USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 14 THR OG1 : rot 100:sc= 0.155 USER MOD Set 1.2: A 17 GLN : amide:sc= -0.881 K(o=-0.73,f=-0.17) USER MOD Single : A 1 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00184) USER MOD Single : A 2 ASN : amide:sc= -0.256 K(o=-0.26,f=-3.6!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 164:sc= 1.5 USER MOD Single : A 19 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0518 (180deg=-0.399) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= -1.49! USER MOD Single : A 42 HIS : no HE2:sc= 0.58 K(o=0.58,f=-8.1!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc=-0.00445 (180deg=-0.103) USER MOD Single : A 56 MET CE :methyl -161:sc= 0 (180deg=-0.0783) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 52:sc= 0.0549 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0355 (180deg=-0.311) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -47.625 -8.776 -13.821 1.00 20.00 N ATOM 2 CA MET A -7 -46.325 -9.416 -14.126 1.00 20.00 C ATOM 3 C MET A -7 -45.188 -8.655 -13.453 1.00 20.00 C ATOM 4 O MET A -7 -44.641 -7.712 -14.025 1.00 20.00 O ATOM 5 CB MET A -7 -46.088 -9.454 -15.641 1.00 20.00 C ATOM 6 CG MET A -7 -44.788 -10.143 -16.034 1.00 20.00 C ATOM 7 SD MET A -7 -44.454 -10.064 -17.805 1.00 20.00 S ATOM 8 CE MET A -7 -42.912 -10.974 -17.892 1.00 20.00 C ATOM 0 H1 MET A -7 -48.390 -9.305 -14.286 1.00 20.00 H new ATOM 0 H2 MET A -7 -47.779 -8.776 -12.793 1.00 20.00 H new ATOM 0 H3 MET A -7 -47.620 -7.796 -14.170 1.00 20.00 H new ATOM 0 HA MET A -7 -46.350 -10.436 -13.743 1.00 20.00 H new ATOM 0 HB2 MET A -7 -46.922 -9.969 -16.119 1.00 20.00 H new ATOM 0 HB3 MET A -7 -46.080 -8.434 -16.026 1.00 20.00 H new ATOM 0 HG2 MET A -7 -43.961 -9.682 -15.493 1.00 20.00 H new ATOM 0 HG3 MET A -7 -44.829 -11.187 -15.724 1.00 20.00 H new ATOM 0 HE1 MET A -7 -42.572 -11.015 -18.927 1.00 20.00 H new ATOM 0 HE2 MET A -7 -42.160 -10.474 -17.282 1.00 20.00 H new ATOM 0 HE3 MET A -7 -43.066 -11.987 -17.520 1.00 20.00 H new ATOM 20 N ASP A -6 -44.839 -9.064 -12.239 1.00 20.00 N ATOM 21 CA ASP A -6 -43.771 -8.412 -11.487 1.00 20.00 C ATOM 22 C ASP A -6 -43.424 -9.234 -10.250 1.00 20.00 C ATOM 23 O ASP A -6 -44.290 -9.896 -9.677 1.00 20.00 O ATOM 24 CB ASP A -6 -44.184 -6.987 -11.081 1.00 20.00 C ATOM 25 CG ASP A -6 -45.307 -6.960 -10.061 1.00 20.00 C ATOM 26 OD1 ASP A -6 -46.483 -7.083 -10.459 1.00 20.00 O ATOM 27 OD2 ASP A -6 -45.020 -6.801 -8.858 1.00 20.00 O ATOM 0 H ASP A -6 -45.280 -9.845 -11.753 1.00 20.00 H new ATOM 0 HA ASP A -6 -42.890 -8.345 -12.125 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -43.318 -6.467 -10.672 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -44.495 -6.438 -11.970 1.00 20.00 H new ATOM 32 N TYR A -5 -42.156 -9.202 -9.853 1.00 20.00 N ATOM 33 CA TYR A -5 -41.685 -9.972 -8.700 1.00 20.00 C ATOM 34 C TYR A -5 -40.579 -9.220 -7.964 1.00 20.00 C ATOM 35 O TYR A -5 -40.225 -8.100 -8.337 1.00 20.00 O ATOM 36 CB TYR A -5 -41.144 -11.342 -9.138 1.00 20.00 C ATOM 37 CG TYR A -5 -42.186 -12.276 -9.718 1.00 20.00 C ATOM 38 CD1 TYR A -5 -43.186 -12.820 -8.921 1.00 20.00 C ATOM 39 CD2 TYR A -5 -42.167 -12.616 -11.065 1.00 20.00 C ATOM 40 CE1 TYR A -5 -44.132 -13.674 -9.448 1.00 20.00 C ATOM 41 CE2 TYR A -5 -43.111 -13.472 -11.598 1.00 20.00 C ATOM 42 CZ TYR A -5 -44.090 -13.998 -10.785 1.00 20.00 C ATOM 43 OH TYR A -5 -45.033 -14.852 -11.312 1.00 20.00 O ATOM 0 H TYR A -5 -41.432 -8.650 -10.312 1.00 20.00 H new ATOM 0 HA TYR A -5 -42.536 -10.115 -8.034 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -40.360 -11.188 -9.880 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -40.679 -11.826 -8.279 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -43.223 -12.570 -7.871 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -41.401 -12.204 -11.706 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -44.903 -14.087 -8.814 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -43.081 -13.727 -12.647 1.00 20.00 H new ATOM 0 HH TYR A -5 -44.863 -14.977 -12.269 1.00 20.00 H new ATOM 53 N LYS A -4 -40.037 -9.859 -6.925 1.00 20.00 N ATOM 54 CA LYS A -4 -38.892 -9.335 -6.175 1.00 20.00 C ATOM 55 C LYS A -4 -39.238 -8.035 -5.453 1.00 20.00 C ATOM 56 O LYS A -4 -38.515 -7.040 -5.571 1.00 20.00 O ATOM 57 CB LYS A -4 -37.700 -9.100 -7.114 1.00 20.00 C ATOM 58 CG LYS A -4 -37.230 -10.346 -7.846 1.00 20.00 C ATOM 59 CD LYS A -4 -36.199 -10.007 -8.910 1.00 20.00 C ATOM 60 CE LYS A -4 -35.734 -11.251 -9.647 1.00 20.00 C ATOM 61 NZ LYS A -4 -34.810 -10.926 -10.764 1.00 20.00 N ATOM 0 H LYS A -4 -40.380 -10.755 -6.579 1.00 20.00 H new ATOM 0 HA LYS A -4 -38.625 -10.080 -5.426 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -37.974 -8.342 -7.848 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -36.869 -8.697 -6.535 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -36.801 -11.049 -7.132 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -38.083 -10.842 -8.309 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -36.626 -9.300 -9.621 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -35.344 -9.516 -8.446 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -35.235 -11.921 -8.947 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -36.600 -11.786 -10.037 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -34.518 -11.804 -11.239 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -35.294 -10.308 -11.446 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -33.971 -10.439 -10.390 1.00 20.00 H new ATOM 75 N ASP A -3 -40.333 -8.036 -4.703 1.00 20.00 N ATOM 76 CA ASP A -3 -40.749 -6.832 -3.981 1.00 20.00 C ATOM 77 C ASP A -3 -41.709 -7.143 -2.836 1.00 20.00 C ATOM 78 O ASP A -3 -42.008 -6.260 -2.030 1.00 20.00 O ATOM 79 CB ASP A -3 -41.419 -5.840 -4.934 1.00 20.00 C ATOM 80 CG ASP A -3 -42.813 -6.276 -5.332 1.00 20.00 C ATOM 81 OD1 ASP A -3 -42.934 -7.259 -6.087 1.00 20.00 O ATOM 82 OD2 ASP A -3 -43.795 -5.640 -4.891 1.00 20.00 O ATOM 0 H ASP A -3 -40.944 -8.843 -4.577 1.00 20.00 H new ATOM 0 HA ASP A -3 -39.844 -6.395 -3.558 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -41.469 -4.860 -4.459 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -40.806 -5.729 -5.829 1.00 20.00 H new ATOM 87 N ASP A -2 -42.197 -8.382 -2.763 1.00 20.00 N ATOM 88 CA ASP A -2 -43.159 -8.763 -1.724 1.00 20.00 C ATOM 89 C ASP A -2 -42.583 -8.494 -0.342 1.00 20.00 C ATOM 90 O ASP A -2 -43.061 -7.623 0.381 1.00 20.00 O ATOM 91 CB ASP A -2 -43.556 -10.239 -1.840 1.00 20.00 C ATOM 92 CG ASP A -2 -44.317 -10.555 -3.111 1.00 20.00 C ATOM 93 OD1 ASP A -2 -45.523 -10.236 -3.183 1.00 20.00 O ATOM 94 OD2 ASP A -2 -43.713 -11.139 -4.037 1.00 20.00 O ATOM 0 H ASP A -2 -41.946 -9.134 -3.404 1.00 20.00 H new ATOM 0 HA ASP A -2 -44.053 -8.156 -1.867 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -42.657 -10.854 -1.800 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -44.168 -10.512 -0.980 1.00 20.00 H new ATOM 99 N ASP A -1 -41.549 -9.235 0.017 1.00 20.00 N ATOM 100 CA ASP A -1 -40.843 -9.000 1.267 1.00 20.00 C ATOM 101 C ASP A -1 -39.366 -8.792 0.988 1.00 20.00 C ATOM 102 O ASP A -1 -38.534 -9.634 1.322 1.00 20.00 O ATOM 103 CB ASP A -1 -41.028 -10.161 2.249 1.00 20.00 C ATOM 104 CG ASP A -1 -42.452 -10.299 2.745 1.00 20.00 C ATOM 105 OD1 ASP A -1 -42.818 -9.616 3.729 1.00 20.00 O ATOM 106 OD2 ASP A -1 -43.211 -11.104 2.162 1.00 20.00 O ATOM 0 H ASP A -1 -41.178 -10.006 -0.539 1.00 20.00 H new ATOM 0 HA ASP A -1 -41.263 -8.105 1.727 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -40.727 -11.090 1.765 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -40.365 -10.017 3.102 1.00 20.00 H new ATOM 111 N ASP A 0 -39.046 -7.675 0.353 1.00 20.00 N ATOM 112 CA ASP A 0 -37.665 -7.366 0.014 1.00 20.00 C ATOM 113 C ASP A 0 -36.920 -6.862 1.245 1.00 20.00 C ATOM 114 O ASP A 0 -35.849 -7.366 1.579 1.00 20.00 O ATOM 115 CB ASP A 0 -37.596 -6.347 -1.134 1.00 20.00 C ATOM 116 CG ASP A 0 -38.122 -4.974 -0.761 1.00 20.00 C ATOM 117 OD1 ASP A 0 -39.260 -4.882 -0.255 1.00 20.00 O ATOM 118 OD2 ASP A 0 -37.400 -3.982 -0.975 1.00 20.00 O ATOM 0 H ASP A 0 -39.722 -6.969 0.062 1.00 20.00 H new ATOM 0 HA ASP A 0 -37.179 -8.280 -0.329 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -36.561 -6.253 -1.463 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -38.167 -6.728 -1.981 1.00 20.00 H new ATOM 123 N LYS A 1 -37.499 -5.888 1.933 1.00 20.00 N ATOM 124 CA LYS A 1 -36.933 -5.412 3.186 1.00 20.00 C ATOM 125 C LYS A 1 -37.339 -6.351 4.317 1.00 20.00 C ATOM 126 O LYS A 1 -36.614 -6.500 5.297 1.00 20.00 O ATOM 127 CB LYS A 1 -37.368 -3.966 3.470 1.00 20.00 C ATOM 128 CG LYS A 1 -38.870 -3.732 3.388 1.00 20.00 C ATOM 129 CD LYS A 1 -39.204 -2.251 3.475 1.00 20.00 C ATOM 130 CE LYS A 1 -40.694 -1.993 3.299 1.00 20.00 C ATOM 131 NZ LYS A 1 -41.493 -2.506 4.439 1.00 20.00 N ATOM 0 H LYS A 1 -38.356 -5.414 1.646 1.00 20.00 H new ATOM 0 HA LYS A 1 -35.846 -5.410 3.110 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -37.023 -3.685 4.465 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -36.871 -3.304 2.761 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -39.253 -4.139 2.452 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -39.368 -4.267 4.196 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -38.880 -1.862 4.440 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -38.649 -1.708 2.710 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -40.865 -0.922 3.191 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -41.036 -2.464 2.377 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -42.499 -2.292 4.282 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -41.366 -3.535 4.517 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -41.175 -2.050 5.318 1.00 20.00 H new ATOM 145 N ASN A 2 -38.502 -6.983 4.146 1.00 20.00 N ATOM 146 CA ASN A 2 -38.953 -8.084 5.005 1.00 20.00 C ATOM 147 C ASN A 2 -38.927 -7.717 6.489 1.00 20.00 C ATOM 148 O ASN A 2 -37.962 -8.020 7.199 1.00 20.00 O ATOM 149 CB ASN A 2 -38.095 -9.330 4.754 1.00 20.00 C ATOM 150 CG ASN A 2 -38.626 -10.567 5.459 1.00 20.00 C ATOM 151 OD1 ASN A 2 -39.469 -11.286 4.922 1.00 20.00 O ATOM 152 ND2 ASN A 2 -38.130 -10.834 6.657 1.00 20.00 N ATOM 0 H ASN A 2 -39.162 -6.746 3.405 1.00 20.00 H new ATOM 0 HA ASN A 2 -39.991 -8.293 4.745 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -38.047 -9.522 3.682 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -37.076 -9.137 5.089 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -38.445 -11.659 7.167 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -37.433 -10.215 7.070 1.00 20.00 H new ATOM 159 N ARG A 3 -39.997 -7.072 6.945 1.00 20.00 N ATOM 160 CA ARG A 3 -40.165 -6.725 8.353 1.00 20.00 C ATOM 161 C ARG A 3 -38.999 -5.882 8.856 1.00 20.00 C ATOM 162 O ARG A 3 -38.356 -6.212 9.854 1.00 20.00 O ATOM 163 CB ARG A 3 -40.318 -7.993 9.197 1.00 20.00 C ATOM 164 CG ARG A 3 -41.511 -8.846 8.795 1.00 20.00 C ATOM 165 CD ARG A 3 -41.561 -10.142 9.581 1.00 20.00 C ATOM 166 NE ARG A 3 -42.687 -10.980 9.177 1.00 20.00 N ATOM 167 CZ ARG A 3 -42.900 -12.209 9.642 1.00 20.00 C ATOM 168 NH1 ARG A 3 -42.063 -12.740 10.525 1.00 20.00 N ATOM 169 NH2 ARG A 3 -43.948 -12.905 9.225 1.00 20.00 N ATOM 0 H ARG A 3 -40.771 -6.776 6.350 1.00 20.00 H new ATOM 0 HA ARG A 3 -41.072 -6.129 8.450 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -39.409 -8.589 9.112 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -40.418 -7.713 10.246 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -42.431 -8.285 8.958 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -41.458 -9.068 7.729 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -40.630 -10.690 9.437 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -41.638 -9.919 10.645 1.00 20.00 H new ATOM 0 HE ARG A 3 -43.349 -10.602 8.499 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -41.256 -12.206 10.848 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -42.227 -13.682 10.881 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -44.593 -12.499 8.547 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -44.110 -13.847 9.582 1.00 20.00 H new ATOM 183 N ALA A 4 -38.740 -4.785 8.162 1.00 20.00 N ATOM 184 CA ALA A 4 -37.656 -3.884 8.520 1.00 20.00 C ATOM 185 C ALA A 4 -38.105 -2.883 9.581 1.00 20.00 C ATOM 186 O ALA A 4 -37.889 -1.676 9.449 1.00 20.00 O ATOM 187 CB ALA A 4 -37.143 -3.162 7.284 1.00 20.00 C ATOM 0 H ALA A 4 -39.271 -4.496 7.341 1.00 20.00 H new ATOM 0 HA ALA A 4 -36.843 -4.476 8.941 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -36.332 -2.491 7.565 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -36.776 -3.892 6.562 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -37.953 -2.585 6.837 1.00 20.00 H new ATOM 193 N LEU A 5 -38.739 -3.389 10.631 1.00 20.00 N ATOM 194 CA LEU A 5 -39.166 -2.554 11.746 1.00 20.00 C ATOM 195 C LEU A 5 -37.972 -2.258 12.640 1.00 20.00 C ATOM 196 O LEU A 5 -37.830 -2.844 13.717 1.00 20.00 O ATOM 197 CB LEU A 5 -40.274 -3.239 12.566 1.00 20.00 C ATOM 198 CG LEU A 5 -41.651 -3.375 11.892 1.00 20.00 C ATOM 199 CD1 LEU A 5 -42.156 -2.027 11.403 1.00 20.00 C ATOM 200 CD2 LEU A 5 -41.608 -4.380 10.750 1.00 20.00 C ATOM 0 H LEU A 5 -38.969 -4.377 10.734 1.00 20.00 H new ATOM 0 HA LEU A 5 -39.570 -1.625 11.345 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -39.929 -4.236 12.838 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -40.403 -2.683 13.494 1.00 20.00 H new ATOM 0 HG LEU A 5 -42.349 -3.747 12.642 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -43.130 -2.153 10.931 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -42.247 -1.344 12.248 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -41.453 -1.616 10.679 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -42.595 -4.454 10.293 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -40.886 -4.051 10.002 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -41.312 -5.356 11.135 1.00 20.00 H new ATOM 212 N SER A 6 -37.125 -1.346 12.177 1.00 20.00 N ATOM 213 CA SER A 6 -35.850 -1.060 12.821 1.00 20.00 C ATOM 214 C SER A 6 -34.981 -2.317 12.811 1.00 20.00 C ATOM 215 O SER A 6 -34.876 -3.020 13.818 1.00 20.00 O ATOM 216 CB SER A 6 -36.059 -0.548 14.253 1.00 20.00 C ATOM 217 OG SER A 6 -34.834 -0.133 14.840 1.00 20.00 O ATOM 0 H SER A 6 -37.303 -0.784 11.344 1.00 20.00 H new ATOM 0 HA SER A 6 -35.341 -0.273 12.265 1.00 20.00 H new ATOM 0 HB2 SER A 6 -36.761 0.286 14.244 1.00 20.00 H new ATOM 0 HB3 SER A 6 -36.507 -1.335 14.860 1.00 20.00 H new ATOM 0 HG SER A 6 -35.000 0.189 15.751 1.00 20.00 H new ATOM 223 N PRO A 7 -34.365 -2.626 11.657 1.00 20.00 N ATOM 224 CA PRO A 7 -33.544 -3.830 11.492 1.00 20.00 C ATOM 225 C PRO A 7 -32.193 -3.707 12.190 1.00 20.00 C ATOM 226 O PRO A 7 -31.144 -3.740 11.544 1.00 20.00 O ATOM 227 CB PRO A 7 -33.367 -3.930 9.974 1.00 20.00 C ATOM 228 CG PRO A 7 -33.475 -2.527 9.484 1.00 20.00 C ATOM 229 CD PRO A 7 -34.418 -1.818 10.420 1.00 20.00 C ATOM 0 HA PRO A 7 -34.009 -4.711 11.935 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -32.402 -4.366 9.716 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -34.132 -4.565 9.528 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -32.499 -2.043 9.477 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -33.851 -2.501 8.461 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -34.104 -0.790 10.601 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -35.428 -1.776 10.013 1.00 20.00 H new ATOM 237 N MET A 8 -32.246 -3.565 13.516 1.00 20.00 N ATOM 238 CA MET A 8 -31.059 -3.397 14.357 1.00 20.00 C ATOM 239 C MET A 8 -30.454 -2.012 14.179 1.00 20.00 C ATOM 240 O MET A 8 -30.444 -1.458 13.078 1.00 20.00 O ATOM 241 CB MET A 8 -30.009 -4.477 14.081 1.00 20.00 C ATOM 242 CG MET A 8 -30.399 -5.845 14.612 1.00 20.00 C ATOM 243 SD MET A 8 -30.680 -5.832 16.394 1.00 20.00 S ATOM 244 CE MET A 8 -31.138 -7.538 16.678 1.00 20.00 C ATOM 0 H MET A 8 -33.121 -3.563 14.040 1.00 20.00 H new ATOM 0 HA MET A 8 -31.383 -3.504 15.392 1.00 20.00 H new ATOM 0 HB2 MET A 8 -29.843 -4.546 13.006 1.00 20.00 H new ATOM 0 HB3 MET A 8 -29.063 -4.177 14.531 1.00 20.00 H new ATOM 0 HG2 MET A 8 -31.303 -6.185 14.106 1.00 20.00 H new ATOM 0 HG3 MET A 8 -29.613 -6.562 14.375 1.00 20.00 H new ATOM 0 HE1 MET A 8 -31.343 -7.688 17.738 1.00 20.00 H new ATOM 0 HE2 MET A 8 -32.030 -7.777 16.098 1.00 20.00 H new ATOM 0 HE3 MET A 8 -30.320 -8.190 16.371 1.00 20.00 H new ATOM 254 N VAL A 9 -29.975 -1.444 15.280 1.00 20.00 N ATOM 255 CA VAL A 9 -29.361 -0.124 15.258 1.00 20.00 C ATOM 256 C VAL A 9 -28.166 -0.088 14.311 1.00 20.00 C ATOM 257 O VAL A 9 -27.251 -0.913 14.405 1.00 20.00 O ATOM 258 CB VAL A 9 -28.927 0.338 16.667 1.00 20.00 C ATOM 259 CG1 VAL A 9 -30.146 0.630 17.528 1.00 20.00 C ATOM 260 CG2 VAL A 9 -28.042 -0.701 17.338 1.00 20.00 C ATOM 0 H VAL A 9 -30.001 -1.880 16.202 1.00 20.00 H new ATOM 0 HA VAL A 9 -30.122 0.567 14.896 1.00 20.00 H new ATOM 0 HB VAL A 9 -28.347 1.254 16.556 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -29.823 0.954 18.517 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -30.739 1.418 17.064 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -30.750 -0.272 17.621 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -27.753 -0.348 18.328 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -28.590 -1.639 17.433 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -27.149 -0.862 16.735 1.00 20.00 H new ATOM 270 N SER A 10 -28.203 0.861 13.390 1.00 20.00 N ATOM 271 CA SER A 10 -27.175 1.005 12.376 1.00 20.00 C ATOM 272 C SER A 10 -27.409 2.316 11.627 1.00 20.00 C ATOM 273 O SER A 10 -28.120 3.194 12.126 1.00 20.00 O ATOM 274 CB SER A 10 -27.209 -0.196 11.418 1.00 20.00 C ATOM 275 OG SER A 10 -26.110 -0.186 10.520 1.00 20.00 O ATOM 0 H SER A 10 -28.949 1.554 13.326 1.00 20.00 H new ATOM 0 HA SER A 10 -26.189 1.030 12.839 1.00 20.00 H new ATOM 0 HB2 SER A 10 -27.199 -1.121 11.994 1.00 20.00 H new ATOM 0 HB3 SER A 10 -28.141 -0.183 10.852 1.00 20.00 H new ATOM 0 HG SER A 10 -26.017 -1.070 10.107 1.00 20.00 H new ATOM 281 N GLU A 11 -26.812 2.459 10.452 1.00 20.00 N ATOM 282 CA GLU A 11 -27.036 3.633 9.621 1.00 20.00 C ATOM 283 C GLU A 11 -28.480 3.659 9.129 1.00 20.00 C ATOM 284 O GLU A 11 -28.827 3.004 8.145 1.00 20.00 O ATOM 285 CB GLU A 11 -26.077 3.643 8.431 1.00 20.00 C ATOM 286 CG GLU A 11 -24.611 3.617 8.825 1.00 20.00 C ATOM 287 CD GLU A 11 -23.691 3.679 7.627 1.00 20.00 C ATOM 288 OE1 GLU A 11 -23.357 2.612 7.067 1.00 20.00 O ATOM 289 OE2 GLU A 11 -23.304 4.796 7.228 1.00 20.00 O ATOM 0 H GLU A 11 -26.168 1.776 10.053 1.00 20.00 H new ATOM 0 HA GLU A 11 -26.849 4.522 10.223 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -26.289 2.781 7.798 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -26.267 4.533 7.831 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -24.400 4.458 9.485 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -24.406 2.708 9.391 1.00 20.00 H new ATOM 296 N PHE A 12 -29.315 4.425 9.816 1.00 20.00 N ATOM 297 CA PHE A 12 -30.746 4.468 9.534 1.00 20.00 C ATOM 298 C PHE A 12 -31.048 5.203 8.232 1.00 20.00 C ATOM 299 O PHE A 12 -32.186 5.219 7.766 1.00 20.00 O ATOM 300 CB PHE A 12 -31.491 5.126 10.700 1.00 20.00 C ATOM 301 CG PHE A 12 -30.950 6.478 11.092 1.00 20.00 C ATOM 302 CD1 PHE A 12 -31.405 7.632 10.472 1.00 20.00 C ATOM 303 CD2 PHE A 12 -29.986 6.593 12.084 1.00 20.00 C ATOM 304 CE1 PHE A 12 -30.910 8.869 10.832 1.00 20.00 C ATOM 305 CE2 PHE A 12 -29.489 7.828 12.447 1.00 20.00 C ATOM 306 CZ PHE A 12 -29.951 8.967 11.821 1.00 20.00 C ATOM 0 H PHE A 12 -29.023 5.032 10.582 1.00 20.00 H new ATOM 0 HA PHE A 12 -31.091 3.441 9.417 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -32.542 5.231 10.432 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -31.447 4.464 11.565 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -32.155 7.562 9.698 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -29.620 5.705 12.578 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -31.272 9.760 10.341 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -28.739 7.903 13.221 1.00 20.00 H new ATOM 0 HZ PHE A 12 -29.563 9.934 12.104 1.00 20.00 H new ATOM 316 N GLU A 13 -30.028 5.815 7.655 1.00 20.00 N ATOM 317 CA GLU A 13 -30.187 6.539 6.402 1.00 20.00 C ATOM 318 C GLU A 13 -30.259 5.581 5.213 1.00 20.00 C ATOM 319 O GLU A 13 -30.767 5.937 4.146 1.00 20.00 O ATOM 320 CB GLU A 13 -29.035 7.533 6.213 1.00 20.00 C ATOM 321 CG GLU A 13 -29.126 8.338 4.929 1.00 20.00 C ATOM 322 CD GLU A 13 -28.003 9.339 4.789 1.00 20.00 C ATOM 323 OE1 GLU A 13 -26.857 8.925 4.511 1.00 20.00 O ATOM 324 OE2 GLU A 13 -28.252 10.546 4.965 1.00 20.00 O ATOM 0 H GLU A 13 -29.081 5.826 8.033 1.00 20.00 H new ATOM 0 HA GLU A 13 -31.127 7.089 6.449 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.016 8.218 7.060 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -28.091 6.988 6.223 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -29.110 7.659 4.077 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -30.081 8.863 4.901 1.00 20.00 H new ATOM 331 N THR A 14 -29.778 4.362 5.397 1.00 20.00 N ATOM 332 CA THR A 14 -29.741 3.411 4.304 1.00 20.00 C ATOM 333 C THR A 14 -30.115 2.004 4.767 1.00 20.00 C ATOM 334 O THR A 14 -29.384 1.350 5.511 1.00 20.00 O ATOM 335 CB THR A 14 -28.363 3.404 3.601 1.00 20.00 C ATOM 336 OG1 THR A 14 -28.342 2.428 2.549 1.00 20.00 O ATOM 337 CG2 THR A 14 -27.229 3.132 4.580 1.00 20.00 C ATOM 0 H THR A 14 -29.412 4.013 6.283 1.00 20.00 H new ATOM 0 HA THR A 14 -30.487 3.735 3.579 1.00 20.00 H new ATOM 0 HB THR A 14 -28.210 4.397 3.178 1.00 20.00 H new ATOM 0 HG1 THR A 14 -28.484 2.873 1.687 1.00 20.00 H new ATOM 0 HG21 THR A 14 -26.279 3.136 4.046 1.00 20.00 H new ATOM 0 HG22 THR A 14 -27.217 3.906 5.347 1.00 20.00 H new ATOM 0 HG23 THR A 14 -27.378 2.159 5.049 1.00 20.00 H new ATOM 345 N ILE A 15 -31.281 1.555 4.337 1.00 20.00 N ATOM 346 CA ILE A 15 -31.726 0.202 4.608 1.00 20.00 C ATOM 347 C ILE A 15 -31.182 -0.740 3.540 1.00 20.00 C ATOM 348 O ILE A 15 -30.777 -1.864 3.830 1.00 20.00 O ATOM 349 CB ILE A 15 -33.269 0.111 4.641 1.00 20.00 C ATOM 350 CG1 ILE A 15 -33.845 1.048 5.706 1.00 20.00 C ATOM 351 CG2 ILE A 15 -33.709 -1.318 4.906 1.00 20.00 C ATOM 352 CD1 ILE A 15 -35.357 1.071 5.737 1.00 20.00 C ATOM 0 H ILE A 15 -31.940 2.113 3.795 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.348 -0.088 5.588 1.00 20.00 H new ATOM 0 HB ILE A 15 -33.650 0.421 3.668 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -33.474 0.744 6.685 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -33.478 2.058 5.526 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -34.798 -1.366 4.926 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -33.332 -1.967 4.116 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -33.313 -1.648 5.866 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -35.695 1.756 6.515 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -35.736 1.404 4.771 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -35.732 0.069 5.948 1.00 20.00 H new ATOM 364 N GLU A 16 -31.140 -0.243 2.307 1.00 20.00 N ATOM 365 CA GLU A 16 -30.698 -1.027 1.158 1.00 20.00 C ATOM 366 C GLU A 16 -29.286 -1.570 1.344 1.00 20.00 C ATOM 367 O GLU A 16 -29.033 -2.751 1.099 1.00 20.00 O ATOM 368 CB GLU A 16 -30.762 -0.180 -0.110 1.00 20.00 C ATOM 369 CG GLU A 16 -32.169 0.012 -0.644 1.00 20.00 C ATOM 370 CD GLU A 16 -32.716 -1.245 -1.285 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.437 -1.473 -2.480 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.434 -2.003 -0.607 1.00 20.00 O ATOM 0 H GLU A 16 -31.411 0.713 2.077 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.372 -1.879 1.067 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.324 0.797 0.094 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.151 -0.649 -0.881 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.826 0.317 0.170 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.171 0.820 -1.375 1.00 20.00 H new ATOM 379 N GLN A 17 -28.366 -0.714 1.779 1.00 20.00 N ATOM 380 CA GLN A 17 -26.988 -1.137 1.991 1.00 20.00 C ATOM 381 C GLN A 17 -26.911 -2.193 3.082 1.00 20.00 C ATOM 382 O GLN A 17 -26.258 -3.221 2.911 1.00 20.00 O ATOM 383 CB GLN A 17 -26.085 0.049 2.337 1.00 20.00 C ATOM 384 CG GLN A 17 -25.735 0.917 1.139 1.00 20.00 C ATOM 385 CD GLN A 17 -24.809 2.059 1.500 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.588 1.911 1.485 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.380 3.207 1.821 1.00 20.00 N ATOM 0 H GLN A 17 -28.548 0.267 1.990 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.631 -1.571 1.057 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.579 0.664 3.089 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.165 -0.325 2.786 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.265 0.300 0.373 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.651 1.319 0.706 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.397 3.288 1.821 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.804 4.012 2.068 1.00 20.00 H new ATOM 396 N GLU A 18 -27.609 -1.953 4.186 1.00 20.00 N ATOM 397 CA GLU A 18 -27.620 -2.895 5.297 1.00 20.00 C ATOM 398 C GLU A 18 -28.207 -4.231 4.856 1.00 20.00 C ATOM 399 O GLU A 18 -27.690 -5.291 5.206 1.00 20.00 O ATOM 400 CB GLU A 18 -28.402 -2.331 6.486 1.00 20.00 C ATOM 401 CG GLU A 18 -27.731 -1.134 7.143 1.00 20.00 C ATOM 402 CD GLU A 18 -26.325 -1.443 7.617 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.177 -2.103 8.668 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.358 -1.030 6.944 1.00 20.00 O ATOM 0 H GLU A 18 -28.173 -1.116 4.335 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.590 -3.056 5.616 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.397 -2.040 6.150 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.533 -3.117 7.230 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.698 -0.306 6.435 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.332 -0.805 7.990 1.00 20.00 H new ATOM 411 N ASN A 19 -29.273 -4.173 4.062 1.00 20.00 N ATOM 412 CA ASN A 19 -29.870 -5.380 3.502 1.00 20.00 C ATOM 413 C ASN A 19 -28.855 -6.114 2.637 1.00 20.00 C ATOM 414 O ASN A 19 -28.697 -7.326 2.750 1.00 20.00 O ATOM 415 CB ASN A 19 -31.120 -5.063 2.671 1.00 20.00 C ATOM 416 CG ASN A 19 -32.308 -4.611 3.504 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.143 -3.833 3.042 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.404 -5.104 4.729 1.00 20.00 N ATOM 0 H ASN A 19 -29.739 -3.306 3.793 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.170 -6.014 4.336 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.877 -4.284 1.948 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.402 -5.949 2.102 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.190 -4.841 5.324 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.692 -5.746 5.077 1.00 20.00 H new ATOM 425 N SER A 20 -28.145 -5.369 1.799 1.00 20.00 N ATOM 426 CA SER A 20 -27.148 -5.954 0.913 1.00 20.00 C ATOM 427 C SER A 20 -26.064 -6.667 1.719 1.00 20.00 C ATOM 428 O SER A 20 -25.652 -7.777 1.376 1.00 20.00 O ATOM 429 CB SER A 20 -26.530 -4.873 0.017 1.00 20.00 C ATOM 430 OG SER A 20 -25.645 -5.437 -0.939 1.00 20.00 O ATOM 0 H SER A 20 -28.242 -4.357 1.715 1.00 20.00 H new ATOM 0 HA SER A 20 -27.641 -6.690 0.278 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.322 -4.327 -0.496 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.992 -4.152 0.632 1.00 20.00 H new ATOM 0 HG SER A 20 -25.268 -4.724 -1.496 1.00 20.00 H new ATOM 436 N TYR A 21 -25.623 -6.039 2.806 1.00 20.00 N ATOM 437 CA TYR A 21 -24.608 -6.635 3.665 1.00 20.00 C ATOM 438 C TYR A 21 -25.140 -7.889 4.348 1.00 20.00 C ATOM 439 O TYR A 21 -24.433 -8.889 4.452 1.00 20.00 O ATOM 440 CB TYR A 21 -24.122 -5.641 4.722 1.00 20.00 C ATOM 441 CG TYR A 21 -23.241 -4.539 4.172 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.030 -4.836 3.558 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.609 -3.204 4.276 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.216 -3.837 3.064 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.801 -2.200 3.782 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.606 -2.521 3.179 1.00 20.00 C ATOM 447 OH TYR A 21 -20.797 -1.521 2.690 1.00 20.00 O ATOM 0 H TYR A 21 -25.951 -5.123 3.110 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.766 -6.908 3.029 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.988 -5.191 5.208 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.571 -6.184 5.490 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.721 -5.867 3.466 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.544 -2.947 4.752 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.278 -4.086 2.590 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.105 -1.167 3.868 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.219 -0.651 2.850 1.00 20.00 H new ATOM 457 N ASN A 22 -26.389 -7.832 4.801 1.00 20.00 N ATOM 458 CA ASN A 22 -27.002 -8.960 5.500 1.00 20.00 C ATOM 459 C ASN A 22 -27.255 -10.122 4.548 1.00 20.00 C ATOM 460 O ASN A 22 -26.877 -11.257 4.837 1.00 20.00 O ATOM 461 CB ASN A 22 -28.316 -8.549 6.180 1.00 20.00 C ATOM 462 CG ASN A 22 -28.117 -7.779 7.479 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.932 -7.881 8.400 1.00 20.00 O ATOM 464 ND2 ASN A 22 -27.047 -7.001 7.569 1.00 20.00 N ATOM 0 H ASN A 22 -26.996 -7.019 4.698 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.300 -9.282 6.269 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.896 -7.936 5.490 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.905 -9.443 6.384 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.877 -6.463 8.419 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.394 -6.940 6.788 1.00 20.00 H new ATOM 471 N GLU A 23 -27.878 -9.834 3.408 1.00 20.00 N ATOM 472 CA GLU A 23 -28.198 -10.865 2.421 1.00 20.00 C ATOM 473 C GLU A 23 -26.949 -11.609 1.968 1.00 20.00 C ATOM 474 O GLU A 23 -26.928 -12.843 1.934 1.00 20.00 O ATOM 475 CB GLU A 23 -28.903 -10.256 1.202 1.00 20.00 C ATOM 476 CG GLU A 23 -30.424 -10.281 1.276 1.00 20.00 C ATOM 477 CD GLU A 23 -30.985 -9.517 2.457 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.046 -10.088 3.567 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.394 -8.353 2.277 1.00 20.00 O ATOM 0 H GLU A 23 -28.172 -8.894 3.143 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.869 -11.575 2.904 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.574 -9.223 1.086 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.586 -10.794 0.308 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.831 -9.862 0.356 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.760 -11.316 1.331 1.00 20.00 H new ATOM 486 N TRP A 24 -25.910 -10.856 1.634 1.00 20.00 N ATOM 487 CA TRP A 24 -24.676 -11.445 1.138 1.00 20.00 C ATOM 488 C TRP A 24 -23.959 -12.220 2.238 1.00 20.00 C ATOM 489 O TRP A 24 -23.480 -13.333 2.014 1.00 20.00 O ATOM 490 CB TRP A 24 -23.758 -10.362 0.568 1.00 20.00 C ATOM 491 CG TRP A 24 -22.549 -10.913 -0.123 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.286 -11.016 0.387 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.491 -11.447 -1.449 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.448 -11.576 -0.545 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.164 -11.849 -1.681 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.435 -11.620 -2.466 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.758 -12.418 -2.885 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.029 -12.184 -3.661 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.701 -12.577 -3.862 1.00 20.00 C ATOM 0 H TRP A 24 -25.898 -9.838 1.698 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.932 -12.143 0.341 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.323 -9.750 -0.136 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.438 -9.705 1.376 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.990 -10.703 1.377 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.453 -11.759 -0.413 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.462 -11.319 -2.321 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.734 -12.723 -3.042 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.749 -12.324 -4.453 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -21.416 -13.014 -4.807 1.00 20.00 H new ATOM 510 N LEU A 25 -23.905 -11.641 3.432 1.00 20.00 N ATOM 511 CA LEU A 25 -23.196 -12.265 4.541 1.00 20.00 C ATOM 512 C LEU A 25 -23.899 -13.542 4.978 1.00 20.00 C ATOM 513 O LEU A 25 -23.261 -14.570 5.166 1.00 20.00 O ATOM 514 CB LEU A 25 -23.072 -11.299 5.724 1.00 20.00 C ATOM 515 CG LEU A 25 -22.236 -11.809 6.903 1.00 20.00 C ATOM 516 CD1 LEU A 25 -20.806 -12.102 6.465 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.248 -10.797 8.038 1.00 20.00 C ATOM 0 H LEU A 25 -24.341 -10.746 3.655 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.193 -12.519 4.197 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.634 -10.367 5.366 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.073 -11.063 6.085 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.680 -12.738 7.261 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.231 -12.463 7.318 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.813 -12.863 5.684 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.350 -11.190 6.079 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.650 -11.174 8.868 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.830 -9.853 7.688 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.273 -10.638 8.373 1.00 20.00 H new ATOM 529 N ARG A 26 -25.218 -13.476 5.111 1.00 20.00 N ATOM 530 CA ARG A 26 -26.005 -14.626 5.548 1.00 20.00 C ATOM 531 C ARG A 26 -25.895 -15.780 4.551 1.00 20.00 C ATOM 532 O ARG A 26 -25.915 -16.952 4.934 1.00 20.00 O ATOM 533 CB ARG A 26 -27.469 -14.224 5.732 1.00 20.00 C ATOM 534 CG ARG A 26 -28.371 -15.360 6.187 1.00 20.00 C ATOM 535 CD ARG A 26 -29.829 -14.936 6.195 1.00 20.00 C ATOM 536 NE ARG A 26 -30.247 -14.425 4.891 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.531 -13.146 4.648 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.474 -12.243 5.622 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.867 -12.764 3.428 1.00 20.00 N ATOM 0 H ARG A 26 -25.767 -12.638 4.923 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.606 -14.966 6.504 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.524 -13.416 6.461 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.848 -13.829 4.789 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.243 -16.217 5.525 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.078 -15.682 7.186 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.454 -15.785 6.471 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.981 -14.168 6.953 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.326 -15.088 4.120 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.211 -12.527 6.566 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -30.693 -11.266 5.426 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.909 -13.448 2.673 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.084 -11.785 3.242 1.00 20.00 H new ATOM 553 N ALA A 27 -25.775 -15.446 3.273 1.00 20.00 N ATOM 554 CA ALA A 27 -25.634 -16.455 2.235 1.00 20.00 C ATOM 555 C ALA A 27 -24.248 -17.080 2.279 1.00 20.00 C ATOM 556 O ALA A 27 -24.094 -18.295 2.154 1.00 20.00 O ATOM 557 CB ALA A 27 -25.895 -15.847 0.866 1.00 20.00 C ATOM 0 H ALA A 27 -25.773 -14.485 2.932 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.371 -17.238 2.416 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.786 -16.615 0.100 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.907 -15.444 0.834 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.179 -15.046 0.681 1.00 20.00 H new ATOM 563 N LYS A 28 -23.245 -16.241 2.480 1.00 20.00 N ATOM 564 CA LYS A 28 -21.862 -16.688 2.477 1.00 20.00 C ATOM 565 C LYS A 28 -21.515 -17.413 3.781 1.00 20.00 C ATOM 566 O LYS A 28 -20.787 -18.407 3.776 1.00 20.00 O ATOM 567 CB LYS A 28 -20.930 -15.492 2.259 1.00 20.00 C ATOM 568 CG LYS A 28 -19.462 -15.863 2.181 1.00 20.00 C ATOM 569 CD LYS A 28 -18.596 -14.644 1.925 1.00 20.00 C ATOM 570 CE LYS A 28 -17.115 -14.992 1.958 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.702 -15.531 3.281 1.00 20.00 N ATOM 0 H LYS A 28 -23.364 -15.242 2.648 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.728 -17.396 1.659 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.216 -14.984 1.338 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.072 -14.780 3.072 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.156 -16.340 3.112 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.311 -16.592 1.385 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.848 -14.215 0.955 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.808 -13.882 2.675 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.897 -15.726 1.183 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.528 -14.103 1.729 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.666 -15.486 3.366 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.137 -14.965 4.037 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.013 -16.520 3.366 1.00 20.00 H new ATOM 585 N VAL A 29 -22.061 -16.928 4.892 1.00 20.00 N ATOM 586 CA VAL A 29 -21.794 -17.517 6.201 1.00 20.00 C ATOM 587 C VAL A 29 -22.471 -18.883 6.332 1.00 20.00 C ATOM 588 O VAL A 29 -22.204 -19.636 7.269 1.00 20.00 O ATOM 589 CB VAL A 29 -22.253 -16.588 7.352 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.763 -16.627 7.527 1.00 20.00 C ATOM 591 CG2 VAL A 29 -21.548 -16.945 8.651 1.00 20.00 C ATOM 0 H VAL A 29 -22.692 -16.127 4.912 1.00 20.00 H new ATOM 0 HA VAL A 29 -20.715 -17.646 6.280 1.00 20.00 H new ATOM 0 HB VAL A 29 -21.977 -15.568 7.084 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.052 -15.964 8.343 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.245 -16.300 6.606 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.076 -17.645 7.758 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -21.887 -16.279 9.444 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.780 -17.976 8.919 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -20.471 -16.837 8.522 1.00 20.00 H new ATOM 601 N ALA A 30 -23.345 -19.200 5.383 1.00 20.00 N ATOM 602 CA ALA A 30 -23.977 -20.510 5.337 1.00 20.00 C ATOM 603 C ALA A 30 -22.969 -21.556 4.878 1.00 20.00 C ATOM 604 O ALA A 30 -23.131 -22.753 5.127 1.00 20.00 O ATOM 605 CB ALA A 30 -25.187 -20.487 4.416 1.00 20.00 C ATOM 0 H ALA A 30 -23.631 -18.567 4.636 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.320 -20.772 6.338 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.647 -21.475 4.394 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.910 -19.759 4.783 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -24.873 -20.211 3.409 1.00 20.00 H new ATOM 611 N THR A 31 -21.928 -21.091 4.201 1.00 20.00 N ATOM 612 CA THR A 31 -20.836 -21.949 3.783 1.00 20.00 C ATOM 613 C THR A 31 -19.766 -21.990 4.874 1.00 20.00 C ATOM 614 O THR A 31 -18.949 -22.907 4.934 1.00 20.00 O ATOM 615 CB THR A 31 -20.214 -21.436 2.468 1.00 20.00 C ATOM 616 OG1 THR A 31 -21.253 -21.045 1.555 1.00 20.00 O ATOM 617 CG2 THR A 31 -19.347 -22.504 1.817 1.00 20.00 C ATOM 0 H THR A 31 -21.820 -20.114 3.929 1.00 20.00 H new ATOM 0 HA THR A 31 -21.228 -22.952 3.616 1.00 20.00 H new ATOM 0 HB THR A 31 -19.587 -20.577 2.705 1.00 20.00 H new ATOM 0 HG1 THR A 31 -20.851 -20.719 0.723 1.00 20.00 H new ATOM 0 HG21 THR A 31 -18.922 -22.114 0.892 1.00 20.00 H new ATOM 0 HG22 THR A 31 -18.542 -22.783 2.497 1.00 20.00 H new ATOM 0 HG23 THR A 31 -19.955 -23.381 1.595 1.00 20.00 H new ATOM 625 N SER A 32 -19.788 -20.988 5.745 1.00 20.00 N ATOM 626 CA SER A 32 -18.818 -20.887 6.826 1.00 20.00 C ATOM 627 C SER A 32 -19.077 -21.950 7.891 1.00 20.00 C ATOM 628 O SER A 32 -20.217 -22.132 8.327 1.00 20.00 O ATOM 629 CB SER A 32 -18.881 -19.492 7.453 1.00 20.00 C ATOM 630 OG SER A 32 -18.739 -18.485 6.463 1.00 20.00 O ATOM 0 H SER A 32 -20.471 -20.231 5.722 1.00 20.00 H new ATOM 0 HA SER A 32 -17.823 -21.052 6.412 1.00 20.00 H new ATOM 0 HB2 SER A 32 -19.831 -19.365 7.973 1.00 20.00 H new ATOM 0 HB3 SER A 32 -18.093 -19.388 8.199 1.00 20.00 H new ATOM 0 HG SER A 32 -18.624 -17.614 6.897 1.00 20.00 H new ATOM 636 N LEU A 33 -18.013 -22.657 8.285 1.00 20.00 N ATOM 637 CA LEU A 33 -18.084 -23.688 9.325 1.00 20.00 C ATOM 638 C LEU A 33 -18.989 -24.842 8.906 1.00 20.00 C ATOM 639 O LEU A 33 -19.484 -25.594 9.747 1.00 20.00 O ATOM 640 CB LEU A 33 -18.589 -23.095 10.645 1.00 20.00 C ATOM 641 CG LEU A 33 -17.720 -21.992 11.253 1.00 20.00 C ATOM 642 CD1 LEU A 33 -18.362 -21.460 12.525 1.00 20.00 C ATOM 643 CD2 LEU A 33 -16.315 -22.504 11.541 1.00 20.00 C ATOM 0 H LEU A 33 -17.080 -22.531 7.893 1.00 20.00 H new ATOM 0 HA LEU A 33 -17.074 -24.073 9.467 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -19.590 -22.695 10.483 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -18.682 -23.902 11.372 1.00 20.00 H new ATOM 0 HG LEU A 33 -17.643 -21.179 10.531 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -17.735 -20.676 12.949 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -19.346 -21.052 12.293 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -18.466 -22.270 13.246 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -15.717 -21.702 11.973 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -16.368 -23.336 12.244 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -15.854 -22.842 10.613 1.00 20.00 H new ATOM 655 N ALA A 34 -19.204 -24.977 7.611 1.00 20.00 N ATOM 656 CA ALA A 34 -20.051 -26.031 7.086 1.00 20.00 C ATOM 657 C ALA A 34 -19.524 -26.523 5.748 1.00 20.00 C ATOM 658 O ALA A 34 -19.148 -25.723 4.891 1.00 20.00 O ATOM 659 CB ALA A 34 -21.483 -25.536 6.941 1.00 20.00 C ATOM 0 H ALA A 34 -18.801 -24.366 6.900 1.00 20.00 H new ATOM 0 HA ALA A 34 -20.039 -26.864 7.788 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -22.107 -26.338 6.546 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -21.862 -25.228 7.915 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -21.507 -24.687 6.258 1.00 20.00 H new ATOM 665 N ASP A 35 -19.486 -27.832 5.569 1.00 20.00 N ATOM 666 CA ASP A 35 -19.064 -28.408 4.301 1.00 20.00 C ATOM 667 C ASP A 35 -20.112 -29.405 3.806 1.00 20.00 C ATOM 668 O ASP A 35 -19.907 -30.619 3.849 1.00 20.00 O ATOM 669 CB ASP A 35 -17.697 -29.086 4.462 1.00 20.00 C ATOM 670 CG ASP A 35 -17.122 -29.597 3.154 1.00 20.00 C ATOM 671 OD1 ASP A 35 -16.563 -28.787 2.387 1.00 20.00 O ATOM 672 OD2 ASP A 35 -17.207 -30.817 2.894 1.00 20.00 O ATOM 0 H ASP A 35 -19.741 -28.515 6.282 1.00 20.00 H new ATOM 0 HA ASP A 35 -18.968 -27.615 3.560 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -16.998 -28.377 4.906 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -17.792 -29.919 5.159 1.00 20.00 H new ATOM 677 N PRO A 36 -21.273 -28.900 3.355 1.00 20.00 N ATOM 678 CA PRO A 36 -22.345 -29.722 2.816 1.00 20.00 C ATOM 679 C PRO A 36 -22.212 -29.917 1.306 1.00 20.00 C ATOM 680 O PRO A 36 -21.941 -31.024 0.838 1.00 20.00 O ATOM 681 CB PRO A 36 -23.612 -28.916 3.155 1.00 20.00 C ATOM 682 CG PRO A 36 -23.137 -27.590 3.680 1.00 20.00 C ATOM 683 CD PRO A 36 -21.667 -27.495 3.368 1.00 20.00 C ATOM 0 HA PRO A 36 -22.346 -30.729 3.232 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -24.237 -28.784 2.272 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -24.216 -29.435 3.899 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -23.684 -26.771 3.212 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -23.309 -27.516 4.754 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -21.483 -27.010 2.409 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -21.125 -26.925 4.123 1.00 20.00 H new ATOM 691 N ARG A 37 -22.398 -28.837 0.552 1.00 20.00 N ATOM 692 CA ARG A 37 -22.238 -28.870 -0.896 1.00 20.00 C ATOM 693 C ARG A 37 -21.514 -27.616 -1.385 1.00 20.00 C ATOM 694 O ARG A 37 -22.117 -26.765 -2.039 1.00 20.00 O ATOM 695 CB ARG A 37 -23.594 -28.967 -1.604 1.00 20.00 C ATOM 696 CG ARG A 37 -24.397 -30.212 -1.272 1.00 20.00 C ATOM 697 CD ARG A 37 -25.616 -30.337 -2.173 1.00 20.00 C ATOM 698 NE ARG A 37 -26.486 -29.165 -2.094 1.00 20.00 N ATOM 699 CZ ARG A 37 -27.252 -28.734 -3.097 1.00 20.00 C ATOM 700 NH1 ARG A 37 -27.250 -29.374 -4.261 1.00 20.00 N ATOM 701 NH2 ARG A 37 -28.015 -27.662 -2.932 1.00 20.00 N ATOM 0 H ARG A 37 -22.661 -27.924 0.924 1.00 20.00 H new ATOM 0 HA ARG A 37 -21.648 -29.754 -1.136 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -24.187 -28.090 -1.346 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -23.429 -28.934 -2.681 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -23.767 -31.095 -1.383 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -24.714 -30.176 -0.230 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -25.290 -30.476 -3.204 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -26.182 -31.226 -1.894 1.00 20.00 H new ATOM 0 HE ARG A 37 -26.509 -28.644 -1.217 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -26.662 -30.197 -4.389 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -27.837 -29.042 -5.026 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -28.015 -27.169 -2.039 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -28.602 -27.331 -3.698 1.00 20.00 H new ATOM 715 N PRO A 38 -20.220 -27.466 -1.064 1.00 20.00 N ATOM 716 CA PRO A 38 -19.424 -26.336 -1.537 1.00 20.00 C ATOM 717 C PRO A 38 -19.118 -26.475 -3.020 1.00 20.00 C ATOM 718 O PRO A 38 -18.278 -27.285 -3.415 1.00 20.00 O ATOM 719 CB PRO A 38 -18.132 -26.412 -0.709 1.00 20.00 C ATOM 720 CG PRO A 38 -18.394 -27.437 0.345 1.00 20.00 C ATOM 721 CD PRO A 38 -19.421 -28.368 -0.228 1.00 20.00 C ATOM 0 HA PRO A 38 -19.942 -25.384 -1.420 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -17.283 -26.697 -1.331 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -17.892 -25.445 -0.266 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -17.481 -27.974 0.602 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -18.758 -26.971 1.261 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -18.966 -29.168 -0.811 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -20.021 -28.842 0.549 1.00 20.00 H new ATOM 729 N ALA A 39 -19.815 -25.695 -3.836 1.00 20.00 N ATOM 730 CA ALA A 39 -19.684 -25.776 -5.283 1.00 20.00 C ATOM 731 C ALA A 39 -18.356 -25.200 -5.755 1.00 20.00 C ATOM 732 O ALA A 39 -18.291 -24.086 -6.275 1.00 20.00 O ATOM 733 CB ALA A 39 -20.847 -25.065 -5.960 1.00 20.00 C ATOM 0 H ALA A 39 -20.482 -24.993 -3.515 1.00 20.00 H new ATOM 0 HA ALA A 39 -19.705 -26.829 -5.563 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -20.735 -25.134 -7.042 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -21.784 -25.535 -5.661 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -20.856 -24.017 -5.662 1.00 20.00 H new ATOM 739 N ILE A 40 -17.297 -25.965 -5.551 1.00 20.00 N ATOM 740 CA ILE A 40 -15.975 -25.598 -6.020 1.00 20.00 C ATOM 741 C ILE A 40 -15.614 -26.451 -7.229 1.00 20.00 C ATOM 742 O ILE A 40 -15.200 -27.605 -7.094 1.00 20.00 O ATOM 743 CB ILE A 40 -14.907 -25.778 -4.924 1.00 20.00 C ATOM 744 CG1 ILE A 40 -15.318 -25.028 -3.654 1.00 20.00 C ATOM 745 CG2 ILE A 40 -13.556 -25.287 -5.423 1.00 20.00 C ATOM 746 CD1 ILE A 40 -14.370 -25.225 -2.493 1.00 20.00 C ATOM 0 H ILE A 40 -17.331 -26.856 -5.056 1.00 20.00 H new ATOM 0 HA ILE A 40 -15.996 -24.543 -6.293 1.00 20.00 H new ATOM 0 HB ILE A 40 -14.823 -26.838 -4.685 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -15.386 -23.964 -3.878 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -16.314 -25.355 -3.357 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -12.809 -25.419 -4.640 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -13.264 -25.859 -6.304 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -13.626 -24.231 -5.683 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -14.729 -24.663 -1.631 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -14.320 -26.284 -2.240 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -13.377 -24.870 -2.770 1.00 20.00 H new ATOM 758 N PRO A 41 -15.799 -25.904 -8.431 1.00 20.00 N ATOM 759 CA PRO A 41 -15.587 -26.640 -9.666 1.00 20.00 C ATOM 760 C PRO A 41 -14.133 -26.597 -10.135 1.00 20.00 C ATOM 761 O PRO A 41 -13.603 -25.525 -10.430 1.00 20.00 O ATOM 762 CB PRO A 41 -16.491 -25.889 -10.641 1.00 20.00 C ATOM 763 CG PRO A 41 -16.511 -24.476 -10.157 1.00 20.00 C ATOM 764 CD PRO A 41 -16.232 -24.517 -8.675 1.00 20.00 C ATOM 0 HA PRO A 41 -15.808 -27.703 -9.567 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -16.107 -25.950 -11.659 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -17.495 -26.314 -10.653 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -15.760 -23.880 -10.675 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -17.478 -24.013 -10.355 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -15.458 -23.802 -8.395 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -17.121 -24.269 -8.095 1.00 20.00 H new ATOM 772 N HIS A 42 -13.479 -27.758 -10.196 1.00 20.00 N ATOM 773 CA HIS A 42 -12.110 -27.810 -10.703 1.00 20.00 C ATOM 774 C HIS A 42 -12.060 -28.145 -12.200 1.00 20.00 C ATOM 775 O HIS A 42 -11.754 -27.278 -13.012 1.00 20.00 O ATOM 776 CB HIS A 42 -11.201 -28.744 -9.872 1.00 20.00 C ATOM 777 CG HIS A 42 -11.713 -30.138 -9.652 1.00 20.00 C ATOM 778 ND1 HIS A 42 -11.366 -31.203 -10.451 1.00 20.00 N ATOM 779 CD2 HIS A 42 -12.535 -30.640 -8.703 1.00 20.00 C ATOM 780 CE1 HIS A 42 -11.950 -32.297 -10.004 1.00 20.00 C ATOM 781 NE2 HIS A 42 -12.667 -31.983 -8.945 1.00 20.00 N ATOM 0 H HIS A 42 -13.866 -28.656 -9.907 1.00 20.00 H new ATOM 0 HA HIS A 42 -11.706 -26.804 -10.587 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -10.232 -28.808 -10.366 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -11.033 -28.283 -8.899 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -10.752 -31.154 -11.264 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -13.001 -30.085 -7.902 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -11.856 -33.284 -10.433 1.00 20.00 H new ATOM 790 N ASP A 43 -12.376 -29.384 -12.574 1.00 20.00 N ATOM 791 CA ASP A 43 -12.219 -29.810 -13.968 1.00 20.00 C ATOM 792 C ASP A 43 -13.541 -29.855 -14.721 1.00 20.00 C ATOM 793 O ASP A 43 -13.809 -29.019 -15.584 1.00 20.00 O ATOM 794 CB ASP A 43 -11.572 -31.195 -14.048 1.00 20.00 C ATOM 795 CG ASP A 43 -10.106 -31.200 -13.682 1.00 20.00 C ATOM 796 OD1 ASP A 43 -9.786 -31.358 -12.486 1.00 20.00 O ATOM 797 OD2 ASP A 43 -9.265 -31.073 -14.593 1.00 20.00 O ATOM 0 H ASP A 43 -12.737 -30.101 -11.945 1.00 20.00 H new ATOM 0 HA ASP A 43 -11.578 -29.063 -14.436 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -12.106 -31.875 -13.384 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -11.686 -31.582 -15.060 1.00 20.00 H new ATOM 802 N GLU A 44 -14.381 -30.813 -14.361 1.00 20.00 N ATOM 803 CA GLU A 44 -15.580 -31.104 -15.135 1.00 20.00 C ATOM 804 C GLU A 44 -16.734 -30.219 -14.720 1.00 20.00 C ATOM 805 O GLU A 44 -17.586 -29.875 -15.532 1.00 20.00 O ATOM 806 CB GLU A 44 -15.972 -32.571 -14.989 1.00 20.00 C ATOM 807 CG GLU A 44 -14.956 -33.538 -15.574 1.00 20.00 C ATOM 808 CD GLU A 44 -14.806 -33.393 -17.074 1.00 20.00 C ATOM 809 OE1 GLU A 44 -15.585 -34.028 -17.818 1.00 20.00 O ATOM 810 OE2 GLU A 44 -13.906 -32.652 -17.520 1.00 20.00 O ATOM 0 H GLU A 44 -14.256 -31.403 -13.538 1.00 20.00 H new ATOM 0 HA GLU A 44 -15.352 -30.899 -16.181 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -16.108 -32.798 -13.932 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -16.934 -32.731 -15.476 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -13.989 -33.374 -15.099 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -15.256 -34.559 -15.340 1.00 20.00 H new ATOM 817 N VAL A 45 -16.766 -29.846 -13.460 1.00 20.00 N ATOM 818 CA VAL A 45 -17.818 -28.976 -12.979 1.00 20.00 C ATOM 819 C VAL A 45 -17.568 -27.550 -13.459 1.00 20.00 C ATOM 820 O VAL A 45 -18.501 -26.823 -13.787 1.00 20.00 O ATOM 821 CB VAL A 45 -17.935 -29.013 -11.444 1.00 20.00 C ATOM 822 CG1 VAL A 45 -19.131 -28.202 -10.969 1.00 20.00 C ATOM 823 CG2 VAL A 45 -18.042 -30.447 -10.959 1.00 20.00 C ATOM 0 H VAL A 45 -16.084 -30.127 -12.756 1.00 20.00 H new ATOM 0 HA VAL A 45 -18.764 -29.336 -13.385 1.00 20.00 H new ATOM 0 HB VAL A 45 -17.034 -28.566 -11.023 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -19.191 -28.245 -9.881 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -19.017 -27.165 -11.286 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -20.044 -28.614 -11.399 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -18.124 -30.458 -9.872 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -18.926 -30.913 -11.395 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -17.153 -31.001 -11.261 1.00 20.00 H new ATOM 833 N GLU A 46 -16.297 -27.170 -13.548 1.00 20.00 N ATOM 834 CA GLU A 46 -15.943 -25.820 -13.977 1.00 20.00 C ATOM 835 C GLU A 46 -16.295 -25.613 -15.439 1.00 20.00 C ATOM 836 O GLU A 46 -16.780 -24.553 -15.820 1.00 20.00 O ATOM 837 CB GLU A 46 -14.457 -25.525 -13.751 1.00 20.00 C ATOM 838 CG GLU A 46 -14.074 -24.095 -14.111 1.00 20.00 C ATOM 839 CD GLU A 46 -12.614 -23.789 -13.861 1.00 20.00 C ATOM 840 OE1 GLU A 46 -11.790 -24.018 -14.771 1.00 20.00 O ATOM 841 OE2 GLU A 46 -12.284 -23.304 -12.761 1.00 20.00 O ATOM 0 H GLU A 46 -15.502 -27.771 -13.331 1.00 20.00 H new ATOM 0 HA GLU A 46 -16.521 -25.125 -13.368 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -14.210 -25.709 -12.705 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -13.860 -26.216 -14.346 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -14.301 -23.919 -15.162 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -14.688 -23.405 -13.532 1.00 20.00 H new ATOM 848 N ARG A 47 -16.072 -26.634 -16.252 1.00 20.00 N ATOM 849 CA ARG A 47 -16.398 -26.552 -17.666 1.00 20.00 C ATOM 850 C ARG A 47 -17.912 -26.479 -17.855 1.00 20.00 C ATOM 851 O ARG A 47 -18.396 -25.975 -18.866 1.00 20.00 O ATOM 852 CB ARG A 47 -15.808 -27.742 -18.427 1.00 20.00 C ATOM 853 CG ARG A 47 -16.483 -29.067 -18.126 1.00 20.00 C ATOM 854 CD ARG A 47 -15.706 -30.239 -18.699 1.00 20.00 C ATOM 855 NE ARG A 47 -15.580 -30.167 -20.149 1.00 20.00 N ATOM 856 CZ ARG A 47 -14.916 -31.060 -20.880 1.00 20.00 C ATOM 857 NH1 ARG A 47 -14.310 -32.089 -20.293 1.00 20.00 N ATOM 858 NH2 ARG A 47 -14.848 -30.917 -22.197 1.00 20.00 N ATOM 0 H ARG A 47 -15.669 -27.524 -15.959 1.00 20.00 H new ATOM 0 HA ARG A 47 -15.957 -25.642 -18.073 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -15.878 -27.546 -19.497 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -14.748 -27.824 -18.186 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -16.581 -29.188 -17.047 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -17.492 -29.063 -18.539 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -14.712 -30.266 -18.252 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -16.204 -31.170 -18.426 1.00 20.00 H new ATOM 0 HE ARG A 47 -16.026 -29.387 -20.632 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -14.353 -32.196 -19.280 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -13.802 -32.771 -20.857 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -15.304 -30.124 -22.648 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -14.340 -31.600 -22.759 1.00 20.00 H new ATOM 872 N ARG A 48 -18.653 -26.968 -16.862 1.00 20.00 N ATOM 873 CA ARG A 48 -20.109 -26.888 -16.878 1.00 20.00 C ATOM 874 C ARG A 48 -20.557 -25.486 -16.479 1.00 20.00 C ATOM 875 O ARG A 48 -21.459 -24.912 -17.090 1.00 20.00 O ATOM 876 CB ARG A 48 -20.722 -27.930 -15.937 1.00 20.00 C ATOM 877 CG ARG A 48 -20.528 -29.366 -16.398 1.00 20.00 C ATOM 878 CD ARG A 48 -21.095 -30.356 -15.393 1.00 20.00 C ATOM 879 NE ARG A 48 -20.881 -31.742 -15.807 1.00 20.00 N ATOM 880 CZ ARG A 48 -21.275 -32.800 -15.100 1.00 20.00 C ATOM 881 NH1 ARG A 48 -21.882 -32.636 -13.931 1.00 20.00 N ATOM 882 NH2 ARG A 48 -21.054 -34.025 -15.560 1.00 20.00 N ATOM 0 H ARG A 48 -18.266 -27.424 -16.036 1.00 20.00 H new ATOM 0 HA ARG A 48 -20.456 -27.098 -17.890 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -20.282 -27.814 -14.946 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -21.789 -27.732 -15.837 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -21.014 -29.508 -17.364 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -19.466 -29.562 -16.544 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -20.630 -30.192 -14.421 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -22.163 -30.176 -15.270 1.00 20.00 H new ATOM 0 HE ARG A 48 -20.401 -31.909 -16.691 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -22.049 -31.697 -13.570 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.182 -33.449 -13.393 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -20.582 -34.156 -16.455 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -21.356 -34.835 -15.019 1.00 20.00 H new ATOM 896 N MET A 49 -19.918 -24.937 -15.453 1.00 20.00 N ATOM 897 CA MET A 49 -20.166 -23.557 -15.045 1.00 20.00 C ATOM 898 C MET A 49 -19.747 -22.595 -16.150 1.00 20.00 C ATOM 899 O MET A 49 -20.377 -21.558 -16.363 1.00 20.00 O ATOM 900 CB MET A 49 -19.412 -23.234 -13.751 1.00 20.00 C ATOM 901 CG MET A 49 -20.166 -23.598 -12.479 1.00 20.00 C ATOM 902 SD MET A 49 -20.789 -25.289 -12.472 1.00 20.00 S ATOM 903 CE MET A 49 -21.484 -25.382 -10.825 1.00 20.00 C ATOM 0 H MET A 49 -19.224 -25.425 -14.887 1.00 20.00 H new ATOM 0 HA MET A 49 -21.234 -23.440 -14.863 1.00 20.00 H new ATOM 0 HB2 MET A 49 -18.459 -23.762 -13.758 1.00 20.00 H new ATOM 0 HB3 MET A 49 -19.185 -22.168 -13.733 1.00 20.00 H new ATOM 0 HG2 MET A 49 -19.506 -23.459 -11.623 1.00 20.00 H new ATOM 0 HG3 MET A 49 -21.002 -22.911 -12.352 1.00 20.00 H new ATOM 0 HE1 MET A 49 -21.911 -26.372 -10.666 1.00 20.00 H new ATOM 0 HE2 MET A 49 -20.701 -25.202 -10.089 1.00 20.00 H new ATOM 0 HE3 MET A 49 -22.264 -24.629 -10.716 1.00 20.00 H new ATOM 913 N ALA A 50 -18.683 -22.959 -16.856 1.00 20.00 N ATOM 914 CA ALA A 50 -18.192 -22.183 -17.982 1.00 20.00 C ATOM 915 C ALA A 50 -19.263 -22.033 -19.052 1.00 20.00 C ATOM 916 O ALA A 50 -19.359 -20.990 -19.696 1.00 20.00 O ATOM 917 CB ALA A 50 -16.951 -22.835 -18.567 1.00 20.00 C ATOM 0 H ALA A 50 -18.139 -23.800 -16.662 1.00 20.00 H new ATOM 0 HA ALA A 50 -17.933 -21.188 -17.621 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -16.593 -22.244 -19.410 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -16.174 -22.888 -17.804 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -17.195 -23.842 -18.907 1.00 20.00 H new ATOM 923 N GLU A 51 -20.072 -23.074 -19.222 1.00 20.00 N ATOM 924 CA GLU A 51 -21.175 -23.044 -20.175 1.00 20.00 C ATOM 925 C GLU A 51 -22.154 -21.934 -19.812 1.00 20.00 C ATOM 926 O GLU A 51 -22.645 -21.212 -20.680 1.00 20.00 O ATOM 927 CB GLU A 51 -21.906 -24.389 -20.197 1.00 20.00 C ATOM 928 CG GLU A 51 -21.065 -25.548 -20.706 1.00 20.00 C ATOM 929 CD GLU A 51 -20.635 -25.366 -22.144 1.00 20.00 C ATOM 930 OE1 GLU A 51 -21.408 -25.731 -23.054 1.00 20.00 O ATOM 931 OE2 GLU A 51 -19.521 -24.857 -22.374 1.00 20.00 O ATOM 0 H GLU A 51 -19.983 -23.952 -18.710 1.00 20.00 H new ATOM 0 HA GLU A 51 -20.765 -22.851 -21.166 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -22.249 -24.620 -19.188 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -22.794 -24.297 -20.823 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -20.181 -25.655 -20.077 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -21.635 -26.473 -20.615 1.00 20.00 H new ATOM 938 N ARG A 52 -22.413 -21.796 -18.519 1.00 20.00 N ATOM 939 CA ARG A 52 -23.313 -20.770 -18.021 1.00 20.00 C ATOM 940 C ARG A 52 -22.736 -19.381 -18.275 1.00 20.00 C ATOM 941 O ARG A 52 -23.421 -18.506 -18.797 1.00 20.00 O ATOM 942 CB ARG A 52 -23.568 -20.976 -16.525 1.00 20.00 C ATOM 943 CG ARG A 52 -24.339 -19.843 -15.868 1.00 20.00 C ATOM 944 CD ARG A 52 -24.555 -20.116 -14.391 1.00 20.00 C ATOM 945 NE ARG A 52 -25.149 -18.977 -13.697 1.00 20.00 N ATOM 946 CZ ARG A 52 -25.456 -18.980 -12.401 1.00 20.00 C ATOM 947 NH1 ARG A 52 -25.274 -20.078 -11.674 1.00 20.00 N ATOM 948 NH2 ARG A 52 -25.951 -17.889 -11.835 1.00 20.00 N ATOM 0 H ARG A 52 -22.008 -22.387 -17.793 1.00 20.00 H new ATOM 0 HA ARG A 52 -24.261 -20.850 -18.554 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -24.119 -21.906 -16.385 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -22.611 -21.093 -16.016 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -23.794 -18.907 -15.992 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -25.302 -19.719 -16.363 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -25.201 -20.986 -14.276 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -23.601 -20.364 -13.926 1.00 20.00 H new ATOM 0 HE ARG A 52 -25.340 -18.132 -14.235 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -24.898 -20.921 -12.109 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -25.510 -20.078 -10.682 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -26.097 -17.047 -12.392 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -26.186 -17.891 -10.842 1.00 20.00 H new ATOM 962 N PHE A 53 -21.468 -19.195 -17.930 1.00 20.00 N ATOM 963 CA PHE A 53 -20.810 -17.909 -18.115 1.00 20.00 C ATOM 964 C PHE A 53 -20.719 -17.556 -19.596 1.00 20.00 C ATOM 965 O PHE A 53 -20.796 -16.386 -19.971 1.00 20.00 O ATOM 966 CB PHE A 53 -19.415 -17.925 -17.486 1.00 20.00 C ATOM 967 CG PHE A 53 -19.425 -18.176 -16.001 1.00 20.00 C ATOM 968 CD1 PHE A 53 -20.281 -17.470 -15.167 1.00 20.00 C ATOM 969 CD2 PHE A 53 -18.581 -19.120 -15.439 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.294 -17.703 -13.805 1.00 20.00 C ATOM 971 CE2 PHE A 53 -18.589 -19.357 -14.076 1.00 20.00 C ATOM 972 CZ PHE A 53 -19.447 -18.647 -13.259 1.00 20.00 C ATOM 0 H PHE A 53 -20.876 -19.918 -17.521 1.00 20.00 H new ATOM 0 HA PHE A 53 -21.408 -17.146 -17.616 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -18.816 -18.695 -17.972 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -18.927 -16.970 -17.681 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -20.945 -16.729 -15.588 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -17.908 -19.678 -16.073 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.966 -17.147 -13.168 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -17.925 -20.096 -13.652 1.00 20.00 H new ATOM 0 HZ PHE A 53 -19.455 -18.830 -12.195 1.00 20.00 H new ATOM 982 N ALA A 54 -20.572 -18.577 -20.431 1.00 20.00 N ATOM 983 CA ALA A 54 -20.492 -18.388 -21.872 1.00 20.00 C ATOM 984 C ALA A 54 -21.784 -17.798 -22.426 1.00 20.00 C ATOM 985 O ALA A 54 -21.758 -16.808 -23.155 1.00 20.00 O ATOM 986 CB ALA A 54 -20.177 -19.705 -22.560 1.00 20.00 C ATOM 0 H ALA A 54 -20.506 -19.550 -20.131 1.00 20.00 H new ATOM 0 HA ALA A 54 -19.687 -17.681 -22.073 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -20.120 -19.548 -23.637 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -19.222 -20.085 -22.198 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -20.963 -20.428 -22.339 1.00 20.00 H new ATOM 992 N LYS A 55 -22.919 -18.391 -22.068 1.00 20.00 N ATOM 993 CA LYS A 55 -24.205 -17.908 -22.557 1.00 20.00 C ATOM 994 C LYS A 55 -24.628 -16.639 -21.820 1.00 20.00 C ATOM 995 O LYS A 55 -25.495 -15.898 -22.282 1.00 20.00 O ATOM 996 CB LYS A 55 -25.283 -19.002 -22.463 1.00 20.00 C ATOM 997 CG LYS A 55 -25.493 -19.601 -21.071 1.00 20.00 C ATOM 998 CD LYS A 55 -26.332 -18.713 -20.160 1.00 20.00 C ATOM 999 CE LYS A 55 -27.738 -18.486 -20.702 1.00 20.00 C ATOM 1000 NZ LYS A 55 -28.496 -19.757 -20.870 1.00 20.00 N ATOM 0 H LYS A 55 -22.975 -19.199 -21.447 1.00 20.00 H new ATOM 0 HA LYS A 55 -24.090 -17.655 -23.611 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -26.230 -18.585 -22.807 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -25.020 -19.807 -23.150 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -25.978 -20.572 -21.169 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -24.522 -19.775 -20.606 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -26.396 -19.169 -19.172 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -25.834 -17.751 -20.036 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -28.283 -17.828 -20.025 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -27.676 -17.974 -21.662 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -29.489 -19.542 -21.093 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -28.079 -20.310 -21.645 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -28.451 -20.307 -19.989 1.00 20.00 H new ATOM 1014 N MET A 56 -24.005 -16.400 -20.675 1.00 20.00 N ATOM 1015 CA MET A 56 -24.255 -15.193 -19.897 1.00 20.00 C ATOM 1016 C MET A 56 -23.491 -14.020 -20.501 1.00 20.00 C ATOM 1017 O MET A 56 -23.788 -12.854 -20.230 1.00 20.00 O ATOM 1018 CB MET A 56 -23.841 -15.408 -18.438 1.00 20.00 C ATOM 1019 CG MET A 56 -24.172 -14.244 -17.515 1.00 20.00 C ATOM 1020 SD MET A 56 -23.646 -14.543 -15.817 1.00 20.00 S ATOM 1021 CE MET A 56 -24.252 -13.060 -15.019 1.00 20.00 C ATOM 0 H MET A 56 -23.318 -17.030 -20.261 1.00 20.00 H new ATOM 0 HA MET A 56 -25.321 -14.968 -19.923 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.332 -16.306 -18.062 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.767 -15.592 -18.401 1.00 20.00 H new ATOM 0 HG2 MET A 56 -23.691 -13.340 -17.888 1.00 20.00 H new ATOM 0 HG3 MET A 56 -25.247 -14.064 -17.533 1.00 20.00 H new ATOM 0 HE1 MET A 56 -23.734 -12.920 -14.070 1.00 20.00 H new ATOM 0 HE2 MET A 56 -24.069 -12.200 -15.663 1.00 20.00 H new ATOM 0 HE3 MET A 56 -25.323 -13.156 -14.838 1.00 20.00 H new ATOM 1031 N ARG A 57 -22.506 -14.343 -21.330 1.00 20.00 N ATOM 1032 CA ARG A 57 -21.713 -13.335 -22.017 1.00 20.00 C ATOM 1033 C ARG A 57 -22.581 -12.599 -23.033 1.00 20.00 C ATOM 1034 O ARG A 57 -22.372 -11.417 -23.308 1.00 20.00 O ATOM 1035 CB ARG A 57 -20.513 -13.990 -22.704 1.00 20.00 C ATOM 1036 CG ARG A 57 -19.543 -13.005 -23.333 1.00 20.00 C ATOM 1037 CD ARG A 57 -18.349 -13.723 -23.944 1.00 20.00 C ATOM 1038 NE ARG A 57 -18.744 -14.622 -25.029 1.00 20.00 N ATOM 1039 CZ ARG A 57 -18.308 -15.876 -25.163 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -17.485 -16.406 -24.265 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -18.700 -16.604 -26.200 1.00 20.00 N ATOM 0 H ARG A 57 -22.237 -15.304 -21.543 1.00 20.00 H new ATOM 0 HA ARG A 57 -21.340 -12.613 -21.290 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -19.976 -14.596 -21.974 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -20.876 -14.669 -23.476 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -20.055 -12.427 -24.102 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -19.198 -12.298 -22.579 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -17.639 -12.988 -24.323 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -17.834 -14.293 -23.170 1.00 20.00 H new ATOM 0 HE ARG A 57 -19.395 -14.267 -25.729 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -17.180 -15.853 -23.464 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -17.158 -17.366 -24.377 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -19.333 -16.205 -26.893 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -18.368 -17.563 -26.305 1.00 20.00 H new ATOM 1055 N LYS A 58 -23.570 -13.302 -23.564 1.00 20.00 N ATOM 1056 CA LYS A 58 -24.515 -12.710 -24.498 1.00 20.00 C ATOM 1057 C LYS A 58 -25.760 -12.241 -23.760 1.00 20.00 C ATOM 1058 O LYS A 58 -26.388 -13.024 -23.049 1.00 20.00 O ATOM 1059 CB LYS A 58 -24.910 -13.717 -25.577 1.00 20.00 C ATOM 1060 CG LYS A 58 -23.760 -14.150 -26.468 1.00 20.00 C ATOM 1061 CD LYS A 58 -24.213 -15.188 -27.480 1.00 20.00 C ATOM 1062 CE LYS A 58 -23.097 -15.556 -28.440 1.00 20.00 C ATOM 1063 NZ LYS A 58 -23.521 -16.598 -29.407 1.00 20.00 N ATOM 0 H LYS A 58 -23.739 -14.288 -23.363 1.00 20.00 H new ATOM 0 HA LYS A 58 -24.033 -11.855 -24.973 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -25.337 -14.598 -25.098 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -25.693 -13.281 -26.198 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -23.353 -13.283 -26.989 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -22.957 -14.560 -25.856 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -24.554 -16.082 -26.958 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -25.064 -14.803 -28.041 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -22.776 -14.666 -28.982 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -22.236 -15.913 -27.876 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -22.731 -16.822 -30.045 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -23.803 -17.456 -28.891 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -24.327 -16.248 -29.963 1.00 20.00 H new ATOM 1077 N GLU A 59 -26.096 -10.962 -23.934 1.00 20.00 N ATOM 1078 CA GLU A 59 -27.271 -10.352 -23.302 1.00 20.00 C ATOM 1079 C GLU A 59 -27.133 -10.312 -21.779 1.00 20.00 C ATOM 1080 O GLU A 59 -27.275 -11.328 -21.095 1.00 20.00 O ATOM 1081 CB GLU A 59 -28.555 -11.088 -23.699 1.00 20.00 C ATOM 1082 CG GLU A 59 -28.877 -10.999 -25.183 1.00 20.00 C ATOM 1083 CD GLU A 59 -28.978 -9.569 -25.673 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -29.970 -8.883 -25.335 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -28.071 -9.123 -26.410 1.00 20.00 O ATOM 0 H GLU A 59 -25.562 -10.318 -24.517 1.00 20.00 H new ATOM 0 HA GLU A 59 -27.334 -9.325 -23.663 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -28.463 -12.137 -23.418 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -29.389 -10.678 -23.130 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -28.105 -11.520 -25.750 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -29.818 -11.513 -25.378 1.00 20.00 H new ATOM 1092 N ARG A 60 -26.859 -9.127 -21.248 1.00 20.00 N ATOM 1093 CA ARG A 60 -26.678 -8.960 -19.815 1.00 20.00 C ATOM 1094 C ARG A 60 -28.026 -8.812 -19.115 1.00 20.00 C ATOM 1095 O ARG A 60 -28.403 -9.650 -18.295 1.00 20.00 O ATOM 1096 CB ARG A 60 -25.795 -7.742 -19.532 1.00 20.00 C ATOM 1097 CG ARG A 60 -25.424 -7.569 -18.064 1.00 20.00 C ATOM 1098 CD ARG A 60 -24.719 -8.803 -17.514 1.00 20.00 C ATOM 1099 NE ARG A 60 -23.635 -9.247 -18.389 1.00 20.00 N ATOM 1100 CZ ARG A 60 -22.586 -9.956 -17.984 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -22.449 -10.284 -16.706 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -21.667 -10.331 -18.863 1.00 20.00 N ATOM 0 H ARG A 60 -26.758 -8.269 -21.790 1.00 20.00 H new ATOM 0 HA ARG A 60 -26.185 -9.850 -19.424 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -24.880 -7.826 -20.119 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -26.312 -6.845 -19.873 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -24.777 -6.699 -17.952 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -26.324 -7.374 -17.481 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -24.319 -8.582 -16.524 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -25.441 -9.610 -17.393 1.00 20.00 H new ATOM 0 HE ARG A 60 -23.687 -8.996 -19.376 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -23.151 -9.992 -16.026 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -21.641 -10.828 -16.403 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -21.767 -10.075 -19.845 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -20.860 -10.875 -18.557 1.00 20.00 H new ATOM 1116 N SER A 61 -28.752 -7.756 -19.449 1.00 20.00 N ATOM 1117 CA SER A 61 -30.037 -7.485 -18.825 1.00 20.00 C ATOM 1118 C SER A 61 -30.908 -6.610 -19.724 1.00 20.00 C ATOM 1119 O SER A 61 -30.865 -5.379 -19.653 1.00 20.00 O ATOM 1120 CB SER A 61 -29.819 -6.818 -17.462 1.00 20.00 C ATOM 1121 OG SER A 61 -28.841 -5.793 -17.545 1.00 20.00 O ATOM 0 H SER A 61 -28.472 -7.071 -20.151 1.00 20.00 H new ATOM 0 HA SER A 61 -30.561 -8.429 -18.677 1.00 20.00 H new ATOM 0 HB2 SER A 61 -30.760 -6.399 -17.104 1.00 20.00 H new ATOM 0 HB3 SER A 61 -29.505 -7.566 -16.734 1.00 20.00 H new ATOM 0 HG SER A 61 -29.072 -5.179 -18.273 1.00 20.00 H new ATOM 1127 N LYS A 62 -31.699 -7.245 -20.578 1.00 20.00 N ATOM 1128 CA LYS A 62 -32.592 -6.510 -21.457 1.00 20.00 C ATOM 1129 C LYS A 62 -33.884 -6.178 -20.721 1.00 20.00 C ATOM 1130 O LYS A 62 -34.885 -6.887 -20.841 1.00 20.00 O ATOM 1131 CB LYS A 62 -32.889 -7.309 -22.727 1.00 20.00 C ATOM 1132 CG LYS A 62 -33.585 -6.491 -23.803 1.00 20.00 C ATOM 1133 CD LYS A 62 -33.843 -7.313 -25.051 1.00 20.00 C ATOM 1134 CE LYS A 62 -34.417 -6.462 -26.173 1.00 20.00 C ATOM 1135 NZ LYS A 62 -33.476 -5.392 -26.603 1.00 20.00 N ATOM 0 H LYS A 62 -31.739 -8.259 -20.679 1.00 20.00 H new ATOM 0 HA LYS A 62 -32.102 -5.582 -21.752 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -31.955 -7.703 -23.127 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -33.512 -8.166 -22.471 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -34.530 -6.109 -23.416 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -32.972 -5.626 -24.057 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -32.913 -7.774 -25.383 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -34.534 -8.123 -24.818 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -34.655 -7.099 -27.025 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -35.352 -6.010 -25.842 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -33.766 -5.028 -27.533 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -33.490 -4.618 -25.909 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -32.514 -5.781 -26.668 1.00 20.00 H new ATOM 1149 N GLN A 63 -33.843 -5.115 -19.937 1.00 20.00 N ATOM 1150 CA GLN A 63 -34.998 -4.679 -19.175 1.00 20.00 C ATOM 1151 C GLN A 63 -35.015 -3.160 -19.087 1.00 20.00 C ATOM 1152 O GLN A 63 -36.065 -2.559 -19.387 1.00 20.00 O ATOM 1153 CB GLN A 63 -35.009 -5.313 -17.777 1.00 20.00 C ATOM 1154 CG GLN A 63 -33.787 -5.002 -16.930 1.00 20.00 C ATOM 1155 CD GLN A 63 -33.833 -5.684 -15.574 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -34.395 -6.773 -15.429 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -33.254 -5.044 -14.573 1.00 20.00 N ATOM 1158 OXT GLN A 63 -33.962 -2.567 -18.773 1.00 20.00 O ATOM 0 H GLN A 63 -33.014 -4.534 -19.812 1.00 20.00 H new ATOM 0 HA GLN A 63 -35.900 -5.009 -19.689 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -35.898 -4.974 -17.246 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -35.095 -6.394 -17.884 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -32.890 -5.318 -17.462 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -33.711 -3.924 -16.789 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -32.800 -4.145 -14.737 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -33.261 -5.449 -13.637 1.00 20.00 H new TER 1167 GLN A 63