.587 -45.677 1.00 0.00 C ATOM 702 CG LYS A 42 34.649 56.387 -45.901 1.00 0.00 C ATOM 703 CD LYS A 42 34.371 55.698 -44.562 1.00 0.00 C ATOM 704 CE LYS A 42 33.343 54.585 -44.765 1.00 0.00 C ATOM 705 NZ LYS A 42 33.794 53.356 -44.052 1.00 0.00 N ATOM 0 H LYS A 42 37.554 59.072 -45.299 1.00 0.00 H new ATOM 0 HA LYS A 42 37.237 56.303 -46.134 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.710 57.758 -44.610 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.118 58.489 -46.088 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.713 56.714 -46.355 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.111 55.684 -46.594 1.00 0.00 H new ATOM 0 HD2 LYS A 42 35.294 55.285 -44.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.999 56.423 -43.838 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.370 54.901 -44.388 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.221 54.378 -45.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.095 52.598 -44.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 34.713 53.052 -44.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 33.889 53.559 -43.036 1.00 0.00 H new ATOM 719 N ASN A 43 37.318 58.584 -48.377 1.00 0.00 N ATOM 720 CA ASN A 43 37.225 58.823 -49.843 1.00 0.00 C ATOM 721 C ASN A 43 38.289 57.990 -50.561 1.00 0.00 C ATOM 722 O ASN A 43 38.416 58.036 -51.768 1.00 0.00 O ATOM 723 CB ASN A 43 37.455 60.308 -50.133 1.00 0.00 C ATOM 724 CG ASN A 43 36.677 60.711 -51.386 1.00 0.00 C ATOM 725 OD1 ASN A 43 35.430 60.347 -51.511 1.00 0.00 O flip ATOM 726 ND2 ASN A 43 37.210 61.365 -52.262 1.00 0.00 N flip ATOM 0 H ASN A 43 37.812 59.304 -47.850 1.00 0.00 H new ATOM 0 HA ASN A 43 36.236 58.534 -50.198 1.00 0.00 H new ATOM 0 HB2 ASN A 43 37.132 60.909 -49.283 1.00 0.00 H new ATOM 0 HB3 ASN A 43 38.518 60.501 -50.275 1.00 0.00 H new ATOM 0 HD21 ASN A 43 38.185 61.650 -52.165 1.00 0.00 H new ATOM 0 HD22 ASN A 43 36.682 61.629 -53.094 1.00 0.00 H new ATOM 733 N GLY A 44 39.053 57.225 -49.828 1.00 0.00 N ATOM 734 CA GLY A 44 40.102 56.388 -50.469 1.00 0.00 C ATOM 735 C GLY A 44 41.308 57.257 -50.823 1.00 0.00 C ATOM 736 O GLY A 44 41.933 57.075 -51.849 1.00 0.00 O ATOM 0 H GLY A 44 38.994 57.145 -48.813 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.404 55.587 -49.795 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.705 55.916 -51.368 1.00 0.00 H new ATOM 740 N GLN A 45 41.648 58.198 -49.984 1.00 0.00 N ATOM 741 CA GLN A 45 42.815 59.064 -50.279 1.00 0.00 C ATOM 742 C GLN A 45 43.840 58.901 -49.163 1.00 0.00 C ATOM 743 O GLN A 45 43.639 59.356 -48.055 1.00 0.00 O ATOM 744 CB GLN A 45 42.367 60.524 -50.352 1.00 0.00 C ATOM 745 CG GLN A 45 43.316 61.304 -51.263 1.00 0.00 C ATOM 746 CD GLN A 45 42.514 62.302 -52.101 1.00 0.00 C ATOM 747 OE1 GLN A 45 42.816 63.479 -52.118 1.00 0.00 O ATOM 748 NE2 GLN A 45 41.500 61.879 -52.804 1.00 0.00 N ATOM 0 H GLN A 45 41.166 58.401 -49.109 1.00 0.00 H new ATOM 0 HA GLN A 45 43.256 58.779 -51.234 1.00 0.00 H new ATOM 0 HB2 GLN A 45 41.348 60.584 -50.734 1.00 0.00 H new ATOM 0 HB3 GLN A 45 42.360 60.964 -49.355 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.060 61.830 -50.665 1.00 0.00 H new ATOM 0 HG3 GLN A 45 43.857 60.618 -51.915 1.00 0.00 H new ATOM 0 HE21 GLN A 45 41.246 60.891 -52.790 1.00 0.00 H new ATOM 0 HE22 GLN A 45 40.961 62.536 -53.368 1.00 0.00 H new ATOM 757 N GLU A 46 44.934 58.251 -49.437 1.00 0.00 N ATOM 758 CA GLU A 46 45.959 58.067 -48.378 1.00 0.00 C ATOM 759 C GLU A 46 46.774 59.347 -48.258 1.00 0.00 C ATOM 760 O GLU A 46 47.328 59.838 -49.221 1.00 0.00 O ATOM 761 CB GLU A 46 46.880 56.904 -48.742 1.00 0.00 C ATOM 762 CG GLU A 46 46.056 55.777 -49.368 1.00 0.00 C ATOM 763 CD GLU A 46 46.940 54.544 -49.562 1.00 0.00 C ATOM 764 OE1 GLU A 46 47.444 54.039 -48.572 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.099 54.126 -50.696 1.00 0.00 O ATOM 0 H GLU A 46 45.161 57.842 -50.343 1.00 0.00 H new ATOM 0 HA GLU A 46 45.471 57.846 -47.429 1.00 0.00 H new ATOM 0 HB2 GLU A 46 47.647 57.239 -49.440 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.395 56.542 -47.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.209 55.533 -48.727 1.00 0.00 H new ATOM 0 HG3 GLU A 46 45.648 56.099 -50.326 1.00 0.00 H new ATOM 772 N GLY A 47 46.844 59.897 -47.083 1.00 0.00 N ATOM 773 CA GLY A 47 47.614 61.152 -46.899 1.00 0.00 C ATOM 774 C GLY A 47 47.857 61.388 -45.411 1.00 0.00 C ATOM 775 O GLY A 47 47.834 60.469 -44.616 1.00 0.00 O ATOM 0 H GLY A 47 46.400 59.531 -46.241 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.565 61.088 -47.428 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.067 61.992 -47.327 1.00 0.00 H new ATOM 779 N TYR A 48 48.085 62.612 -45.024 1.00 0.00 N ATOM 780 CA TYR A 48 48.323 62.896 -43.585 1.00 0.00 C ATOM 781 C TYR A 48 47.080 63.551 -42.984 1.00 0.00 C ATOM 782 O TYR A 48 46.464 64.403 -43.584 1.00 0.00 O ATOM 783 CB TYR A 48 49.523 63.834 -43.435 1.00 0.00 C ATOM 784 CG TYR A 48 50.801 63.035 -43.504 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.145 62.366 -44.684 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.642 62.964 -42.387 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.332 61.626 -44.747 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.829 62.224 -42.451 1.00 0.00 C ATOM 789 CZ TYR A 48 53.173 61.555 -43.631 1.00 0.00 C ATOM 790 OH TYR A 48 54.343 60.825 -43.695 1.00 0.00 O ATOM 0 H TYR A 48 48.116 63.424 -45.641 1.00 0.00 H new ATOM 0 HA TYR A 48 48.531 61.963 -43.061 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.510 64.587 -44.223 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.465 64.366 -42.485 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.496 62.420 -45.545 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.375 63.480 -41.476 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.599 61.110 -45.657 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.479 62.170 -41.590 1.00 0.00 H new ATOM 0 HH TYR A 48 54.553 60.626 -44.631 1.00 0.00 H new ATOM 800 N ILE A 49 46.696 63.167 -41.807 1.00 0.00 N ATOM 801 CA ILE A 49 45.488 63.791 -41.209 1.00 0.00 C ATOM 802 C ILE A 49 45.826 64.265 -39.787 1.00 0.00 C ATOM 803 O ILE A 49 46.391 63.520 -39.010 1.00 0.00 O ATOM 804 CB ILE A 49 44.326 62.789 -41.164 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.843 61.355 -41.316 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.332 63.089 -42.287 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.356 61.145 -42.742 1.00 0.00 C ATOM 0 H ILE A 49 47.157 62.458 -41.237 1.00 0.00 H new ATOM 0 HA ILE A 49 45.182 64.639 -41.822 1.00 0.00 H new ATOM 0 HB ILE A 49 43.829 62.887 -40.199 1.00 0.00 H new ATOM 0 HG12 ILE A 49 45.643 61.168 -40.599 1.00 0.00 H new ATOM 0 HG13 ILE A 49 44.046 60.645 -41.097 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.511 62.373 -42.247 1.00 0.00 H new ATOM 0 HG22 ILE A 49 42.939 64.098 -42.165 1.00 0.00 H new ATOM 0 HG23 ILE A 49 43.836 63.010 -43.250 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.724 60.125 -42.850 1.00 0.00 H new ATOM 0 HD12 ILE A 49 44.544 61.315 -43.449 1.00 0.00 H new ATOM 0 HD13 ILE A 49 46.166 61.846 -42.944 1.00 0.00 H new ATOM 819 N PRO A 50 45.485 65.497 -39.491 1.00 0.00 N ATOM 820 CA PRO A 50 45.761 66.103 -38.172 1.00 0.00 C ATOM 821 C PRO A 50 44.758 65.621 -37.118 1.00 0.00 C ATOM 822 O PRO A 50 43.575 65.528 -37.371 1.00 0.00 O ATOM 823 CB PRO A 50 45.598 67.604 -38.427 1.00 0.00 C ATOM 824 CG PRO A 50 44.703 67.739 -39.682 1.00 0.00 C ATOM 825 CD PRO A 50 44.794 66.398 -40.435 1.00 0.00 C ATOM 0 HA PRO A 50 46.745 65.837 -37.786 1.00 0.00 H new ATOM 0 HB2 PRO A 50 45.140 68.096 -37.569 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.566 68.078 -38.588 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.672 67.956 -39.401 1.00 0.00 H new ATOM 0 HG3 PRO A 50 45.042 68.561 -40.313 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.805 66.020 -40.695 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.351 66.501 -41.366 1.00 0.00 H new ATOM 832 N SER A 51 45.227 65.320 -35.936 1.00 0.00 N ATOM 833 CA SER A 51 44.314 64.848 -34.858 1.00 0.00 C ATOM 834 C SER A 51 43.544 66.034 -34.263 1.00 0.00 C ATOM 835 O SER A 51 42.422 65.896 -33.817 1.00 0.00 O ATOM 836 CB SER A 51 45.142 64.196 -33.755 1.00 0.00 C ATOM 837 OG SER A 51 45.271 62.806 -34.021 1.00 0.00 O ATOM 0 H SER A 51 46.210 65.382 -35.671 1.00 0.00 H new ATOM 0 HA SER A 51 43.607 64.132 -35.277 1.00 0.00 H new ATOM 0 HB2 SER A 51 46.127 64.660 -33.702 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.664 64.350 -32.787 1.00 0.00 H new ATOM 0 HG SER A 51 45.772 62.379 -33.295 1.00 0.00 H new ATOM 843 N ASN A 52 44.147 67.192 -34.231 1.00 0.00 N ATOM 844 CA ASN A 52 43.461 68.381 -33.641 1.00 0.00 C ATOM 845 C ASN A 52 42.291 68.822 -34.526 1.00 0.00 C ATOM 846 O ASN A 52 41.426 69.561 -34.098 1.00 0.00 O ATOM 847 CB ASN A 52 44.462 69.532 -33.514 1.00 0.00 C ATOM 848 CG ASN A 52 45.028 69.873 -34.895 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.307 69.892 -35.873 1.00 0.00 O ATOM 850 ND2 ASN A 52 46.299 70.147 -35.015 1.00 0.00 N ATOM 0 H ASN A 52 45.086 67.367 -34.588 1.00 0.00 H new ATOM 0 HA ASN A 52 43.075 68.111 -32.658 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.974 70.406 -33.084 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.270 69.252 -32.837 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.687 70.377 -35.930 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.904 70.131 -34.194 1.00 0.00 H new ATOM 857 N TYR A 53 42.251 68.384 -35.753 1.00 0.00 N ATOM 858 CA TYR A 53 41.127 68.793 -36.652 1.00 0.00 C ATOM 859 C TYR A 53 40.293 67.561 -37.003 1.00 0.00 C ATOM 860 O TYR A 53 39.615 67.518 -38.009 1.00 0.00 O ATOM 861 CB TYR A 53 41.691 69.414 -37.931 1.00 0.00 C ATOM 862 CG TYR A 53 41.766 70.913 -37.770 1.00 0.00 C ATOM 863 CD1 TYR A 53 42.152 71.468 -36.544 1.00 0.00 C ATOM 864 CD2 TYR A 53 41.447 71.750 -38.847 1.00 0.00 C ATOM 865 CE1 TYR A 53 42.220 72.857 -36.395 1.00 0.00 C ATOM 866 CE2 TYR A 53 41.514 73.140 -38.697 1.00 0.00 C ATOM 867 CZ TYR A 53 41.901 73.694 -37.470 1.00 0.00 C ATOM 868 OH TYR A 53 41.968 75.065 -37.322 1.00 0.00 O ATOM 0 H TYR A 53 42.942 67.764 -36.174 1.00 0.00 H new ATOM 0 HA TYR A 53 40.501 69.527 -36.145 1.00 0.00 H new ATOM 0 HB2 TYR A 53 42.682 69.010 -38.139 1.00 0.00 H new ATOM 0 HB3 TYR A 53 41.058 69.160 -38.781 1.00 0.00 H new ATOM 0 HD1 TYR A 53 42.397 70.823 -35.713 1.00 0.00 H new ATOM 0 HD2 TYR A 53 41.149 71.323 -39.793 1.00 0.00 H new ATOM 0 HE1 TYR A 53 42.519 73.284 -35.449 1.00 0.00 H new ATOM 0 HE2 TYR A 53 41.267 73.785 -39.527 1.00 0.00 H new ATOM 0 HH TYR A 53 41.716 75.498 -38.164 1.00 0.00 H new ATOM 878 N VAL A 54 40.358 66.565 -36.171 1.00 0.00 N ATOM 879 CA VAL A 54 39.607 65.297 -36.401 1.00 0.00 C ATOM 880 C VAL A 54 39.406 64.642 -35.047 1.00 0.00 C ATOM 881 O VAL A 54 39.372 65.308 -34.030 1.00 0.00 O ATOM 882 CB VAL A 54 40.458 64.393 -37.287 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.914 65.180 -38.511 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.671 63.938 -36.489 1.00 0.00 C ATOM 0 H VAL A 54 40.915 66.574 -35.317 1.00 0.00 H new ATOM 0 HA VAL A 54 38.646 65.477 -36.883 1.00 0.00 H new ATOM 0 HB VAL A 54 39.882 63.526 -37.611 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.523 64.540 -39.149 1.00 0.00 H new ATOM 0 HG12 VAL A 54 40.042 65.524 -39.068 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.503 66.040 -38.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 42.291 63.290 -37.108 1.00 0.00 H new ATOM 0 HG22 VAL A 54 42.250 64.808 -36.180 1.00 0.00 H new ATOM 0 HG23 VAL A 54 41.341 63.390 -35.607 1.00 0.00 H new ATOM 894 N THR A 55 39.301 63.354 -35.004 1.00 0.00 N ATOM 895 CA THR A 55 39.135 62.709 -33.685 1.00 0.00 C ATOM 896 C THR A 55 39.224 61.183 -33.805 1.00 0.00 C ATOM 897 O THR A 55 40.106 60.677 -34.458 1.00 0.00 O ATOM 898 CB THR A 55 37.825 63.182 -33.064 1.00 0.00 C ATOM 899 OG1 THR A 55 37.733 62.716 -31.726 1.00 0.00 O ATOM 900 CG2 THR A 55 36.631 62.684 -33.866 1.00 0.00 C ATOM 0 H THR A 55 39.322 62.728 -35.809 1.00 0.00 H new ATOM 0 HA THR A 55 39.947 63.002 -33.020 1.00 0.00 H new ATOM 0 HB THR A 55 37.814 64.272 -33.073 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.891 63.023 -31.330 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.709 63.035 -33.402 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.693 63.066 -34.885 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.635 61.594 -33.886 1.00 0.00 H new ATOM 908 N GLU A 56 38.363 60.445 -33.155 1.00 0.00 N ATOM 909 CA GLU A 56 38.478 58.954 -33.201 1.00 0.00 C ATOM 910 C GLU A 56 39.957 58.578 -33.031 1.00 0.00 C ATOM 911 O GLU A 56 40.568 58.914 -32.034 1.00 0.00 O ATOM 912 CB GLU A 56 37.919 58.389 -34.506 1.00 0.00 C ATOM 913 CG GLU A 56 36.485 58.876 -34.710 1.00 0.00 C ATOM 914 CD GLU A 56 35.507 57.848 -34.136 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.550 56.709 -34.574 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.732 58.216 -33.267 1.00 0.00 O ATOM 0 H GLU A 56 37.589 60.806 -32.597 1.00 0.00 H new ATOM 0 HA GLU A 56 37.888 58.521 -32.393 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.542 58.702 -35.344 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.942 57.300 -34.481 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.344 59.840 -34.220 1.00 0.00 H new ATOM 0 HG3 GLU A 56 36.289 59.026 -35.772 1.00 0.00 H new ATOM 923 N ALA A 57 40.550 57.898 -33.973 1.00 0.00 N ATOM 924 CA ALA A 57 41.989 57.529 -33.831 1.00 0.00 C ATOM 925 C ALA A 57 42.879 58.782 -33.932 1.00 0.00 C ATOM 926 O ALA A 57 43.830 58.812 -34.687 1.00 0.00 O ATOM 927 CB ALA A 57 42.363 56.555 -34.949 1.00 0.00 C ATOM 0 H ALA A 57 40.103 57.582 -34.833 1.00 0.00 H new ATOM 0 HA ALA A 57 42.144 57.066 -32.857 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.413 56.279 -34.855 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.744 55.661 -34.874 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.198 57.030 -35.916 1.00 0.00 H new ATOM 933 N GLU A 58 42.592 59.809 -33.174 1.00 0.00 N ATOM 934 CA GLU A 58 43.431 61.045 -33.234 1.00 0.00 C ATOM 935 C GLU A 58 44.539 60.957 -32.183 1.00 0.00 C ATOM 936 O GLU A 58 44.999 62.000 -31.749 1.00 0.00 O ATOM 937 CB GLU A 58 42.555 62.267 -32.949 1.00 0.00 C ATOM 938 CG GLU A 58 42.144 62.268 -31.475 1.00 0.00 C ATOM 939 CD GLU A 58 42.714 63.509 -30.785 1.00 0.00 C ATOM 940 OE1 GLU A 58 42.445 64.601 -31.258 1.00 0.00 O ATOM 941 OE2 GLU A 58 43.410 63.346 -29.797 1.00 0.00 O ATOM 942 OXT GLU A 58 44.909 59.850 -31.830 1.00 0.00 O ATOM 0 H GLU A 58 41.813 59.846 -32.516 1.00 0.00 H new ATOM 0 HA GLU A 58 43.875 61.138 -34.225 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.099 63.181 -33.186 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.670 62.249 -33.584 1.00 0.00 H new ATOM 0 HG2 GLU A 58 41.057 62.259 -31.390 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.510 61.366 -30.984 1.00 0.00 H new TER 949 GLU A 58