USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot -59:sc= 1.29 USER MOD Set 1.2: A 71 TYR OH : rot 40:sc= 1.23 USER MOD Set 2.1: A 8 MET CE :methyl 143:sc= -1.98! (180deg=-2.49) USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.103 USER MOD Single : A 4 MET CE :methyl -139:sc= -0.0239 (180deg=-1.52!) USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 1.23 (180deg=0.733) USER MOD Single : A 11 THR OG1 : rot -2:sc= 0.809 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc=-0.00403 (180deg=-0.0724) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.199 (180deg=0.0282) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0.882 (180deg=0.0358) USER MOD Single : A 48 ASN : amide:sc= 0.027 K(o=0.027,f=-0.48) USER MOD Single : A 50 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 10.007 20.846 5.846 1.00 0.00 N ATOM 2 CA MET A 4 9.015 20.009 5.136 1.00 0.00 C ATOM 3 C MET A 4 9.717 18.848 4.453 1.00 0.00 C ATOM 4 O MET A 4 10.408 19.030 3.451 1.00 0.00 O ATOM 5 CB MET A 4 8.258 20.850 4.103 1.00 0.00 C ATOM 6 CG MET A 4 7.095 20.119 3.447 1.00 0.00 C ATOM 7 SD MET A 4 6.185 21.161 2.287 1.00 0.00 S ATOM 8 CE MET A 4 4.843 20.061 1.836 1.00 0.00 C ATOM 0 HA MET A 4 8.299 19.616 5.858 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.881 21.751 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.955 21.172 3.329 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.472 19.241 2.922 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.414 19.761 4.219 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.652 20.140 0.766 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.116 19.035 2.082 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.944 20.339 2.386 1.00 0.00 H new ATOM 20 N VAL A 5 9.551 17.660 5.010 1.00 0.00 N ATOM 21 CA VAL A 5 10.211 16.475 4.488 1.00 0.00 C ATOM 22 C VAL A 5 9.384 15.845 3.377 1.00 0.00 C ATOM 23 O VAL A 5 8.306 15.296 3.626 1.00 0.00 O ATOM 24 CB VAL A 5 10.456 15.422 5.593 1.00 0.00 C ATOM 25 CG1 VAL A 5 11.226 14.232 5.042 1.00 0.00 C ATOM 26 CG2 VAL A 5 11.196 16.039 6.769 1.00 0.00 C ATOM 0 H VAL A 5 8.963 17.490 5.826 1.00 0.00 H new ATOM 0 HA VAL A 5 11.175 16.796 4.093 1.00 0.00 H new ATOM 0 HB VAL A 5 9.487 15.069 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.387 13.503 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.655 13.770 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.189 14.568 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.358 15.281 7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.158 16.425 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.603 16.854 7.185 1.00 0.00 H new ATOM 36 N ILE A 6 9.876 15.939 2.153 1.00 0.00 N ATOM 37 CA ILE A 6 9.213 15.313 1.029 1.00 0.00 C ATOM 38 C ILE A 6 9.835 13.946 0.778 1.00 0.00 C ATOM 39 O ILE A 6 11.037 13.831 0.536 1.00 0.00 O ATOM 40 CB ILE A 6 9.298 16.184 -0.244 1.00 0.00 C ATOM 41 CG1 ILE A 6 8.686 17.564 0.016 1.00 0.00 C ATOM 42 CG2 ILE A 6 8.592 15.506 -1.409 1.00 0.00 C ATOM 43 CD1 ILE A 6 7.228 17.516 0.431 1.00 0.00 C ATOM 0 H ILE A 6 10.731 16.442 1.916 1.00 0.00 H new ATOM 0 HA ILE A 6 8.157 15.200 1.272 1.00 0.00 H new ATOM 0 HB ILE A 6 10.349 16.308 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.260 18.065 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.778 18.168 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.664 16.137 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.063 14.544 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.543 15.351 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.864 18.530 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.641 17.044 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.130 16.940 1.351 1.00 0.00 H new ATOM 55 N GLY A 7 9.008 12.920 0.852 1.00 0.00 N ATOM 56 CA GLY A 7 9.487 11.560 0.743 1.00 0.00 C ATOM 57 C GLY A 7 8.887 10.693 1.823 1.00 0.00 C ATOM 58 O GLY A 7 8.349 11.210 2.802 1.00 0.00 O ATOM 0 H GLY A 7 8.001 13.005 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.232 11.157 -0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.574 11.545 0.820 1.00 0.00 H new ATOM 62 N MET A 8 8.963 9.385 1.658 1.00 0.00 N ATOM 63 CA MET A 8 8.345 8.476 2.608 1.00 0.00 C ATOM 64 C MET A 8 8.950 7.080 2.512 1.00 0.00 C ATOM 65 O MET A 8 9.199 6.573 1.417 1.00 0.00 O ATOM 66 CB MET A 8 6.834 8.416 2.360 1.00 0.00 C ATOM 67 CG MET A 8 6.471 7.917 0.973 1.00 0.00 C ATOM 68 SD MET A 8 4.719 8.090 0.606 1.00 0.00 S ATOM 69 CE MET A 8 4.654 7.299 -0.995 1.00 0.00 C ATOM 0 H MET A 8 9.443 8.930 0.881 1.00 0.00 H new ATOM 0 HA MET A 8 8.532 8.853 3.614 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.377 7.764 3.104 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.410 9.410 2.503 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.049 8.468 0.231 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.754 6.868 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.723 6.739 -1.087 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.701 8.057 -1.777 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.499 6.618 -1.099 1.00 0.00 H new ATOM 79 N LYS A 9 9.201 6.477 3.662 1.00 0.00 N ATOM 80 CA LYS A 9 9.685 5.109 3.721 1.00 0.00 C ATOM 81 C LYS A 9 8.572 4.202 4.233 1.00 0.00 C ATOM 82 O LYS A 9 8.070 4.399 5.342 1.00 0.00 O ATOM 83 CB LYS A 9 10.891 5.025 4.652 1.00 0.00 C ATOM 84 CG LYS A 9 11.624 3.697 4.597 1.00 0.00 C ATOM 85 CD LYS A 9 12.935 3.819 3.842 1.00 0.00 C ATOM 86 CE LYS A 9 13.878 4.792 4.531 1.00 0.00 C ATOM 87 NZ LYS A 9 15.181 4.894 3.830 1.00 0.00 N ATOM 0 H LYS A 9 9.076 6.918 4.573 1.00 0.00 H new ATOM 0 HA LYS A 9 9.986 4.788 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.588 5.824 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.560 5.203 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.817 3.344 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.993 2.951 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.408 2.840 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.741 4.156 2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.413 5.777 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.044 4.470 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.907 5.230 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.452 3.959 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.098 5.564 3.039 1.00 0.00 H new ATOM 101 N PHE A 10 8.185 3.227 3.432 1.00 0.00 N ATOM 102 CA PHE A 10 7.086 2.340 3.789 1.00 0.00 C ATOM 103 C PHE A 10 7.389 0.906 3.377 1.00 0.00 C ATOM 104 O PHE A 10 8.340 0.651 2.635 1.00 0.00 O ATOM 105 CB PHE A 10 5.779 2.817 3.136 1.00 0.00 C ATOM 106 CG PHE A 10 5.814 2.841 1.632 1.00 0.00 C ATOM 107 CD1 PHE A 10 6.309 3.943 0.953 1.00 0.00 C ATOM 108 CD2 PHE A 10 5.352 1.759 0.897 1.00 0.00 C ATOM 109 CE1 PHE A 10 6.339 3.968 -0.428 1.00 0.00 C ATOM 110 CE2 PHE A 10 5.380 1.778 -0.483 1.00 0.00 C ATOM 111 CZ PHE A 10 5.878 2.883 -1.146 1.00 0.00 C ATOM 0 H PHE A 10 8.614 3.026 2.528 1.00 0.00 H new ATOM 0 HA PHE A 10 6.967 2.366 4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.966 2.167 3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.549 3.819 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.676 4.792 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.966 0.891 1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.723 4.835 -0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.013 0.931 -1.043 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.907 2.898 -2.226 1.00 0.00 H new ATOM 121 N THR A 11 6.589 -0.028 3.860 1.00 0.00 N ATOM 122 CA THR A 11 6.751 -1.418 3.489 1.00 0.00 C ATOM 123 C THR A 11 5.400 -2.023 3.133 1.00 0.00 C ATOM 124 O THR A 11 4.366 -1.629 3.682 1.00 0.00 O ATOM 125 CB THR A 11 7.428 -2.238 4.618 1.00 0.00 C ATOM 126 OG1 THR A 11 8.125 -3.361 4.062 1.00 0.00 O ATOM 127 CG2 THR A 11 6.415 -2.744 5.634 1.00 0.00 C ATOM 0 H THR A 11 5.823 0.153 4.509 1.00 0.00 H new ATOM 0 HA THR A 11 7.405 -1.458 2.618 1.00 0.00 H new ATOM 0 HB THR A 11 8.126 -1.573 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.989 -3.383 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.929 -3.313 6.408 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.901 -1.897 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.688 -3.385 5.135 1.00 0.00 H new ATOM 135 N VAL A 12 5.412 -2.947 2.190 1.00 0.00 N ATOM 136 CA VAL A 12 4.209 -3.648 1.796 1.00 0.00 C ATOM 137 C VAL A 12 4.363 -5.133 2.093 1.00 0.00 C ATOM 138 O VAL A 12 5.266 -5.790 1.571 1.00 0.00 O ATOM 139 CB VAL A 12 3.900 -3.454 0.293 1.00 0.00 C ATOM 140 CG1 VAL A 12 2.619 -4.175 -0.093 1.00 0.00 C ATOM 141 CG2 VAL A 12 3.806 -1.975 -0.054 1.00 0.00 C ATOM 0 H VAL A 12 6.249 -3.229 1.681 1.00 0.00 H new ATOM 0 HA VAL A 12 3.379 -3.234 2.368 1.00 0.00 H new ATOM 0 HB VAL A 12 4.721 -3.887 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.422 -4.024 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.727 -5.241 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.788 -3.778 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.588 -1.864 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.009 -1.514 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.753 -1.487 0.175 1.00 0.00 H new ATOM 151 N ILE A 13 3.498 -5.653 2.945 1.00 0.00 N ATOM 152 CA ILE A 13 3.525 -7.063 3.280 1.00 0.00 C ATOM 153 C ILE A 13 2.397 -7.784 2.544 1.00 0.00 C ATOM 154 O ILE A 13 1.231 -7.384 2.600 1.00 0.00 O ATOM 155 CB ILE A 13 3.465 -7.286 4.822 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.659 -8.771 5.197 1.00 0.00 C ATOM 157 CG2 ILE A 13 2.172 -6.738 5.410 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.421 -9.638 5.066 1.00 0.00 C ATOM 0 H ILE A 13 2.768 -5.119 3.417 1.00 0.00 H new ATOM 0 HA ILE A 13 4.473 -7.489 2.951 1.00 0.00 H new ATOM 0 HB ILE A 13 4.295 -6.730 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.444 -9.189 4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.014 -8.826 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.161 -6.909 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.107 -5.668 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.321 -7.244 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.662 -10.662 5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.637 -9.254 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.073 -9.622 4.033 1.00 0.00 H new ATOM 170 N THR A 14 2.768 -8.803 1.796 1.00 0.00 N ATOM 171 CA THR A 14 1.821 -9.579 1.016 1.00 0.00 C ATOM 172 C THR A 14 2.288 -11.035 0.980 1.00 0.00 C ATOM 173 O THR A 14 3.381 -11.343 1.457 1.00 0.00 O ATOM 174 CB THR A 14 1.728 -9.011 -0.422 1.00 0.00 C ATOM 175 OG1 THR A 14 1.709 -7.580 -0.377 1.00 0.00 O ATOM 176 CG2 THR A 14 0.479 -9.495 -1.142 1.00 0.00 C ATOM 0 H THR A 14 3.734 -9.118 1.711 1.00 0.00 H new ATOM 0 HA THR A 14 0.833 -9.523 1.472 1.00 0.00 H new ATOM 0 HB THR A 14 2.601 -9.365 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.652 -7.225 -1.289 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.452 -9.074 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.494 -10.583 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.405 -9.176 -0.591 1.00 0.00 H new ATOM 184 N ASP A 15 1.476 -11.928 0.428 1.00 0.00 N ATOM 185 CA ASP A 15 1.884 -13.319 0.237 1.00 0.00 C ATOM 186 C ASP A 15 3.048 -13.390 -0.749 1.00 0.00 C ATOM 187 O ASP A 15 3.823 -14.346 -0.756 1.00 0.00 O ATOM 188 CB ASP A 15 0.711 -14.155 -0.275 1.00 0.00 C ATOM 189 CG ASP A 15 0.208 -13.681 -1.623 1.00 0.00 C ATOM 190 OD1 ASP A 15 -0.450 -12.622 -1.673 1.00 0.00 O ATOM 191 OD2 ASP A 15 0.474 -14.356 -2.636 1.00 0.00 O ATOM 0 H ASP A 15 0.532 -11.717 0.104 1.00 0.00 H new ATOM 0 HA ASP A 15 2.205 -13.723 1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.018 -15.198 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.103 -14.114 0.448 1.00 0.00 H new ATOM 196 N ASP A 16 3.165 -12.351 -1.570 1.00 0.00 N ATOM 197 CA ASP A 16 4.275 -12.219 -2.509 1.00 0.00 C ATOM 198 C ASP A 16 5.571 -11.883 -1.768 1.00 0.00 C ATOM 199 O ASP A 16 6.667 -11.981 -2.321 1.00 0.00 O ATOM 200 CB ASP A 16 3.950 -11.128 -3.538 1.00 0.00 C ATOM 201 CG ASP A 16 5.136 -10.751 -4.408 1.00 0.00 C ATOM 202 OD1 ASP A 16 5.478 -11.527 -5.326 1.00 0.00 O ATOM 203 OD2 ASP A 16 5.733 -9.679 -4.167 1.00 0.00 O ATOM 0 H ASP A 16 2.497 -11.581 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 16 4.416 -13.168 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.135 -11.471 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.594 -10.240 -3.016 1.00 0.00 H new ATOM 208 N GLY A 17 5.440 -11.535 -0.500 1.00 0.00 N ATOM 209 CA GLY A 17 6.595 -11.192 0.297 1.00 0.00 C ATOM 210 C GLY A 17 6.436 -9.850 0.971 1.00 0.00 C ATOM 211 O GLY A 17 5.430 -9.167 0.772 1.00 0.00 O ATOM 0 H GLY A 17 4.549 -11.484 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.756 -11.961 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.482 -11.177 -0.337 1.00 0.00 H new ATOM 215 N LYS A 18 7.416 -9.478 1.774 1.00 0.00 N ATOM 216 CA LYS A 18 7.410 -8.186 2.436 1.00 0.00 C ATOM 217 C LYS A 18 8.461 -7.287 1.800 1.00 0.00 C ATOM 218 O LYS A 18 9.660 -7.461 2.025 1.00 0.00 O ATOM 219 CB LYS A 18 7.675 -8.344 3.936 1.00 0.00 C ATOM 220 CG LYS A 18 7.604 -7.035 4.707 1.00 0.00 C ATOM 221 CD LYS A 18 7.926 -7.234 6.180 1.00 0.00 C ATOM 222 CE LYS A 18 9.337 -7.763 6.380 1.00 0.00 C ATOM 223 NZ LYS A 18 9.665 -7.934 7.820 1.00 0.00 N ATOM 0 H LYS A 18 8.230 -10.055 1.984 1.00 0.00 H new ATOM 0 HA LYS A 18 6.427 -7.730 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.949 -9.042 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.661 -8.787 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.303 -6.319 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.607 -6.607 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.814 -6.287 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.211 -7.930 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.442 -8.719 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.050 -7.076 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.635 -8.296 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.589 -7.017 8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.000 -8.609 8.250 1.00 0.00 H new ATOM 237 N LYS A 19 8.009 -6.350 0.986 1.00 0.00 N ATOM 238 CA LYS A 19 8.914 -5.479 0.251 1.00 0.00 C ATOM 239 C LYS A 19 8.955 -4.095 0.881 1.00 0.00 C ATOM 240 O LYS A 19 7.917 -3.529 1.224 1.00 0.00 O ATOM 241 CB LYS A 19 8.490 -5.368 -1.221 1.00 0.00 C ATOM 242 CG LYS A 19 8.885 -6.562 -2.087 1.00 0.00 C ATOM 243 CD LYS A 19 8.136 -7.833 -1.702 1.00 0.00 C ATOM 244 CE LYS A 19 8.606 -9.032 -2.513 1.00 0.00 C ATOM 245 NZ LYS A 19 8.236 -8.922 -3.949 1.00 0.00 N ATOM 0 H LYS A 19 7.019 -6.171 0.816 1.00 0.00 H new ATOM 0 HA LYS A 19 9.911 -5.918 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.408 -5.245 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.931 -4.466 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.687 -6.330 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.958 -6.734 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.280 -8.033 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.067 -7.686 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.688 -9.125 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.173 -9.942 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.577 -9.761 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.202 -8.859 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.670 -8.069 -4.355 1.00 0.00 H new ATOM 259 N ILE A 20 10.155 -3.562 1.050 1.00 0.00 N ATOM 260 CA ILE A 20 10.323 -2.222 1.587 1.00 0.00 C ATOM 261 C ILE A 20 10.661 -1.255 0.450 1.00 0.00 C ATOM 262 O ILE A 20 11.540 -1.519 -0.372 1.00 0.00 O ATOM 263 CB ILE A 20 11.399 -2.196 2.717 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.353 -0.879 3.521 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.799 -2.438 2.159 1.00 0.00 C ATOM 266 CD1 ILE A 20 11.995 0.315 2.842 1.00 0.00 C ATOM 0 H ILE A 20 11.028 -4.038 0.822 1.00 0.00 H new ATOM 0 HA ILE A 20 9.387 -1.900 2.044 1.00 0.00 H new ATOM 0 HB ILE A 20 11.161 -3.011 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.311 -0.639 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.846 -1.040 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.524 -2.413 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.833 -3.412 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.041 -1.661 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.910 1.189 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.048 0.104 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.489 0.511 1.897 1.00 0.00 H new ATOM 278 N LEU A 21 9.929 -0.154 0.389 1.00 0.00 N ATOM 279 CA LEU A 21 10.105 0.825 -0.674 1.00 0.00 C ATOM 280 C LEU A 21 10.091 2.238 -0.109 1.00 0.00 C ATOM 281 O LEU A 21 9.280 2.560 0.760 1.00 0.00 O ATOM 282 CB LEU A 21 8.995 0.684 -1.723 1.00 0.00 C ATOM 283 CG LEU A 21 8.962 -0.650 -2.474 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.727 -0.730 -3.355 1.00 0.00 C ATOM 285 CD2 LEU A 21 10.220 -0.823 -3.313 1.00 0.00 C ATOM 0 H LEU A 21 9.204 0.085 1.066 1.00 0.00 H new ATOM 0 HA LEU A 21 11.070 0.640 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.033 0.827 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.103 1.488 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 21 8.922 -1.456 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.717 -1.684 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.833 -0.648 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.743 0.085 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.178 -1.777 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.289 -0.012 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.096 -0.805 -2.664 1.00 0.00 H new ATOM 297 N GLU A 22 10.995 3.076 -0.584 1.00 0.00 N ATOM 298 CA GLU A 22 10.982 4.478 -0.213 1.00 0.00 C ATOM 299 C GLU A 22 10.756 5.343 -1.449 1.00 0.00 C ATOM 300 O GLU A 22 11.409 5.171 -2.481 1.00 0.00 O ATOM 301 CB GLU A 22 12.270 4.872 0.522 1.00 0.00 C ATOM 302 CG GLU A 22 13.545 4.664 -0.277 1.00 0.00 C ATOM 303 CD GLU A 22 14.792 4.939 0.538 1.00 0.00 C ATOM 304 OE1 GLU A 22 14.762 5.851 1.389 1.00 0.00 O ATOM 305 OE2 GLU A 22 15.803 4.226 0.349 1.00 0.00 O ATOM 0 H GLU A 22 11.744 2.811 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 22 10.157 4.646 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.203 5.922 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.337 4.295 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.575 3.639 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.534 5.317 -1.150 1.00 0.00 H new ATOM 312 N SER A 23 9.796 6.240 -1.353 1.00 0.00 N ATOM 313 CA SER A 23 9.455 7.110 -2.461 1.00 0.00 C ATOM 314 C SER A 23 9.879 8.538 -2.159 1.00 0.00 C ATOM 315 O SER A 23 9.826 8.978 -1.009 1.00 0.00 O ATOM 316 CB SER A 23 7.953 7.043 -2.731 1.00 0.00 C ATOM 317 OG SER A 23 7.534 5.699 -2.905 1.00 0.00 O ATOM 0 H SER A 23 9.235 6.386 -0.514 1.00 0.00 H new ATOM 0 HA SER A 23 9.986 6.775 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.409 7.494 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.713 7.622 -3.622 1.00 0.00 H new ATOM 0 HG SER A 23 6.569 5.677 -3.075 1.00 0.00 H new ATOM 323 N GLY A 24 10.298 9.256 -3.193 1.00 0.00 N ATOM 324 CA GLY A 24 10.755 10.620 -3.016 1.00 0.00 C ATOM 325 C GLY A 24 9.609 11.598 -2.869 1.00 0.00 C ATOM 326 O GLY A 24 9.814 12.755 -2.512 1.00 0.00 O ATOM 0 H GLY A 24 10.329 8.916 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.392 10.675 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.368 10.909 -3.870 1.00 0.00 H new ATOM 330 N ALA A 25 8.400 11.129 -3.139 1.00 0.00 N ATOM 331 CA ALA A 25 7.215 11.967 -3.040 1.00 0.00 C ATOM 332 C ALA A 25 6.067 11.197 -2.401 1.00 0.00 C ATOM 333 O ALA A 25 5.902 10.004 -2.657 1.00 0.00 O ATOM 334 CB ALA A 25 6.812 12.476 -4.414 1.00 0.00 C ATOM 0 H ALA A 25 8.214 10.169 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 25 7.449 12.823 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.924 13.102 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.627 13.062 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.595 11.630 -5.066 1.00 0.00 H new ATOM 340 N PRO A 26 5.271 11.861 -1.548 1.00 0.00 N ATOM 341 CA PRO A 26 4.096 11.250 -0.917 1.00 0.00 C ATOM 342 C PRO A 26 2.966 11.031 -1.919 1.00 0.00 C ATOM 343 O PRO A 26 2.525 11.966 -2.588 1.00 0.00 O ATOM 344 CB PRO A 26 3.672 12.271 0.151 1.00 0.00 C ATOM 345 CG PRO A 26 4.789 13.262 0.230 1.00 0.00 C ATOM 346 CD PRO A 26 5.449 13.253 -1.117 1.00 0.00 C ATOM 0 HA PRO A 26 4.322 10.266 -0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.736 12.757 -0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.510 11.786 1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.412 14.256 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.497 12.990 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.977 13.954 -1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.502 13.527 -1.055 1.00 0.00 H new ATOM 354 N ARG A 27 2.513 9.791 -2.031 1.00 0.00 N ATOM 355 CA ARG A 27 1.462 9.440 -2.980 1.00 0.00 C ATOM 356 C ARG A 27 0.331 8.719 -2.254 1.00 0.00 C ATOM 357 O ARG A 27 0.431 8.461 -1.060 1.00 0.00 O ATOM 358 CB ARG A 27 2.018 8.536 -4.089 1.00 0.00 C ATOM 359 CG ARG A 27 3.255 9.080 -4.791 1.00 0.00 C ATOM 360 CD ARG A 27 2.997 10.427 -5.444 1.00 0.00 C ATOM 361 NE ARG A 27 1.914 10.377 -6.427 1.00 0.00 N ATOM 362 CZ ARG A 27 1.738 11.288 -7.380 1.00 0.00 C ATOM 363 NH1 ARG A 27 2.614 12.274 -7.525 1.00 0.00 N ATOM 364 NH2 ARG A 27 0.693 11.202 -8.191 1.00 0.00 N ATOM 0 H ARG A 27 2.857 9.008 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 27 1.081 10.356 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.258 7.563 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.237 8.373 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.067 9.177 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.584 8.368 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.751 11.159 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.909 10.771 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 27 1.256 9.599 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.422 12.333 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.479 12.973 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.026 10.438 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.556 11.900 -8.922 1.00 0.00 H new ATOM 378 N ARG A 28 -0.746 8.409 -2.964 1.00 0.00 N ATOM 379 CA ARG A 28 -1.836 7.628 -2.387 1.00 0.00 C ATOM 380 C ARG A 28 -1.659 6.151 -2.700 1.00 0.00 C ATOM 381 O ARG A 28 -0.747 5.769 -3.433 1.00 0.00 O ATOM 382 CB ARG A 28 -3.186 8.100 -2.920 1.00 0.00 C ATOM 383 CG ARG A 28 -3.571 9.498 -2.476 1.00 0.00 C ATOM 384 CD ARG A 28 -4.721 10.030 -3.307 1.00 0.00 C ATOM 385 NE ARG A 28 -4.395 10.029 -4.732 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.274 10.277 -5.697 1.00 0.00 C ATOM 387 NH1 ARG A 28 -6.550 10.480 -5.398 1.00 0.00 N ATOM 388 NH2 ARG A 28 -4.881 10.294 -6.963 1.00 0.00 N ATOM 0 H ARG A 28 -0.889 8.684 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.812 7.773 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.166 8.069 -4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.957 7.402 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.853 9.485 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.712 10.163 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.608 9.421 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.964 11.044 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.433 9.825 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.858 10.446 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.224 10.670 -6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.904 10.117 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.556 10.484 -7.704 1.00 0.00 H new ATOM 402 N ILE A 29 -2.533 5.323 -2.147 1.00 0.00 N ATOM 403 CA ILE A 29 -2.497 3.894 -2.418 1.00 0.00 C ATOM 404 C ILE A 29 -2.887 3.637 -3.868 1.00 0.00 C ATOM 405 O ILE A 29 -2.295 2.792 -4.545 1.00 0.00 O ATOM 406 CB ILE A 29 -3.437 3.111 -1.482 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.219 3.537 -0.027 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.214 1.612 -1.639 1.00 0.00 C ATOM 409 CD1 ILE A 29 -4.057 2.757 0.953 1.00 0.00 C ATOM 0 H ILE A 29 -3.274 5.615 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.480 3.546 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.467 3.337 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.166 3.414 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.449 4.598 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.885 1.072 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.416 1.320 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.181 1.370 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.855 3.108 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.113 2.900 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.810 1.698 0.880 1.00 0.00 H new ATOM 421 N LYS A 30 -3.879 4.388 -4.341 1.00 0.00 N ATOM 422 CA LYS A 30 -4.285 4.349 -5.741 1.00 0.00 C ATOM 423 C LYS A 30 -3.107 4.738 -6.629 1.00 0.00 C ATOM 424 O LYS A 30 -2.921 4.195 -7.719 1.00 0.00 O ATOM 425 CB LYS A 30 -5.460 5.306 -5.969 1.00 0.00 C ATOM 426 CG LYS A 30 -6.064 5.244 -7.365 1.00 0.00 C ATOM 427 CD LYS A 30 -6.608 3.862 -7.690 1.00 0.00 C ATOM 428 CE LYS A 30 -7.402 3.858 -8.990 1.00 0.00 C ATOM 429 NZ LYS A 30 -6.602 4.350 -10.145 1.00 0.00 N ATOM 0 H LYS A 30 -4.420 5.036 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.602 3.338 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.239 5.084 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.124 6.325 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.866 5.977 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.307 5.518 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.782 3.155 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.245 3.521 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.750 2.846 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.288 4.482 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.150 4.233 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.377 5.356 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.719 3.804 -10.213 1.00 0.00 H new ATOM 443 N ASP A 31 -2.310 5.676 -6.134 1.00 0.00 N ATOM 444 CA ASP A 31 -1.115 6.133 -6.833 1.00 0.00 C ATOM 445 C ASP A 31 -0.078 5.022 -6.922 1.00 0.00 C ATOM 446 O ASP A 31 0.281 4.576 -8.013 1.00 0.00 O ATOM 447 CB ASP A 31 -0.493 7.330 -6.108 1.00 0.00 C ATOM 448 CG ASP A 31 -1.158 8.654 -6.431 1.00 0.00 C ATOM 449 OD1 ASP A 31 -0.928 9.180 -7.536 1.00 0.00 O ATOM 450 OD2 ASP A 31 -1.872 9.197 -5.561 1.00 0.00 O ATOM 0 H ASP A 31 -2.472 6.140 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.416 6.427 -7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.547 7.160 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.564 7.392 -6.368 1.00 0.00 H new ATOM 455 N VAL A 32 0.387 4.573 -5.760 1.00 0.00 N ATOM 456 CA VAL A 32 1.449 3.578 -5.683 1.00 0.00 C ATOM 457 C VAL A 32 1.055 2.278 -6.380 1.00 0.00 C ATOM 458 O VAL A 32 1.698 1.871 -7.348 1.00 0.00 O ATOM 459 CB VAL A 32 1.834 3.278 -4.217 1.00 0.00 C ATOM 460 CG1 VAL A 32 2.919 2.213 -4.142 1.00 0.00 C ATOM 461 CG2 VAL A 32 2.295 4.544 -3.515 1.00 0.00 C ATOM 0 H VAL A 32 0.041 4.886 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 32 2.312 4.002 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 32 0.946 2.899 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.170 2.022 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.558 1.293 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.807 2.560 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.562 4.312 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.164 4.951 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.490 5.279 -3.525 1.00 0.00 H new ATOM 471 N LEU A 33 -0.015 1.639 -5.908 1.00 0.00 N ATOM 472 CA LEU A 33 -0.429 0.355 -6.466 1.00 0.00 C ATOM 473 C LEU A 33 -0.827 0.495 -7.932 1.00 0.00 C ATOM 474 O LEU A 33 -0.573 -0.400 -8.737 1.00 0.00 O ATOM 475 CB LEU A 33 -1.578 -0.260 -5.656 1.00 0.00 C ATOM 476 CG LEU A 33 -1.157 -1.029 -4.395 1.00 0.00 C ATOM 477 CD1 LEU A 33 -0.531 -0.102 -3.365 1.00 0.00 C ATOM 478 CD2 LEU A 33 -2.348 -1.757 -3.797 1.00 0.00 C ATOM 0 H LEU A 33 -0.604 1.985 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 33 0.427 -0.317 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.261 0.537 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.136 -0.936 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.405 -1.763 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.244 -0.677 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.352 0.373 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.252 0.664 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.033 -2.297 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.120 -1.035 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.747 -2.462 -4.526 1.00 0.00 H new ATOM 490 N GLY A 34 -1.416 1.635 -8.280 1.00 0.00 N ATOM 491 CA GLY A 34 -1.847 1.863 -9.645 1.00 0.00 C ATOM 492 C GLY A 34 -0.686 1.928 -10.619 1.00 0.00 C ATOM 493 O GLY A 34 -0.709 1.279 -11.666 1.00 0.00 O ATOM 0 H GLY A 34 -1.602 2.406 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.525 1.065 -9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.410 2.795 -9.694 1.00 0.00 H new ATOM 497 N GLU A 35 0.346 2.692 -10.270 1.00 0.00 N ATOM 498 CA GLU A 35 1.518 2.828 -11.130 1.00 0.00 C ATOM 499 C GLU A 35 2.339 1.540 -11.148 1.00 0.00 C ATOM 500 O GLU A 35 3.094 1.285 -12.088 1.00 0.00 O ATOM 501 CB GLU A 35 2.385 4.009 -10.687 1.00 0.00 C ATOM 502 CG GLU A 35 1.731 5.358 -10.932 1.00 0.00 C ATOM 503 CD GLU A 35 2.610 6.521 -10.521 1.00 0.00 C ATOM 504 OE1 GLU A 35 3.632 6.769 -11.195 1.00 0.00 O ATOM 505 OE2 GLU A 35 2.282 7.196 -9.522 1.00 0.00 O ATOM 0 H GLU A 35 0.395 3.224 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 35 1.166 3.021 -12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.609 3.909 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.336 3.972 -11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.485 5.451 -11.990 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.792 5.406 -10.381 1.00 0.00 H new ATOM 512 N LEU A 36 2.179 0.725 -10.113 1.00 0.00 N ATOM 513 CA LEU A 36 2.848 -0.569 -10.052 1.00 0.00 C ATOM 514 C LEU A 36 2.015 -1.640 -10.751 1.00 0.00 C ATOM 515 O LEU A 36 2.387 -2.814 -10.766 1.00 0.00 O ATOM 516 CB LEU A 36 3.112 -0.975 -8.601 1.00 0.00 C ATOM 517 CG LEU A 36 4.070 -0.063 -7.833 1.00 0.00 C ATOM 518 CD1 LEU A 36 4.257 -0.566 -6.410 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.410 0.022 -8.544 1.00 0.00 C ATOM 0 H LEU A 36 1.593 0.936 -9.305 1.00 0.00 H new ATOM 0 HA LEU A 36 3.804 -0.478 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.160 -1.005 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.514 -1.988 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 36 3.636 0.936 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.942 0.094 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.294 -0.579 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.669 -1.575 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.079 0.675 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.849 -0.973 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.265 0.425 -9.546 1.00 0.00 H new ATOM 531 N GLU A 37 0.877 -1.217 -11.309 1.00 0.00 N ATOM 532 CA GLU A 37 -0.016 -2.090 -12.078 1.00 0.00 C ATOM 533 C GLU A 37 -0.626 -3.181 -11.190 1.00 0.00 C ATOM 534 O GLU A 37 -1.177 -4.166 -11.682 1.00 0.00 O ATOM 535 CB GLU A 37 0.731 -2.708 -13.272 1.00 0.00 C ATOM 536 CG GLU A 37 -0.188 -3.281 -14.342 1.00 0.00 C ATOM 537 CD GLU A 37 0.566 -3.851 -15.524 1.00 0.00 C ATOM 538 OE1 GLU A 37 1.012 -3.063 -16.390 1.00 0.00 O ATOM 539 OE2 GLU A 37 0.699 -5.088 -15.611 1.00 0.00 O ATOM 0 H GLU A 37 0.547 -0.254 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.834 -1.481 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.368 -1.947 -13.723 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.387 -3.499 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.807 -4.063 -13.901 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.863 -2.499 -14.691 1.00 0.00 H new ATOM 546 N ILE A 38 -0.566 -2.981 -9.883 1.00 0.00 N ATOM 547 CA ILE A 38 -1.126 -3.934 -8.941 1.00 0.00 C ATOM 548 C ILE A 38 -2.622 -3.679 -8.784 1.00 0.00 C ATOM 549 O ILE A 38 -3.021 -2.593 -8.365 1.00 0.00 O ATOM 550 CB ILE A 38 -0.438 -3.839 -7.560 1.00 0.00 C ATOM 551 CG1 ILE A 38 1.066 -4.095 -7.697 1.00 0.00 C ATOM 552 CG2 ILE A 38 -1.062 -4.826 -6.579 1.00 0.00 C ATOM 553 CD1 ILE A 38 1.838 -3.936 -6.402 1.00 0.00 C ATOM 0 H ILE A 38 -0.134 -2.165 -9.451 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.956 -4.936 -9.335 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.585 -2.832 -7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.219 -5.105 -8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.475 -3.409 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.564 -4.743 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.122 -4.601 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.947 -5.840 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.895 -4.134 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.717 -2.919 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.458 -4.641 -5.663 1.00 0.00 H new ATOM 565 N PRO A 39 -3.463 -4.665 -9.141 1.00 0.00 N ATOM 566 CA PRO A 39 -4.924 -4.534 -9.082 1.00 0.00 C ATOM 567 C PRO A 39 -5.429 -4.244 -7.673 1.00 0.00 C ATOM 568 O PRO A 39 -5.691 -5.156 -6.889 1.00 0.00 O ATOM 569 CB PRO A 39 -5.438 -5.892 -9.568 1.00 0.00 C ATOM 570 CG PRO A 39 -4.298 -6.490 -10.313 1.00 0.00 C ATOM 571 CD PRO A 39 -3.055 -5.986 -9.637 1.00 0.00 C ATOM 0 HA PRO A 39 -5.274 -3.697 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.737 -6.523 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.312 -5.777 -10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.343 -7.579 -10.287 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.319 -6.195 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.742 -6.643 -8.826 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.218 -5.916 -10.331 1.00 0.00 H new ATOM 579 N ILE A 40 -5.562 -2.963 -7.364 1.00 0.00 N ATOM 580 CA ILE A 40 -5.991 -2.526 -6.043 1.00 0.00 C ATOM 581 C ILE A 40 -7.497 -2.728 -5.879 1.00 0.00 C ATOM 582 O ILE A 40 -8.020 -2.770 -4.767 1.00 0.00 O ATOM 583 CB ILE A 40 -5.612 -1.043 -5.797 1.00 0.00 C ATOM 584 CG1 ILE A 40 -5.972 -0.626 -4.373 1.00 0.00 C ATOM 585 CG2 ILE A 40 -6.288 -0.134 -6.817 1.00 0.00 C ATOM 586 CD1 ILE A 40 -5.563 0.789 -4.040 1.00 0.00 C ATOM 0 H ILE A 40 -5.377 -2.201 -8.017 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.474 -3.133 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.534 -0.941 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.048 -0.727 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.494 -1.309 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.007 0.901 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.971 -0.415 -7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.370 -0.237 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.849 1.018 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.483 0.890 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.061 1.481 -4.719 1.00 0.00 H new ATOM 598 N GLU A 41 -8.177 -2.895 -7.004 1.00 0.00 N ATOM 599 CA GLU A 41 -9.624 -3.051 -7.026 1.00 0.00 C ATOM 600 C GLU A 41 -10.062 -4.379 -6.387 1.00 0.00 C ATOM 601 O GLU A 41 -11.206 -4.520 -5.956 1.00 0.00 O ATOM 602 CB GLU A 41 -10.114 -2.970 -8.477 1.00 0.00 C ATOM 603 CG GLU A 41 -11.624 -2.966 -8.633 1.00 0.00 C ATOM 604 CD GLU A 41 -12.050 -2.944 -10.085 1.00 0.00 C ATOM 605 OE1 GLU A 41 -12.113 -1.846 -10.672 1.00 0.00 O ATOM 606 OE2 GLU A 41 -12.307 -4.028 -10.649 1.00 0.00 O ATOM 0 H GLU A 41 -7.742 -2.926 -7.926 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.069 -2.248 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.712 -2.065 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.706 -3.815 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.040 -3.849 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.038 -2.097 -8.122 1.00 0.00 H new ATOM 613 N THR A 42 -9.149 -5.342 -6.310 1.00 0.00 N ATOM 614 CA THR A 42 -9.492 -6.674 -5.818 1.00 0.00 C ATOM 615 C THR A 42 -8.680 -7.065 -4.578 1.00 0.00 C ATOM 616 O THR A 42 -8.703 -8.222 -4.149 1.00 0.00 O ATOM 617 CB THR A 42 -9.280 -7.727 -6.928 1.00 0.00 C ATOM 618 OG1 THR A 42 -9.659 -9.030 -6.468 1.00 0.00 O ATOM 619 CG2 THR A 42 -7.830 -7.743 -7.386 1.00 0.00 C ATOM 0 H THR A 42 -8.172 -5.228 -6.580 1.00 0.00 H new ATOM 0 HA THR A 42 -10.543 -6.645 -5.531 1.00 0.00 H new ATOM 0 HB THR A 42 -9.912 -7.454 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.119 -9.271 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.704 -8.492 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.561 -6.762 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.185 -7.987 -6.542 1.00 0.00 H new ATOM 627 N VAL A 43 -7.967 -6.118 -3.990 1.00 0.00 N ATOM 628 CA VAL A 43 -7.159 -6.425 -2.820 1.00 0.00 C ATOM 629 C VAL A 43 -7.542 -5.550 -1.637 1.00 0.00 C ATOM 630 O VAL A 43 -7.954 -4.400 -1.802 1.00 0.00 O ATOM 631 CB VAL A 43 -5.645 -6.290 -3.098 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.205 -7.292 -4.156 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.290 -4.873 -3.516 1.00 0.00 C ATOM 0 H VAL A 43 -7.930 -5.146 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.365 -7.467 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.110 -6.509 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.136 -7.182 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.412 -8.304 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.752 -7.108 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.219 -4.807 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.835 -4.614 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.561 -4.180 -2.720 1.00 0.00 H new ATOM 643 N VAL A 44 -7.419 -6.117 -0.450 1.00 0.00 N ATOM 644 CA VAL A 44 -7.715 -5.395 0.776 1.00 0.00 C ATOM 645 C VAL A 44 -6.446 -4.752 1.309 1.00 0.00 C ATOM 646 O VAL A 44 -5.464 -5.439 1.583 1.00 0.00 O ATOM 647 CB VAL A 44 -8.320 -6.322 1.852 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.663 -5.539 3.113 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.552 -7.037 1.310 1.00 0.00 C ATOM 0 H VAL A 44 -7.115 -7.080 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.452 -4.627 0.543 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.574 -7.072 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.088 -6.214 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.759 -5.080 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.388 -4.762 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.965 -7.686 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.300 -6.301 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.273 -7.636 0.443 1.00 0.00 H new ATOM 659 N VAL A 45 -6.465 -3.438 1.438 1.00 0.00 N ATOM 660 CA VAL A 45 -5.289 -2.700 1.866 1.00 0.00 C ATOM 661 C VAL A 45 -5.415 -2.277 3.326 1.00 0.00 C ATOM 662 O VAL A 45 -6.441 -1.735 3.745 1.00 0.00 O ATOM 663 CB VAL A 45 -5.061 -1.449 0.991 1.00 0.00 C ATOM 664 CG1 VAL A 45 -3.756 -0.762 1.365 1.00 0.00 C ATOM 665 CG2 VAL A 45 -5.068 -1.816 -0.486 1.00 0.00 C ATOM 0 H VAL A 45 -7.283 -2.858 1.252 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.434 -3.366 1.756 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.879 -0.753 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.615 0.117 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.792 -0.458 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.926 -1.452 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.906 -0.920 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.273 -2.535 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.030 -2.257 -0.747 1.00 0.00 H new ATOM 675 N LYS A 46 -4.376 -2.546 4.098 1.00 0.00 N ATOM 676 CA LYS A 46 -4.339 -2.158 5.498 1.00 0.00 C ATOM 677 C LYS A 46 -3.193 -1.199 5.775 1.00 0.00 C ATOM 678 O LYS A 46 -2.132 -1.294 5.163 1.00 0.00 O ATOM 679 CB LYS A 46 -4.166 -3.379 6.398 1.00 0.00 C ATOM 680 CG LYS A 46 -5.398 -4.248 6.549 1.00 0.00 C ATOM 681 CD LYS A 46 -5.076 -5.442 7.424 1.00 0.00 C ATOM 682 CE LYS A 46 -6.287 -6.314 7.691 1.00 0.00 C ATOM 683 NZ LYS A 46 -5.937 -7.463 8.562 1.00 0.00 N ATOM 0 H LYS A 46 -3.541 -3.035 3.776 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.288 -1.667 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.356 -3.991 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.856 -3.041 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.211 -3.670 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.740 -4.584 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.301 -6.040 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.668 -5.093 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.069 -5.720 8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.691 -6.679 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.618 -8.234 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.979 -7.795 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.969 -7.166 9.558 1.00 0.00 H new ATOM 697 N LYS A 47 -3.429 -0.279 6.696 1.00 0.00 N ATOM 698 CA LYS A 47 -2.381 0.557 7.252 1.00 0.00 C ATOM 699 C LYS A 47 -2.124 0.144 8.692 1.00 0.00 C ATOM 700 O LYS A 47 -2.914 0.460 9.582 1.00 0.00 O ATOM 701 CB LYS A 47 -2.773 2.033 7.205 1.00 0.00 C ATOM 702 CG LYS A 47 -2.690 2.649 5.826 1.00 0.00 C ATOM 703 CD LYS A 47 -3.118 4.101 5.859 1.00 0.00 C ATOM 704 CE LYS A 47 -2.766 4.808 4.568 1.00 0.00 C ATOM 705 NZ LYS A 47 -1.299 4.819 4.338 1.00 0.00 N ATOM 0 H LYS A 47 -4.356 -0.091 7.079 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.478 0.425 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.791 2.140 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.126 2.592 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.669 2.574 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.325 2.094 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.193 4.162 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.635 4.606 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.263 4.313 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.139 5.832 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.072 5.489 3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.813 5.109 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.983 3.866 4.066 1.00 0.00 H new ATOM 719 N ASN A 48 -1.046 -0.605 8.901 1.00 0.00 N ATOM 720 CA ASN A 48 -0.662 -1.087 10.230 1.00 0.00 C ATOM 721 C ASN A 48 -1.766 -1.933 10.863 1.00 0.00 C ATOM 722 O ASN A 48 -1.787 -2.136 12.077 1.00 0.00 O ATOM 723 CB ASN A 48 -0.302 0.088 11.149 1.00 0.00 C ATOM 724 CG ASN A 48 1.012 0.743 10.770 1.00 0.00 C ATOM 725 OD1 ASN A 48 1.053 1.646 9.934 1.00 0.00 O ATOM 726 ND2 ASN A 48 2.093 0.304 11.392 1.00 0.00 N ATOM 0 H ASN A 48 -0.412 -0.897 8.157 1.00 0.00 H new ATOM 0 HA ASN A 48 0.216 -1.721 10.106 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.098 0.831 11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.244 -0.265 12.179 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.003 0.716 11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.017 -0.446 12.079 1.00 0.00 H new ATOM 733 N GLY A 49 -2.673 -2.441 10.040 1.00 0.00 N ATOM 734 CA GLY A 49 -3.738 -3.280 10.548 1.00 0.00 C ATOM 735 C GLY A 49 -5.114 -2.689 10.310 1.00 0.00 C ATOM 736 O GLY A 49 -6.118 -3.400 10.368 1.00 0.00 O ATOM 0 H GLY A 49 -2.690 -2.287 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.681 -4.260 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.594 -3.435 11.617 1.00 0.00 H new ATOM 740 N GLN A 50 -5.171 -1.391 10.040 1.00 0.00 N ATOM 741 CA GLN A 50 -6.447 -0.729 9.791 1.00 0.00 C ATOM 742 C GLN A 50 -6.819 -0.823 8.317 1.00 0.00 C ATOM 743 O GLN A 50 -6.011 -0.516 7.446 1.00 0.00 O ATOM 744 CB GLN A 50 -6.395 0.743 10.216 1.00 0.00 C ATOM 745 CG GLN A 50 -6.080 0.961 11.690 1.00 0.00 C ATOM 746 CD GLN A 50 -7.006 0.199 12.619 1.00 0.00 C ATOM 747 OE1 GLN A 50 -8.148 -0.108 12.276 1.00 0.00 O ATOM 748 NE2 GLN A 50 -6.528 -0.078 13.820 1.00 0.00 N ATOM 0 H GLN A 50 -4.356 -0.779 9.988 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.206 -1.237 10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.643 1.255 9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.354 1.208 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.051 0.657 11.884 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.146 2.025 11.915 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.576 0.194 14.065 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.111 -0.563 14.502 1.00 0.00 H new ATOM 757 N ILE A 51 -8.041 -1.252 8.046 1.00 0.00 N ATOM 758 CA ILE A 51 -8.514 -1.396 6.675 1.00 0.00 C ATOM 759 C ILE A 51 -8.792 -0.022 6.070 1.00 0.00 C ATOM 760 O ILE A 51 -9.598 0.747 6.597 1.00 0.00 O ATOM 761 CB ILE A 51 -9.792 -2.273 6.587 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.505 -3.719 7.021 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.356 -2.260 5.172 1.00 0.00 C ATOM 764 CD1 ILE A 51 -9.403 -3.917 8.521 1.00 0.00 C ATOM 0 H ILE A 51 -8.726 -1.507 8.757 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.727 -1.897 6.111 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.530 -1.849 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.294 -4.364 6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.573 -4.045 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.251 -2.880 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.610 -1.238 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.611 -2.652 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.199 -4.966 8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.594 -3.302 8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.342 -3.626 8.991 1.00 0.00 H new ATOM 776 N VAL A 52 -8.114 0.285 4.974 1.00 0.00 N ATOM 777 CA VAL A 52 -8.222 1.595 4.346 1.00 0.00 C ATOM 778 C VAL A 52 -8.641 1.473 2.885 1.00 0.00 C ATOM 779 O VAL A 52 -8.815 0.369 2.370 1.00 0.00 O ATOM 780 CB VAL A 52 -6.893 2.371 4.429 1.00 0.00 C ATOM 781 CG1 VAL A 52 -6.569 2.738 5.866 1.00 0.00 C ATOM 782 CG2 VAL A 52 -5.759 1.567 3.815 1.00 0.00 C ATOM 0 H VAL A 52 -7.480 -0.358 4.499 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.987 2.145 4.893 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.007 3.293 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.627 3.285 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.365 3.363 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.482 1.830 6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.831 2.135 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.649 0.625 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.982 1.364 2.768 1.00 0.00 H new ATOM 792 N ILE A 53 -8.803 2.614 2.225 1.00 0.00 N ATOM 793 CA ILE A 53 -9.197 2.644 0.821 1.00 0.00 C ATOM 794 C ILE A 53 -8.085 3.235 -0.045 1.00 0.00 C ATOM 795 O ILE A 53 -7.087 3.739 0.476 1.00 0.00 O ATOM 796 CB ILE A 53 -10.495 3.456 0.609 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.329 4.883 1.149 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.672 2.758 1.278 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.537 5.767 0.924 1.00 0.00 C ATOM 0 H ILE A 53 -8.667 3.535 2.642 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.380 1.612 0.521 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.697 3.518 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.120 4.835 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.461 5.342 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.579 3.342 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.800 1.765 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.481 2.667 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.343 6.759 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.735 5.847 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.404 5.332 1.422 1.00 0.00 H new ATOM 811 N ASP A 54 -8.277 3.195 -1.360 1.00 0.00 N ATOM 812 CA ASP A 54 -7.269 3.663 -2.317 1.00 0.00 C ATOM 813 C ASP A 54 -6.979 5.157 -2.174 1.00 0.00 C ATOM 814 O ASP A 54 -5.899 5.625 -2.548 1.00 0.00 O ATOM 815 CB ASP A 54 -7.715 3.364 -3.754 1.00 0.00 C ATOM 816 CG ASP A 54 -8.976 4.110 -4.160 1.00 0.00 C ATOM 817 OD1 ASP A 54 -8.881 5.277 -4.594 1.00 0.00 O ATOM 818 OD2 ASP A 54 -10.073 3.528 -4.056 1.00 0.00 O ATOM 0 H ASP A 54 -9.129 2.840 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.349 3.122 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.909 3.627 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.886 2.293 -3.859 1.00 0.00 H new ATOM 823 N GLU A 55 -7.939 5.893 -1.626 1.00 0.00 N ATOM 824 CA GLU A 55 -7.825 7.344 -1.496 1.00 0.00 C ATOM 825 C GLU A 55 -6.801 7.722 -0.428 1.00 0.00 C ATOM 826 O GLU A 55 -6.311 8.855 -0.392 1.00 0.00 O ATOM 827 CB GLU A 55 -9.188 7.943 -1.142 1.00 0.00 C ATOM 828 CG GLU A 55 -9.271 9.447 -1.351 1.00 0.00 C ATOM 829 CD GLU A 55 -9.158 9.843 -2.808 1.00 0.00 C ATOM 830 OE1 GLU A 55 -10.153 9.686 -3.548 1.00 0.00 O ATOM 831 OE2 GLU A 55 -8.088 10.336 -3.222 1.00 0.00 O ATOM 0 H GLU A 55 -8.810 5.508 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.487 7.746 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.955 7.459 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.414 7.717 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.217 9.813 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.476 9.933 -0.784 1.00 0.00 H new ATOM 838 N GLU A 56 -6.475 6.771 0.436 1.00 0.00 N ATOM 839 CA GLU A 56 -5.549 7.023 1.528 1.00 0.00 C ATOM 840 C GLU A 56 -4.143 7.287 1.011 1.00 0.00 C ATOM 841 O GLU A 56 -3.686 6.654 0.058 1.00 0.00 O ATOM 842 CB GLU A 56 -5.531 5.845 2.500 1.00 0.00 C ATOM 843 CG GLU A 56 -6.816 5.688 3.293 1.00 0.00 C ATOM 844 CD GLU A 56 -7.087 6.875 4.191 1.00 0.00 C ATOM 845 OE1 GLU A 56 -6.580 6.896 5.331 1.00 0.00 O ATOM 846 OE2 GLU A 56 -7.803 7.797 3.761 1.00 0.00 O ATOM 0 H GLU A 56 -6.839 5.819 0.401 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.894 7.914 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.345 4.928 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.700 5.970 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.651 5.558 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.758 4.783 3.898 1.00 0.00 H new ATOM 853 N GLU A 57 -3.463 8.222 1.651 1.00 0.00 N ATOM 854 CA GLU A 57 -2.113 8.589 1.266 1.00 0.00 C ATOM 855 C GLU A 57 -1.097 7.727 1.995 1.00 0.00 C ATOM 856 O GLU A 57 -1.364 7.227 3.086 1.00 0.00 O ATOM 857 CB GLU A 57 -1.876 10.064 1.569 1.00 0.00 C ATOM 858 CG GLU A 57 -2.734 10.984 0.723 1.00 0.00 C ATOM 859 CD GLU A 57 -2.899 12.352 1.334 1.00 0.00 C ATOM 860 OE1 GLU A 57 -1.959 13.168 1.251 1.00 0.00 O ATOM 861 OE2 GLU A 57 -3.977 12.617 1.903 1.00 0.00 O ATOM 0 H GLU A 57 -3.829 8.745 2.447 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.993 8.422 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.081 10.251 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.825 10.300 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.286 11.084 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.716 10.532 0.584 1.00 0.00 H new ATOM 868 N ILE A 58 0.052 7.532 1.375 1.00 0.00 N ATOM 869 CA ILE A 58 1.135 6.788 1.990 1.00 0.00 C ATOM 870 C ILE A 58 1.991 7.754 2.795 1.00 0.00 C ATOM 871 O ILE A 58 2.132 8.919 2.422 1.00 0.00 O ATOM 872 CB ILE A 58 2.020 6.080 0.939 1.00 0.00 C ATOM 873 CG1 ILE A 58 1.175 5.500 -0.203 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.839 4.981 1.600 1.00 0.00 C ATOM 875 CD1 ILE A 58 0.204 4.422 0.225 1.00 0.00 C ATOM 0 H ILE A 58 0.260 7.881 0.439 1.00 0.00 H new ATOM 0 HA ILE A 58 0.702 6.019 2.630 1.00 0.00 H new ATOM 0 HB ILE A 58 2.695 6.821 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.617 6.309 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.843 5.091 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.459 4.489 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.477 5.415 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.169 4.251 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.352 4.068 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.754 3.591 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.491 4.829 0.960 1.00 0.00 H new ATOM 887 N PHE A 59 2.541 7.288 3.903 1.00 0.00 N ATOM 888 CA PHE A 59 3.346 8.141 4.757 1.00 0.00 C ATOM 889 C PHE A 59 4.642 7.446 5.136 1.00 0.00 C ATOM 890 O PHE A 59 4.786 6.236 4.961 1.00 0.00 O ATOM 891 CB PHE A 59 2.573 8.516 6.025 1.00 0.00 C ATOM 892 CG PHE A 59 1.300 9.273 5.768 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.333 10.614 5.421 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.072 8.642 5.875 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.164 11.310 5.183 1.00 0.00 C ATOM 896 CE2 PHE A 59 -1.100 9.333 5.639 1.00 0.00 C ATOM 897 CZ PHE A 59 -1.054 10.670 5.293 1.00 0.00 C ATOM 0 H PHE A 59 2.445 6.327 4.231 1.00 0.00 H new ATOM 0 HA PHE A 59 3.580 9.050 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.337 7.606 6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.218 9.118 6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.283 11.120 5.336 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.030 7.597 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.203 12.354 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.051 8.829 5.725 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.969 11.213 5.109 1.00 0.00 H new ATOM 907 N ASP A 60 5.591 8.220 5.626 1.00 0.00 N ATOM 908 CA ASP A 60 6.811 7.659 6.182 1.00 0.00 C ATOM 909 C ASP A 60 6.488 6.902 7.463 1.00 0.00 C ATOM 910 O ASP A 60 5.927 7.468 8.403 1.00 0.00 O ATOM 911 CB ASP A 60 7.833 8.761 6.463 1.00 0.00 C ATOM 912 CG ASP A 60 9.074 8.229 7.149 1.00 0.00 C ATOM 913 OD1 ASP A 60 9.895 7.572 6.474 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.227 8.453 8.367 1.00 0.00 O ATOM 0 H ASP A 60 5.543 9.239 5.651 1.00 0.00 H new ATOM 0 HA ASP A 60 7.244 6.970 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.115 9.240 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.375 9.528 7.088 1.00 0.00 H new ATOM 919 N GLY A 61 6.819 5.621 7.488 1.00 0.00 N ATOM 920 CA GLY A 61 6.501 4.797 8.636 1.00 0.00 C ATOM 921 C GLY A 61 5.129 4.166 8.512 1.00 0.00 C ATOM 922 O GLY A 61 4.525 3.762 9.508 1.00 0.00 O ATOM 0 H GLY A 61 7.303 5.136 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.253 4.015 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.542 5.403 9.541 1.00 0.00 H new ATOM 926 N ASP A 62 4.636 4.100 7.286 1.00 0.00 N ATOM 927 CA ASP A 62 3.336 3.510 7.007 1.00 0.00 C ATOM 928 C ASP A 62 3.522 2.060 6.581 1.00 0.00 C ATOM 929 O ASP A 62 4.370 1.756 5.740 1.00 0.00 O ATOM 930 CB ASP A 62 2.633 4.308 5.909 1.00 0.00 C ATOM 931 CG ASP A 62 1.150 4.021 5.815 1.00 0.00 C ATOM 932 OD1 ASP A 62 0.762 3.064 5.123 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.355 4.790 6.401 1.00 0.00 O ATOM 0 H ASP A 62 5.122 4.451 6.461 1.00 0.00 H new ATOM 0 HA ASP A 62 2.717 3.537 7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.779 5.372 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.101 4.083 4.950 1.00 0.00 H new ATOM 938 N ILE A 63 2.756 1.163 7.176 1.00 0.00 N ATOM 939 CA ILE A 63 2.891 -0.258 6.889 1.00 0.00 C ATOM 940 C ILE A 63 1.663 -0.771 6.146 1.00 0.00 C ATOM 941 O ILE A 63 0.576 -0.866 6.718 1.00 0.00 O ATOM 942 CB ILE A 63 3.094 -1.082 8.182 1.00 0.00 C ATOM 943 CG1 ILE A 63 4.321 -0.579 8.956 1.00 0.00 C ATOM 944 CG2 ILE A 63 3.228 -2.567 7.863 1.00 0.00 C ATOM 945 CD1 ILE A 63 5.621 -0.655 8.183 1.00 0.00 C ATOM 0 H ILE A 63 2.034 1.391 7.860 1.00 0.00 H new ATOM 0 HA ILE A 63 3.774 -0.381 6.261 1.00 0.00 H new ATOM 0 HB ILE A 63 2.214 -0.950 8.812 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.149 0.455 9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.422 -1.162 9.872 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.370 -3.126 8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.324 -2.915 7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.086 -2.723 7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.435 -0.280 8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.821 -1.691 7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.544 -0.049 7.281 1.00 0.00 H new ATOM 957 N ILE A 64 1.841 -1.097 4.875 1.00 0.00 N ATOM 958 CA ILE A 64 0.741 -1.539 4.034 1.00 0.00 C ATOM 959 C ILE A 64 0.649 -3.061 3.998 1.00 0.00 C ATOM 960 O ILE A 64 1.589 -3.742 3.584 1.00 0.00 O ATOM 961 CB ILE A 64 0.900 -1.006 2.589 1.00 0.00 C ATOM 962 CG1 ILE A 64 0.824 0.525 2.564 1.00 0.00 C ATOM 963 CG2 ILE A 64 -0.159 -1.603 1.670 1.00 0.00 C ATOM 964 CD1 ILE A 64 -0.516 1.076 3.007 1.00 0.00 C ATOM 0 H ILE A 64 2.744 -1.063 4.401 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.175 -1.138 4.468 1.00 0.00 H new ATOM 0 HB ILE A 64 1.881 -1.310 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.604 0.929 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.034 0.874 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.026 -1.213 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.059 -2.688 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.150 -1.335 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.494 2.165 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.299 0.702 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.720 0.758 4.029 1.00 0.00 H new ATOM 976 N GLU A 65 -0.479 -3.591 4.449 1.00 0.00 N ATOM 977 CA GLU A 65 -0.758 -5.011 4.309 1.00 0.00 C ATOM 978 C GLU A 65 -1.754 -5.218 3.177 1.00 0.00 C ATOM 979 O GLU A 65 -2.855 -4.668 3.202 1.00 0.00 O ATOM 980 CB GLU A 65 -1.295 -5.617 5.615 1.00 0.00 C ATOM 981 CG GLU A 65 -1.627 -7.100 5.491 1.00 0.00 C ATOM 982 CD GLU A 65 -1.946 -7.767 6.819 1.00 0.00 C ATOM 983 OE1 GLU A 65 -3.114 -7.712 7.259 1.00 0.00 O ATOM 984 OE2 GLU A 65 -1.037 -8.388 7.408 1.00 0.00 O ATOM 0 H GLU A 65 -1.214 -3.059 4.914 1.00 0.00 H new ATOM 0 HA GLU A 65 0.175 -5.524 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.555 -5.481 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.190 -5.074 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.479 -7.218 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.785 -7.615 5.029 1.00 0.00 H new ATOM 991 N VAL A 66 -1.355 -5.985 2.176 1.00 0.00 N ATOM 992 CA VAL A 66 -2.211 -6.241 1.032 1.00 0.00 C ATOM 993 C VAL A 66 -2.737 -7.666 1.069 1.00 0.00 C ATOM 994 O VAL A 66 -1.994 -8.625 0.858 1.00 0.00 O ATOM 995 CB VAL A 66 -1.480 -5.986 -0.306 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.343 -6.408 -1.485 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.114 -4.515 -0.428 1.00 0.00 C ATOM 0 H VAL A 66 -0.443 -6.441 2.133 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.047 -5.545 1.094 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.569 -6.584 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.807 -6.219 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.570 -7.471 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.271 -5.837 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.599 -4.345 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.020 -3.911 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.459 -4.233 0.397 1.00 0.00 H new ATOM 1007 N ILE A 67 -4.020 -7.794 1.355 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.657 -9.095 1.422 1.00 0.00 C ATOM 1009 C ILE A 67 -5.490 -9.324 0.172 1.00 0.00 C ATOM 1010 O ILE A 67 -6.520 -8.676 -0.019 1.00 0.00 O ATOM 1011 CB ILE A 67 -5.576 -9.212 2.656 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -4.858 -8.706 3.908 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -6.030 -10.654 2.843 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -5.734 -8.690 5.137 1.00 0.00 C ATOM 0 H ILE A 67 -4.643 -7.009 1.545 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.869 -9.845 1.499 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.457 -8.592 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.989 -9.336 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.487 -7.698 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.678 -10.721 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.578 -10.980 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.159 -11.294 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.161 -8.320 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.590 -8.038 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.084 -9.701 5.347 1.00 0.00 H new ATOM 1026 N ARG A 68 -5.041 -10.221 -0.693 1.00 0.00 N ATOM 1027 CA ARG A 68 -5.806 -10.555 -1.885 1.00 0.00 C ATOM 1028 C ARG A 68 -7.077 -11.285 -1.476 1.00 0.00 C ATOM 1029 O ARG A 68 -7.064 -12.062 -0.520 1.00 0.00 O ATOM 1030 CB ARG A 68 -5.016 -11.466 -2.827 1.00 0.00 C ATOM 1031 CG ARG A 68 -3.568 -11.063 -3.071 1.00 0.00 C ATOM 1032 CD ARG A 68 -2.964 -11.900 -4.192 1.00 0.00 C ATOM 1033 NE ARG A 68 -1.523 -12.099 -4.043 1.00 0.00 N ATOM 1034 CZ ARG A 68 -0.663 -12.176 -5.061 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -1.075 -11.970 -6.308 1.00 0.00 N ATOM 1036 NH2 ARG A 68 0.610 -12.461 -4.821 1.00 0.00 N ATOM 0 H ARG A 68 -4.160 -10.726 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.034 -9.624 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.029 -12.478 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.531 -11.501 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.517 -10.006 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.988 -11.195 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.458 -12.871 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.161 -11.414 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.150 -12.185 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.054 -11.751 -6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.412 -12.031 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.925 -12.620 -3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.273 -12.522 -5.593 1.00 0.00 H new ATOM 1050 N VAL A 69 -8.170 -11.045 -2.184 1.00 0.00 N ATOM 1051 CA VAL A 69 -9.383 -11.809 -1.948 1.00 0.00 C ATOM 1052 C VAL A 69 -9.309 -13.120 -2.720 1.00 0.00 C ATOM 1053 O VAL A 69 -8.876 -13.148 -3.874 1.00 0.00 O ATOM 1054 CB VAL A 69 -10.663 -11.029 -2.341 1.00 0.00 C ATOM 1055 CG1 VAL A 69 -10.790 -9.757 -1.513 1.00 0.00 C ATOM 1056 CG2 VAL A 69 -10.684 -10.701 -3.828 1.00 0.00 C ATOM 0 H VAL A 69 -8.242 -10.338 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.450 -12.004 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.518 -11.671 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.695 -9.223 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.845 -10.015 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.922 -9.121 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -11.596 -10.154 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.818 -10.089 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.654 -11.625 -4.405 1.00 0.00 H new ATOM 1066 N ILE A 70 -9.697 -14.207 -2.078 1.00 0.00 N ATOM 1067 CA ILE A 70 -9.613 -15.512 -2.703 1.00 0.00 C ATOM 1068 C ILE A 70 -10.773 -15.712 -3.676 1.00 0.00 C ATOM 1069 O ILE A 70 -11.945 -15.591 -3.314 1.00 0.00 O ATOM 1070 CB ILE A 70 -9.569 -16.656 -1.654 1.00 0.00 C ATOM 1071 CG1 ILE A 70 -9.418 -18.013 -2.346 1.00 0.00 C ATOM 1072 CG2 ILE A 70 -10.808 -16.642 -0.771 1.00 0.00 C ATOM 1073 CD1 ILE A 70 -8.118 -18.167 -3.107 1.00 0.00 C ATOM 0 H ILE A 70 -10.071 -14.211 -1.129 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.677 -15.551 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.701 -16.492 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.486 -18.802 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.251 -18.154 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.748 -17.454 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.868 -15.690 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.697 -16.772 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.082 -19.153 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.056 -17.401 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.279 -18.059 -2.420 1.00 0.00 H new ATOM 1085 N TYR A 71 -10.434 -15.976 -4.927 1.00 0.00 N ATOM 1086 CA TYR A 71 -11.437 -16.193 -5.951 1.00 0.00 C ATOM 1087 C TYR A 71 -11.986 -17.608 -5.851 1.00 0.00 C ATOM 1088 O TYR A 71 -11.478 -18.527 -6.492 1.00 0.00 O ATOM 1089 CB TYR A 71 -10.845 -15.954 -7.342 1.00 0.00 C ATOM 1090 CG TYR A 71 -10.237 -14.583 -7.517 1.00 0.00 C ATOM 1091 CD1 TYR A 71 -11.034 -13.474 -7.761 1.00 0.00 C ATOM 1092 CD2 TYR A 71 -8.862 -14.399 -7.437 1.00 0.00 C ATOM 1093 CE1 TYR A 71 -10.480 -12.222 -7.924 1.00 0.00 C ATOM 1094 CE2 TYR A 71 -8.301 -13.150 -7.599 1.00 0.00 C ATOM 1095 CZ TYR A 71 -9.116 -12.065 -7.840 1.00 0.00 C ATOM 1096 OH TYR A 71 -8.564 -10.819 -8.001 1.00 0.00 O ATOM 0 H TYR A 71 -9.471 -16.045 -5.256 1.00 0.00 H new ATOM 0 HA TYR A 71 -12.251 -15.485 -5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.082 -16.707 -7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -11.627 -16.093 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.106 -13.593 -7.824 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.223 -15.248 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.114 -11.369 -8.117 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.230 -13.023 -7.537 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.127 -10.152 -7.555 1.00 0.00 H new ATOM 1106 N GLY A 72 -13.000 -17.783 -5.021 1.00 0.00 N ATOM 1107 CA GLY A 72 -13.576 -19.093 -4.821 1.00 0.00 C ATOM 1108 C GLY A 72 -15.036 -19.031 -4.435 1.00 0.00 C ATOM 1109 O GLY A 72 -15.578 -17.950 -4.187 1.00 0.00 O ATOM 0 H GLY A 72 -13.436 -17.037 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.470 -19.676 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.020 -19.616 -4.043 1.00 0.00 H new ATOM 1113 N GLY A 73 -15.666 -20.190 -4.379 1.00 0.00 N ATOM 1114 CA GLY A 73 -17.065 -20.272 -4.037 1.00 0.00 C ATOM 1115 C GLY A 73 -17.515 -21.710 -3.970 1.00 0.00 C ATOM 1116 O GLY A 73 -16.672 -22.575 -3.651 1.00 0.00 O ATOM 1117 OXT GLY A 73 -18.695 -21.989 -4.249 1.00 0.00 O ATOM 0 H GLY A 73 -15.224 -21.090 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.239 -19.787 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.657 -19.735 -4.778 1.00 0.00 H new TER 1121 GLY A 73