USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 477 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 : P 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 2 MET CE :methyl -132:sc= -0.154 (180deg=-0.901) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.26) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 71:sc= 0.326 USER MOD Single : P 11 SER OG : rot -28:sc= 0.0608 USER MOD Single : P 17 SER OG : rot -69:sc= 0.383! USER MOD Single : P 18 THR OG1 : rot 180:sc= 0 USER MOD Single : P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 24 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : P 27 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : P 28 ASN : amide:sc= -1.8! C(o=-1.8!,f=-4.2!) USER MOD Single : P 30 GLN : amide:sc=-0.00663 K(o=-0.0066,f=-1.3!) USER MOD Single : P 31 ASN : amide:sc= -3.58! C(o=-3.6!,f=-4!) USER MOD Single : P 35 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.3!) USER MOD Single : P 51 MET CE :methyl -155:sc= -2.16! (180deg=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -13.366 -31.984 9.602 1.00 1.00 N ATOM 2 CA ALA P 1 -14.478 -31.271 10.293 1.00 1.00 C ATOM 3 C ALA P 1 -14.436 -31.583 11.785 1.00 1.00 C ATOM 4 O ALA P 1 -14.358 -32.743 12.185 1.00 1.00 O ATOM 5 CB ALA P 1 -15.812 -31.724 9.703 1.00 1.00 C ATOM 0 H1 ALA P 1 -13.396 -31.770 8.585 1.00 1.00 H new ATOM 0 H2 ALA P 1 -12.456 -31.671 9.995 1.00 1.00 H new ATOM 0 H3 ALA P 1 -13.470 -33.009 9.744 1.00 1.00 H new ATOM 0 HA ALA P 1 -14.368 -30.196 10.152 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -16.628 -31.204 10.206 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -15.836 -31.492 8.638 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -15.925 -32.799 9.843 1.00 1.00 H new ATOM 13 N MET P 2 -14.485 -30.531 12.606 1.00 1.00 N ATOM 14 CA MET P 2 -14.453 -30.675 14.070 1.00 1.00 C ATOM 15 C MET P 2 -15.646 -29.950 14.682 1.00 1.00 C ATOM 16 O MET P 2 -16.118 -28.953 14.139 1.00 1.00 O ATOM 17 CB MET P 2 -13.151 -30.087 14.623 1.00 1.00 C ATOM 18 CG MET P 2 -11.950 -30.844 14.051 1.00 1.00 C ATOM 19 SD MET P 2 -11.988 -32.576 14.586 1.00 1.00 S ATOM 20 CE MET P 2 -11.635 -32.308 16.342 1.00 1.00 C ATOM 0 H MET P 2 -14.547 -29.565 12.284 1.00 1.00 H new ATOM 0 HA MET P 2 -14.503 -31.733 14.327 1.00 1.00 H new ATOM 0 HB2 MET P 2 -13.081 -29.030 14.365 1.00 1.00 H new ATOM 0 HB3 MET P 2 -13.147 -30.151 15.711 1.00 1.00 H new ATOM 0 HG2 MET P 2 -11.963 -30.792 12.962 1.00 1.00 H new ATOM 0 HG3 MET P 2 -11.024 -30.374 14.382 1.00 1.00 H new ATOM 0 HE1 MET P 2 -10.850 -32.992 16.664 1.00 1.00 H new ATOM 0 HE2 MET P 2 -11.306 -31.280 16.494 1.00 1.00 H new ATOM 0 HE3 MET P 2 -12.537 -32.490 16.926 1.00 1.00 H new ATOM 30 N GLU P 3 -16.128 -30.456 15.812 1.00 1.00 N ATOM 31 CA GLU P 3 -17.270 -29.846 16.486 1.00 1.00 C ATOM 32 C GLU P 3 -16.916 -28.449 16.984 1.00 1.00 C ATOM 33 O GLU P 3 -17.783 -27.583 17.087 1.00 1.00 O ATOM 34 CB GLU P 3 -17.715 -30.721 17.664 1.00 1.00 C ATOM 35 CG GLU P 3 -18.971 -30.127 18.302 1.00 1.00 C ATOM 36 CD GLU P 3 -19.459 -31.026 19.431 1.00 1.00 C ATOM 37 OE1 GLU P 3 -18.725 -31.925 19.807 1.00 1.00 O ATOM 38 OE2 GLU P 3 -20.560 -30.801 19.903 1.00 1.00 O ATOM 0 H GLU P 3 -15.750 -31.281 16.278 1.00 1.00 H new ATOM 0 HA GLU P 3 -18.088 -29.764 15.771 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -17.915 -31.736 17.320 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -16.916 -30.786 18.403 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -18.756 -29.130 18.687 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -19.753 -30.017 17.551 1.00 1.00 H new ATOM 45 N LYS P 4 -15.641 -28.235 17.295 1.00 1.00 N ATOM 46 CA LYS P 4 -15.187 -26.935 17.786 1.00 1.00 C ATOM 47 C LYS P 4 -15.377 -25.847 16.732 1.00 1.00 C ATOM 48 O LYS P 4 -15.259 -24.656 17.032 1.00 1.00 O ATOM 49 CB LYS P 4 -13.710 -27.009 18.179 1.00 1.00 C ATOM 50 CG LYS P 4 -13.548 -27.912 19.401 1.00 1.00 C ATOM 51 CD LYS P 4 -12.072 -27.977 19.794 1.00 1.00 C ATOM 52 CE LYS P 4 -11.902 -28.880 21.016 1.00 1.00 C ATOM 53 NZ LYS P 4 -10.461 -28.935 21.396 1.00 1.00 N ATOM 0 H LYS P 4 -14.907 -28.939 17.217 1.00 1.00 H new ATOM 0 HA LYS P 4 -15.788 -26.680 18.659 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -13.121 -27.397 17.348 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -13.332 -26.011 18.399 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -14.140 -27.528 20.232 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -13.921 -28.912 19.180 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -11.481 -28.360 18.962 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -11.700 -26.976 20.015 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -12.494 -28.499 21.848 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -12.270 -29.882 20.795 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -10.344 -29.549 22.227 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -9.907 -29.317 20.603 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -10.125 -27.977 21.623 1.00 1.00 H new ATOM 67 N VAL P 5 -15.670 -26.254 15.500 1.00 1.00 N ATOM 68 CA VAL P 5 -15.870 -25.293 14.427 1.00 1.00 C ATOM 69 C VAL P 5 -17.069 -24.410 14.731 1.00 1.00 C ATOM 70 O VAL P 5 -17.024 -23.193 14.549 1.00 1.00 O ATOM 71 CB VAL P 5 -16.077 -26.018 13.095 1.00 1.00 C ATOM 72 CG1 VAL P 5 -16.433 -25.005 12.000 1.00 1.00 C ATOM 73 CG2 VAL P 5 -14.789 -26.743 12.706 1.00 1.00 C ATOM 0 H VAL P 5 -15.773 -27.231 15.225 1.00 1.00 H new ATOM 0 HA VAL P 5 -14.981 -24.667 14.351 1.00 1.00 H new ATOM 0 HB VAL P 5 -16.889 -26.737 13.202 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -16.579 -25.527 11.055 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -17.351 -24.483 12.272 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -15.623 -24.284 11.894 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -14.935 -27.260 11.758 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -13.980 -26.019 12.604 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -14.532 -27.468 13.478 1.00 1.00 H new ATOM 83 N GLN P 6 -18.140 -25.033 15.196 1.00 1.00 N ATOM 84 CA GLN P 6 -19.358 -24.302 15.526 1.00 1.00 C ATOM 85 C GLN P 6 -19.100 -23.307 16.651 1.00 1.00 C ATOM 86 O GLN P 6 -19.584 -22.176 16.615 1.00 1.00 O ATOM 87 CB GLN P 6 -20.461 -25.280 15.944 1.00 1.00 C ATOM 88 CG GLN P 6 -20.767 -26.246 14.792 1.00 1.00 C ATOM 89 CD GLN P 6 -21.334 -25.483 13.596 1.00 1.00 C ATOM 90 OE1 GLN P 6 -22.300 -24.735 13.740 1.00 1.00 O ATOM 91 NE2 GLN P 6 -20.790 -25.629 12.420 1.00 1.00 N ATOM 0 H GLN P 6 -18.193 -26.039 15.354 1.00 1.00 H new ATOM 0 HA GLN P 6 -19.679 -23.753 14.641 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -20.148 -25.839 16.826 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -21.362 -24.730 16.218 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -19.859 -26.772 14.499 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -21.481 -27.001 15.122 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -19.989 -26.250 12.302 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -21.165 -25.123 11.618 1.00 1.00 H new ATOM 100 N TYR P 7 -18.337 -23.736 17.644 1.00 1.00 N ATOM 101 CA TYR P 7 -18.022 -22.869 18.774 1.00 1.00 C ATOM 102 C TYR P 7 -17.271 -21.628 18.289 1.00 1.00 C ATOM 103 O TYR P 7 -17.610 -20.500 18.648 1.00 1.00 O ATOM 104 CB TYR P 7 -17.166 -23.627 19.792 1.00 1.00 C ATOM 105 CG TYR P 7 -16.772 -22.695 20.912 1.00 1.00 C ATOM 106 CD1 TYR P 7 -17.634 -22.498 21.999 1.00 1.00 C ATOM 107 CD2 TYR P 7 -15.545 -22.024 20.862 1.00 1.00 C ATOM 108 CE1 TYR P 7 -17.267 -21.633 23.034 1.00 1.00 C ATOM 109 CE2 TYR P 7 -15.179 -21.157 21.898 1.00 1.00 C ATOM 110 CZ TYR P 7 -16.041 -20.962 22.984 1.00 1.00 C ATOM 111 OH TYR P 7 -15.682 -20.108 24.003 1.00 1.00 O ATOM 0 H TYR P 7 -17.927 -24.669 17.693 1.00 1.00 H new ATOM 0 HA TYR P 7 -18.952 -22.559 19.250 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -17.722 -24.476 20.190 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -16.275 -24.028 19.308 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -18.582 -23.014 22.037 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -14.881 -22.175 20.024 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -17.931 -21.483 23.873 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -14.232 -20.639 21.860 1.00 1.00 H new ATOM 0 HH TYR P 7 -14.800 -19.725 23.813 1.00 1.00 H new ATOM 121 N LEU P 8 -16.247 -21.849 17.474 1.00 1.00 N ATOM 122 CA LEU P 8 -15.454 -20.742 16.947 1.00 1.00 C ATOM 123 C LEU P 8 -16.368 -19.735 16.257 1.00 1.00 C ATOM 124 O LEU P 8 -16.169 -18.527 16.377 1.00 1.00 O ATOM 125 CB LEU P 8 -14.409 -21.263 15.953 1.00 1.00 C ATOM 126 CG LEU P 8 -13.320 -22.064 16.683 1.00 1.00 C ATOM 127 CD1 LEU P 8 -12.467 -22.797 15.644 1.00 1.00 C ATOM 128 CD2 LEU P 8 -12.421 -21.127 17.529 1.00 1.00 C ATOM 0 H LEU P 8 -15.947 -22.774 17.165 1.00 1.00 H new ATOM 0 HA LEU P 8 -14.939 -20.253 17.774 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -14.892 -21.893 15.206 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -13.957 -20.426 15.420 1.00 1.00 H new ATOM 0 HG LEU P 8 -13.794 -22.780 17.355 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -11.690 -23.370 16.150 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -13.098 -23.473 15.067 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -12.005 -22.071 14.975 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -11.657 -21.716 18.037 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -11.942 -20.396 16.877 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -13.031 -20.608 18.269 1.00 1.00 H new ATOM 140 N THR P 9 -17.372 -20.230 15.542 1.00 1.00 N ATOM 141 CA THR P 9 -18.301 -19.341 14.854 1.00 1.00 C ATOM 142 C THR P 9 -19.003 -18.459 15.884 1.00 1.00 C ATOM 143 O THR P 9 -19.119 -17.240 15.718 1.00 1.00 O ATOM 144 CB THR P 9 -19.336 -20.157 14.075 1.00 1.00 C ATOM 145 OG1 THR P 9 -18.668 -21.139 13.295 1.00 1.00 O ATOM 146 CG2 THR P 9 -20.139 -19.228 13.165 1.00 1.00 C ATOM 0 H THR P 9 -17.562 -21.225 15.424 1.00 1.00 H new ATOM 0 HA THR P 9 -17.750 -18.717 14.150 1.00 1.00 H new ATOM 0 HB THR P 9 -20.016 -20.649 14.771 1.00 1.00 H new ATOM 0 HG1 THR P 9 -18.299 -21.830 13.884 1.00 1.00 H new ATOM 0 HG21 THR P 9 -20.876 -19.809 12.611 1.00 1.00 H new ATOM 0 HG22 THR P 9 -20.649 -18.478 13.770 1.00 1.00 H new ATOM 0 HG23 THR P 9 -19.466 -18.733 12.465 1.00 1.00 H new ATOM 154 N ARG P 10 -19.468 -19.084 16.958 1.00 1.00 N ATOM 155 CA ARG P 10 -20.149 -18.344 18.009 1.00 1.00 C ATOM 156 C ARG P 10 -19.195 -17.296 18.562 1.00 1.00 C ATOM 157 O ARG P 10 -19.576 -16.163 18.815 1.00 1.00 O ATOM 158 CB ARG P 10 -20.587 -19.290 19.134 1.00 1.00 C ATOM 159 CG ARG P 10 -21.656 -20.276 18.631 1.00 1.00 C ATOM 160 CD ARG P 10 -23.049 -19.627 18.646 1.00 1.00 C ATOM 161 NE ARG P 10 -24.066 -20.620 18.298 1.00 1.00 N ATOM 162 CZ ARG P 10 -24.442 -20.827 17.032 1.00 1.00 C ATOM 163 NH1 ARG P 10 -23.895 -20.144 16.060 1.00 1.00 N ATOM 164 NH2 ARG P 10 -25.358 -21.718 16.767 1.00 1.00 N ATOM 0 H ARG P 10 -19.387 -20.087 17.122 1.00 1.00 H new ATOM 0 HA ARG P 10 -21.038 -17.865 17.598 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -19.724 -19.841 19.509 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -20.983 -18.712 19.969 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -21.412 -20.599 17.619 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -21.659 -21.167 19.258 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -23.256 -19.213 19.633 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -23.081 -18.798 17.939 1.00 1.00 H new ATOM 0 HE ARG P 10 -24.499 -21.169 19.041 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -23.177 -19.449 16.266 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -24.186 -20.306 15.096 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -25.784 -22.253 17.524 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -25.648 -21.880 15.803 1.00 1.00 H new ATOM 178 N SER P 11 -17.948 -17.688 18.742 1.00 1.00 N ATOM 179 CA SER P 11 -16.943 -16.770 19.260 1.00 1.00 C ATOM 180 C SER P 11 -16.642 -15.693 18.222 1.00 1.00 C ATOM 181 O SER P 11 -16.082 -14.645 18.546 1.00 1.00 O ATOM 182 CB SER P 11 -15.662 -17.527 19.607 1.00 1.00 C ATOM 183 OG SER P 11 -14.715 -16.616 20.152 1.00 1.00 O ATOM 0 H SER P 11 -17.605 -18.627 18.540 1.00 1.00 H new ATOM 0 HA SER P 11 -17.330 -16.300 20.165 1.00 1.00 H new ATOM 0 HB2 SER P 11 -15.876 -18.320 20.324 1.00 1.00 H new ATOM 0 HB3 SER P 11 -15.254 -18.004 18.716 1.00 1.00 H new ATOM 0 HG SER P 11 -14.879 -15.719 19.792 1.00 1.00 H new ATOM 189 N ALA P 12 -17.025 -15.963 16.972 1.00 1.00 N ATOM 190 CA ALA P 12 -16.795 -15.017 15.897 1.00 1.00 C ATOM 191 C ALA P 12 -17.702 -13.815 16.061 1.00 1.00 C ATOM 192 O ALA P 12 -17.307 -12.678 15.807 1.00 1.00 O ATOM 193 CB ALA P 12 -17.032 -15.672 14.529 1.00 1.00 C ATOM 0 H ALA P 12 -17.492 -16.824 16.688 1.00 1.00 H new ATOM 0 HA ALA P 12 -15.756 -14.692 15.944 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -16.853 -14.942 13.740 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -16.351 -16.514 14.406 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -18.061 -16.026 14.469 1.00 1.00 H new ATOM 199 N ILE P 13 -18.929 -14.075 16.485 1.00 1.00 N ATOM 200 CA ILE P 13 -19.895 -12.996 16.680 1.00 1.00 C ATOM 201 C ILE P 13 -19.586 -12.223 17.981 1.00 1.00 C ATOM 202 O ILE P 13 -19.793 -11.013 18.069 1.00 1.00 O ATOM 203 CB ILE P 13 -21.352 -13.566 16.678 1.00 1.00 C ATOM 204 CG1 ILE P 13 -22.332 -12.552 16.044 1.00 1.00 C ATOM 205 CG2 ILE P 13 -21.843 -13.897 18.100 1.00 1.00 C ATOM 206 CD1 ILE P 13 -22.218 -11.186 16.729 1.00 1.00 C ATOM 0 H ILE P 13 -19.280 -15.009 16.699 1.00 1.00 H new ATOM 0 HA ILE P 13 -19.813 -12.292 15.852 1.00 1.00 H new ATOM 0 HB ILE P 13 -21.328 -14.484 16.091 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -22.119 -12.449 14.980 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -23.353 -12.923 16.130 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -22.859 -14.290 18.052 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -21.186 -14.643 18.547 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -21.832 -12.993 18.708 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -22.916 -10.488 16.267 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -22.455 -11.289 17.788 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -21.202 -10.808 16.620 1.00 1.00 H new ATOM 218 N ARG P 14 -19.098 -12.946 18.990 1.00 1.00 N ATOM 219 CA ARG P 14 -18.778 -12.327 20.279 1.00 1.00 C ATOM 220 C ARG P 14 -17.509 -11.481 20.222 1.00 1.00 C ATOM 221 O ARG P 14 -17.498 -10.340 20.685 1.00 1.00 O ATOM 222 CB ARG P 14 -18.627 -13.418 21.347 1.00 1.00 C ATOM 223 CG ARG P 14 -18.406 -12.781 22.727 1.00 1.00 C ATOM 224 CD ARG P 14 -18.287 -13.880 23.785 1.00 1.00 C ATOM 225 NE ARG P 14 -18.202 -13.294 25.127 1.00 1.00 N ATOM 226 CZ ARG P 14 -19.295 -13.018 25.836 1.00 1.00 C ATOM 227 NH1 ARG P 14 -20.476 -13.262 25.338 1.00 1.00 N ATOM 228 NH2 ARG P 14 -19.187 -12.506 27.030 1.00 1.00 N ATOM 0 H ARG P 14 -18.917 -13.949 18.943 1.00 1.00 H new ATOM 0 HA ARG P 14 -19.600 -11.658 20.534 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -19.519 -14.045 21.366 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -17.787 -14.067 21.099 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -17.502 -12.172 22.717 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -19.235 -12.117 22.969 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -19.149 -14.545 23.726 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -17.403 -14.487 23.590 1.00 1.00 H new ATOM 0 HE ARG P 14 -17.285 -13.093 25.526 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -20.563 -13.665 24.405 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -21.313 -13.050 25.882 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -18.265 -12.316 27.422 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -20.025 -12.295 27.572 1.00 1.00 H new ATOM 242 N ARG P 15 -16.450 -12.041 19.667 1.00 1.00 N ATOM 243 CA ARG P 15 -15.187 -11.330 19.570 1.00 1.00 C ATOM 244 C ARG P 15 -15.374 -10.029 18.830 1.00 1.00 C ATOM 245 O ARG P 15 -14.717 -9.055 19.128 1.00 1.00 O ATOM 246 CB ARG P 15 -14.138 -12.189 18.854 1.00 1.00 C ATOM 247 CG ARG P 15 -14.490 -12.332 17.373 1.00 1.00 C ATOM 248 CD ARG P 15 -13.563 -13.354 16.722 1.00 1.00 C ATOM 249 NE ARG P 15 -12.180 -12.895 16.809 1.00 1.00 N ATOM 250 CZ ARG P 15 -11.737 -11.905 16.041 1.00 1.00 C ATOM 251 NH1 ARG P 15 -12.540 -11.331 15.188 1.00 1.00 N ATOM 252 NH2 ARG P 15 -10.499 -11.506 16.138 1.00 1.00 N ATOM 0 H ARG P 15 -16.438 -12.984 19.277 1.00 1.00 H new ATOM 0 HA ARG P 15 -14.836 -11.118 20.580 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -13.153 -11.734 18.958 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -14.085 -13.173 19.319 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -15.528 -12.647 17.264 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -14.395 -11.369 16.872 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -13.667 -14.320 17.217 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -13.842 -13.499 15.678 1.00 1.00 H new ATOM 0 HE ARG P 15 -11.544 -13.341 17.470 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -13.508 -11.642 15.110 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -12.200 -10.571 14.599 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -9.869 -11.954 16.804 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -10.160 -10.746 15.548 1.00 1.00 H new ATOM 266 N ALA P 16 -16.283 -10.030 17.869 1.00 1.00 N ATOM 267 CA ALA P 16 -16.551 -8.832 17.095 1.00 1.00 C ATOM 268 C ALA P 16 -17.161 -7.783 18.002 1.00 1.00 C ATOM 269 O ALA P 16 -16.854 -6.597 17.898 1.00 1.00 O ATOM 270 CB ALA P 16 -17.509 -9.149 15.945 1.00 1.00 C ATOM 0 H ALA P 16 -16.844 -10.841 17.608 1.00 1.00 H new ATOM 0 HA ALA P 16 -15.618 -8.456 16.675 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -17.702 -8.242 15.372 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -17.061 -9.901 15.295 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -18.447 -9.530 16.348 1.00 1.00 H new ATOM 276 N SER P 17 -18.032 -8.240 18.890 1.00 1.00 N ATOM 277 CA SER P 17 -18.697 -7.343 19.822 1.00 1.00 C ATOM 278 C SER P 17 -17.699 -6.764 20.825 1.00 1.00 C ATOM 279 O SER P 17 -17.507 -5.549 20.891 1.00 1.00 O ATOM 280 CB SER P 17 -19.806 -8.090 20.564 1.00 1.00 C ATOM 281 OG SER P 17 -19.224 -8.956 21.531 1.00 1.00 O ATOM 0 H SER P 17 -18.293 -9.221 18.984 1.00 1.00 H new ATOM 0 HA SER P 17 -19.133 -6.520 19.255 1.00 1.00 H new ATOM 0 HB2 SER P 17 -20.476 -7.381 21.050 1.00 1.00 H new ATOM 0 HB3 SER P 17 -20.408 -8.665 19.860 1.00 1.00 H new ATOM 0 HG SER P 17 -18.757 -9.687 21.076 1.00 1.00 H new ATOM 287 N THR P 18 -17.069 -7.632 21.617 1.00 1.00 N ATOM 288 CA THR P 18 -16.102 -7.178 22.619 1.00 1.00 C ATOM 289 C THR P 18 -14.745 -6.828 22.013 1.00 1.00 C ATOM 290 O THR P 18 -13.994 -6.078 22.633 1.00 1.00 O ATOM 291 CB THR P 18 -15.924 -8.249 23.700 1.00 1.00 C ATOM 292 OG1 THR P 18 -15.117 -7.732 24.749 1.00 1.00 O ATOM 293 CG2 THR P 18 -15.259 -9.488 23.100 1.00 1.00 C ATOM 0 H THR P 18 -17.208 -8.642 21.586 1.00 1.00 H new ATOM 0 HA THR P 18 -16.505 -6.266 23.058 1.00 1.00 H new ATOM 0 HB THR P 18 -16.901 -8.527 24.096 1.00 1.00 H new ATOM 0 HG1 THR P 18 -15.004 -8.416 25.442 1.00 1.00 H new ATOM 0 HG21 THR P 18 -15.135 -10.245 23.874 1.00 1.00 H new ATOM 0 HG22 THR P 18 -15.884 -9.885 22.300 1.00 1.00 H new ATOM 0 HG23 THR P 18 -14.283 -9.218 22.697 1.00 1.00 H new ATOM 301 N ILE P 19 -14.454 -7.384 20.814 1.00 1.00 N ATOM 302 CA ILE P 19 -13.167 -7.157 20.080 1.00 1.00 C ATOM 303 C ILE P 19 -12.177 -6.307 20.891 1.00 1.00 C ATOM 304 O ILE P 19 -12.416 -5.120 21.129 1.00 1.00 O ATOM 305 CB ILE P 19 -13.443 -6.482 18.708 1.00 1.00 C ATOM 306 CG1 ILE P 19 -12.130 -5.994 18.051 1.00 1.00 C ATOM 307 CG2 ILE P 19 -14.389 -5.295 18.875 1.00 1.00 C ATOM 308 CD1 ILE P 19 -11.121 -7.144 17.982 1.00 1.00 C ATOM 0 H ILE P 19 -15.097 -8.003 20.321 1.00 1.00 H new ATOM 0 HA ILE P 19 -12.709 -8.134 19.923 1.00 1.00 H new ATOM 0 HB ILE P 19 -13.905 -7.230 18.063 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -12.333 -5.617 17.049 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -11.712 -5.166 18.624 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -14.571 -4.835 17.904 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -15.334 -5.639 19.296 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -13.939 -4.562 19.545 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -10.199 -6.792 17.518 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -10.907 -7.501 18.989 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -11.538 -7.958 17.389 1.00 1.00 H new ATOM 320 N GLU P 20 -11.076 -6.954 21.305 1.00 1.00 N ATOM 321 CA GLU P 20 -10.009 -6.325 22.101 1.00 1.00 C ATOM 322 C GLU P 20 -10.007 -4.801 21.995 1.00 1.00 C ATOM 323 O GLU P 20 -9.244 -4.221 21.223 1.00 1.00 O ATOM 324 CB GLU P 20 -8.641 -6.865 21.660 1.00 1.00 C ATOM 325 CG GLU P 20 -7.534 -6.314 22.571 1.00 1.00 C ATOM 326 CD GLU P 20 -6.185 -6.879 22.152 1.00 1.00 C ATOM 327 OE1 GLU P 20 -6.172 -7.826 21.383 1.00 1.00 O ATOM 328 OE2 GLU P 20 -5.181 -6.356 22.608 1.00 1.00 O ATOM 0 H GLU P 20 -10.900 -7.936 21.095 1.00 1.00 H new ATOM 0 HA GLU P 20 -10.204 -6.579 23.143 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -8.643 -7.954 21.696 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -8.446 -6.581 20.626 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -7.515 -5.226 22.516 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -7.741 -6.577 23.608 1.00 1.00 H new ATOM 335 N MET P 21 -10.869 -4.157 22.783 1.00 1.00 N ATOM 336 CA MET P 21 -10.978 -2.698 22.794 1.00 1.00 C ATOM 337 C MET P 21 -11.077 -2.160 24.230 1.00 1.00 C ATOM 338 O MET P 21 -11.809 -1.207 24.488 1.00 1.00 O ATOM 339 CB MET P 21 -12.225 -2.294 22.004 1.00 1.00 C ATOM 340 CG MET P 21 -13.516 -2.881 22.647 1.00 1.00 C ATOM 341 SD MET P 21 -14.328 -1.622 23.670 1.00 1.00 S ATOM 342 CE MET P 21 -15.816 -2.570 24.072 1.00 1.00 C ATOM 0 H MET P 21 -11.506 -4.627 23.426 1.00 1.00 H new ATOM 0 HA MET P 21 -10.084 -2.272 22.338 1.00 1.00 H new ATOM 0 HB2 MET P 21 -12.297 -1.207 21.965 1.00 1.00 H new ATOM 0 HB3 MET P 21 -12.136 -2.645 20.976 1.00 1.00 H new ATOM 0 HG2 MET P 21 -14.197 -3.223 21.868 1.00 1.00 H new ATOM 0 HG3 MET P 21 -13.266 -3.750 23.256 1.00 1.00 H new ATOM 0 HE1 MET P 21 -16.468 -1.971 24.707 1.00 1.00 H new ATOM 0 HE2 MET P 21 -16.342 -2.829 23.153 1.00 1.00 H new ATOM 0 HE3 MET P 21 -15.535 -3.482 24.598 1.00 1.00 H new ATOM 352 N PRO P 22 -10.368 -2.744 25.169 1.00 1.00 N ATOM 353 CA PRO P 22 -10.404 -2.294 26.601 1.00 1.00 C ATOM 354 C PRO P 22 -9.887 -0.862 26.794 1.00 1.00 C ATOM 355 O PRO P 22 -10.491 -0.075 27.524 1.00 1.00 O ATOM 356 CB PRO P 22 -9.512 -3.324 27.330 1.00 1.00 C ATOM 357 CG PRO P 22 -8.605 -3.849 26.262 1.00 1.00 C ATOM 358 CD PRO P 22 -9.451 -3.886 24.996 1.00 1.00 C ATOM 0 HA PRO P 22 -11.422 -2.258 26.988 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -8.947 -2.860 28.139 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -10.107 -4.122 27.774 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -7.735 -3.205 26.134 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -8.233 -4.842 26.515 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -8.840 -3.779 24.100 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -9.993 -4.827 24.902 1.00 1.00 H new ATOM 366 N GLN P 23 -8.772 -0.533 26.148 1.00 1.00 N ATOM 367 CA GLN P 23 -8.195 0.799 26.272 1.00 1.00 C ATOM 368 C GLN P 23 -7.264 1.071 25.102 1.00 1.00 C ATOM 369 O GLN P 23 -7.281 2.153 24.519 1.00 1.00 O ATOM 370 CB GLN P 23 -7.381 0.923 27.567 1.00 1.00 C ATOM 371 CG GLN P 23 -8.283 0.827 28.803 1.00 1.00 C ATOM 372 CD GLN P 23 -7.500 1.254 30.040 1.00 1.00 C ATOM 373 OE1 GLN P 23 -6.527 0.598 30.416 1.00 1.00 O ATOM 374 NE2 GLN P 23 -7.867 2.319 30.699 1.00 1.00 N ATOM 0 H GLN P 23 -8.254 -1.166 25.538 1.00 1.00 H new ATOM 0 HA GLN P 23 -9.015 1.517 26.284 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -6.627 0.136 27.602 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -6.849 1.874 27.575 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -9.159 1.463 28.677 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -8.645 -0.194 28.923 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -8.673 2.860 30.386 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -7.348 2.610 31.527 1.00 1.00 H new ATOM 383 N GLN P 24 -6.450 0.070 24.766 1.00 1.00 N ATOM 384 CA GLN P 24 -5.517 0.202 23.670 1.00 1.00 C ATOM 385 C GLN P 24 -6.266 0.167 22.356 1.00 1.00 C ATOM 386 O GLN P 24 -5.669 0.034 21.300 1.00 1.00 O ATOM 387 CB GLN P 24 -4.479 -0.919 23.713 1.00 1.00 C ATOM 388 CG GLN P 24 -3.604 -0.742 24.951 1.00 1.00 C ATOM 389 CD GLN P 24 -2.639 -1.916 25.094 1.00 1.00 C ATOM 390 OE1 GLN P 24 -3.071 -3.064 25.193 1.00 1.00 O ATOM 391 NE2 GLN P 24 -1.352 -1.695 25.111 1.00 1.00 N ATOM 0 H GLN P 24 -6.425 -0.833 25.240 1.00 1.00 H new ATOM 0 HA GLN P 24 -4.998 1.156 23.762 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -4.974 -1.890 23.738 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -3.865 -0.898 22.813 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.044 0.190 24.878 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.231 -0.668 25.840 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -0.997 -0.742 25.029 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -0.702 -2.475 25.207 1.00 1.00 H new ATOM 400 N ALA P 25 -7.588 0.293 22.432 1.00 1.00 N ATOM 401 CA ALA P 25 -8.419 0.282 21.238 1.00 1.00 C ATOM 402 C ALA P 25 -8.004 1.434 20.338 1.00 1.00 C ATOM 403 O ALA P 25 -8.041 1.341 19.113 1.00 1.00 O ATOM 404 CB ALA P 25 -9.905 0.430 21.640 1.00 1.00 C ATOM 0 H ALA P 25 -8.103 0.403 23.306 1.00 1.00 H new ATOM 0 HA ALA P 25 -8.292 -0.660 20.704 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -10.527 0.422 20.745 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -10.191 -0.399 22.288 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -10.046 1.371 22.171 1.00 1.00 H new ATOM 410 N ARG P 26 -7.617 2.522 20.976 1.00 1.00 N ATOM 411 CA ARG P 26 -7.198 3.716 20.247 1.00 1.00 C ATOM 412 C ARG P 26 -5.990 3.440 19.348 1.00 1.00 C ATOM 413 O ARG P 26 -6.027 3.716 18.146 1.00 1.00 O ATOM 414 CB ARG P 26 -6.858 4.824 21.245 1.00 1.00 C ATOM 415 CG ARG P 26 -8.146 5.318 21.909 1.00 1.00 C ATOM 416 CD ARG P 26 -7.817 6.362 22.977 1.00 1.00 C ATOM 417 NE ARG P 26 -7.093 5.750 24.089 1.00 1.00 N ATOM 418 CZ ARG P 26 -7.740 5.091 25.048 1.00 1.00 C ATOM 419 NH1 ARG P 26 -9.038 4.981 24.999 1.00 1.00 N ATOM 420 NH2 ARG P 26 -7.080 4.554 26.040 1.00 1.00 N ATOM 0 H ARG P 26 -7.582 2.609 21.992 1.00 1.00 H new ATOM 0 HA ARG P 26 -8.022 4.027 19.605 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -6.166 4.450 22.000 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -6.359 5.648 20.735 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -8.809 5.749 21.159 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -8.677 4.480 22.360 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -7.216 7.160 22.540 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -8.737 6.819 23.342 1.00 1.00 H new ATOM 0 HE ARG P 26 -6.077 5.829 24.131 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -9.556 5.399 24.227 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -9.535 4.476 25.733 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -6.064 4.639 26.082 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -7.581 4.050 26.772 1.00 1.00 H new ATOM 434 N GLN P 27 -4.916 2.892 19.919 1.00 1.00 N ATOM 435 CA GLN P 27 -3.716 2.594 19.132 1.00 1.00 C ATOM 436 C GLN P 27 -3.804 1.223 18.468 1.00 1.00 C ATOM 437 O GLN P 27 -3.250 1.017 17.390 1.00 1.00 O ATOM 438 CB GLN P 27 -2.478 2.642 20.030 1.00 1.00 C ATOM 439 CG GLN P 27 -2.226 4.081 20.482 1.00 1.00 C ATOM 440 CD GLN P 27 -1.023 4.122 21.417 1.00 1.00 C ATOM 441 OE1 GLN P 27 -0.910 3.291 22.316 1.00 1.00 O ATOM 442 NE2 GLN P 27 -0.112 5.045 21.257 1.00 1.00 N ATOM 0 H GLN P 27 -4.851 2.648 20.907 1.00 1.00 H new ATOM 0 HA GLN P 27 -3.639 3.349 18.349 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -2.621 1.998 20.897 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -1.610 2.263 19.490 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -2.048 4.719 19.616 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -3.107 4.473 20.990 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -0.209 5.733 20.510 1.00 1.00 H new ATOM 0 HE22 GLN P 27 0.696 5.077 21.879 1.00 1.00 H new ATOM 451 N ASN P 28 -4.501 0.290 19.106 1.00 1.00 N ATOM 452 CA ASN P 28 -4.636 -1.044 18.541 1.00 2.16 C ATOM 453 C ASN P 28 -5.374 -0.985 17.215 1.00 1.00 C ATOM 454 O ASN P 28 -4.955 -1.590 16.222 1.00 1.00 O ATOM 455 CB ASN P 28 -5.389 -1.956 19.516 1.00 1.00 C ATOM 456 CG ASN P 28 -5.521 -3.358 18.931 1.00 1.00 C ATOM 457 OD1 ASN P 28 -5.291 -3.559 17.739 1.00 1.00 O ATOM 458 ND2 ASN P 28 -5.882 -4.345 19.705 1.00 1.00 N ATOM 0 H ASN P 28 -4.973 0.430 19.999 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.639 -1.451 18.370 1.00 2.16 H new ATOM 0 HB2 ASN P 28 -4.859 -2.000 20.468 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -6.378 -1.545 19.720 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -5.974 -5.286 19.322 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -6.072 -4.175 20.693 1.00 1.00 H new ATOM 465 N LEU P 29 -6.469 -0.247 17.203 1.00 1.00 N ATOM 466 CA LEU P 29 -7.268 -0.102 15.999 1.00 2.31 C ATOM 467 C LEU P 29 -6.497 0.692 14.967 1.00 1.00 C ATOM 468 O LEU P 29 -6.510 0.363 13.778 1.00 1.00 O ATOM 469 CB LEU P 29 -8.590 0.608 16.302 1.00 1.00 C ATOM 470 CG LEU P 29 -9.485 -0.268 17.194 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.690 0.562 17.660 1.00 1.00 C ATOM 472 CD2 LEU P 29 -9.981 -1.515 16.416 1.00 1.00 C ATOM 0 H LEU P 29 -6.826 0.261 18.012 1.00 1.00 H new ATOM 0 HA LEU P 29 -7.488 -1.097 15.613 1.00 2.31 H new ATOM 0 HB2 LEU P 29 -8.393 1.558 16.798 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -9.108 0.836 15.370 1.00 1.00 H new ATOM 0 HG LEU P 29 -8.908 -0.607 18.054 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -11.331 -0.051 18.294 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.340 1.426 18.225 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -11.255 0.901 16.792 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -10.613 -2.121 17.065 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -10.555 -1.196 15.546 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -9.124 -2.105 16.089 1.00 1.00 H new ATOM 484 N GLN P 30 -5.816 1.747 15.413 1.00 1.00 N ATOM 485 CA GLN P 30 -5.047 2.568 14.497 1.00 2.90 C ATOM 486 C GLN P 30 -3.794 1.846 14.030 1.00 1.00 C ATOM 487 O GLN P 30 -3.331 2.065 12.915 1.00 1.00 O ATOM 488 CB GLN P 30 -4.666 3.888 15.163 1.00 1.00 C ATOM 489 CG GLN P 30 -5.921 4.736 15.357 1.00 1.00 C ATOM 490 CD GLN P 30 -5.581 6.001 16.132 1.00 1.00 C ATOM 491 OE1 GLN P 30 -4.414 6.263 16.413 1.00 1.00 O ATOM 492 NE2 GLN P 30 -6.532 6.808 16.498 1.00 1.00 N ATOM 0 H GLN P 30 -5.784 2.045 16.388 1.00 1.00 H new ATOM 0 HA GLN P 30 -5.670 2.770 13.626 1.00 2.90 H new ATOM 0 HB2 GLN P 30 -4.189 3.699 16.125 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -3.943 4.424 14.548 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -6.347 4.997 14.388 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -6.677 4.163 15.894 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -7.501 6.592 16.266 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -6.309 7.657 17.017 1.00 1.00 H new ATOM 501 N ASN P 31 -3.242 0.992 14.880 1.00 1.00 N ATOM 502 CA ASN P 31 -2.032 0.258 14.516 1.00 2.35 C ATOM 503 C ASN P 31 -2.297 -0.618 13.303 1.00 1.00 C ATOM 504 O ASN P 31 -1.486 -0.691 12.385 1.00 1.00 O ATOM 505 CB ASN P 31 -1.556 -0.609 15.699 1.00 1.00 C ATOM 506 CG ASN P 31 -0.837 0.257 16.732 1.00 1.00 C ATOM 507 OD1 ASN P 31 -1.059 0.102 17.934 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.014 1.160 16.333 1.00 1.00 N ATOM 0 H ASN P 31 -3.603 0.790 15.812 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.250 0.976 14.270 1.00 2.35 H new ATOM 0 HB2 ASN P 31 -2.409 -1.106 16.161 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.887 -1.391 15.340 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.499 1.741 17.017 1.00 1.00 H new ATOM 0 HD22 ASN P 31 0.195 1.285 15.337 1.00 1.00 H new ATOM 515 N LEU P 32 -3.441 -1.274 13.307 1.00 1.00 N ATOM 516 CA LEU P 32 -3.806 -2.135 12.204 1.00 2.27 C ATOM 517 C LEU P 32 -3.948 -1.287 10.962 1.00 1.00 C ATOM 518 O LEU P 32 -3.466 -1.647 9.900 1.00 1.00 O ATOM 519 CB LEU P 32 -5.133 -2.852 12.492 1.00 1.00 C ATOM 520 CG LEU P 32 -4.975 -3.825 13.673 1.00 1.00 C ATOM 521 CD1 LEU P 32 -6.360 -4.301 14.128 1.00 1.00 C ATOM 522 CD2 LEU P 32 -4.129 -5.054 13.263 1.00 1.00 C ATOM 0 H LEU P 32 -4.129 -1.227 14.058 1.00 1.00 H new ATOM 0 HA LEU P 32 -3.033 -2.891 12.064 1.00 2.27 H new ATOM 0 HB2 LEU P 32 -5.907 -2.119 12.718 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.459 -3.397 11.606 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.468 -3.304 14.485 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -6.251 -4.991 14.965 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.955 -3.443 14.440 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -6.860 -4.808 13.303 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -4.031 -5.728 14.114 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -4.620 -5.576 12.441 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -3.140 -4.725 12.945 1.00 1.00 H new ATOM 534 N PHE P 33 -4.613 -0.153 11.116 1.00 1.00 N ATOM 535 CA PHE P 33 -4.818 0.760 9.997 1.00 2.57 C ATOM 536 C PHE P 33 -3.475 1.261 9.468 1.00 1.00 C ATOM 537 O PHE P 33 -3.217 1.236 8.265 1.00 1.00 O ATOM 538 CB PHE P 33 -5.669 1.948 10.452 1.00 1.00 C ATOM 539 CG PHE P 33 -5.963 2.842 9.272 1.00 1.00 C ATOM 540 CD1 PHE P 33 -6.923 2.456 8.331 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.277 4.053 9.120 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.199 3.284 7.234 1.00 1.00 C ATOM 543 CE2 PHE P 33 -5.552 4.881 8.025 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.513 4.496 7.081 1.00 1.00 C ATOM 0 H PHE P 33 -5.019 0.158 11.999 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.334 0.228 9.198 1.00 2.57 H new ATOM 0 HB2 PHE P 33 -6.600 1.593 10.893 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.144 2.510 11.225 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.451 1.521 8.449 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -4.536 4.349 9.848 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.940 2.988 6.507 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -5.024 5.816 7.908 1.00 1.00 H new ATOM 0 HZ PHE P 33 -6.725 5.133 6.235 1.00 1.00 H new ATOM 554 N ILE P 34 -2.627 1.720 10.385 1.00 1.00 N ATOM 555 CA ILE P 34 -1.313 2.229 10.007 1.00 2.55 C ATOM 556 C ILE P 34 -0.465 1.108 9.418 1.00 1.00 C ATOM 557 O ILE P 34 0.159 1.273 8.374 1.00 1.00 O ATOM 558 CB ILE P 34 -0.608 2.824 11.230 1.00 1.00 C ATOM 559 CG1 ILE P 34 -1.357 4.083 11.679 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.840 3.196 10.874 1.00 1.00 C ATOM 561 CD1 ILE P 34 -0.885 4.484 13.076 1.00 1.00 C ATOM 0 H ILE P 34 -2.824 1.750 11.385 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.443 3.008 9.256 1.00 2.55 H new ATOM 0 HB ILE P 34 -0.601 2.088 12.034 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -1.178 4.896 10.975 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -2.431 3.898 11.685 1.00 1.00 H new ATOM 0 HG21 ILE P 34 1.333 3.618 11.750 1.00 1.00 H new ATOM 0 HG22 ILE P 34 1.376 2.304 10.551 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.839 3.930 10.069 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -1.417 5.380 13.397 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -1.087 3.672 13.775 1.00 1.00 H new ATOM 0 HD13 ILE P 34 0.186 4.686 13.054 1.00 1.00 H new ATOM 573 N ASN P 35 -0.451 -0.033 10.097 1.00 1.00 N ATOM 574 CA ASN P 35 0.321 -1.170 9.629 1.00 2.51 C ATOM 575 C ASN P 35 -0.269 -1.642 8.321 1.00 1.00 C ATOM 576 O ASN P 35 0.444 -1.991 7.382 1.00 1.00 O ATOM 577 CB ASN P 35 0.289 -2.304 10.659 1.00 1.00 C ATOM 578 CG ASN P 35 1.194 -1.967 11.834 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.054 -1.094 11.727 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.054 -2.612 12.959 1.00 1.00 N ATOM 0 H ASN P 35 -0.962 -0.192 10.966 1.00 1.00 H new ATOM 0 HA ASN P 35 1.360 -0.873 9.487 1.00 2.51 H new ATOM 0 HB2 ASN P 35 -0.732 -2.460 11.009 1.00 1.00 H new ATOM 0 HB3 ASN P 35 0.613 -3.236 10.196 1.00 1.00 H new ATOM 0 HD21 ASN P 35 1.658 -2.393 13.751 1.00 1.00 H new ATOM 0 HD22 ASN P 35 0.341 -3.336 13.047 1.00 1.00 H new ATOM 587 N PHE P 36 -1.591 -1.646 8.281 1.00 1.00 N ATOM 588 CA PHE P 36 -2.302 -2.076 7.084 1.00 2.41 C ATOM 589 C PHE P 36 -2.050 -1.127 5.918 1.00 1.00 C ATOM 590 O PHE P 36 -2.072 -1.542 4.754 1.00 1.00 O ATOM 591 CB PHE P 36 -3.817 -2.182 7.338 1.00 1.00 C ATOM 592 CG PHE P 36 -4.541 -2.515 6.051 1.00 1.00 C ATOM 593 CD1 PHE P 36 -4.513 -3.821 5.550 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.237 -1.515 5.362 1.00 1.00 C ATOM 595 CE1 PHE P 36 -5.182 -4.128 4.361 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.904 -1.821 4.173 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.878 -3.126 3.671 1.00 1.00 C ATOM 0 H PHE P 36 -2.191 -1.360 9.055 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.918 -3.063 6.826 1.00 2.41 H new ATOM 0 HB2 PHE P 36 -4.015 -2.951 8.085 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.192 -1.242 7.742 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.975 -4.592 6.081 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.258 -0.507 5.749 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -5.162 -5.136 3.975 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.440 -1.049 3.641 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.394 -3.362 2.752 1.00 1.00 H new ATOM 607 N ALA P 37 -1.802 0.144 6.212 1.00 1.00 N ATOM 608 CA ALA P 37 -1.542 1.115 5.166 1.00 1.86 C ATOM 609 C ALA P 37 -0.112 0.977 4.659 1.00 1.00 C ATOM 610 O ALA P 37 0.162 1.151 3.475 1.00 1.00 O ATOM 611 CB ALA P 37 -1.760 2.532 5.704 1.00 1.00 C ATOM 0 H ALA P 37 -1.776 0.520 7.160 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.230 0.930 4.341 1.00 1.86 H new ATOM 0 HB1 ALA P 37 -1.563 3.256 4.913 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.790 2.638 6.044 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.082 2.713 6.538 1.00 1.00 H new ATOM 617 N LEU P 38 0.802 0.672 5.578 1.00 1.00 N ATOM 618 CA LEU P 38 2.212 0.522 5.230 1.00 2.15 C ATOM 619 C LEU P 38 2.438 -0.626 4.247 1.00 1.00 C ATOM 620 O LEU P 38 3.203 -0.486 3.294 1.00 1.00 O ATOM 621 CB LEU P 38 3.041 0.292 6.504 1.00 1.00 C ATOM 622 CG LEU P 38 3.209 1.605 7.291 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.719 1.275 8.703 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.217 2.548 6.583 1.00 1.00 C ATOM 0 H LEU P 38 0.592 0.525 6.565 1.00 1.00 H new ATOM 0 HA LEU P 38 2.533 1.442 4.741 1.00 2.15 H new ATOM 0 HB2 LEU P 38 2.553 -0.454 7.132 1.00 1.00 H new ATOM 0 HB3 LEU P 38 4.020 -0.106 6.239 1.00 1.00 H new ATOM 0 HG LEU P 38 2.246 2.112 7.345 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.842 2.198 9.270 1.00 1.00 H new ATOM 0 HD12 LEU P 38 2.999 0.631 9.209 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.678 0.762 8.633 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.319 3.469 7.157 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.187 2.056 6.511 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.854 2.783 5.582 1.00 1.00 H new ATOM 636 N ILE P 39 1.785 -1.756 4.460 1.00 1.00 N ATOM 637 CA ILE P 39 1.968 -2.870 3.546 1.00 3.00 C ATOM 638 C ILE P 39 1.352 -2.510 2.204 1.00 1.00 C ATOM 639 O ILE P 39 1.917 -2.810 1.154 1.00 1.00 O ATOM 640 CB ILE P 39 1.348 -4.155 4.112 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.664 -5.332 3.182 1.00 1.00 C ATOM 642 CG2 ILE P 39 -0.163 -4.000 4.251 1.00 1.00 C ATOM 643 CD1 ILE P 39 1.264 -6.642 3.867 1.00 1.00 C ATOM 0 H ILE P 39 1.142 -1.925 5.234 1.00 1.00 H new ATOM 0 HA ILE P 39 3.033 -3.060 3.415 1.00 3.00 H new ATOM 0 HB ILE P 39 1.772 -4.346 5.098 1.00 1.00 H new ATOM 0 HG12 ILE P 39 1.125 -5.221 2.241 1.00 1.00 H new ATOM 0 HG13 ILE P 39 2.727 -5.344 2.941 1.00 1.00 H new ATOM 0 HG21 ILE P 39 -0.588 -4.920 4.654 1.00 1.00 H new ATOM 0 HG22 ILE P 39 -0.383 -3.173 4.926 1.00 1.00 H new ATOM 0 HG23 ILE P 39 -0.599 -3.797 3.273 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.488 -7.481 3.208 1.00 1.00 H new ATOM 0 HD12 ILE P 39 1.823 -6.752 4.796 1.00 1.00 H new ATOM 0 HD13 ILE P 39 0.196 -6.627 4.085 1.00 1.00 H new ATOM 655 N LEU P 40 0.191 -1.858 2.246 1.00 1.00 N ATOM 656 CA LEU P 40 -0.481 -1.458 1.018 1.00 2.58 C ATOM 657 C LEU P 40 0.353 -0.410 0.266 1.00 1.00 C ATOM 658 O LEU P 40 0.611 -0.546 -0.926 1.00 1.00 O ATOM 659 CB LEU P 40 -1.868 -0.884 1.353 1.00 1.00 C ATOM 660 CG LEU P 40 -2.595 -0.409 0.082 1.00 1.00 C ATOM 661 CD1 LEU P 40 -2.738 -1.570 -0.919 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.987 0.113 0.474 1.00 1.00 C ATOM 0 H LEU P 40 -0.295 -1.600 3.105 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.596 -2.333 0.378 1.00 2.58 H new ATOM 0 HB2 LEU P 40 -2.467 -1.643 1.856 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -1.762 -0.051 2.047 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.017 0.385 -0.391 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -3.254 -1.219 -1.812 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -1.749 -1.939 -1.192 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -3.312 -2.376 -0.462 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -4.513 0.453 -0.418 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -4.556 -0.687 0.947 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -3.881 0.944 1.171 1.00 1.00 H new ATOM 674 N ILE P 41 0.752 0.644 0.979 1.00 1.00 N ATOM 675 CA ILE P 41 1.538 1.710 0.352 1.00 1.90 C ATOM 676 C ILE P 41 2.891 1.198 -0.168 1.00 1.00 C ATOM 677 O ILE P 41 3.290 1.526 -1.279 1.00 1.00 O ATOM 678 CB ILE P 41 1.717 2.917 1.325 1.00 1.00 C ATOM 679 CG1 ILE P 41 1.844 4.236 0.533 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.970 2.746 2.201 1.00 1.00 C ATOM 681 CD1 ILE P 41 1.853 5.420 1.503 1.00 1.00 C ATOM 0 H ILE P 41 0.550 0.783 1.969 1.00 1.00 H new ATOM 0 HA ILE P 41 0.980 2.060 -0.516 1.00 1.90 H new ATOM 0 HB ILE P 41 0.835 2.951 1.965 1.00 1.00 H new ATOM 0 HG12 ILE P 41 2.760 4.230 -0.058 1.00 1.00 H new ATOM 0 HG13 ILE P 41 1.014 4.333 -0.167 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.067 3.603 2.868 1.00 1.00 H new ATOM 0 HG22 ILE P 41 2.879 1.835 2.792 1.00 1.00 H new ATOM 0 HG23 ILE P 41 3.852 2.680 1.565 1.00 1.00 H new ATOM 0 HD11 ILE P 41 1.943 6.350 0.941 1.00 1.00 H new ATOM 0 HD12 ILE P 41 0.925 5.429 2.074 1.00 1.00 H new ATOM 0 HD13 ILE P 41 2.698 5.325 2.185 1.00 1.00 H new ATOM 693 N PHE P 42 3.594 0.401 0.626 1.00 1.00 N ATOM 694 CA PHE P 42 4.893 -0.122 0.204 1.00 2.35 C ATOM 695 C PHE P 42 4.775 -0.901 -1.108 1.00 1.00 C ATOM 696 O PHE P 42 5.576 -0.715 -2.030 1.00 1.00 O ATOM 697 CB PHE P 42 5.458 -1.027 1.304 1.00 1.00 C ATOM 698 CG PHE P 42 6.832 -1.519 0.909 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.915 -0.634 0.914 1.00 1.00 C ATOM 700 CD2 PHE P 42 7.023 -2.858 0.539 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.190 -1.087 0.550 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.295 -3.309 0.176 1.00 1.00 C ATOM 703 CZ PHE P 42 9.378 -2.424 0.182 1.00 1.00 C ATOM 0 H PHE P 42 3.294 0.104 1.555 1.00 1.00 H new ATOM 0 HA PHE P 42 5.568 0.717 0.035 1.00 2.35 H new ATOM 0 HB2 PHE P 42 5.515 -0.479 2.245 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.792 -1.874 1.468 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.769 0.398 1.198 1.00 1.00 H new ATOM 0 HD2 PHE P 42 6.187 -3.541 0.535 1.00 1.00 H new ATOM 0 HE1 PHE P 42 10.027 -0.405 0.553 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.442 -4.340 -0.109 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.361 -2.773 -0.098 1.00 1.00 H new ATOM 713 N LEU P 43 3.778 -1.773 -1.179 1.00 1.00 N ATOM 714 CA LEU P 43 3.553 -2.584 -2.372 1.00 2.51 C ATOM 715 C LEU P 43 3.234 -1.707 -3.578 1.00 1.00 C ATOM 716 O LEU P 43 3.693 -1.977 -4.690 1.00 1.00 O ATOM 717 CB LEU P 43 2.402 -3.561 -2.129 1.00 1.00 C ATOM 718 CG LEU P 43 2.820 -4.646 -1.126 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.576 -5.444 -0.714 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.876 -5.597 -1.752 1.00 1.00 C ATOM 0 H LEU P 43 3.111 -1.938 -0.425 1.00 1.00 H new ATOM 0 HA LEU P 43 4.467 -3.140 -2.581 1.00 2.51 H new ATOM 0 HB2 LEU P 43 1.534 -3.022 -1.750 1.00 1.00 H new ATOM 0 HB3 LEU P 43 2.104 -4.023 -3.070 1.00 1.00 H new ATOM 0 HG LEU P 43 3.267 -4.173 -0.252 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.860 -6.218 -0.001 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.851 -4.774 -0.252 1.00 1.00 H new ATOM 0 HD13 LEU P 43 1.132 -5.907 -1.595 1.00 1.00 H new ATOM 0 HD21 LEU P 43 4.158 -6.358 -1.024 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.455 -6.078 -2.635 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.758 -5.024 -2.037 1.00 1.00 H new ATOM 732 N LEU P 44 2.455 -0.658 -3.353 1.00 1.00 N ATOM 733 CA LEU P 44 2.091 0.252 -4.432 1.00 2.21 C ATOM 734 C LEU P 44 3.326 1.001 -4.931 1.00 1.00 C ATOM 735 O LEU P 44 3.462 1.252 -6.127 1.00 1.00 O ATOM 736 CB LEU P 44 1.020 1.248 -3.968 1.00 1.00 C ATOM 737 CG LEU P 44 -0.322 0.534 -3.729 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.259 1.485 -2.979 1.00 1.00 C ATOM 739 CD2 LEU P 44 -0.976 0.120 -5.071 1.00 1.00 C ATOM 0 H LEU P 44 2.065 -0.417 -2.442 1.00 1.00 H new ATOM 0 HA LEU P 44 1.679 -0.337 -5.251 1.00 2.21 H new ATOM 0 HB2 LEU P 44 1.345 1.738 -3.050 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.893 2.029 -4.718 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.144 -0.367 -3.143 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.214 0.991 -2.803 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -0.811 1.759 -2.024 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.419 2.383 -3.575 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -1.923 -0.383 -4.874 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.155 1.008 -5.677 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.310 -0.557 -5.607 1.00 1.00 H new ATOM 751 N LEU P 45 4.228 1.361 -4.014 1.00 1.00 N ATOM 752 CA LEU P 45 5.441 2.085 -4.405 1.00 2.38 C ATOM 753 C LEU P 45 6.292 1.245 -5.348 1.00 1.00 C ATOM 754 O LEU P 45 6.846 1.762 -6.314 1.00 1.00 O ATOM 755 CB LEU P 45 6.271 2.485 -3.174 1.00 1.00 C ATOM 756 CG LEU P 45 5.560 3.593 -2.375 1.00 1.00 C ATOM 757 CD1 LEU P 45 6.291 3.795 -1.040 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.553 4.926 -3.168 1.00 1.00 C ATOM 0 H LEU P 45 4.146 1.168 -3.016 1.00 1.00 H new ATOM 0 HA LEU P 45 5.128 2.992 -4.922 1.00 2.38 H new ATOM 0 HB2 LEU P 45 6.429 1.615 -2.537 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.255 2.832 -3.490 1.00 1.00 H new ATOM 0 HG LEU P 45 4.527 3.293 -2.197 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.794 4.578 -0.468 1.00 1.00 H new ATOM 0 HD12 LEU P 45 6.275 2.865 -0.472 1.00 1.00 H new ATOM 0 HD13 LEU P 45 7.324 4.086 -1.231 1.00 1.00 H new ATOM 0 HD21 LEU P 45 5.046 5.694 -2.584 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.579 5.238 -3.364 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.030 4.784 -4.114 1.00 1.00 H new ATOM 770 N ILE P 46 6.391 -0.046 -5.074 1.00 1.00 N ATOM 771 CA ILE P 46 7.176 -0.930 -5.919 1.00 2.09 C ATOM 772 C ILE P 46 6.576 -0.941 -7.325 1.00 1.00 C ATOM 773 O ILE P 46 7.286 -0.877 -8.327 1.00 1.00 O ATOM 774 CB ILE P 46 7.160 -2.339 -5.319 1.00 1.00 C ATOM 775 CG1 ILE P 46 7.955 -2.348 -4.009 1.00 1.00 C ATOM 776 CG2 ILE P 46 7.789 -3.325 -6.296 1.00 1.00 C ATOM 777 CD1 ILE P 46 7.701 -3.659 -3.262 1.00 1.00 C ATOM 0 H ILE P 46 5.942 -0.502 -4.280 1.00 1.00 H new ATOM 0 HA ILE P 46 8.207 -0.581 -5.978 1.00 2.09 H new ATOM 0 HB ILE P 46 6.128 -2.632 -5.124 1.00 1.00 H new ATOM 0 HG12 ILE P 46 9.019 -2.237 -4.217 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.662 -1.501 -3.388 1.00 1.00 H new ATOM 0 HG21 ILE P 46 7.775 -4.325 -5.863 1.00 1.00 H new ATOM 0 HG22 ILE P 46 7.224 -3.325 -7.228 1.00 1.00 H new ATOM 0 HG23 ILE P 46 8.819 -3.031 -6.497 1.00 1.00 H new ATOM 0 HD11 ILE P 46 8.268 -3.663 -2.331 1.00 1.00 H new ATOM 0 HD12 ILE P 46 6.638 -3.751 -3.040 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.017 -4.498 -3.882 1.00 1.00 H new ATOM 789 N ALA P 47 5.256 -1.018 -7.368 1.00 1.00 N ATOM 790 CA ALA P 47 4.541 -1.033 -8.635 1.00 2.07 C ATOM 791 C ALA P 47 4.933 0.190 -9.460 1.00 1.00 C ATOM 792 O ALA P 47 5.208 0.086 -10.652 1.00 1.00 O ATOM 793 CB ALA P 47 3.031 -1.020 -8.389 1.00 1.00 C ATOM 0 H ALA P 47 4.659 -1.071 -6.543 1.00 1.00 H new ATOM 0 HA ALA P 47 4.805 -1.940 -9.178 1.00 2.07 H new ATOM 0 HB1 ALA P 47 2.507 -1.031 -9.344 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.749 -1.899 -7.810 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.760 -0.120 -7.837 1.00 1.00 H new ATOM 799 N ILE P 48 4.947 1.348 -8.809 1.00 1.00 N ATOM 800 CA ILE P 48 5.299 2.597 -9.479 1.00 3.10 C ATOM 801 C ILE P 48 6.738 2.561 -9.996 1.00 1.00 C ATOM 802 O ILE P 48 7.007 2.982 -11.114 1.00 1.00 O ATOM 803 CB ILE P 48 5.138 3.770 -8.499 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.649 3.949 -8.130 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.686 5.069 -9.102 1.00 1.00 C ATOM 806 CD1 ILE P 48 2.773 4.250 -9.362 1.00 1.00 C ATOM 0 H ILE P 48 4.719 1.449 -7.820 1.00 1.00 H new ATOM 0 HA ILE P 48 4.631 2.727 -10.330 1.00 3.10 H new ATOM 0 HB ILE P 48 5.709 3.543 -7.599 1.00 1.00 H new ATOM 0 HG12 ILE P 48 3.287 3.044 -7.642 1.00 1.00 H new ATOM 0 HG13 ILE P 48 3.551 4.761 -7.410 1.00 1.00 H new ATOM 0 HG21 ILE P 48 5.560 5.883 -8.388 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.745 4.946 -9.329 1.00 1.00 H new ATOM 0 HG23 ILE P 48 5.143 5.302 -10.018 1.00 1.00 H new ATOM 0 HD11 ILE P 48 1.735 4.367 -9.051 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.116 5.170 -9.836 1.00 1.00 H new ATOM 0 HD13 ILE P 48 2.848 3.426 -10.072 1.00 1.00 H new ATOM 818 N ILE P 49 7.653 2.057 -9.180 1.00 1.00 N ATOM 819 CA ILE P 49 9.054 1.985 -9.581 1.00 1.00 C ATOM 820 C ILE P 49 9.215 1.075 -10.793 1.00 1.00 C ATOM 821 O ILE P 49 9.947 1.390 -11.728 1.00 1.00 O ATOM 822 CB ILE P 49 9.894 1.454 -8.431 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.869 2.463 -7.279 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.345 1.256 -8.895 1.00 1.00 C ATOM 825 CD1 ILE P 49 10.495 1.837 -6.033 1.00 1.00 C ATOM 0 H ILE P 49 7.456 1.695 -8.247 1.00 1.00 H new ATOM 0 HA ILE P 49 9.391 2.987 -9.845 1.00 1.00 H new ATOM 0 HB ILE P 49 9.486 0.499 -8.098 1.00 1.00 H new ATOM 0 HG12 ILE P 49 10.416 3.363 -7.559 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.843 2.765 -7.070 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.943 0.875 -8.067 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.369 0.542 -9.719 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.754 2.210 -9.229 1.00 1.00 H new ATOM 0 HD11 ILE P 49 10.476 2.557 -5.215 1.00 1.00 H new ATOM 0 HD12 ILE P 49 9.930 0.950 -5.748 1.00 1.00 H new ATOM 0 HD13 ILE P 49 11.527 1.557 -6.246 1.00 1.00 H new ATOM 837 N VAL P 50 8.530 -0.050 -10.765 1.00 1.00 N ATOM 838 CA VAL P 50 8.607 -0.998 -11.868 1.00 1.00 C ATOM 839 C VAL P 50 8.126 -0.339 -13.160 1.00 1.00 C ATOM 840 O VAL P 50 8.727 -0.520 -14.218 1.00 1.00 O ATOM 841 CB VAL P 50 7.768 -2.248 -11.555 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.682 -3.144 -12.794 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.437 -3.032 -10.422 1.00 1.00 C ATOM 0 H VAL P 50 7.918 -0.333 -10.000 1.00 1.00 H new ATOM 0 HA VAL P 50 9.645 -1.304 -11.999 1.00 1.00 H new ATOM 0 HB VAL P 50 6.765 -1.940 -11.260 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.086 -4.027 -12.564 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.214 -2.593 -13.610 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.685 -3.451 -13.092 1.00 1.00 H new ATOM 0 HG21 VAL P 50 7.846 -3.920 -10.196 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.439 -3.331 -10.729 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.502 -2.404 -9.534 1.00 1.00 H new ATOM 853 N MET P 51 7.041 0.428 -13.066 1.00 1.00 N ATOM 854 CA MET P 51 6.502 1.104 -14.239 1.00 1.00 C ATOM 855 C MET P 51 7.484 2.157 -14.759 1.00 1.00 C ATOM 856 O MET P 51 7.495 2.450 -15.953 1.00 1.00 O ATOM 857 CB MET P 51 5.134 1.739 -13.931 1.00 1.00 C ATOM 858 CG MET P 51 4.038 0.658 -13.930 1.00 1.00 C ATOM 859 SD MET P 51 2.414 1.439 -13.742 1.00 1.00 S ATOM 860 CE MET P 51 2.597 1.998 -12.031 1.00 1.00 C ATOM 0 H MET P 51 6.526 0.594 -12.202 1.00 1.00 H new ATOM 0 HA MET P 51 6.358 0.357 -15.020 1.00 1.00 H new ATOM 0 HB2 MET P 51 5.165 2.237 -12.962 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.903 2.502 -14.674 1.00 1.00 H new ATOM 0 HG2 MET P 51 4.074 0.089 -14.859 1.00 1.00 H new ATOM 0 HG3 MET P 51 4.210 -0.048 -13.117 1.00 1.00 H new ATOM 0 HE1 MET P 51 1.613 2.099 -11.574 1.00 1.00 H new ATOM 0 HE2 MET P 51 3.184 1.270 -11.471 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.104 2.963 -12.016 1.00 1.00 H new ATOM 870 N LEU P 52 8.313 2.730 -13.882 1.00 1.00 N ATOM 871 CA LEU P 52 9.274 3.746 -14.343 1.00 1.00 C ATOM 872 C LEU P 52 10.238 3.147 -15.367 1.00 1.00 C ATOM 873 O LEU P 52 10.593 3.805 -16.343 1.00 1.00 O ATOM 874 CB LEU P 52 10.043 4.366 -13.140 1.00 1.00 C ATOM 875 CG LEU P 52 9.389 5.687 -12.633 1.00 1.00 C ATOM 876 CD1 LEU P 52 7.840 5.645 -12.692 1.00 1.00 C ATOM 877 CD2 LEU P 52 9.868 5.954 -11.192 1.00 1.00 C ATOM 0 H LEU P 52 8.343 2.521 -12.884 1.00 1.00 H new ATOM 0 HA LEU P 52 8.720 4.548 -14.831 1.00 1.00 H new ATOM 0 HB2 LEU P 52 10.078 3.644 -12.324 1.00 1.00 H new ATOM 0 HB3 LEU P 52 11.074 4.564 -13.434 1.00 1.00 H new ATOM 0 HG LEU P 52 9.699 6.497 -13.293 1.00 1.00 H new ATOM 0 HD11 LEU P 52 7.436 6.590 -12.328 1.00 1.00 H new ATOM 0 HD12 LEU P 52 7.519 5.486 -13.722 1.00 1.00 H new ATOM 0 HD13 LEU P 52 7.474 4.829 -12.068 1.00 1.00 H new ATOM 0 HD21 LEU P 52 9.418 6.876 -10.824 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.572 5.124 -10.550 1.00 1.00 H new ATOM 0 HD23 LEU P 52 10.954 6.051 -11.182 1.00 1.00 H new ATOM 889 N LEU P 53 10.661 1.913 -15.151 1.00 1.00 N ATOM 890 CA LEU P 53 11.583 1.269 -16.077 1.00 1.00 C ATOM 891 C LEU P 53 10.835 0.820 -17.336 1.00 1.00 C ATOM 892 O LEU P 53 10.760 1.603 -18.268 1.00 1.00 O ATOM 893 CB LEU P 53 12.249 0.060 -15.391 1.00 1.00 C ATOM 894 CG LEU P 53 13.419 0.521 -14.514 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.906 1.459 -13.421 1.00 1.00 C ATOM 896 CD2 LEU P 53 14.073 -0.701 -13.872 1.00 1.00 C ATOM 897 OXT LEU P 53 10.351 -0.300 -17.344 1.00 1.00 O ATOM 0 H LEU P 53 10.386 1.341 -14.353 1.00 1.00 H new ATOM 0 HA LEU P 53 12.355 1.981 -16.367 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.516 -0.470 -14.782 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.605 -0.643 -16.144 1.00 1.00 H new ATOM 0 HG LEU P 53 14.148 1.051 -15.127 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.740 1.784 -12.800 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.434 2.328 -13.879 1.00 1.00 H new ATOM 0 HD13 LEU P 53 12.177 0.934 -12.804 1.00 1.00 H new ATOM 0 HD21 LEU P 53 14.906 -0.381 -13.246 1.00 1.00 H new ATOM 0 HD22 LEU P 53 13.340 -1.226 -13.259 1.00 1.00 H new ATOM 0 HD23 LEU P 53 14.440 -1.369 -14.651 1.00 1.00 H new TER 909 LEU P 53