USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 455 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0124 (180deg=-0.266) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 6 CYS SG : rot 140:sc= -10.4! USER MOD Single : A 8 THR OG1 : rot 159:sc= 1.29 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 1:sc= 0.333 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.3) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0.46 (180deg=0.443) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.188 8.803 11.065 1.00 0.00 N ATOM 2 CA MET A 1 -5.049 9.188 10.200 1.00 0.00 C ATOM 3 C MET A 1 -3.781 9.321 11.067 1.00 0.00 C ATOM 4 O MET A 1 -3.383 10.426 11.460 1.00 0.00 O ATOM 5 CB MET A 1 -5.367 10.504 9.427 1.00 0.00 C ATOM 6 CG MET A 1 -6.649 10.453 8.596 1.00 0.00 C ATOM 7 SD MET A 1 -7.015 12.012 7.756 1.00 0.00 S ATOM 8 CE MET A 1 -8.576 11.621 6.957 1.00 0.00 C ATOM 0 H1 MET A 1 -6.981 8.482 10.473 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.897 8.033 11.700 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.488 9.623 11.630 1.00 0.00 H new ATOM 0 HA MET A 1 -4.876 8.416 9.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.445 11.322 10.143 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.530 10.736 8.768 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.562 9.659 7.854 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.485 10.192 9.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.927 12.489 6.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.435 10.784 6.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.314 11.353 7.713 1.00 0.00 H new ATOM 20 N SER A 2 -3.194 8.160 11.415 1.00 0.00 N ATOM 21 CA SER A 2 -1.981 8.072 12.245 1.00 0.00 C ATOM 22 C SER A 2 -0.742 8.397 11.398 1.00 0.00 C ATOM 23 O SER A 2 0.025 9.320 11.708 1.00 0.00 O ATOM 24 CB SER A 2 -1.894 6.655 12.855 1.00 0.00 C ATOM 25 OG SER A 2 -2.075 5.666 11.852 1.00 0.00 O ATOM 0 H SER A 2 -3.553 7.250 11.125 1.00 0.00 H new ATOM 0 HA SER A 2 -2.025 8.799 13.056 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.925 6.519 13.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.653 6.539 13.629 1.00 0.00 H new ATOM 0 HG SER A 2 -2.015 4.775 12.256 1.00 0.00 H new ATOM 31 N GLY A 3 -0.573 7.619 10.320 1.00 0.00 N ATOM 32 CA GLY A 3 0.448 7.870 9.309 1.00 0.00 C ATOM 33 C GLY A 3 -0.180 8.314 8.001 1.00 0.00 C ATOM 34 O GLY A 3 -1.363 8.699 7.973 1.00 0.00 O ATOM 0 H GLY A 3 -1.146 6.797 10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.136 8.637 9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.034 6.966 9.147 1.00 0.00 H new ATOM 38 N ALA A 4 0.597 8.248 6.909 1.00 0.00 N ATOM 39 CA ALA A 4 0.093 8.511 5.554 1.00 0.00 C ATOM 40 C ALA A 4 -0.778 7.332 5.079 1.00 0.00 C ATOM 41 O ALA A 4 -0.748 6.250 5.676 1.00 0.00 O ATOM 42 CB ALA A 4 1.262 8.776 4.587 1.00 0.00 C ATOM 0 H ALA A 4 1.589 8.012 6.941 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.529 9.406 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.871 8.969 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.828 9.643 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.916 7.904 4.559 1.00 0.00 H new ATOM 48 N ARG A 5 -1.558 7.552 4.013 1.00 0.00 N ATOM 49 CA ARG A 5 -2.416 6.516 3.405 1.00 0.00 C ATOM 50 C ARG A 5 -2.408 6.661 1.881 1.00 0.00 C ATOM 51 O ARG A 5 -2.249 7.769 1.350 1.00 0.00 O ATOM 52 CB ARG A 5 -3.875 6.604 3.939 1.00 0.00 C ATOM 53 CG ARG A 5 -4.575 7.962 3.692 1.00 0.00 C ATOM 54 CD ARG A 5 -6.078 7.927 4.011 1.00 0.00 C ATOM 55 NE ARG A 5 -6.714 9.241 3.792 1.00 0.00 N ATOM 56 CZ ARG A 5 -7.883 9.451 3.168 1.00 0.00 C ATOM 57 NH1 ARG A 5 -8.607 8.440 2.693 1.00 0.00 N ATOM 58 NH2 ARG A 5 -8.332 10.684 3.027 1.00 0.00 N ATOM 0 H ARG A 5 -1.615 8.456 3.543 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.015 5.541 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.466 5.816 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.868 6.404 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.097 8.728 4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.436 8.252 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.565 7.178 3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.223 7.621 5.047 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.222 10.061 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.276 7.481 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.493 8.624 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.791 11.468 3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.220 10.852 2.554 1.00 0.00 H new ATOM 72 N CYS A 6 -2.570 5.527 1.192 1.00 0.00 N ATOM 73 CA CYS A 6 -2.652 5.472 -0.266 1.00 0.00 C ATOM 74 C CYS A 6 -3.624 4.373 -0.680 1.00 0.00 C ATOM 75 O CYS A 6 -3.701 3.321 -0.031 1.00 0.00 O ATOM 76 CB CYS A 6 -1.260 5.222 -0.870 1.00 0.00 C ATOM 77 SG CYS A 6 -0.013 6.404 -0.328 1.00 0.00 S ATOM 0 H CYS A 6 -2.648 4.613 1.638 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.018 6.427 -0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.934 4.216 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.333 5.257 -1.957 1.00 0.00 H new ATOM 0 HG CYS A 6 1.110 5.784 -0.118 1.00 0.00 H new ATOM 83 N ARG A 7 -4.346 4.617 -1.778 1.00 0.00 N ATOM 84 CA ARG A 7 -5.378 3.707 -2.284 1.00 0.00 C ATOM 85 C ARG A 7 -4.850 3.009 -3.545 1.00 0.00 C ATOM 86 O ARG A 7 -4.246 3.644 -4.416 1.00 0.00 O ATOM 87 CB ARG A 7 -6.692 4.507 -2.540 1.00 0.00 C ATOM 88 CG ARG A 7 -7.962 3.683 -2.916 1.00 0.00 C ATOM 89 CD ARG A 7 -8.054 3.331 -4.418 1.00 0.00 C ATOM 90 NE ARG A 7 -7.924 4.526 -5.264 1.00 0.00 N ATOM 91 CZ ARG A 7 -7.645 4.530 -6.577 1.00 0.00 C ATOM 92 NH1 ARG A 7 -7.504 3.401 -7.257 1.00 0.00 N ATOM 93 NH2 ARG A 7 -7.506 5.681 -7.207 1.00 0.00 N ATOM 0 H ARG A 7 -4.230 5.457 -2.344 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.612 2.933 -1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.917 5.085 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.503 5.222 -3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.971 2.761 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.849 4.249 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.271 2.617 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.008 2.844 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.057 5.432 -4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.608 2.504 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.292 3.429 -8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.611 6.558 -6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.294 5.694 -8.205 1.00 0.00 H new ATOM 107 N THR A 8 -5.103 1.700 -3.612 1.00 0.00 N ATOM 108 CA THR A 8 -4.603 0.806 -4.656 1.00 0.00 C ATOM 109 C THR A 8 -5.366 0.985 -5.977 1.00 0.00 C ATOM 110 O THR A 8 -6.602 0.929 -5.996 1.00 0.00 O ATOM 111 CB THR A 8 -4.726 -0.664 -4.160 1.00 0.00 C ATOM 112 OG1 THR A 8 -6.088 -0.930 -3.793 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.829 -0.921 -2.941 1.00 0.00 C ATOM 0 H THR A 8 -5.679 1.220 -2.920 1.00 0.00 H new ATOM 0 HA THR A 8 -3.560 1.052 -4.852 1.00 0.00 H new ATOM 0 HB THR A 8 -4.409 -1.320 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.249 -1.897 -3.811 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.939 -1.957 -2.620 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.789 -0.732 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.121 -0.256 -2.128 1.00 0.00 H new ATOM 121 N LEU A 9 -4.614 1.205 -7.065 1.00 0.00 N ATOM 122 CA LEU A 9 -5.168 1.341 -8.417 1.00 0.00 C ATOM 123 C LEU A 9 -5.749 0.000 -8.895 1.00 0.00 C ATOM 124 O LEU A 9 -6.934 -0.090 -9.235 1.00 0.00 O ATOM 125 CB LEU A 9 -4.062 1.839 -9.378 1.00 0.00 C ATOM 126 CG LEU A 9 -3.516 3.268 -9.090 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.296 3.599 -9.975 1.00 0.00 C ATOM 128 CD2 LEU A 9 -4.640 4.316 -9.241 1.00 0.00 C ATOM 0 H LEU A 9 -3.598 1.294 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.978 2.070 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.229 1.137 -9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.452 1.817 -10.396 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.169 3.298 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.942 4.604 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.500 2.881 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.583 3.546 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.241 5.309 -9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.032 4.285 -10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.441 4.094 -8.536 1.00 0.00 H new ATOM 140 N TYR A 10 -4.903 -1.040 -8.890 1.00 0.00 N ATOM 141 CA TYR A 10 -5.266 -2.380 -9.397 1.00 0.00 C ATOM 142 C TYR A 10 -4.921 -3.460 -8.348 1.00 0.00 C ATOM 143 O TYR A 10 -4.041 -3.235 -7.504 1.00 0.00 O ATOM 144 CB TYR A 10 -4.531 -2.642 -10.744 1.00 0.00 C ATOM 145 CG TYR A 10 -4.963 -1.686 -11.863 1.00 0.00 C ATOM 146 CD1 TYR A 10 -6.237 -1.782 -12.431 1.00 0.00 C ATOM 147 CD2 TYR A 10 -4.118 -0.672 -12.327 1.00 0.00 C ATOM 148 CE1 TYR A 10 -6.645 -0.912 -13.422 1.00 0.00 C ATOM 149 CE2 TYR A 10 -4.525 0.204 -13.316 1.00 0.00 C ATOM 150 CZ TYR A 10 -5.788 0.080 -13.860 1.00 0.00 C ATOM 151 OH TYR A 10 -6.204 0.964 -14.847 1.00 0.00 O ATOM 0 H TYR A 10 -3.948 -0.981 -8.536 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.340 -2.425 -9.576 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.456 -2.547 -10.589 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.718 -3.668 -11.059 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.914 -2.551 -12.088 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.129 -0.572 -11.905 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.631 -1.006 -13.854 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.859 0.981 -13.661 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.484 1.601 -15.040 1.00 0.00 H new ATOM 161 N PRO A 11 -5.626 -4.647 -8.364 1.00 0.00 N ATOM 162 CA PRO A 11 -5.346 -5.763 -7.428 1.00 0.00 C ATOM 163 C PRO A 11 -3.962 -6.385 -7.672 1.00 0.00 C ATOM 164 O PRO A 11 -3.550 -6.563 -8.825 1.00 0.00 O ATOM 165 CB PRO A 11 -6.479 -6.795 -7.717 1.00 0.00 C ATOM 166 CG PRO A 11 -7.511 -6.031 -8.489 1.00 0.00 C ATOM 167 CD PRO A 11 -6.751 -4.990 -9.274 1.00 0.00 C ATOM 0 HA PRO A 11 -5.330 -5.429 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.104 -7.642 -8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.894 -7.195 -6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.070 -6.690 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.234 -5.565 -7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.395 -5.382 -10.227 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.370 -4.121 -9.498 1.00 0.00 H new ATOM 175 N PHE A 12 -3.252 -6.694 -6.582 1.00 0.00 N ATOM 176 CA PHE A 12 -1.985 -7.430 -6.631 1.00 0.00 C ATOM 177 C PHE A 12 -2.207 -8.815 -6.010 1.00 0.00 C ATOM 178 O PHE A 12 -2.289 -8.957 -4.795 1.00 0.00 O ATOM 179 CB PHE A 12 -0.874 -6.640 -5.876 1.00 0.00 C ATOM 180 CG PHE A 12 0.545 -7.177 -6.046 1.00 0.00 C ATOM 181 CD1 PHE A 12 1.344 -6.755 -7.108 1.00 0.00 C ATOM 182 CD2 PHE A 12 1.088 -8.093 -5.145 1.00 0.00 C ATOM 183 CE1 PHE A 12 2.632 -7.233 -7.265 1.00 0.00 C ATOM 184 CE2 PHE A 12 2.374 -8.572 -5.300 1.00 0.00 C ATOM 185 CZ PHE A 12 3.147 -8.142 -6.361 1.00 0.00 C ATOM 0 H PHE A 12 -3.541 -6.440 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.654 -7.549 -7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.895 -5.604 -6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.116 -6.633 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.951 -6.044 -7.819 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.492 -8.434 -4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.236 -6.896 -8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.775 -9.282 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.153 -8.516 -6.484 1.00 0.00 H new ATOM 195 N SER A 13 -2.356 -9.818 -6.865 1.00 0.00 N ATOM 196 CA SER A 13 -2.362 -11.230 -6.477 1.00 0.00 C ATOM 197 C SER A 13 -1.546 -11.992 -7.520 1.00 0.00 C ATOM 198 O SER A 13 -2.083 -12.679 -8.397 1.00 0.00 O ATOM 199 CB SER A 13 -3.805 -11.781 -6.334 1.00 0.00 C ATOM 200 OG SER A 13 -4.491 -11.171 -5.255 1.00 0.00 O ATOM 0 H SER A 13 -2.479 -9.675 -7.867 1.00 0.00 H new ATOM 0 HA SER A 13 -1.911 -11.357 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.354 -11.608 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.770 -12.860 -6.181 1.00 0.00 H new ATOM 0 HG SER A 13 -3.909 -10.506 -4.831 1.00 0.00 H new ATOM 206 N GLY A 14 -0.230 -11.743 -7.474 1.00 0.00 N ATOM 207 CA GLY A 14 0.731 -12.411 -8.335 1.00 0.00 C ATOM 208 C GLY A 14 1.538 -13.435 -7.557 1.00 0.00 C ATOM 209 O GLY A 14 1.726 -14.567 -8.019 1.00 0.00 O ATOM 0 H GLY A 14 0.190 -11.069 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.209 -12.902 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.401 -11.675 -8.778 1.00 0.00 H new ATOM 213 N GLU A 15 2.022 -13.002 -6.364 1.00 0.00 N ATOM 214 CA GLU A 15 2.789 -13.849 -5.413 1.00 0.00 C ATOM 215 C GLU A 15 4.049 -14.459 -6.078 1.00 0.00 C ATOM 216 O GLU A 15 4.487 -15.552 -5.709 1.00 0.00 O ATOM 217 CB GLU A 15 1.865 -14.951 -4.802 1.00 0.00 C ATOM 218 CG GLU A 15 0.628 -14.406 -4.055 1.00 0.00 C ATOM 219 CD GLU A 15 -0.232 -15.512 -3.420 1.00 0.00 C ATOM 220 OE1 GLU A 15 -1.070 -16.116 -4.126 1.00 0.00 O ATOM 221 OE2 GLU A 15 -0.077 -15.794 -2.213 1.00 0.00 O ATOM 0 H GLU A 15 1.890 -12.047 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 15 3.142 -13.214 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.529 -15.611 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.452 -15.559 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.956 -13.717 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.015 -13.832 -4.750 1.00 0.00 H new ATOM 228 N ARG A 16 4.635 -13.712 -7.040 1.00 0.00 N ATOM 229 CA ARG A 16 5.816 -14.154 -7.821 1.00 0.00 C ATOM 230 C ARG A 16 7.039 -14.352 -6.893 1.00 0.00 C ATOM 231 O ARG A 16 7.858 -15.255 -7.089 1.00 0.00 O ATOM 232 CB ARG A 16 6.140 -13.106 -8.926 1.00 0.00 C ATOM 233 CG ARG A 16 7.091 -13.600 -10.042 1.00 0.00 C ATOM 234 CD ARG A 16 6.428 -14.635 -10.968 1.00 0.00 C ATOM 235 NE ARG A 16 7.361 -15.143 -11.989 1.00 0.00 N ATOM 236 CZ ARG A 16 7.012 -15.802 -13.097 1.00 0.00 C ATOM 237 NH1 ARG A 16 5.739 -16.040 -13.388 1.00 0.00 N ATOM 238 NH2 ARG A 16 7.946 -16.222 -13.928 1.00 0.00 N ATOM 0 H ARG A 16 4.303 -12.783 -7.299 1.00 0.00 H new ATOM 0 HA ARG A 16 5.587 -15.110 -8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.205 -12.783 -9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.583 -12.229 -8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.424 -12.748 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.980 -14.040 -9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.055 -15.468 -10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.566 -14.183 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 16 8.356 -14.978 -11.837 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.003 -15.717 -12.759 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.497 -16.545 -14.240 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.929 -16.043 -13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.685 -16.726 -14.776 1.00 0.00 H new ATOM 252 N HIS A 17 7.130 -13.464 -5.882 1.00 0.00 N ATOM 253 CA HIS A 17 8.176 -13.481 -4.844 1.00 0.00 C ATOM 254 C HIS A 17 7.517 -13.549 -3.458 1.00 0.00 C ATOM 255 O HIS A 17 6.365 -13.121 -3.289 1.00 0.00 O ATOM 256 CB HIS A 17 9.074 -12.218 -4.953 1.00 0.00 C ATOM 257 CG HIS A 17 9.855 -12.139 -6.246 1.00 0.00 C ATOM 258 ND1 HIS A 17 11.121 -12.665 -6.347 1.00 0.00 N ATOM 259 CD2 HIS A 17 9.510 -11.595 -7.444 1.00 0.00 C ATOM 260 CE1 HIS A 17 11.515 -12.433 -7.583 1.00 0.00 C ATOM 261 NE2 HIS A 17 10.572 -11.789 -8.285 1.00 0.00 N ATOM 0 H HIS A 17 6.464 -12.700 -5.764 1.00 0.00 H new ATOM 0 HA HIS A 17 8.807 -14.358 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.449 -11.329 -4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.772 -12.205 -4.116 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.578 -11.105 -7.685 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.476 -12.725 -7.980 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.634 -11.499 -9.261 1.00 0.00 H new ATOM 269 N GLY A 18 8.254 -14.122 -2.492 1.00 0.00 N ATOM 270 CA GLY A 18 7.826 -14.179 -1.097 1.00 0.00 C ATOM 271 C GLY A 18 7.770 -12.794 -0.452 1.00 0.00 C ATOM 272 O GLY A 18 6.857 -12.497 0.325 1.00 0.00 O ATOM 0 H GLY A 18 9.161 -14.556 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.842 -14.644 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.512 -14.812 -0.534 1.00 0.00 H new ATOM 276 N GLN A 19 8.766 -11.948 -0.780 1.00 0.00 N ATOM 277 CA GLN A 19 8.827 -10.559 -0.292 1.00 0.00 C ATOM 278 C GLN A 19 7.926 -9.676 -1.179 1.00 0.00 C ATOM 279 O GLN A 19 8.364 -9.172 -2.216 1.00 0.00 O ATOM 280 CB GLN A 19 10.300 -10.019 -0.259 1.00 0.00 C ATOM 281 CG GLN A 19 11.254 -10.729 0.732 1.00 0.00 C ATOM 282 CD GLN A 19 11.664 -12.147 0.314 1.00 0.00 C ATOM 283 OE1 GLN A 19 12.647 -12.333 -0.402 1.00 0.00 O ATOM 284 NE2 GLN A 19 10.903 -13.149 0.738 1.00 0.00 N ATOM 0 H GLN A 19 9.545 -12.207 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 19 8.464 -10.529 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.720 -10.102 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.273 -8.958 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.153 -10.124 0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.773 -10.776 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.095 -12.960 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.127 -14.108 0.471 1.00 0.00 H new ATOM 293 N GLY A 20 6.642 -9.567 -0.792 1.00 0.00 N ATOM 294 CA GLY A 20 5.677 -8.753 -1.520 1.00 0.00 C ATOM 295 C GLY A 20 4.314 -8.774 -0.848 1.00 0.00 C ATOM 296 O GLY A 20 3.850 -9.835 -0.417 1.00 0.00 O ATOM 0 H GLY A 20 6.256 -10.039 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.038 -7.726 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.586 -9.121 -2.542 1.00 0.00 H new ATOM 300 N LEU A 21 3.682 -7.592 -0.746 1.00 0.00 N ATOM 301 CA LEU A 21 2.356 -7.429 -0.127 1.00 0.00 C ATOM 302 C LEU A 21 1.265 -7.571 -1.197 1.00 0.00 C ATOM 303 O LEU A 21 1.230 -6.805 -2.162 1.00 0.00 O ATOM 304 CB LEU A 21 2.236 -6.041 0.571 1.00 0.00 C ATOM 305 CG LEU A 21 0.839 -5.696 1.187 1.00 0.00 C ATOM 306 CD1 LEU A 21 0.427 -6.726 2.261 1.00 0.00 C ATOM 307 CD2 LEU A 21 0.810 -4.248 1.736 1.00 0.00 C ATOM 0 H LEU A 21 4.079 -6.719 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 21 2.229 -8.204 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.982 -5.991 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.490 -5.269 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 21 0.100 -5.754 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.548 -6.457 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.371 -7.718 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.166 -6.732 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.173 -4.038 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.568 -4.138 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.015 -3.548 0.926 1.00 0.00 H new ATOM 319 N ARG A 22 0.385 -8.562 -1.021 1.00 0.00 N ATOM 320 CA ARG A 22 -0.756 -8.770 -1.919 1.00 0.00 C ATOM 321 C ARG A 22 -1.993 -8.022 -1.382 1.00 0.00 C ATOM 322 O ARG A 22 -2.170 -7.891 -0.161 1.00 0.00 O ATOM 323 CB ARG A 22 -1.050 -10.283 -2.103 1.00 0.00 C ATOM 324 CG ARG A 22 -1.531 -11.024 -0.835 1.00 0.00 C ATOM 325 CD ARG A 22 -1.891 -12.488 -1.123 1.00 0.00 C ATOM 326 NE ARG A 22 -2.925 -12.604 -2.170 1.00 0.00 N ATOM 327 CZ ARG A 22 -3.458 -13.749 -2.604 1.00 0.00 C ATOM 328 NH1 ARG A 22 -3.072 -14.911 -2.096 1.00 0.00 N ATOM 329 NH2 ARG A 22 -4.380 -13.721 -3.553 1.00 0.00 N ATOM 0 H ARG A 22 0.442 -9.237 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.507 -8.365 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.807 -10.397 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.145 -10.770 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.750 -10.986 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.401 -10.511 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.997 -13.027 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.246 -12.962 -0.208 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.259 -11.740 -2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.361 -14.937 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.486 -15.779 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.679 -12.829 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.792 -14.591 -3.890 1.00 0.00 H new ATOM 343 N PHE A 23 -2.831 -7.529 -2.307 1.00 0.00 N ATOM 344 CA PHE A 23 -4.032 -6.742 -1.994 1.00 0.00 C ATOM 345 C PHE A 23 -5.030 -6.775 -3.171 1.00 0.00 C ATOM 346 O PHE A 23 -4.744 -7.341 -4.231 1.00 0.00 O ATOM 347 CB PHE A 23 -3.641 -5.274 -1.615 1.00 0.00 C ATOM 348 CG PHE A 23 -2.645 -4.589 -2.569 1.00 0.00 C ATOM 349 CD1 PHE A 23 -3.025 -4.181 -3.853 1.00 0.00 C ATOM 350 CD2 PHE A 23 -1.321 -4.349 -2.178 1.00 0.00 C ATOM 351 CE1 PHE A 23 -2.126 -3.551 -4.701 1.00 0.00 C ATOM 352 CE2 PHE A 23 -0.423 -3.717 -3.028 1.00 0.00 C ATOM 353 CZ PHE A 23 -0.825 -3.321 -4.287 1.00 0.00 C ATOM 0 H PHE A 23 -2.691 -7.668 -3.308 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.526 -7.190 -1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.550 -4.673 -1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.214 -5.277 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.036 -4.360 -4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.993 -4.661 -1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.441 -3.239 -5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.591 -3.535 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.126 -2.832 -4.949 1.00 0.00 H new ATOM 363 N ALA A 24 -6.208 -6.182 -2.946 1.00 0.00 N ATOM 364 CA ALA A 24 -7.222 -5.929 -3.989 1.00 0.00 C ATOM 365 C ALA A 24 -7.208 -4.429 -4.344 1.00 0.00 C ATOM 366 O ALA A 24 -6.561 -3.641 -3.645 1.00 0.00 O ATOM 367 CB ALA A 24 -8.618 -6.371 -3.504 1.00 0.00 C ATOM 0 H ALA A 24 -6.493 -5.858 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.986 -6.510 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.353 -6.177 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.603 -7.437 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.886 -5.812 -2.607 1.00 0.00 H new ATOM 373 N ALA A 25 -7.888 -4.044 -5.446 1.00 0.00 N ATOM 374 CA ALA A 25 -8.089 -2.619 -5.803 1.00 0.00 C ATOM 375 C ALA A 25 -9.079 -1.967 -4.817 1.00 0.00 C ATOM 376 O ALA A 25 -9.991 -2.631 -4.309 1.00 0.00 O ATOM 377 CB ALA A 25 -8.598 -2.475 -7.251 1.00 0.00 C ATOM 0 H ALA A 25 -8.308 -4.699 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.128 -2.108 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.736 -1.419 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.869 -2.906 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.549 -2.997 -7.356 1.00 0.00 H new ATOM 383 N GLY A 26 -8.865 -0.674 -4.536 1.00 0.00 N ATOM 384 CA GLY A 26 -9.724 0.097 -3.629 1.00 0.00 C ATOM 385 C GLY A 26 -9.267 0.071 -2.175 1.00 0.00 C ATOM 386 O GLY A 26 -9.791 0.829 -1.349 1.00 0.00 O ATOM 0 H GLY A 26 -8.094 -0.135 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.760 1.132 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.740 -0.293 -3.687 1.00 0.00 H new ATOM 390 N GLU A 27 -8.290 -0.791 -1.867 1.00 0.00 N ATOM 391 CA GLU A 27 -7.757 -0.954 -0.503 1.00 0.00 C ATOM 392 C GLU A 27 -6.820 0.207 -0.135 1.00 0.00 C ATOM 393 O GLU A 27 -5.975 0.620 -0.940 1.00 0.00 O ATOM 394 CB GLU A 27 -7.003 -2.306 -0.390 1.00 0.00 C ATOM 395 CG GLU A 27 -7.867 -3.550 -0.682 1.00 0.00 C ATOM 396 CD GLU A 27 -9.027 -3.747 0.312 1.00 0.00 C ATOM 397 OE1 GLU A 27 -8.802 -4.347 1.390 1.00 0.00 O ATOM 398 OE2 GLU A 27 -10.168 -3.320 0.022 1.00 0.00 O ATOM 0 H GLU A 27 -7.844 -1.397 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.593 -0.948 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.160 -2.295 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.591 -2.394 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.274 -3.470 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.231 -4.435 -0.664 1.00 0.00 H new ATOM 405 N LEU A 28 -6.989 0.740 1.084 1.00 0.00 N ATOM 406 CA LEU A 28 -6.111 1.782 1.640 1.00 0.00 C ATOM 407 C LEU A 28 -5.078 1.121 2.571 1.00 0.00 C ATOM 408 O LEU A 28 -5.451 0.518 3.584 1.00 0.00 O ATOM 409 CB LEU A 28 -6.917 2.866 2.427 1.00 0.00 C ATOM 410 CG LEU A 28 -7.831 3.825 1.592 1.00 0.00 C ATOM 411 CD1 LEU A 28 -9.039 3.104 0.955 1.00 0.00 C ATOM 412 CD2 LEU A 28 -8.289 5.019 2.456 1.00 0.00 C ATOM 0 H LEU A 28 -7.740 0.460 1.714 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.611 2.285 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.543 2.356 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.207 3.477 2.984 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.228 4.197 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.634 3.821 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.684 2.320 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.653 2.661 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.923 5.676 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.851 4.652 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.417 5.573 2.803 1.00 0.00 H new ATOM 424 N ILE A 29 -3.785 1.186 2.192 1.00 0.00 N ATOM 425 CA ILE A 29 -2.669 0.711 3.037 1.00 0.00 C ATOM 426 C ILE A 29 -2.001 1.942 3.677 1.00 0.00 C ATOM 427 O ILE A 29 -1.623 2.889 2.969 1.00 0.00 O ATOM 428 CB ILE A 29 -1.584 -0.143 2.244 1.00 0.00 C ATOM 429 CG1 ILE A 29 -2.181 -1.466 1.642 1.00 0.00 C ATOM 430 CG2 ILE A 29 -0.382 -0.491 3.167 1.00 0.00 C ATOM 431 CD1 ILE A 29 -3.146 -1.305 0.489 1.00 0.00 C ATOM 0 H ILE A 29 -3.485 1.568 1.295 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.083 0.039 3.789 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.246 0.477 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.354 -2.094 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.690 -2.005 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.349 -1.075 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.083 0.429 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.734 -1.072 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.488 -2.287 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.002 -0.711 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.645 -0.801 -0.337 1.00 0.00 H new ATOM 443 N THR A 30 -1.901 1.928 5.014 1.00 0.00 N ATOM 444 CA THR A 30 -1.247 2.988 5.796 1.00 0.00 C ATOM 445 C THR A 30 0.286 2.865 5.696 1.00 0.00 C ATOM 446 O THR A 30 0.853 1.783 5.922 1.00 0.00 O ATOM 447 CB THR A 30 -1.700 2.917 7.296 1.00 0.00 C ATOM 448 OG1 THR A 30 -3.128 3.045 7.368 1.00 0.00 O ATOM 449 CG2 THR A 30 -1.048 4.006 8.177 1.00 0.00 C ATOM 0 H THR A 30 -2.275 1.173 5.589 1.00 0.00 H new ATOM 0 HA THR A 30 -1.545 3.953 5.386 1.00 0.00 H new ATOM 0 HB THR A 30 -1.373 1.952 7.682 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.414 2.999 8.304 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.401 3.904 9.203 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.036 3.892 8.154 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.318 4.991 7.797 1.00 0.00 H new ATOM 457 N LEU A 31 0.934 3.974 5.311 1.00 0.00 N ATOM 458 CA LEU A 31 2.393 4.084 5.277 1.00 0.00 C ATOM 459 C LEU A 31 2.937 4.261 6.701 1.00 0.00 C ATOM 460 O LEU A 31 2.337 4.959 7.529 1.00 0.00 O ATOM 461 CB LEU A 31 2.864 5.268 4.378 1.00 0.00 C ATOM 462 CG LEU A 31 2.545 5.158 2.850 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.039 5.298 2.570 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.361 6.183 2.029 1.00 0.00 C ATOM 0 H LEU A 31 0.454 4.823 5.013 1.00 0.00 H new ATOM 0 HA LEU A 31 2.785 3.163 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.410 6.184 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.942 5.376 4.494 1.00 0.00 H new ATOM 0 HG LEU A 31 2.845 4.160 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.859 5.216 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.497 4.508 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.692 6.269 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.116 6.080 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.117 7.192 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.426 6.000 2.174 1.00 0.00 H new ATOM 476 N LEU A 32 4.069 3.606 6.982 1.00 0.00 N ATOM 477 CA LEU A 32 4.752 3.715 8.275 1.00 0.00 C ATOM 478 C LEU A 32 5.627 4.975 8.290 1.00 0.00 C ATOM 479 O LEU A 32 5.583 5.760 9.247 1.00 0.00 O ATOM 480 CB LEU A 32 5.591 2.442 8.542 1.00 0.00 C ATOM 481 CG LEU A 32 4.780 1.106 8.621 1.00 0.00 C ATOM 482 CD1 LEU A 32 5.698 -0.095 8.929 1.00 0.00 C ATOM 483 CD2 LEU A 32 3.620 1.211 9.637 1.00 0.00 C ATOM 0 H LEU A 32 4.537 2.986 6.320 1.00 0.00 H new ATOM 0 HA LEU A 32 4.014 3.801 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.337 2.348 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.132 2.574 9.479 1.00 0.00 H new ATOM 0 HG LEU A 32 4.339 0.932 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.102 -1.006 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.446 -0.192 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.196 0.063 9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.077 0.267 9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.022 1.431 10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.943 2.010 9.335 1.00 0.00 H new ATOM 495 N GLN A 33 6.407 5.164 7.207 1.00 0.00 N ATOM 496 CA GLN A 33 7.267 6.353 6.999 1.00 0.00 C ATOM 497 C GLN A 33 7.335 6.677 5.495 1.00 0.00 C ATOM 498 O GLN A 33 7.102 5.795 4.652 1.00 0.00 O ATOM 499 CB GLN A 33 8.708 6.118 7.561 1.00 0.00 C ATOM 500 CG GLN A 33 8.790 5.941 9.093 1.00 0.00 C ATOM 501 CD GLN A 33 10.197 5.685 9.631 1.00 0.00 C ATOM 502 OE1 GLN A 33 11.192 6.150 9.074 1.00 0.00 O ATOM 503 NE2 GLN A 33 10.283 4.952 10.734 1.00 0.00 N ATOM 0 H GLN A 33 6.460 4.491 6.443 1.00 0.00 H new ATOM 0 HA GLN A 33 6.831 7.193 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.127 5.232 7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.336 6.961 7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.390 6.836 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.147 5.110 9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.437 4.583 11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.195 4.758 11.147 1.00 0.00 H new ATOM 512 N VAL A 34 7.645 7.952 5.162 1.00 0.00 N ATOM 513 CA VAL A 34 7.859 8.408 3.774 1.00 0.00 C ATOM 514 C VAL A 34 9.347 8.836 3.577 1.00 0.00 C ATOM 515 O VAL A 34 9.701 9.997 3.800 1.00 0.00 O ATOM 516 CB VAL A 34 6.844 9.565 3.352 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.404 9.015 3.201 1.00 0.00 C ATOM 518 CG2 VAL A 34 6.855 10.762 4.339 1.00 0.00 C ATOM 0 H VAL A 34 7.753 8.694 5.854 1.00 0.00 H new ATOM 0 HA VAL A 34 7.650 7.571 3.108 1.00 0.00 H new ATOM 0 HB VAL A 34 7.189 9.936 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.734 9.825 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.389 8.241 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.075 8.592 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.146 11.518 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.572 10.416 5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.855 11.194 4.376 1.00 0.00 H new ATOM 528 N PRO A 35 10.269 7.879 3.217 1.00 0.00 N ATOM 529 CA PRO A 35 11.694 8.201 2.962 1.00 0.00 C ATOM 530 C PRO A 35 11.879 8.941 1.611 1.00 0.00 C ATOM 531 O PRO A 35 12.153 8.324 0.575 1.00 0.00 O ATOM 532 CB PRO A 35 12.382 6.807 2.987 1.00 0.00 C ATOM 533 CG PRO A 35 11.315 5.863 2.526 1.00 0.00 C ATOM 534 CD PRO A 35 10.007 6.424 3.051 1.00 0.00 C ATOM 0 HA PRO A 35 12.122 8.885 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.250 6.779 2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.733 6.554 3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.300 5.791 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.491 4.858 2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.189 6.245 2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.727 5.960 3.997 1.00 0.00 H new ATOM 542 N ASP A 36 11.658 10.277 1.651 1.00 0.00 N ATOM 543 CA ASP A 36 11.714 11.188 0.480 1.00 0.00 C ATOM 544 C ASP A 36 10.704 10.772 -0.611 1.00 0.00 C ATOM 545 O ASP A 36 9.554 11.229 -0.611 1.00 0.00 O ATOM 546 CB ASP A 36 13.160 11.323 -0.093 1.00 0.00 C ATOM 547 CG ASP A 36 14.145 11.954 0.899 1.00 0.00 C ATOM 548 OD1 ASP A 36 14.094 13.187 1.096 1.00 0.00 O ATOM 549 OD2 ASP A 36 14.968 11.231 1.499 1.00 0.00 O ATOM 0 H ASP A 36 11.430 10.763 2.518 1.00 0.00 H new ATOM 0 HA ASP A 36 11.423 12.177 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.524 10.336 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.130 11.927 -1.000 1.00 0.00 H new ATOM 554 N GLY A 37 11.129 9.859 -1.502 1.00 0.00 N ATOM 555 CA GLY A 37 10.311 9.431 -2.634 1.00 0.00 C ATOM 556 C GLY A 37 10.849 8.181 -3.303 1.00 0.00 C ATOM 557 O GLY A 37 11.751 7.520 -2.764 1.00 0.00 O ATOM 0 H GLY A 37 12.041 9.405 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.293 9.246 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.260 10.237 -3.366 1.00 0.00 H new ATOM 561 N GLY A 38 10.296 7.853 -4.482 1.00 0.00 N ATOM 562 CA GLY A 38 10.702 6.658 -5.232 1.00 0.00 C ATOM 563 C GLY A 38 10.056 5.403 -4.667 1.00 0.00 C ATOM 564 O GLY A 38 9.154 4.821 -5.280 1.00 0.00 O ATOM 0 H GLY A 38 9.565 8.401 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.424 6.772 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.787 6.557 -5.199 1.00 0.00 H new ATOM 568 N TRP A 39 10.526 4.989 -3.484 1.00 0.00 N ATOM 569 CA TRP A 39 9.930 3.899 -2.696 1.00 0.00 C ATOM 570 C TRP A 39 9.587 4.431 -1.302 1.00 0.00 C ATOM 571 O TRP A 39 10.368 5.180 -0.703 1.00 0.00 O ATOM 572 CB TRP A 39 10.907 2.699 -2.571 1.00 0.00 C ATOM 573 CG TRP A 39 11.089 1.881 -3.837 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.821 2.210 -4.948 1.00 0.00 C ATOM 575 CD2 TRP A 39 10.534 0.582 -4.100 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.745 1.206 -5.879 1.00 0.00 N ATOM 577 CE2 TRP A 39 10.969 0.194 -5.383 1.00 0.00 C ATOM 578 CE3 TRP A 39 9.713 -0.287 -3.370 1.00 0.00 C ATOM 579 CZ2 TRP A 39 10.602 -1.022 -5.955 1.00 0.00 C ATOM 580 CZ3 TRP A 39 9.358 -1.498 -3.934 1.00 0.00 C ATOM 581 CH2 TRP A 39 9.804 -1.859 -5.216 1.00 0.00 C ATOM 0 H TRP A 39 11.343 5.407 -3.039 1.00 0.00 H new ATOM 0 HA TRP A 39 9.030 3.549 -3.202 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.881 3.075 -2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.549 2.040 -1.780 1.00 0.00 H new ATOM 0 HD1 TRP A 39 12.377 3.127 -5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 39 12.195 1.213 -6.794 1.00 0.00 H new ATOM 0 HE3 TRP A 39 9.364 -0.016 -2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.934 -1.296 -6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.727 -2.178 -3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.513 -2.814 -5.628 1.00 0.00 H new ATOM 592 N TRP A 40 8.405 4.064 -0.806 1.00 0.00 N ATOM 593 CA TRP A 40 7.970 4.351 0.560 1.00 0.00 C ATOM 594 C TRP A 40 7.600 3.017 1.216 1.00 0.00 C ATOM 595 O TRP A 40 7.384 2.022 0.512 1.00 0.00 O ATOM 596 CB TRP A 40 6.759 5.315 0.554 1.00 0.00 C ATOM 597 CG TRP A 40 6.957 6.590 -0.257 1.00 0.00 C ATOM 598 CD1 TRP A 40 7.491 7.770 0.178 1.00 0.00 C ATOM 599 CD2 TRP A 40 6.618 6.801 -1.643 1.00 0.00 C ATOM 600 NE1 TRP A 40 7.482 8.697 -0.829 1.00 0.00 N ATOM 601 CE2 TRP A 40 6.954 8.126 -1.958 1.00 0.00 C ATOM 602 CE3 TRP A 40 6.063 5.995 -2.645 1.00 0.00 C ATOM 603 CZ2 TRP A 40 6.755 8.666 -3.227 1.00 0.00 C ATOM 604 CZ3 TRP A 40 5.861 6.531 -3.901 1.00 0.00 C ATOM 605 CH2 TRP A 40 6.203 7.855 -4.183 1.00 0.00 C ATOM 0 H TRP A 40 7.712 3.551 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 40 8.768 4.839 1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.892 4.783 0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.526 5.589 1.583 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.867 7.946 1.175 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.815 9.658 -0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.797 4.969 -2.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.026 9.688 -3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.431 5.916 -4.678 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.029 8.247 -5.174 1.00 0.00 H new ATOM 616 N GLU A 41 7.561 2.977 2.555 1.00 0.00 N ATOM 617 CA GLU A 41 7.196 1.756 3.303 1.00 0.00 C ATOM 618 C GLU A 41 5.839 1.930 3.991 1.00 0.00 C ATOM 619 O GLU A 41 5.476 3.034 4.418 1.00 0.00 O ATOM 620 CB GLU A 41 8.262 1.366 4.372 1.00 0.00 C ATOM 621 CG GLU A 41 9.627 0.904 3.822 1.00 0.00 C ATOM 622 CD GLU A 41 10.501 2.045 3.277 1.00 0.00 C ATOM 623 OE1 GLU A 41 11.111 2.771 4.095 1.00 0.00 O ATOM 624 OE2 GLU A 41 10.605 2.208 2.044 1.00 0.00 O ATOM 0 H GLU A 41 7.778 3.778 3.149 1.00 0.00 H new ATOM 0 HA GLU A 41 7.144 0.951 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.426 2.224 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.852 0.568 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.171 0.390 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.460 0.177 3.027 1.00 0.00 H new ATOM 631 N GLY A 42 5.125 0.803 4.113 1.00 0.00 N ATOM 632 CA GLY A 42 3.833 0.725 4.773 1.00 0.00 C ATOM 633 C GLY A 42 3.580 -0.655 5.336 1.00 0.00 C ATOM 634 O GLY A 42 4.383 -1.576 5.129 1.00 0.00 O ATOM 0 H GLY A 42 5.444 -0.093 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.789 1.460 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.045 0.980 4.064 1.00 0.00 H new ATOM 638 N GLU A 43 2.459 -0.800 6.047 1.00 0.00 N ATOM 639 CA GLU A 43 2.043 -2.072 6.629 1.00 0.00 C ATOM 640 C GLU A 43 0.536 -2.237 6.457 1.00 0.00 C ATOM 641 O GLU A 43 -0.219 -1.264 6.513 1.00 0.00 O ATOM 642 CB GLU A 43 2.445 -2.142 8.119 1.00 0.00 C ATOM 643 CG GLU A 43 2.166 -3.489 8.802 1.00 0.00 C ATOM 644 CD GLU A 43 2.625 -3.512 10.267 1.00 0.00 C ATOM 645 OE1 GLU A 43 3.821 -3.782 10.520 1.00 0.00 O ATOM 646 OE2 GLU A 43 1.798 -3.252 11.168 1.00 0.00 O ATOM 0 H GLU A 43 1.813 -0.033 6.234 1.00 0.00 H new ATOM 0 HA GLU A 43 2.547 -2.890 6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.509 -1.922 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.913 -1.360 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.098 -3.702 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.673 -4.283 8.253 1.00 0.00 H new ATOM 653 N LYS A 44 0.129 -3.485 6.236 1.00 0.00 N ATOM 654 CA LYS A 44 -1.265 -3.864 6.013 1.00 0.00 C ATOM 655 C LYS A 44 -1.874 -4.483 7.290 1.00 0.00 C ATOM 656 O LYS A 44 -1.154 -5.018 8.144 1.00 0.00 O ATOM 657 CB LYS A 44 -1.326 -4.847 4.816 1.00 0.00 C ATOM 658 CG LYS A 44 -2.731 -5.265 4.346 1.00 0.00 C ATOM 659 CD LYS A 44 -3.625 -4.071 3.937 1.00 0.00 C ATOM 660 CE LYS A 44 -5.006 -4.515 3.425 1.00 0.00 C ATOM 661 NZ LYS A 44 -5.748 -5.327 4.433 1.00 0.00 N ATOM 0 H LYS A 44 0.771 -4.277 6.206 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.857 -2.980 5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.805 -4.392 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.773 -5.747 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.635 -5.944 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.223 -5.820 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.755 -3.409 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.122 -3.494 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.595 -3.635 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.883 -5.097 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.658 -5.632 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.185 -6.163 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.920 -4.753 5.283 1.00 0.00 H new ATOM 675 N GLU A 45 -3.210 -4.408 7.375 1.00 0.00 N ATOM 676 CA GLU A 45 -4.034 -4.958 8.474 1.00 0.00 C ATOM 677 C GLU A 45 -3.750 -6.460 8.753 1.00 0.00 C ATOM 678 O GLU A 45 -3.990 -6.947 9.863 1.00 0.00 O ATOM 679 CB GLU A 45 -5.516 -4.805 8.083 1.00 0.00 C ATOM 680 CG GLU A 45 -5.949 -3.382 7.686 1.00 0.00 C ATOM 681 CD GLU A 45 -7.373 -3.349 7.113 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.539 -3.579 5.893 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.334 -3.142 7.881 1.00 0.00 O ATOM 0 H GLU A 45 -3.771 -3.948 6.658 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.787 -4.407 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.726 -5.476 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.131 -5.134 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.895 -2.731 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.253 -2.985 6.948 1.00 0.00 H new ATOM 690 N ASP A 46 -3.270 -7.174 7.717 1.00 0.00 N ATOM 691 CA ASP A 46 -2.938 -8.621 7.778 1.00 0.00 C ATOM 692 C ASP A 46 -1.756 -8.917 8.722 1.00 0.00 C ATOM 693 O ASP A 46 -1.544 -10.076 9.111 1.00 0.00 O ATOM 694 CB ASP A 46 -2.608 -9.147 6.350 1.00 0.00 C ATOM 695 CG ASP A 46 -3.811 -9.128 5.390 1.00 0.00 C ATOM 696 OD1 ASP A 46 -4.301 -8.027 5.054 1.00 0.00 O ATOM 697 OD2 ASP A 46 -4.281 -10.212 4.973 1.00 0.00 O ATOM 0 H ASP A 46 -3.098 -6.762 6.800 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.812 -9.135 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.807 -8.542 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.231 -10.167 6.426 1.00 0.00 H new ATOM 702 N GLY A 47 -0.990 -7.876 9.084 1.00 0.00 N ATOM 703 CA GLY A 47 0.265 -8.050 9.824 1.00 0.00 C ATOM 704 C GLY A 47 1.462 -8.177 8.895 1.00 0.00 C ATOM 705 O GLY A 47 2.603 -8.324 9.348 1.00 0.00 O ATOM 0 H GLY A 47 -1.220 -6.905 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.413 -7.201 10.491 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.196 -8.940 10.450 1.00 0.00 H new ATOM 709 N LEU A 48 1.188 -8.132 7.578 1.00 0.00 N ATOM 710 CA LEU A 48 2.216 -8.160 6.539 1.00 0.00 C ATOM 711 C LEU A 48 2.717 -6.735 6.302 1.00 0.00 C ATOM 712 O LEU A 48 1.925 -5.835 6.006 1.00 0.00 O ATOM 713 CB LEU A 48 1.646 -8.753 5.223 1.00 0.00 C ATOM 714 CG LEU A 48 1.086 -10.209 5.304 1.00 0.00 C ATOM 715 CD1 LEU A 48 0.546 -10.673 3.935 1.00 0.00 C ATOM 716 CD2 LEU A 48 2.140 -11.193 5.861 1.00 0.00 C ATOM 0 H LEU A 48 0.238 -8.075 7.210 1.00 0.00 H new ATOM 0 HA LEU A 48 3.042 -8.793 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.848 -8.099 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.433 -8.731 4.469 1.00 0.00 H new ATOM 0 HG LEU A 48 0.251 -10.203 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.163 -11.690 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.257 -10.008 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.350 -10.649 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.715 -12.196 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.014 -11.196 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.435 -10.882 6.863 1.00 0.00 H new ATOM 728 N ARG A 49 4.030 -6.544 6.433 1.00 0.00 N ATOM 729 CA ARG A 49 4.691 -5.258 6.220 1.00 0.00 C ATOM 730 C ARG A 49 5.413 -5.317 4.872 1.00 0.00 C ATOM 731 O ARG A 49 6.012 -6.343 4.525 1.00 0.00 O ATOM 732 CB ARG A 49 5.691 -4.973 7.367 1.00 0.00 C ATOM 733 CG ARG A 49 6.367 -3.585 7.307 1.00 0.00 C ATOM 734 CD ARG A 49 7.487 -3.428 8.349 1.00 0.00 C ATOM 735 NE ARG A 49 8.545 -4.441 8.167 1.00 0.00 N ATOM 736 CZ ARG A 49 9.757 -4.216 7.628 1.00 0.00 C ATOM 737 NH1 ARG A 49 10.125 -2.994 7.250 1.00 0.00 N ATOM 738 NH2 ARG A 49 10.600 -5.227 7.473 1.00 0.00 N ATOM 0 H ARG A 49 4.674 -7.291 6.694 1.00 0.00 H new ATOM 0 HA ARG A 49 3.959 -4.450 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.167 -5.066 8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.466 -5.740 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.779 -3.428 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.616 -2.812 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.920 -2.431 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.067 -3.516 9.351 1.00 0.00 H new ATOM 0 HE ARG A 49 8.340 -5.391 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.484 -2.209 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.048 -2.842 6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.328 -6.167 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.521 -5.065 7.065 1.00 0.00 H new ATOM 752 N GLY A 50 5.331 -4.229 4.122 1.00 0.00 N ATOM 753 CA GLY A 50 5.893 -4.131 2.784 1.00 0.00 C ATOM 754 C GLY A 50 5.066 -3.181 1.961 1.00 0.00 C ATOM 755 O GLY A 50 3.874 -2.983 2.253 1.00 0.00 O ATOM 0 H GLY A 50 4.865 -3.376 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.924 -3.781 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.913 -5.114 2.313 1.00 0.00 H new ATOM 759 N TRP A 51 5.679 -2.574 0.944 1.00 0.00 N ATOM 760 CA TRP A 51 5.012 -1.550 0.141 1.00 0.00 C ATOM 761 C TRP A 51 5.621 -1.463 -1.263 1.00 0.00 C ATOM 762 O TRP A 51 6.644 -2.092 -1.565 1.00 0.00 O ATOM 763 CB TRP A 51 5.034 -0.177 0.887 1.00 0.00 C ATOM 764 CG TRP A 51 3.743 0.595 0.766 1.00 0.00 C ATOM 765 CD1 TRP A 51 2.532 0.222 1.273 1.00 0.00 C ATOM 766 CD2 TRP A 51 3.530 1.842 0.117 1.00 0.00 C ATOM 767 NE1 TRP A 51 1.591 1.159 0.966 1.00 0.00 N ATOM 768 CE2 TRP A 51 2.175 2.154 0.255 1.00 0.00 C ATOM 769 CE3 TRP A 51 4.354 2.717 -0.580 1.00 0.00 C ATOM 770 CZ2 TRP A 51 1.626 3.306 -0.267 1.00 0.00 C ATOM 771 CZ3 TRP A 51 3.803 3.865 -1.098 1.00 0.00 C ATOM 772 CH2 TRP A 51 2.453 4.153 -0.944 1.00 0.00 C ATOM 0 H TRP A 51 6.637 -2.774 0.657 1.00 0.00 H new ATOM 0 HA TRP A 51 3.968 -1.833 0.008 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.248 -0.349 1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.849 0.429 0.492 1.00 0.00 H new ATOM 0 HD1 TRP A 51 2.347 -0.682 1.834 1.00 0.00 H new ATOM 0 HE1 TRP A 51 0.606 1.118 1.229 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.404 2.500 -0.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.577 3.530 -0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.433 4.558 -1.636 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.052 5.062 -1.367 1.00 0.00 H new ATOM 783 N PHE A 52 4.966 -0.663 -2.109 1.00 0.00 N ATOM 784 CA PHE A 52 5.211 -0.601 -3.564 1.00 0.00 C ATOM 785 C PHE A 52 5.174 0.864 -4.032 1.00 0.00 C ATOM 786 O PHE A 52 4.488 1.676 -3.413 1.00 0.00 O ATOM 787 CB PHE A 52 4.141 -1.438 -4.330 1.00 0.00 C ATOM 788 CG PHE A 52 4.239 -2.941 -4.105 1.00 0.00 C ATOM 789 CD1 PHE A 52 5.172 -3.708 -4.804 1.00 0.00 C ATOM 790 CD2 PHE A 52 3.413 -3.585 -3.188 1.00 0.00 C ATOM 791 CE1 PHE A 52 5.273 -5.073 -4.587 1.00 0.00 C ATOM 792 CE2 PHE A 52 3.513 -4.942 -2.980 1.00 0.00 C ATOM 793 CZ PHE A 52 4.443 -5.688 -3.674 1.00 0.00 C ATOM 0 H PHE A 52 4.233 -0.024 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 52 6.194 -1.020 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.149 -1.102 -4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.235 -1.236 -5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.823 -3.232 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.685 -3.013 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.001 -5.655 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.859 -5.426 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.521 -6.751 -3.502 1.00 0.00 H new ATOM 803 N PRO A 53 5.893 1.227 -5.152 1.00 0.00 N ATOM 804 CA PRO A 53 5.922 2.621 -5.667 1.00 0.00 C ATOM 805 C PRO A 53 4.527 3.142 -6.105 1.00 0.00 C ATOM 806 O PRO A 53 3.548 2.380 -6.174 1.00 0.00 O ATOM 807 CB PRO A 53 6.900 2.535 -6.874 1.00 0.00 C ATOM 808 CG PRO A 53 6.863 1.099 -7.289 1.00 0.00 C ATOM 809 CD PRO A 53 6.725 0.324 -5.999 1.00 0.00 C ATOM 0 HA PRO A 53 6.234 3.330 -4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.586 3.190 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.907 2.840 -6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.026 0.903 -7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.771 0.819 -7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.241 -0.640 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.695 0.123 -5.543 1.00 0.00 H new ATOM 817 N ALA A 54 4.489 4.447 -6.437 1.00 0.00 N ATOM 818 CA ALA A 54 3.268 5.175 -6.872 1.00 0.00 C ATOM 819 C ALA A 54 2.605 4.560 -8.135 1.00 0.00 C ATOM 820 O ALA A 54 1.451 4.868 -8.459 1.00 0.00 O ATOM 821 CB ALA A 54 3.600 6.667 -7.097 1.00 0.00 C ATOM 0 H ALA A 54 5.318 5.041 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 54 2.535 5.079 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.702 7.196 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.967 7.102 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.366 6.757 -7.867 1.00 0.00 H new ATOM 827 N SER A 55 3.357 3.695 -8.842 1.00 0.00 N ATOM 828 CA SER A 55 2.861 2.946 -10.010 1.00 0.00 C ATOM 829 C SER A 55 1.679 2.014 -9.645 1.00 0.00 C ATOM 830 O SER A 55 0.766 1.799 -10.452 1.00 0.00 O ATOM 831 CB SER A 55 4.019 2.132 -10.627 1.00 0.00 C ATOM 832 OG SER A 55 3.616 1.462 -11.811 1.00 0.00 O ATOM 0 H SER A 55 4.332 3.496 -8.617 1.00 0.00 H new ATOM 0 HA SER A 55 2.486 3.665 -10.738 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.853 2.797 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.379 1.403 -9.901 1.00 0.00 H new ATOM 0 HG SER A 55 4.373 0.958 -12.176 1.00 0.00 H new ATOM 838 N TYR A 56 1.715 1.464 -8.423 1.00 0.00 N ATOM 839 CA TYR A 56 0.684 0.533 -7.923 1.00 0.00 C ATOM 840 C TYR A 56 -0.427 1.279 -7.166 1.00 0.00 C ATOM 841 O TYR A 56 -1.593 0.863 -7.192 1.00 0.00 O ATOM 842 CB TYR A 56 1.327 -0.520 -6.983 1.00 0.00 C ATOM 843 CG TYR A 56 2.248 -1.521 -7.693 1.00 0.00 C ATOM 844 CD1 TYR A 56 3.597 -1.231 -7.934 1.00 0.00 C ATOM 845 CD2 TYR A 56 1.766 -2.762 -8.120 1.00 0.00 C ATOM 846 CE1 TYR A 56 4.420 -2.137 -8.572 1.00 0.00 C ATOM 847 CE2 TYR A 56 2.589 -3.669 -8.757 1.00 0.00 C ATOM 848 CZ TYR A 56 3.913 -3.354 -8.983 1.00 0.00 C ATOM 849 OH TYR A 56 4.734 -4.262 -9.616 1.00 0.00 O ATOM 0 H TYR A 56 2.459 1.650 -7.750 1.00 0.00 H new ATOM 0 HA TYR A 56 0.241 0.037 -8.786 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.898 -0.002 -6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.534 -1.070 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.000 -0.281 -7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.730 -3.016 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.457 -1.895 -8.749 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.197 -4.623 -9.078 1.00 0.00 H new ATOM 0 HH TYR A 56 4.221 -5.067 -9.838 1.00 0.00 H new ATOM 859 N VAL A 57 -0.054 2.375 -6.483 1.00 0.00 N ATOM 860 CA VAL A 57 -0.916 3.044 -5.487 1.00 0.00 C ATOM 861 C VAL A 57 -0.833 4.577 -5.623 1.00 0.00 C ATOM 862 O VAL A 57 0.246 5.127 -5.825 1.00 0.00 O ATOM 863 CB VAL A 57 -0.495 2.625 -4.020 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.893 1.164 -3.693 1.00 0.00 C ATOM 865 CG2 VAL A 57 1.029 2.826 -3.807 1.00 0.00 C ATOM 0 H VAL A 57 0.854 2.824 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.943 2.729 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.039 3.275 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.584 0.922 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.974 1.053 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.402 0.488 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.296 2.532 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.580 2.212 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.282 3.875 -3.959 1.00 0.00 H new ATOM 875 N GLN A 58 -1.984 5.261 -5.507 1.00 0.00 N ATOM 876 CA GLN A 58 -2.050 6.738 -5.490 1.00 0.00 C ATOM 877 C GLN A 58 -2.121 7.255 -4.048 1.00 0.00 C ATOM 878 O GLN A 58 -2.970 6.826 -3.262 1.00 0.00 O ATOM 879 CB GLN A 58 -3.255 7.254 -6.324 1.00 0.00 C ATOM 880 CG GLN A 58 -3.013 7.253 -7.840 1.00 0.00 C ATOM 881 CD GLN A 58 -1.840 8.140 -8.270 1.00 0.00 C ATOM 882 OE1 GLN A 58 -0.699 7.688 -8.364 1.00 0.00 O ATOM 883 NE2 GLN A 58 -2.115 9.412 -8.514 1.00 0.00 N ATOM 0 H GLN A 58 -2.895 4.810 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.140 7.124 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.126 6.636 -6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.496 8.268 -6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.826 6.231 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.918 7.590 -8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.072 9.753 -8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.369 10.051 -8.790 1.00 0.00 H new ATOM 892 N LEU A 59 -1.226 8.206 -3.741 1.00 0.00 N ATOM 893 CA LEU A 59 -1.031 8.742 -2.390 1.00 0.00 C ATOM 894 C LEU A 59 -2.119 9.777 -2.063 1.00 0.00 C ATOM 895 O LEU A 59 -2.249 10.797 -2.757 1.00 0.00 O ATOM 896 CB LEU A 59 0.404 9.341 -2.224 1.00 0.00 C ATOM 897 CG LEU A 59 1.608 8.345 -2.436 1.00 0.00 C ATOM 898 CD1 LEU A 59 1.915 8.094 -3.929 1.00 0.00 C ATOM 899 CD2 LEU A 59 2.869 8.800 -1.661 1.00 0.00 C ATOM 0 H LEU A 59 -0.610 8.629 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.122 7.923 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.514 10.165 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.484 9.765 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 59 1.295 7.387 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.752 7.401 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.038 7.666 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.172 9.037 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.677 8.089 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.174 9.787 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.645 8.845 -0.595 1.00 0.00 H new ATOM 911 N LEU A 60 -2.908 9.478 -1.019 1.00 0.00 N ATOM 912 CA LEU A 60 -4.040 10.305 -0.585 1.00 0.00 C ATOM 913 C LEU A 60 -3.549 11.392 0.406 1.00 0.00 C ATOM 914 O LEU A 60 -3.415 11.098 1.613 1.00 0.00 O ATOM 915 CB LEU A 60 -5.137 9.401 0.056 1.00 0.00 C ATOM 916 CG LEU A 60 -5.710 8.270 -0.850 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.756 7.417 -0.101 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.296 8.841 -2.157 1.00 0.00 C ATOM 919 OXT LEU A 60 -3.260 12.525 -0.028 1.00 0.00 O ATOM 0 H LEU A 60 -2.774 8.644 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.479 10.810 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.723 8.944 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.963 10.037 0.374 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.879 7.616 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.133 6.639 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.293 6.957 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.582 8.052 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.687 8.027 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.101 9.537 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.514 9.364 -2.708 1.00 0.00 H new TER 931 LEU A 60