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 19 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Set 1.2: A 56 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 167:sc= -0.0507 (180deg=-0.226) USER MOD Single : A 2 ASN : amide:sc= -2.99! C(o=-3!,f=-5.1!) 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 163:sc= -0.102 (180deg=-0.465) USER MOD Single : A -7 MET N :NH3+ -130:sc= 0.0105 (180deg=-0.182) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 11:sc= 0.527 USER MOD Single : A 17 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.5) USER MOD Single : A 20 SER OG : rot -91:sc= 1.28 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0692 (180deg=-0.464) USER MOD Single : A 31 THR OG1 : rot -36:sc= 1.03 USER MOD Single : A 32 SER OG : rot -49:sc= 0.115 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -0.636 (180deg=-0.776) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.604 K(o=0.6,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -54.165 14.611 -2.222 1.00 20.00 N ATOM 2 CA MET A -7 -52.987 15.119 -1.482 1.00 20.00 C ATOM 3 C MET A -7 -52.024 13.980 -1.152 1.00 20.00 C ATOM 4 O MET A -7 -52.086 13.403 -0.064 1.00 20.00 O ATOM 5 CB MET A -7 -53.432 15.809 -0.188 1.00 20.00 C ATOM 6 CG MET A -7 -54.240 17.077 -0.411 1.00 20.00 C ATOM 7 SD MET A -7 -54.853 17.789 1.130 1.00 20.00 S ATOM 8 CE MET A -7 -53.314 18.194 1.952 1.00 20.00 C ATOM 0 H1 MET A -7 -54.318 15.191 -3.072 1.00 20.00 H new ATOM 0 H2 MET A -7 -54.000 13.623 -2.502 1.00 20.00 H new ATOM 0 H3 MET A -7 -55.006 14.662 -1.613 1.00 20.00 H new ATOM 0 HA MET A -7 -52.472 15.841 -2.116 1.00 20.00 H new ATOM 0 HB2 MET A -7 -54.027 15.109 0.399 1.00 20.00 H new ATOM 0 HB3 MET A -7 -52.550 16.052 0.404 1.00 20.00 H new ATOM 0 HG2 MET A -7 -53.621 17.812 -0.926 1.00 20.00 H new ATOM 0 HG3 MET A -7 -55.083 16.856 -1.065 1.00 20.00 H new ATOM 0 HE1 MET A -7 -53.508 18.900 2.759 1.00 20.00 H new ATOM 0 HE2 MET A -7 -52.871 17.287 2.362 1.00 20.00 H new ATOM 0 HE3 MET A -7 -52.626 18.642 1.235 1.00 20.00 H new ATOM 20 N ASP A -6 -51.143 13.662 -2.104 1.00 20.00 N ATOM 21 CA ASP A -6 -50.130 12.614 -1.931 1.00 20.00 C ATOM 22 C ASP A -6 -50.756 11.285 -1.532 1.00 20.00 C ATOM 23 O ASP A -6 -50.652 10.858 -0.377 1.00 20.00 O ATOM 24 CB ASP A -6 -49.072 13.019 -0.894 1.00 20.00 C ATOM 25 CG ASP A -6 -48.048 13.991 -1.443 1.00 20.00 C ATOM 26 OD1 ASP A -6 -47.103 13.544 -2.126 1.00 20.00 O ATOM 27 OD2 ASP A -6 -48.172 15.207 -1.186 1.00 20.00 O ATOM 0 H ASP A -6 -51.110 14.121 -3.014 1.00 20.00 H new ATOM 0 HA ASP A -6 -49.643 12.490 -2.898 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -49.568 13.469 -0.034 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -48.561 12.125 -0.536 1.00 20.00 H new ATOM 32 N TYR A -5 -51.406 10.632 -2.484 1.00 20.00 N ATOM 33 CA TYR A -5 -52.003 9.328 -2.235 1.00 20.00 C ATOM 34 C TYR A -5 -50.935 8.243 -2.283 1.00 20.00 C ATOM 35 O TYR A -5 -50.682 7.649 -3.332 1.00 20.00 O ATOM 36 CB TYR A -5 -53.113 9.023 -3.250 1.00 20.00 C ATOM 37 CG TYR A -5 -54.327 9.915 -3.114 1.00 20.00 C ATOM 38 CD1 TYR A -5 -55.332 9.614 -2.202 1.00 20.00 C ATOM 39 CD2 TYR A -5 -54.472 11.054 -3.896 1.00 20.00 C ATOM 40 CE1 TYR A -5 -56.445 10.423 -2.074 1.00 20.00 C ATOM 41 CE2 TYR A -5 -55.580 11.867 -3.773 1.00 20.00 C ATOM 42 CZ TYR A -5 -56.564 11.549 -2.860 1.00 20.00 C ATOM 43 OH TYR A -5 -57.671 12.359 -2.736 1.00 20.00 O ATOM 0 H TYR A -5 -51.533 10.982 -3.433 1.00 20.00 H new ATOM 0 HA TYR A -5 -52.450 9.346 -1.241 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -52.709 9.126 -4.257 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -53.422 7.984 -3.135 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -55.241 8.733 -1.583 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -53.704 11.307 -4.612 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -57.218 10.174 -1.362 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -55.677 12.749 -4.389 1.00 20.00 H new ATOM 0 HH TYR A -5 -57.598 13.110 -3.361 1.00 20.00 H new ATOM 53 N LYS A -4 -50.294 8.007 -1.150 1.00 20.00 N ATOM 54 CA LYS A -4 -49.275 6.977 -1.042 1.00 20.00 C ATOM 55 C LYS A -4 -49.645 5.982 0.049 1.00 20.00 C ATOM 56 O LYS A -4 -49.989 6.373 1.164 1.00 20.00 O ATOM 57 CB LYS A -4 -47.902 7.604 -0.762 1.00 20.00 C ATOM 58 CG LYS A -4 -47.873 8.530 0.447 1.00 20.00 C ATOM 59 CD LYS A -4 -46.496 9.146 0.640 1.00 20.00 C ATOM 60 CE LYS A -4 -46.472 10.104 1.820 1.00 20.00 C ATOM 61 NZ LYS A -4 -45.151 10.773 1.971 1.00 20.00 N ATOM 0 H LYS A -4 -50.464 8.520 -0.285 1.00 20.00 H new ATOM 0 HA LYS A -4 -49.217 6.444 -1.991 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -47.175 6.806 -0.612 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -47.584 8.164 -1.642 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -48.613 9.321 0.320 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -48.153 7.973 1.341 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -45.762 8.356 0.797 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -46.204 9.677 -0.266 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -47.247 10.859 1.689 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -46.708 9.559 2.734 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -45.179 11.417 2.787 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -44.414 10.055 2.122 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -44.936 11.315 1.110 1.00 20.00 H new ATOM 75 N ASP A -3 -49.587 4.701 -0.281 1.00 20.00 N ATOM 76 CA ASP A -3 -49.973 3.647 0.655 1.00 20.00 C ATOM 77 C ASP A -3 -49.474 2.296 0.169 1.00 20.00 C ATOM 78 O ASP A -3 -48.810 1.566 0.902 1.00 20.00 O ATOM 79 CB ASP A -3 -51.496 3.603 0.833 1.00 20.00 C ATOM 80 CG ASP A -3 -51.941 2.482 1.756 1.00 20.00 C ATOM 81 OD1 ASP A -3 -51.614 2.529 2.962 1.00 20.00 O ATOM 82 OD2 ASP A -3 -52.624 1.548 1.282 1.00 20.00 O ATOM 0 H ASP A -3 -49.276 4.362 -1.191 1.00 20.00 H new ATOM 0 HA ASP A -3 -49.516 3.871 1.619 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -51.840 4.557 1.233 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -51.969 3.477 -0.141 1.00 20.00 H new ATOM 87 N ASP A -2 -49.794 1.974 -1.074 1.00 20.00 N ATOM 88 CA ASP A -2 -49.345 0.728 -1.677 1.00 20.00 C ATOM 89 C ASP A -2 -48.038 0.956 -2.413 1.00 20.00 C ATOM 90 O ASP A -2 -46.995 0.421 -2.033 1.00 20.00 O ATOM 91 CB ASP A -2 -50.403 0.171 -2.636 1.00 20.00 C ATOM 92 CG ASP A -2 -49.928 -1.068 -3.371 1.00 20.00 C ATOM 93 OD1 ASP A -2 -49.319 -0.925 -4.449 1.00 20.00 O ATOM 94 OD2 ASP A -2 -50.169 -2.190 -2.873 1.00 20.00 O ATOM 0 H ASP A -2 -50.363 2.558 -1.686 1.00 20.00 H new ATOM 0 HA ASP A -2 -49.189 -0.004 -0.884 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -51.307 -0.068 -2.075 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -50.671 0.939 -3.361 1.00 20.00 H new ATOM 99 N ASP A -1 -48.122 1.762 -3.470 1.00 20.00 N ATOM 100 CA ASP A -1 -46.959 2.236 -4.228 1.00 20.00 C ATOM 101 C ASP A -1 -46.236 1.111 -4.967 1.00 20.00 C ATOM 102 O ASP A -1 -45.259 1.351 -5.677 1.00 20.00 O ATOM 103 CB ASP A -1 -45.990 2.986 -3.310 1.00 20.00 C ATOM 104 CG ASP A -1 -46.482 4.376 -2.946 1.00 20.00 C ATOM 105 OD1 ASP A -1 -47.651 4.521 -2.522 1.00 20.00 O ATOM 106 OD2 ASP A -1 -45.695 5.336 -3.081 1.00 20.00 O ATOM 0 H ASP A -1 -49.010 2.110 -3.831 1.00 20.00 H new ATOM 0 HA ASP A -1 -47.335 2.920 -4.988 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -45.840 2.408 -2.398 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -45.020 3.066 -3.800 1.00 20.00 H new ATOM 111 N ASP A 0 -46.721 -0.109 -4.807 1.00 20.00 N ATOM 112 CA ASP A 0 -46.135 -1.261 -5.472 1.00 20.00 C ATOM 113 C ASP A 0 -46.821 -1.508 -6.808 1.00 20.00 C ATOM 114 O ASP A 0 -46.178 -1.838 -7.805 1.00 20.00 O ATOM 115 CB ASP A 0 -46.242 -2.500 -4.582 1.00 20.00 C ATOM 116 CG ASP A 0 -45.805 -3.759 -5.299 1.00 20.00 C ATOM 117 OD1 ASP A 0 -44.605 -3.873 -5.631 1.00 20.00 O ATOM 118 OD2 ASP A 0 -46.657 -4.643 -5.522 1.00 20.00 O ATOM 0 H ASP A 0 -47.525 -0.328 -4.218 1.00 20.00 H new ATOM 0 HA ASP A 0 -45.081 -1.056 -5.657 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -45.629 -2.360 -3.692 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -47.272 -2.615 -4.245 1.00 20.00 H new ATOM 123 N LYS A 1 -48.134 -1.335 -6.821 1.00 20.00 N ATOM 124 CA LYS A 1 -48.928 -1.535 -8.028 1.00 20.00 C ATOM 125 C LYS A 1 -48.948 -0.267 -8.875 1.00 20.00 C ATOM 126 O LYS A 1 -49.477 -0.252 -9.989 1.00 20.00 O ATOM 127 CB LYS A 1 -50.353 -1.951 -7.653 1.00 20.00 C ATOM 128 CG LYS A 1 -50.417 -3.270 -6.894 1.00 20.00 C ATOM 129 CD LYS A 1 -51.834 -3.609 -6.455 1.00 20.00 C ATOM 130 CE LYS A 1 -52.772 -3.788 -7.640 1.00 20.00 C ATOM 131 NZ LYS A 1 -52.293 -4.836 -8.579 1.00 20.00 N ATOM 0 H LYS A 1 -48.677 -1.055 -6.004 1.00 20.00 H new ATOM 0 HA LYS A 1 -48.472 -2.330 -8.618 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -50.804 -1.168 -7.044 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -50.951 -2.033 -8.561 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -50.032 -4.071 -7.526 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -49.770 -3.216 -6.019 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -51.821 -4.524 -5.862 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -52.213 -2.816 -5.810 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -53.766 -4.053 -7.278 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -52.868 -2.842 -8.172 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -53.055 -5.081 -9.244 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -51.473 -4.479 -9.109 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -52.016 -5.683 -8.042 1.00 20.00 H new ATOM 145 N ASN A 2 -48.366 0.791 -8.335 1.00 20.00 N ATOM 146 CA ASN A 2 -48.264 2.060 -9.039 1.00 20.00 C ATOM 147 C ASN A 2 -46.828 2.571 -8.979 1.00 20.00 C ATOM 148 O ASN A 2 -45.905 1.787 -8.750 1.00 20.00 O ATOM 149 CB ASN A 2 -49.245 3.093 -8.458 1.00 20.00 C ATOM 150 CG ASN A 2 -49.095 3.304 -6.962 1.00 20.00 C ATOM 151 OD1 ASN A 2 -48.287 4.112 -6.512 1.00 20.00 O ATOM 152 ND2 ASN A 2 -49.893 2.593 -6.180 1.00 20.00 N ATOM 0 H ASN A 2 -47.953 0.796 -7.402 1.00 20.00 H new ATOM 0 HA ASN A 2 -48.535 1.905 -10.083 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -49.099 4.046 -8.967 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -50.265 2.772 -8.670 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -49.849 2.707 -5.167 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -50.552 1.931 -6.590 1.00 20.00 H new ATOM 159 N ARG A 3 -46.651 3.876 -9.193 1.00 20.00 N ATOM 160 CA ARG A 3 -45.327 4.495 -9.292 1.00 20.00 C ATOM 161 C ARG A 3 -44.633 3.994 -10.552 1.00 20.00 C ATOM 162 O ARG A 3 -43.445 3.669 -10.548 1.00 20.00 O ATOM 163 CB ARG A 3 -44.461 4.212 -8.054 1.00 20.00 C ATOM 164 CG ARG A 3 -45.113 4.606 -6.739 1.00 20.00 C ATOM 165 CD ARG A 3 -45.478 6.082 -6.696 1.00 20.00 C ATOM 166 NE ARG A 3 -46.182 6.418 -5.462 1.00 20.00 N ATOM 167 CZ ARG A 3 -47.103 7.373 -5.357 1.00 20.00 C ATOM 168 NH1 ARG A 3 -47.375 8.163 -6.387 1.00 20.00 N ATOM 169 NH2 ARG A 3 -47.742 7.542 -4.208 1.00 20.00 N ATOM 0 H ARG A 3 -47.422 4.535 -9.303 1.00 20.00 H new ATOM 0 HA ARG A 3 -45.460 5.576 -9.345 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -44.223 3.149 -8.025 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -43.517 4.747 -8.154 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -46.011 4.007 -6.587 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -44.435 4.377 -5.917 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -44.574 6.685 -6.777 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -46.104 6.329 -7.553 1.00 20.00 H new ATOM 0 HE ARG A 3 -45.952 5.885 -4.623 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -46.877 8.041 -7.269 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -48.082 8.892 -6.297 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -47.527 6.942 -3.412 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -48.449 8.272 -4.120 1.00 20.00 H new ATOM 183 N ALA A 4 -45.404 3.929 -11.626 1.00 20.00 N ATOM 184 CA ALA A 4 -44.919 3.411 -12.894 1.00 20.00 C ATOM 185 C ALA A 4 -44.095 4.458 -13.636 1.00 20.00 C ATOM 186 O ALA A 4 -44.119 5.639 -13.284 1.00 20.00 O ATOM 187 CB ALA A 4 -46.090 2.950 -13.746 1.00 20.00 C ATOM 0 H ALA A 4 -46.378 4.232 -11.643 1.00 20.00 H new ATOM 0 HA ALA A 4 -44.269 2.559 -12.693 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -45.719 2.563 -14.695 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -46.635 2.165 -13.222 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -46.757 3.791 -13.933 1.00 20.00 H new ATOM 193 N LEU A 5 -43.373 4.013 -14.665 1.00 20.00 N ATOM 194 CA LEU A 5 -42.514 4.891 -15.459 1.00 20.00 C ATOM 195 C LEU A 5 -41.477 5.566 -14.570 1.00 20.00 C ATOM 196 O LEU A 5 -41.200 6.758 -14.702 1.00 20.00 O ATOM 197 CB LEU A 5 -43.336 5.951 -16.213 1.00 20.00 C ATOM 198 CG LEU A 5 -44.155 5.463 -17.421 1.00 20.00 C ATOM 199 CD1 LEU A 5 -43.283 4.688 -18.398 1.00 20.00 C ATOM 200 CD2 LEU A 5 -45.343 4.620 -16.983 1.00 20.00 C ATOM 0 H LEU A 5 -43.367 3.040 -14.970 1.00 20.00 H new ATOM 0 HA LEU A 5 -42.002 4.274 -16.198 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -44.020 6.417 -15.504 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -42.654 6.729 -16.557 1.00 20.00 H new ATOM 0 HG LEU A 5 -44.539 6.347 -17.931 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -43.888 4.356 -19.241 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -42.480 5.331 -18.759 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -42.855 3.821 -17.895 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -45.900 4.292 -17.861 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -44.988 3.749 -16.432 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -45.994 5.214 -16.342 1.00 20.00 H new ATOM 212 N SER A 6 -40.916 4.791 -13.661 1.00 20.00 N ATOM 213 CA SER A 6 -39.900 5.284 -12.756 1.00 20.00 C ATOM 214 C SER A 6 -38.618 4.476 -12.936 1.00 20.00 C ATOM 215 O SER A 6 -38.627 3.250 -12.810 1.00 20.00 O ATOM 216 CB SER A 6 -40.398 5.185 -11.310 1.00 20.00 C ATOM 217 OG SER A 6 -39.465 5.744 -10.396 1.00 20.00 O ATOM 0 H SER A 6 -41.152 3.807 -13.531 1.00 20.00 H new ATOM 0 HA SER A 6 -39.691 6.330 -12.980 1.00 20.00 H new ATOM 0 HB2 SER A 6 -41.353 5.702 -11.217 1.00 20.00 H new ATOM 0 HB3 SER A 6 -40.575 4.140 -11.056 1.00 20.00 H new ATOM 0 HG SER A 6 -39.814 5.666 -9.484 1.00 20.00 H new ATOM 223 N PRO A 7 -37.503 5.154 -13.263 1.00 20.00 N ATOM 224 CA PRO A 7 -36.209 4.495 -13.471 1.00 20.00 C ATOM 225 C PRO A 7 -35.691 3.840 -12.197 1.00 20.00 C ATOM 226 O PRO A 7 -35.001 2.822 -12.260 1.00 20.00 O ATOM 227 CB PRO A 7 -35.280 5.639 -13.902 1.00 20.00 C ATOM 228 CG PRO A 7 -35.941 6.884 -13.421 1.00 20.00 C ATOM 229 CD PRO A 7 -37.418 6.613 -13.461 1.00 20.00 C ATOM 0 HA PRO A 7 -36.275 3.691 -14.204 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -34.288 5.526 -13.465 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -35.151 5.655 -14.984 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -35.617 7.132 -12.410 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -35.683 7.732 -14.055 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -37.948 7.156 -12.678 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -37.857 6.916 -14.412 1.00 20.00 H new ATOM 237 N MET A 8 -36.043 4.419 -11.047 1.00 20.00 N ATOM 238 CA MET A 8 -35.654 3.878 -9.747 1.00 20.00 C ATOM 239 C MET A 8 -34.150 3.609 -9.706 1.00 20.00 C ATOM 240 O MET A 8 -33.700 2.481 -9.483 1.00 20.00 O ATOM 241 CB MET A 8 -36.445 2.599 -9.449 1.00 20.00 C ATOM 242 CG MET A 8 -36.295 2.100 -8.022 1.00 20.00 C ATOM 243 SD MET A 8 -37.279 0.626 -7.697 1.00 20.00 S ATOM 244 CE MET A 8 -36.908 0.356 -5.967 1.00 20.00 C ATOM 0 H MET A 8 -36.602 5.270 -10.992 1.00 20.00 H new ATOM 0 HA MET A 8 -35.886 4.614 -8.978 1.00 20.00 H new ATOM 0 HB2 MET A 8 -37.501 2.781 -9.651 1.00 20.00 H new ATOM 0 HB3 MET A 8 -36.121 1.815 -10.133 1.00 20.00 H new ATOM 0 HG2 MET A 8 -35.245 1.882 -7.826 1.00 20.00 H new ATOM 0 HG3 MET A 8 -36.591 2.890 -7.332 1.00 20.00 H new ATOM 0 HE1 MET A 8 -37.444 -0.525 -5.613 1.00 20.00 H new ATOM 0 HE2 MET A 8 -35.836 0.202 -5.844 1.00 20.00 H new ATOM 0 HE3 MET A 8 -37.218 1.226 -5.388 1.00 20.00 H new ATOM 254 N VAL A 9 -33.381 4.657 -9.943 1.00 20.00 N ATOM 255 CA VAL A 9 -31.932 4.554 -9.982 1.00 20.00 C ATOM 256 C VAL A 9 -31.302 5.468 -8.941 1.00 20.00 C ATOM 257 O VAL A 9 -32.005 6.231 -8.275 1.00 20.00 O ATOM 258 CB VAL A 9 -31.368 4.906 -11.377 1.00 20.00 C ATOM 259 CG1 VAL A 9 -31.799 3.875 -12.410 1.00 20.00 C ATOM 260 CG2 VAL A 9 -31.801 6.304 -11.801 1.00 20.00 C ATOM 0 H VAL A 9 -33.739 5.597 -10.113 1.00 20.00 H new ATOM 0 HA VAL A 9 -31.680 3.517 -9.761 1.00 20.00 H new ATOM 0 HB VAL A 9 -30.280 4.892 -11.314 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -31.390 4.143 -13.384 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -31.429 2.892 -12.119 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -32.887 3.850 -12.467 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -31.392 6.529 -12.786 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -32.889 6.351 -11.841 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -31.432 7.033 -11.080 1.00 20.00 H new ATOM 270 N SER A 10 -29.984 5.371 -8.800 1.00 20.00 N ATOM 271 CA SER A 10 -29.233 6.202 -7.866 1.00 20.00 C ATOM 272 C SER A 10 -29.678 5.941 -6.427 1.00 20.00 C ATOM 273 O SER A 10 -29.940 6.871 -5.661 1.00 20.00 O ATOM 274 CB SER A 10 -29.400 7.681 -8.227 1.00 20.00 C ATOM 275 OG SER A 10 -29.046 7.916 -9.582 1.00 20.00 O ATOM 0 H SER A 10 -29.408 4.716 -9.328 1.00 20.00 H new ATOM 0 HA SER A 10 -28.177 5.942 -7.941 1.00 20.00 H new ATOM 0 HB2 SER A 10 -30.433 7.986 -8.059 1.00 20.00 H new ATOM 0 HB3 SER A 10 -28.777 8.291 -7.573 1.00 20.00 H new ATOM 0 HG SER A 10 -29.162 8.867 -9.790 1.00 20.00 H new ATOM 281 N GLU A 11 -29.772 4.666 -6.071 1.00 20.00 N ATOM 282 CA GLU A 11 -30.133 4.274 -4.715 1.00 20.00 C ATOM 283 C GLU A 11 -28.886 4.238 -3.834 1.00 20.00 C ATOM 284 O GLU A 11 -28.373 3.174 -3.474 1.00 20.00 O ATOM 285 CB GLU A 11 -30.865 2.922 -4.713 1.00 20.00 C ATOM 286 CG GLU A 11 -30.180 1.842 -5.534 1.00 20.00 C ATOM 287 CD GLU A 11 -30.934 0.526 -5.522 1.00 20.00 C ATOM 288 OE1 GLU A 11 -30.932 -0.161 -4.480 1.00 20.00 O ATOM 289 OE2 GLU A 11 -31.522 0.166 -6.561 1.00 20.00 O ATOM 0 H GLU A 11 -29.603 3.884 -6.704 1.00 20.00 H new ATOM 0 HA GLU A 11 -30.820 5.014 -4.303 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -30.961 2.575 -3.684 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -31.875 3.068 -5.096 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -30.075 2.186 -6.563 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -29.173 1.682 -5.148 1.00 20.00 H new ATOM 296 N PHE A 12 -28.397 5.423 -3.508 1.00 20.00 N ATOM 297 CA PHE A 12 -27.179 5.573 -2.729 1.00 20.00 C ATOM 298 C PHE A 12 -27.471 5.420 -1.240 1.00 20.00 C ATOM 299 O PHE A 12 -28.449 5.975 -0.736 1.00 20.00 O ATOM 300 CB PHE A 12 -26.549 6.942 -3.005 1.00 20.00 C ATOM 301 CG PHE A 12 -25.225 7.158 -2.320 1.00 20.00 C ATOM 302 CD1 PHE A 12 -24.063 6.610 -2.841 1.00 20.00 C ATOM 303 CD2 PHE A 12 -25.142 7.914 -1.159 1.00 20.00 C ATOM 304 CE1 PHE A 12 -22.847 6.810 -2.218 1.00 20.00 C ATOM 305 CE2 PHE A 12 -23.926 8.116 -0.533 1.00 20.00 C ATOM 306 CZ PHE A 12 -22.778 7.564 -1.063 1.00 20.00 C ATOM 0 H PHE A 12 -28.832 6.306 -3.775 1.00 20.00 H new ATOM 0 HA PHE A 12 -26.479 4.791 -3.024 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -26.413 7.057 -4.080 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -27.242 7.720 -2.686 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -24.109 6.020 -3.744 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -26.037 8.349 -0.740 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -21.950 6.377 -2.634 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -23.875 8.706 0.370 1.00 20.00 H new ATOM 0 HZ PHE A 12 -21.827 7.721 -0.576 1.00 20.00 H new ATOM 316 N GLU A 13 -26.608 4.675 -0.554 1.00 20.00 N ATOM 317 CA GLU A 13 -26.741 4.422 0.880 1.00 20.00 C ATOM 318 C GLU A 13 -28.028 3.653 1.180 1.00 20.00 C ATOM 319 O GLU A 13 -28.045 2.423 1.112 1.00 20.00 O ATOM 320 CB GLU A 13 -26.694 5.732 1.678 1.00 20.00 C ATOM 321 CG GLU A 13 -26.597 5.524 3.181 1.00 20.00 C ATOM 322 CD GLU A 13 -25.230 5.047 3.607 1.00 20.00 C ATOM 323 OE1 GLU A 13 -24.946 3.839 3.467 1.00 20.00 O ATOM 324 OE2 GLU A 13 -24.427 5.881 4.076 1.00 20.00 O ATOM 0 H GLU A 13 -25.794 4.228 -0.977 1.00 20.00 H new ATOM 0 HA GLU A 13 -25.896 3.807 1.190 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -25.839 6.321 1.345 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -27.588 6.315 1.457 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -26.828 6.460 3.690 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -27.347 4.797 3.494 1.00 20.00 H new ATOM 331 N THR A 14 -29.103 4.391 1.483 1.00 20.00 N ATOM 332 CA THR A 14 -30.411 3.815 1.812 1.00 20.00 C ATOM 333 C THR A 14 -30.292 2.718 2.873 1.00 20.00 C ATOM 334 O THR A 14 -29.322 2.674 3.634 1.00 20.00 O ATOM 335 CB THR A 14 -31.127 3.257 0.553 1.00 20.00 C ATOM 336 OG1 THR A 14 -30.364 2.201 -0.040 1.00 20.00 O ATOM 337 CG2 THR A 14 -31.353 4.352 -0.475 1.00 20.00 C ATOM 0 H THR A 14 -29.089 5.411 1.507 1.00 20.00 H new ATOM 0 HA THR A 14 -31.015 4.626 2.219 1.00 20.00 H new ATOM 0 HB THR A 14 -32.093 2.866 0.873 1.00 20.00 H new ATOM 0 HG1 THR A 14 -29.643 1.936 0.569 1.00 20.00 H new ATOM 0 HG21 THR A 14 -31.856 3.934 -1.347 1.00 20.00 H new ATOM 0 HG22 THR A 14 -31.972 5.137 -0.040 1.00 20.00 H new ATOM 0 HG23 THR A 14 -30.393 4.772 -0.776 1.00 20.00 H new ATOM 345 N ILE A 15 -31.289 1.859 2.950 1.00 20.00 N ATOM 346 CA ILE A 15 -31.204 0.676 3.787 1.00 20.00 C ATOM 347 C ILE A 15 -30.657 -0.484 2.959 1.00 20.00 C ATOM 348 O ILE A 15 -30.035 -1.409 3.486 1.00 20.00 O ATOM 349 CB ILE A 15 -32.586 0.297 4.366 1.00 20.00 C ATOM 350 CG1 ILE A 15 -33.162 1.440 5.212 1.00 20.00 C ATOM 351 CG2 ILE A 15 -32.502 -0.977 5.192 1.00 20.00 C ATOM 352 CD1 ILE A 15 -32.332 1.787 6.430 1.00 20.00 C ATOM 0 H ILE A 15 -32.169 1.957 2.443 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.537 0.889 4.622 1.00 20.00 H new ATOM 0 HB ILE A 15 -33.256 0.119 3.525 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -33.259 2.328 4.587 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -34.166 1.167 5.536 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -33.488 -1.220 5.587 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -32.151 -1.796 4.564 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -31.806 -0.830 6.018 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -32.807 2.604 6.973 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.256 0.915 7.079 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -31.334 2.093 6.115 1.00 20.00 H new ATOM 364 N GLU A 16 -30.852 -0.379 1.646 1.00 20.00 N ATOM 365 CA GLU A 16 -30.501 -1.434 0.697 1.00 20.00 C ATOM 366 C GLU A 16 -29.063 -1.917 0.871 1.00 20.00 C ATOM 367 O GLU A 16 -28.810 -3.121 0.896 1.00 20.00 O ATOM 368 CB GLU A 16 -30.700 -0.933 -0.734 1.00 20.00 C ATOM 369 CG GLU A 16 -32.151 -0.673 -1.100 1.00 20.00 C ATOM 370 CD GLU A 16 -32.989 -1.933 -1.099 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.823 -2.763 -2.019 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.817 -2.102 -0.184 1.00 20.00 O ATOM 0 H GLU A 16 -31.261 0.446 1.208 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.160 -2.279 0.896 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.131 -0.013 -0.869 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.287 -1.667 -1.426 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.576 0.042 -0.396 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.195 -0.213 -2.087 1.00 20.00 H new ATOM 379 N GLN A 17 -28.132 -0.979 1.006 1.00 20.00 N ATOM 380 CA GLN A 17 -26.711 -1.309 1.083 1.00 20.00 C ATOM 381 C GLN A 17 -26.430 -2.227 2.277 1.00 20.00 C ATOM 382 O GLN A 17 -25.723 -3.229 2.148 1.00 20.00 O ATOM 383 CB GLN A 17 -25.881 -0.019 1.179 1.00 20.00 C ATOM 384 CG GLN A 17 -24.420 -0.162 0.757 1.00 20.00 C ATOM 385 CD GLN A 17 -23.559 -0.895 1.772 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.804 -0.831 2.978 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.539 -1.590 1.291 1.00 20.00 N ATOM 0 H GLN A 17 -28.335 0.019 1.065 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.425 -1.844 0.177 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.350 0.745 0.559 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.914 0.341 2.207 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.376 -0.693 -0.194 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.001 0.830 0.588 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -22.370 -1.618 0.286 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.923 -2.097 1.926 1.00 20.00 H new ATOM 396 N GLU A 18 -27.008 -1.898 3.427 1.00 20.00 N ATOM 397 CA GLU A 18 -26.786 -2.681 4.638 1.00 20.00 C ATOM 398 C GLU A 18 -27.626 -3.950 4.627 1.00 20.00 C ATOM 399 O GLU A 18 -27.174 -5.010 5.057 1.00 20.00 O ATOM 400 CB GLU A 18 -27.109 -1.853 5.888 1.00 20.00 C ATOM 401 CG GLU A 18 -26.216 -0.638 6.069 1.00 20.00 C ATOM 402 CD GLU A 18 -26.466 0.069 7.382 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.383 0.912 7.449 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.741 -0.210 8.357 1.00 20.00 O ATOM 0 H GLU A 18 -27.631 -1.099 3.547 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.733 -2.960 4.664 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.147 -1.524 5.836 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.020 -2.491 6.767 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.172 -0.947 6.019 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.383 0.058 5.247 1.00 20.00 H new ATOM 411 N ASN A 19 -28.844 -3.843 4.118 1.00 20.00 N ATOM 412 CA ASN A 19 -29.758 -4.981 4.073 1.00 20.00 C ATOM 413 C ASN A 19 -29.209 -6.077 3.166 1.00 20.00 C ATOM 414 O ASN A 19 -29.272 -7.261 3.497 1.00 20.00 O ATOM 415 CB ASN A 19 -31.142 -4.539 3.591 1.00 20.00 C ATOM 416 CG ASN A 19 -32.142 -5.680 3.552 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.060 -6.627 4.337 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.103 -5.590 2.649 1.00 20.00 N ATOM 0 H ASN A 19 -29.225 -2.980 3.729 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.852 -5.382 5.082 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.518 -3.755 4.248 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.054 -4.105 2.595 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.812 -6.321 2.584 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.136 -4.790 2.017 1.00 20.00 H new ATOM 425 N SER A 20 -28.640 -5.680 2.035 1.00 20.00 N ATOM 426 CA SER A 20 -28.066 -6.641 1.107 1.00 20.00 C ATOM 427 C SER A 20 -26.768 -7.213 1.663 1.00 20.00 C ATOM 428 O SER A 20 -26.337 -8.293 1.264 1.00 20.00 O ATOM 429 CB SER A 20 -27.828 -5.995 -0.259 1.00 20.00 C ATOM 430 OG SER A 20 -27.051 -4.816 -0.139 1.00 20.00 O ATOM 0 H SER A 20 -28.565 -4.706 1.741 1.00 20.00 H new ATOM 0 HA SER A 20 -28.775 -7.459 0.980 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.322 -6.702 -0.916 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.785 -5.758 -0.724 1.00 20.00 H new ATOM 0 HG SER A 20 -27.644 -4.044 -0.025 1.00 20.00 H new ATOM 436 N TYR A 21 -26.152 -6.492 2.595 1.00 20.00 N ATOM 437 CA TYR A 21 -24.948 -6.980 3.248 1.00 20.00 C ATOM 438 C TYR A 21 -25.310 -8.112 4.205 1.00 20.00 C ATOM 439 O TYR A 21 -24.571 -9.084 4.341 1.00 20.00 O ATOM 440 CB TYR A 21 -24.227 -5.855 3.999 1.00 20.00 C ATOM 441 CG TYR A 21 -22.903 -6.288 4.597 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.753 -6.330 3.819 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.805 -6.666 5.932 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.545 -6.737 4.352 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.599 -7.071 6.472 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.473 -7.105 5.678 1.00 20.00 C ATOM 447 OH TYR A 21 -19.272 -7.516 6.210 1.00 20.00 O ATOM 0 H TYR A 21 -26.466 -5.575 2.911 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.267 -7.355 2.484 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.055 -5.023 3.316 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.874 -5.485 4.795 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.804 -6.040 2.780 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.686 -6.643 6.557 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.661 -6.767 3.732 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.539 -7.359 7.511 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.393 -7.739 7.157 1.00 20.00 H new ATOM 457 N ASN A 22 -26.460 -7.981 4.855 1.00 20.00 N ATOM 458 CA ASN A 22 -26.974 -9.040 5.716 1.00 20.00 C ATOM 459 C ASN A 22 -27.327 -10.260 4.879 1.00 20.00 C ATOM 460 O ASN A 22 -27.080 -11.399 5.279 1.00 20.00 O ATOM 461 CB ASN A 22 -28.205 -8.568 6.499 1.00 20.00 C ATOM 462 CG ASN A 22 -27.873 -7.547 7.576 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.926 -6.769 7.451 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.652 -7.542 8.645 1.00 20.00 N ATOM 0 H ASN A 22 -27.054 -7.153 4.803 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.197 -9.304 6.433 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.925 -8.134 5.805 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.687 -9.430 6.960 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.477 -6.879 9.400 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.427 -8.201 8.714 1.00 20.00 H new ATOM 471 N GLU A 23 -27.891 -10.011 3.702 1.00 20.00 N ATOM 472 CA GLU A 23 -28.195 -11.076 2.756 1.00 20.00 C ATOM 473 C GLU A 23 -26.894 -11.712 2.260 1.00 20.00 C ATOM 474 O GLU A 23 -26.815 -12.922 2.054 1.00 20.00 O ATOM 475 CB GLU A 23 -29.008 -10.520 1.578 1.00 20.00 C ATOM 476 CG GLU A 23 -29.560 -11.585 0.640 1.00 20.00 C ATOM 477 CD GLU A 23 -30.595 -12.477 1.302 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.785 -12.095 1.338 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.225 -13.570 1.784 1.00 20.00 O ATOM 0 H GLU A 23 -28.147 -9.077 3.381 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.792 -11.840 3.254 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.838 -9.932 1.970 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.378 -9.840 1.006 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.007 -11.101 -0.228 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.738 -12.200 0.274 1.00 20.00 H new ATOM 486 N TRP A 24 -25.871 -10.882 2.091 1.00 20.00 N ATOM 487 CA TRP A 24 -24.547 -11.347 1.690 1.00 20.00 C ATOM 488 C TRP A 24 -23.910 -12.178 2.801 1.00 20.00 C ATOM 489 O TRP A 24 -23.170 -13.123 2.536 1.00 20.00 O ATOM 490 CB TRP A 24 -23.655 -10.152 1.329 1.00 20.00 C ATOM 491 CG TRP A 24 -22.248 -10.526 0.970 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.126 -10.287 1.710 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.812 -11.210 -0.212 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.019 -10.768 1.057 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.415 -11.341 -0.125 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.467 -11.722 -1.337 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.661 -11.963 -1.116 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.718 -12.339 -2.320 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.328 -12.455 -2.205 1.00 20.00 C ATOM 0 H TRP A 24 -25.934 -9.873 2.227 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.652 -11.982 0.810 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.103 -9.618 0.491 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.632 -9.461 2.172 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.112 -9.792 2.670 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.059 -10.709 1.395 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.539 -11.636 -1.435 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.588 -12.054 -1.029 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.214 -12.739 -3.192 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.771 -12.942 -2.991 1.00 20.00 H new ATOM 510 N LEU A 25 -24.211 -11.829 4.045 1.00 20.00 N ATOM 511 CA LEU A 25 -23.722 -12.585 5.189 1.00 20.00 C ATOM 512 C LEU A 25 -24.367 -13.968 5.215 1.00 20.00 C ATOM 513 O LEU A 25 -23.774 -14.940 5.682 1.00 20.00 O ATOM 514 CB LEU A 25 -24.008 -11.829 6.489 1.00 20.00 C ATOM 515 CG LEU A 25 -23.465 -12.479 7.765 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.959 -12.677 7.670 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.810 -11.626 8.974 1.00 20.00 C ATOM 0 H LEU A 25 -24.792 -11.026 4.287 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.643 -12.707 5.097 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.587 -10.827 6.406 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.087 -11.714 6.592 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.931 -13.458 7.879 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.594 -13.140 8.587 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.730 -13.322 6.822 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.473 -11.711 7.533 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.419 -12.098 9.876 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.366 -10.637 8.860 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.893 -11.530 9.055 1.00 20.00 H new ATOM 529 N ARG A 26 -25.588 -14.045 4.699 1.00 20.00 N ATOM 530 CA ARG A 26 -26.277 -15.319 4.549 1.00 20.00 C ATOM 531 C ARG A 26 -25.778 -16.045 3.307 1.00 20.00 C ATOM 532 O ARG A 26 -25.844 -17.274 3.219 1.00 20.00 O ATOM 533 CB ARG A 26 -27.789 -15.104 4.470 1.00 20.00 C ATOM 534 CG ARG A 26 -28.412 -14.642 5.779 1.00 20.00 C ATOM 535 CD ARG A 26 -28.186 -15.658 6.890 1.00 20.00 C ATOM 536 NE ARG A 26 -28.594 -17.005 6.489 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.395 -18.098 7.223 1.00 20.00 C ATOM 538 NH1 ARG A 26 -27.814 -18.011 8.414 1.00 20.00 N ATOM 539 NH2 ARG A 26 -28.770 -19.280 6.757 1.00 20.00 N ATOM 0 H ARG A 26 -26.122 -13.238 4.377 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.062 -15.935 5.422 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.002 -14.366 3.697 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.264 -16.035 4.161 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.984 -13.682 6.069 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.482 -14.485 5.639 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -27.132 -15.665 7.166 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.746 -15.358 7.776 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.061 -17.114 5.589 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -27.517 -17.103 8.772 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -27.665 -18.852 8.971 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -29.209 -19.350 5.839 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -28.619 -20.120 7.316 1.00 20.00 H new ATOM 553 N ALA A 27 -25.268 -15.276 2.354 1.00 20.00 N ATOM 554 CA ALA A 27 -24.659 -15.832 1.155 1.00 20.00 C ATOM 555 C ALA A 27 -23.284 -16.394 1.477 1.00 20.00 C ATOM 556 O ALA A 27 -22.702 -17.142 0.698 1.00 20.00 O ATOM 557 CB ALA A 27 -24.559 -14.777 0.065 1.00 20.00 C ATOM 0 H ALA A 27 -25.265 -14.257 2.390 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.291 -16.641 0.790 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.101 -15.213 -0.823 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.556 -14.414 -0.183 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.948 -13.946 0.418 1.00 20.00 H new ATOM 563 N LYS A 28 -22.762 -16.013 2.631 1.00 20.00 N ATOM 564 CA LYS A 28 -21.524 -16.585 3.129 1.00 20.00 C ATOM 565 C LYS A 28 -21.790 -18.012 3.592 1.00 20.00 C ATOM 566 O LYS A 28 -20.930 -18.885 3.493 1.00 20.00 O ATOM 567 CB LYS A 28 -20.969 -15.739 4.280 1.00 20.00 C ATOM 568 CG LYS A 28 -19.596 -16.177 4.766 1.00 20.00 C ATOM 569 CD LYS A 28 -19.133 -15.330 5.940 1.00 20.00 C ATOM 570 CE LYS A 28 -17.681 -15.614 6.302 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.753 -15.290 5.184 1.00 20.00 N ATOM 0 H LYS A 28 -23.178 -15.309 3.241 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.780 -16.596 2.333 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.914 -14.699 3.959 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.668 -15.778 5.115 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.629 -17.226 5.061 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.877 -16.098 3.951 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.247 -14.274 5.694 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.768 -15.527 6.804 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.406 -15.032 7.181 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.573 -16.665 6.569 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.787 -15.185 5.554 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.773 -16.057 4.482 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.050 -14.401 4.733 1.00 20.00 H new ATOM 585 N VAL A 29 -23.007 -18.232 4.080 1.00 20.00 N ATOM 586 CA VAL A 29 -23.453 -19.554 4.493 1.00 20.00 C ATOM 587 C VAL A 29 -23.742 -20.418 3.271 1.00 20.00 C ATOM 588 O VAL A 29 -23.265 -21.550 3.167 1.00 20.00 O ATOM 589 CB VAL A 29 -24.722 -19.469 5.370 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.211 -20.856 5.753 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.460 -18.631 6.609 1.00 20.00 C ATOM 0 H VAL A 29 -23.708 -17.500 4.199 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.653 -20.004 5.081 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.505 -18.984 4.787 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.105 -20.769 6.370 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.446 -21.421 4.851 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.433 -21.374 6.313 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.365 -18.583 7.214 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.658 -19.084 7.192 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.168 -17.624 6.312 1.00 20.00 H new ATOM 601 N ALA A 30 -24.523 -19.875 2.352 1.00 20.00 N ATOM 602 CA ALA A 30 -24.838 -20.560 1.109 1.00 20.00 C ATOM 603 C ALA A 30 -24.350 -19.729 -0.073 1.00 20.00 C ATOM 604 O ALA A 30 -25.091 -18.910 -0.622 1.00 20.00 O ATOM 605 CB ALA A 30 -26.333 -20.819 1.010 1.00 20.00 C ATOM 0 H ALA A 30 -24.953 -18.955 2.445 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.329 -21.524 1.092 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.552 -21.332 0.074 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.651 -21.440 1.847 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.869 -19.870 1.038 1.00 20.00 H new ATOM 611 N THR A 31 -23.097 -19.940 -0.452 1.00 20.00 N ATOM 612 CA THR A 31 -22.451 -19.117 -1.463 1.00 20.00 C ATOM 613 C THR A 31 -22.815 -19.574 -2.875 1.00 20.00 C ATOM 614 O THR A 31 -22.577 -18.865 -3.854 1.00 20.00 O ATOM 615 CB THR A 31 -20.923 -19.135 -1.263 1.00 20.00 C ATOM 616 OG1 THR A 31 -20.628 -18.920 0.126 1.00 20.00 O ATOM 617 CG2 THR A 31 -20.243 -18.056 -2.091 1.00 20.00 C ATOM 0 H THR A 31 -22.505 -20.679 -0.071 1.00 20.00 H new ATOM 0 HA THR A 31 -22.812 -18.095 -1.347 1.00 20.00 H new ATOM 0 HB THR A 31 -20.546 -20.104 -1.589 1.00 20.00 H new ATOM 0 HG1 THR A 31 -21.271 -18.283 0.502 1.00 20.00 H new ATOM 0 HG21 THR A 31 -19.166 -18.096 -1.927 1.00 20.00 H new ATOM 0 HG22 THR A 31 -20.455 -18.220 -3.147 1.00 20.00 H new ATOM 0 HG23 THR A 31 -20.619 -17.077 -1.793 1.00 20.00 H new ATOM 625 N SER A 32 -23.421 -20.745 -2.975 1.00 20.00 N ATOM 626 CA SER A 32 -23.868 -21.258 -4.260 1.00 20.00 C ATOM 627 C SER A 32 -25.375 -21.048 -4.402 1.00 20.00 C ATOM 628 O SER A 32 -26.082 -21.847 -5.021 1.00 20.00 O ATOM 629 CB SER A 32 -23.507 -22.743 -4.402 1.00 20.00 C ATOM 630 OG SER A 32 -23.605 -23.172 -5.754 1.00 20.00 O ATOM 0 H SER A 32 -23.615 -21.358 -2.183 1.00 20.00 H new ATOM 0 HA SER A 32 -23.362 -20.713 -5.057 1.00 20.00 H new ATOM 0 HB2 SER A 32 -22.493 -22.909 -4.038 1.00 20.00 H new ATOM 0 HB3 SER A 32 -24.171 -23.342 -3.779 1.00 20.00 H new ATOM 0 HG SER A 32 -24.469 -22.893 -6.124 1.00 20.00 H new ATOM 636 N LEU A 33 -25.854 -19.954 -3.817 1.00 20.00 N ATOM 637 CA LEU A 33 -27.267 -19.598 -3.864 1.00 20.00 C ATOM 638 C LEU A 33 -27.676 -19.319 -5.312 1.00 20.00 C ATOM 639 O LEU A 33 -28.783 -19.665 -5.735 1.00 20.00 O ATOM 640 CB LEU A 33 -27.511 -18.371 -2.955 1.00 20.00 C ATOM 641 CG LEU A 33 -28.967 -18.058 -2.556 1.00 20.00 C ATOM 642 CD1 LEU A 33 -29.737 -17.427 -3.704 1.00 20.00 C ATOM 643 CD2 LEU A 33 -29.680 -19.312 -2.064 1.00 20.00 C ATOM 0 H LEU A 33 -25.276 -19.292 -3.299 1.00 20.00 H new ATOM 0 HA LEU A 33 -27.880 -20.422 -3.497 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -26.934 -18.510 -2.041 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -27.104 -17.494 -3.458 1.00 20.00 H new ATOM 0 HG LEU A 33 -28.931 -17.337 -1.739 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -30.759 -17.220 -3.386 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -29.253 -16.496 -3.998 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -29.752 -18.112 -4.552 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -30.705 -19.064 -1.789 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -29.688 -20.060 -2.856 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -29.157 -19.710 -1.194 1.00 20.00 H new ATOM 655 N ALA A 34 -26.746 -18.721 -6.059 1.00 20.00 N ATOM 656 CA ALA A 34 -26.903 -18.444 -7.488 1.00 20.00 C ATOM 657 C ALA A 34 -27.974 -17.392 -7.758 1.00 20.00 C ATOM 658 O ALA A 34 -27.660 -16.229 -8.000 1.00 20.00 O ATOM 659 CB ALA A 34 -27.185 -19.723 -8.263 1.00 20.00 C ATOM 0 H ALA A 34 -25.850 -18.411 -5.683 1.00 20.00 H new ATOM 0 HA ALA A 34 -25.957 -18.032 -7.839 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -27.297 -19.490 -9.322 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -26.356 -20.419 -8.131 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -28.103 -20.178 -7.892 1.00 20.00 H new ATOM 665 N ASP A 35 -29.234 -17.795 -7.708 1.00 20.00 N ATOM 666 CA ASP A 35 -30.332 -16.893 -8.018 1.00 20.00 C ATOM 667 C ASP A 35 -31.306 -16.842 -6.854 1.00 20.00 C ATOM 668 O ASP A 35 -31.661 -17.878 -6.294 1.00 20.00 O ATOM 669 CB ASP A 35 -31.074 -17.346 -9.280 1.00 20.00 C ATOM 670 CG ASP A 35 -30.166 -17.509 -10.483 1.00 20.00 C ATOM 671 OD1 ASP A 35 -29.793 -16.490 -11.100 1.00 20.00 O ATOM 672 OD2 ASP A 35 -29.838 -18.663 -10.828 1.00 20.00 O ATOM 0 H ASP A 35 -29.522 -18.741 -7.456 1.00 20.00 H new ATOM 0 HA ASP A 35 -29.915 -15.901 -8.194 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -31.573 -18.294 -9.079 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -31.852 -16.620 -9.516 1.00 20.00 H new ATOM 677 N PRO A 36 -31.761 -15.638 -6.478 1.00 20.00 N ATOM 678 CA PRO A 36 -32.713 -15.458 -5.375 1.00 20.00 C ATOM 679 C PRO A 36 -34.132 -15.890 -5.748 1.00 20.00 C ATOM 680 O PRO A 36 -35.083 -15.632 -5.007 1.00 20.00 O ATOM 681 CB PRO A 36 -32.661 -13.953 -5.110 1.00 20.00 C ATOM 682 CG PRO A 36 -32.290 -13.356 -6.424 1.00 20.00 C ATOM 683 CD PRO A 36 -31.376 -14.352 -7.090 1.00 20.00 C ATOM 0 HA PRO A 36 -32.455 -16.068 -4.509 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -33.623 -13.578 -4.761 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -31.927 -13.710 -4.342 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -33.175 -13.171 -7.032 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -31.790 -12.397 -6.289 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -31.516 -14.364 -8.171 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -30.327 -14.119 -6.907 1.00 20.00 H new ATOM 691 N ARG A 37 -34.236 -16.560 -6.900 1.00 20.00 N ATOM 692 CA ARG A 37 -35.502 -17.050 -7.440 1.00 20.00 C ATOM 693 C ARG A 37 -36.369 -15.890 -7.918 1.00 20.00 C ATOM 694 O ARG A 37 -37.060 -15.250 -7.129 1.00 20.00 O ATOM 695 CB ARG A 37 -36.250 -17.903 -6.407 1.00 20.00 C ATOM 696 CG ARG A 37 -37.434 -18.670 -6.979 1.00 20.00 C ATOM 697 CD ARG A 37 -38.074 -19.573 -5.934 1.00 20.00 C ATOM 698 NE ARG A 37 -37.112 -20.518 -5.358 1.00 20.00 N ATOM 699 CZ ARG A 37 -37.444 -21.651 -4.738 1.00 20.00 C ATOM 700 NH1 ARG A 37 -38.718 -22.006 -4.617 1.00 20.00 N ATOM 701 NH2 ARG A 37 -36.494 -22.433 -4.236 1.00 20.00 N ATOM 0 H ARG A 37 -33.432 -16.778 -7.489 1.00 20.00 H new ATOM 0 HA ARG A 37 -35.279 -17.685 -8.298 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -35.552 -18.612 -5.962 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -36.603 -17.256 -5.604 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -38.176 -17.966 -7.356 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -37.104 -19.270 -7.827 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -38.501 -18.961 -5.139 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -38.897 -20.125 -6.388 1.00 20.00 H new ATOM 0 HE ARG A 37 -36.120 -20.293 -5.437 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -39.452 -21.410 -5.000 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -38.962 -22.874 -4.141 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -35.514 -22.166 -4.325 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -36.745 -23.300 -3.761 1.00 20.00 H new ATOM 715 N PRO A 38 -36.342 -15.604 -9.231 1.00 20.00 N ATOM 716 CA PRO A 38 -37.125 -14.513 -9.828 1.00 20.00 C ATOM 717 C PRO A 38 -38.603 -14.870 -9.956 1.00 20.00 C ATOM 718 O PRO A 38 -39.246 -14.593 -10.970 1.00 20.00 O ATOM 719 CB PRO A 38 -36.489 -14.341 -11.206 1.00 20.00 C ATOM 720 CG PRO A 38 -35.950 -15.685 -11.546 1.00 20.00 C ATOM 721 CD PRO A 38 -35.543 -16.323 -10.242 1.00 20.00 C ATOM 0 HA PRO A 38 -37.105 -13.608 -9.221 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -37.222 -14.011 -11.942 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -35.698 -13.591 -11.186 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -36.702 -16.288 -12.055 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -35.098 -15.602 -12.221 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -35.758 -17.391 -10.236 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -34.474 -16.212 -10.059 1.00 20.00 H new ATOM 729 N ALA A 39 -39.117 -15.487 -8.909 1.00 20.00 N ATOM 730 CA ALA A 39 -40.494 -15.930 -8.839 1.00 20.00 C ATOM 731 C ALA A 39 -40.791 -16.375 -7.418 1.00 20.00 C ATOM 732 O ALA A 39 -40.816 -17.567 -7.118 1.00 20.00 O ATOM 733 CB ALA A 39 -40.752 -17.065 -9.819 1.00 20.00 C ATOM 0 H ALA A 39 -38.578 -15.698 -8.069 1.00 20.00 H new ATOM 0 HA ALA A 39 -41.153 -15.106 -9.113 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -41.793 -17.379 -9.746 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -40.546 -16.724 -10.833 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -40.102 -17.907 -9.580 1.00 20.00 H new ATOM 739 N ILE A 40 -40.975 -15.407 -6.540 1.00 20.00 N ATOM 740 CA ILE A 40 -41.189 -15.682 -5.130 1.00 20.00 C ATOM 741 C ILE A 40 -42.630 -16.131 -4.895 1.00 20.00 C ATOM 742 O ILE A 40 -43.573 -15.393 -5.187 1.00 20.00 O ATOM 743 CB ILE A 40 -40.873 -14.448 -4.242 1.00 20.00 C ATOM 744 CG1 ILE A 40 -39.425 -13.970 -4.432 1.00 20.00 C ATOM 745 CG2 ILE A 40 -41.111 -14.774 -2.777 1.00 20.00 C ATOM 746 CD1 ILE A 40 -39.208 -13.100 -5.651 1.00 20.00 C ATOM 0 H ILE A 40 -40.981 -14.416 -6.780 1.00 20.00 H new ATOM 0 HA ILE A 40 -40.503 -16.481 -4.846 1.00 20.00 H new ATOM 0 HB ILE A 40 -41.542 -13.645 -4.551 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -39.119 -13.414 -3.545 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -38.774 -14.841 -4.502 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -40.885 -13.899 -2.168 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -42.153 -15.057 -2.632 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -40.466 -15.600 -2.479 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -38.159 -12.808 -5.708 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -39.479 -13.657 -6.548 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -39.829 -12.208 -5.576 1.00 20.00 H new ATOM 758 N PRO A 41 -42.814 -17.359 -4.382 1.00 20.00 N ATOM 759 CA PRO A 41 -44.145 -17.921 -4.123 1.00 20.00 C ATOM 760 C PRO A 41 -44.882 -17.149 -3.033 1.00 20.00 C ATOM 761 O PRO A 41 -44.269 -16.630 -2.098 1.00 20.00 O ATOM 762 CB PRO A 41 -43.854 -19.354 -3.667 1.00 20.00 C ATOM 763 CG PRO A 41 -42.440 -19.340 -3.198 1.00 20.00 C ATOM 764 CD PRO A 41 -41.735 -18.288 -4.006 1.00 20.00 C ATOM 0 HA PRO A 41 -44.789 -17.872 -5.001 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -44.530 -19.657 -2.868 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -43.990 -20.062 -4.485 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -42.386 -19.113 -2.133 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -41.974 -20.315 -3.340 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -40.960 -17.788 -3.425 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -41.250 -18.715 -4.884 1.00 20.00 H new ATOM 772 N HIS A 42 -46.209 -17.100 -3.149 1.00 20.00 N ATOM 773 CA HIS A 42 -47.034 -16.230 -2.311 1.00 20.00 C ATOM 774 C HIS A 42 -46.980 -16.623 -0.838 1.00 20.00 C ATOM 775 O HIS A 42 -47.237 -15.793 0.036 1.00 20.00 O ATOM 776 CB HIS A 42 -48.483 -16.213 -2.804 1.00 20.00 C ATOM 777 CG HIS A 42 -48.680 -15.399 -4.046 1.00 20.00 C ATOM 778 ND1 HIS A 42 -49.443 -14.252 -4.081 1.00 20.00 N ATOM 779 CD2 HIS A 42 -48.206 -15.570 -5.304 1.00 20.00 C ATOM 780 CE1 HIS A 42 -49.432 -13.755 -5.303 1.00 20.00 C ATOM 781 NE2 HIS A 42 -48.688 -14.534 -6.063 1.00 20.00 N ATOM 0 H HIS A 42 -46.738 -17.657 -3.820 1.00 20.00 H new ATOM 0 HA HIS A 42 -46.619 -15.225 -2.395 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -48.806 -17.236 -2.994 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -49.123 -15.818 -2.015 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -47.568 -16.372 -5.645 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -49.945 -12.861 -5.626 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -48.501 -14.390 -7.055 1.00 20.00 H new ATOM 790 N ASP A 43 -46.644 -17.878 -0.564 1.00 20.00 N ATOM 791 CA ASP A 43 -46.474 -18.337 0.812 1.00 20.00 C ATOM 792 C ASP A 43 -45.247 -17.689 1.436 1.00 20.00 C ATOM 793 O ASP A 43 -45.272 -17.264 2.593 1.00 20.00 O ATOM 794 CB ASP A 43 -46.338 -19.864 0.880 1.00 20.00 C ATOM 795 CG ASP A 43 -47.656 -20.589 0.702 1.00 20.00 C ATOM 796 OD1 ASP A 43 -48.194 -20.597 -0.426 1.00 20.00 O ATOM 797 OD2 ASP A 43 -48.153 -21.176 1.688 1.00 20.00 O ATOM 0 H ASP A 43 -46.484 -18.594 -1.272 1.00 20.00 H new ATOM 0 HA ASP A 43 -47.364 -18.046 1.370 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -45.642 -20.195 0.109 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -45.905 -20.141 1.841 1.00 20.00 H new ATOM 802 N GLU A 44 -44.182 -17.595 0.650 1.00 20.00 N ATOM 803 CA GLU A 44 -42.932 -17.015 1.117 1.00 20.00 C ATOM 804 C GLU A 44 -42.999 -15.491 1.086 1.00 20.00 C ATOM 805 O GLU A 44 -42.394 -14.822 1.922 1.00 20.00 O ATOM 806 CB GLU A 44 -41.756 -17.520 0.273 1.00 20.00 C ATOM 807 CG GLU A 44 -40.434 -16.839 0.594 1.00 20.00 C ATOM 808 CD GLU A 44 -39.282 -17.374 -0.230 1.00 20.00 C ATOM 809 OE1 GLU A 44 -39.455 -17.568 -1.450 1.00 20.00 O ATOM 810 OE2 GLU A 44 -38.197 -17.618 0.343 1.00 20.00 O ATOM 0 H GLU A 44 -44.161 -17.915 -0.318 1.00 20.00 H new ATOM 0 HA GLU A 44 -42.775 -17.328 2.149 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -41.647 -18.594 0.424 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -41.986 -17.368 -0.782 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -40.531 -15.767 0.421 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -40.210 -16.972 1.652 1.00 20.00 H new ATOM 817 N VAL A 45 -43.742 -14.945 0.124 1.00 20.00 N ATOM 818 CA VAL A 45 -43.945 -13.501 0.043 1.00 20.00 C ATOM 819 C VAL A 45 -44.511 -12.974 1.354 1.00 20.00 C ATOM 820 O VAL A 45 -44.019 -11.988 1.904 1.00 20.00 O ATOM 821 CB VAL A 45 -44.896 -13.109 -1.109 1.00 20.00 C ATOM 822 CG1 VAL A 45 -45.189 -11.619 -1.085 1.00 20.00 C ATOM 823 CG2 VAL A 45 -44.310 -13.503 -2.452 1.00 20.00 C ATOM 0 H VAL A 45 -44.211 -15.479 -0.607 1.00 20.00 H new ATOM 0 HA VAL A 45 -42.970 -13.055 -0.153 1.00 20.00 H new ATOM 0 HB VAL A 45 -45.832 -13.650 -0.966 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -45.861 -11.367 -1.906 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -45.659 -11.356 -0.137 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -44.258 -11.063 -1.195 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -44.998 -13.217 -3.247 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -43.357 -12.995 -2.596 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -44.154 -14.581 -2.478 1.00 20.00 H new ATOM 833 N GLU A 46 -45.529 -13.660 1.858 1.00 20.00 N ATOM 834 CA GLU A 46 -46.156 -13.293 3.122 1.00 20.00 C ATOM 835 C GLU A 46 -45.137 -13.337 4.256 1.00 20.00 C ATOM 836 O GLU A 46 -45.062 -12.419 5.071 1.00 20.00 O ATOM 837 CB GLU A 46 -47.325 -14.229 3.431 1.00 20.00 C ATOM 838 CG GLU A 46 -48.010 -13.928 4.754 1.00 20.00 C ATOM 839 CD GLU A 46 -49.176 -14.848 5.017 1.00 20.00 C ATOM 840 OE1 GLU A 46 -48.947 -15.978 5.496 1.00 20.00 O ATOM 841 OE2 GLU A 46 -50.325 -14.450 4.737 1.00 20.00 O ATOM 0 H GLU A 46 -45.940 -14.478 1.408 1.00 20.00 H new ATOM 0 HA GLU A 46 -46.536 -12.275 3.032 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -48.058 -14.159 2.627 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -46.963 -15.257 3.444 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -47.287 -14.021 5.564 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -48.358 -12.895 4.754 1.00 20.00 H new ATOM 848 N ARG A 47 -44.345 -14.401 4.284 1.00 20.00 N ATOM 849 CA ARG A 47 -43.317 -14.563 5.302 1.00 20.00 C ATOM 850 C ARG A 47 -42.308 -13.422 5.219 1.00 20.00 C ATOM 851 O ARG A 47 -41.947 -12.826 6.231 1.00 20.00 O ATOM 852 CB ARG A 47 -42.609 -15.912 5.130 1.00 20.00 C ATOM 853 CG ARG A 47 -41.539 -16.190 6.178 1.00 20.00 C ATOM 854 CD ARG A 47 -42.125 -16.236 7.582 1.00 20.00 C ATOM 855 NE ARG A 47 -43.121 -17.297 7.734 1.00 20.00 N ATOM 856 CZ ARG A 47 -44.252 -17.167 8.428 1.00 20.00 C ATOM 857 NH1 ARG A 47 -44.547 -16.018 9.022 1.00 20.00 N ATOM 858 NH2 ARG A 47 -45.088 -18.193 8.529 1.00 20.00 N ATOM 0 H ARG A 47 -44.396 -15.166 3.611 1.00 20.00 H new ATOM 0 HA ARG A 47 -43.790 -14.540 6.284 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -43.353 -16.708 5.166 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -42.152 -15.947 4.141 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -41.050 -17.139 5.956 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -40.772 -15.417 6.129 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -41.322 -16.388 8.303 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -42.583 -15.275 7.814 1.00 20.00 H new ATOM 0 HE ARG A 47 -42.939 -18.192 7.281 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -43.907 -15.227 8.949 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -45.414 -15.925 9.551 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -44.865 -19.079 8.076 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -45.954 -18.095 9.060 1.00 20.00 H new ATOM 872 N ARG A 48 -41.883 -13.108 4.002 1.00 20.00 N ATOM 873 CA ARG A 48 -40.909 -12.050 3.771 1.00 20.00 C ATOM 874 C ARG A 48 -41.470 -10.690 4.177 1.00 20.00 C ATOM 875 O ARG A 48 -40.752 -9.852 4.717 1.00 20.00 O ATOM 876 CB ARG A 48 -40.485 -12.025 2.300 1.00 20.00 C ATOM 877 CG ARG A 48 -39.390 -11.011 2.002 1.00 20.00 C ATOM 878 CD ARG A 48 -38.905 -11.101 0.562 1.00 20.00 C ATOM 879 NE ARG A 48 -39.928 -10.706 -0.405 1.00 20.00 N ATOM 880 CZ ARG A 48 -39.681 -10.523 -1.702 1.00 20.00 C ATOM 881 NH1 ARG A 48 -38.454 -10.703 -2.177 1.00 20.00 N ATOM 882 NH2 ARG A 48 -40.657 -10.155 -2.525 1.00 20.00 N ATOM 0 H ARG A 48 -42.201 -13.576 3.153 1.00 20.00 H new ATOM 0 HA ARG A 48 -40.035 -12.258 4.388 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -40.138 -13.018 2.013 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -41.355 -11.801 1.683 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -39.764 -10.006 2.196 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -38.551 -11.175 2.678 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -38.029 -10.465 0.438 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -38.589 -12.123 0.353 1.00 20.00 H new ATOM 0 HE ARG A 48 -40.881 -10.563 -0.070 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -37.700 -10.981 -1.549 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -38.266 -10.563 -3.170 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -41.601 -10.011 -2.165 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -40.463 -10.016 -3.517 1.00 20.00 H new ATOM 896 N MET A 49 -42.755 -10.479 3.923 1.00 20.00 N ATOM 897 CA MET A 49 -43.399 -9.217 4.269 1.00 20.00 C ATOM 898 C MET A 49 -43.599 -9.096 5.773 1.00 20.00 C ATOM 899 O MET A 49 -43.509 -8.001 6.334 1.00 20.00 O ATOM 900 CB MET A 49 -44.732 -9.072 3.543 1.00 20.00 C ATOM 901 CG MET A 49 -44.571 -8.812 2.058 1.00 20.00 C ATOM 902 SD MET A 49 -43.634 -7.307 1.725 1.00 20.00 S ATOM 903 CE MET A 49 -43.609 -7.316 -0.065 1.00 20.00 C ATOM 0 H MET A 49 -43.370 -11.162 3.481 1.00 20.00 H new ATOM 0 HA MET A 49 -42.740 -8.410 3.948 1.00 20.00 H new ATOM 0 HB2 MET A 49 -45.318 -9.980 3.686 1.00 20.00 H new ATOM 0 HB3 MET A 49 -45.296 -8.254 3.991 1.00 20.00 H new ATOM 0 HG2 MET A 49 -44.068 -9.661 1.595 1.00 20.00 H new ATOM 0 HG3 MET A 49 -45.555 -8.734 1.596 1.00 20.00 H new ATOM 0 HE1 MET A 49 -43.063 -6.444 -0.426 1.00 20.00 H new ATOM 0 HE2 MET A 49 -43.118 -8.223 -0.417 1.00 20.00 H new ATOM 0 HE3 MET A 49 -44.631 -7.286 -0.443 1.00 20.00 H new ATOM 913 N ALA A 50 -43.867 -10.220 6.421 1.00 20.00 N ATOM 914 CA ALA A 50 -43.959 -10.256 7.871 1.00 20.00 C ATOM 915 C ALA A 50 -42.601 -9.944 8.485 1.00 20.00 C ATOM 916 O ALA A 50 -42.497 -9.176 9.442 1.00 20.00 O ATOM 917 CB ALA A 50 -44.461 -11.614 8.337 1.00 20.00 C ATOM 0 H ALA A 50 -44.024 -11.119 5.965 1.00 20.00 H new ATOM 0 HA ALA A 50 -44.672 -9.500 8.200 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -44.524 -11.625 9.425 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -45.448 -11.802 7.914 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -43.771 -12.390 8.006 1.00 20.00 H new ATOM 923 N GLU A 51 -41.561 -10.529 7.904 1.00 20.00 N ATOM 924 CA GLU A 51 -40.192 -10.282 8.337 1.00 20.00 C ATOM 925 C GLU A 51 -39.777 -8.851 8.018 1.00 20.00 C ATOM 926 O GLU A 51 -38.947 -8.262 8.712 1.00 20.00 O ATOM 927 CB GLU A 51 -39.238 -11.267 7.657 1.00 20.00 C ATOM 928 CG GLU A 51 -39.436 -12.709 8.092 1.00 20.00 C ATOM 929 CD GLU A 51 -39.231 -12.897 9.576 1.00 20.00 C ATOM 930 OE1 GLU A 51 -38.070 -13.074 9.998 1.00 20.00 O ATOM 931 OE2 GLU A 51 -40.227 -12.865 10.330 1.00 20.00 O ATOM 0 H GLU A 51 -41.641 -11.183 7.125 1.00 20.00 H new ATOM 0 HA GLU A 51 -40.142 -10.425 9.416 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -39.371 -11.201 6.577 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -38.211 -10.970 7.870 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -40.442 -13.032 7.823 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -38.740 -13.348 7.548 1.00 20.00 H new ATOM 938 N ARG A 52 -40.351 -8.309 6.955 1.00 20.00 N ATOM 939 CA ARG A 52 -40.103 -6.933 6.553 1.00 20.00 C ATOM 940 C ARG A 52 -40.542 -5.976 7.651 1.00 20.00 C ATOM 941 O ARG A 52 -39.765 -5.139 8.105 1.00 20.00 O ATOM 942 CB ARG A 52 -40.860 -6.628 5.254 1.00 20.00 C ATOM 943 CG ARG A 52 -40.658 -5.216 4.729 1.00 20.00 C ATOM 944 CD ARG A 52 -39.245 -5.009 4.215 1.00 20.00 C ATOM 945 NE ARG A 52 -39.055 -3.668 3.667 1.00 20.00 N ATOM 946 CZ ARG A 52 -38.341 -3.405 2.576 1.00 20.00 C ATOM 947 NH1 ARG A 52 -37.777 -4.394 1.894 1.00 20.00 N ATOM 948 NH2 ARG A 52 -38.200 -2.152 2.164 1.00 20.00 N ATOM 0 H ARG A 52 -41.000 -8.809 6.348 1.00 20.00 H new ATOM 0 HA ARG A 52 -39.034 -6.801 6.383 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -40.544 -7.336 4.488 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -41.925 -6.792 5.421 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -41.370 -5.020 3.927 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -40.866 -4.499 5.523 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -38.536 -5.173 5.026 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -39.026 -5.750 3.446 1.00 20.00 H new ATOM 0 HE ARG A 52 -39.497 -2.886 4.150 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -37.891 -5.358 2.206 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -37.230 -4.190 1.058 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.639 -1.392 2.684 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -37.653 -1.949 1.328 1.00 20.00 H new ATOM 962 N PHE A 53 -41.784 -6.131 8.090 1.00 20.00 N ATOM 963 CA PHE A 53 -42.354 -5.255 9.101 1.00 20.00 C ATOM 964 C PHE A 53 -41.712 -5.504 10.460 1.00 20.00 C ATOM 965 O PHE A 53 -41.602 -4.596 11.278 1.00 20.00 O ATOM 966 CB PHE A 53 -43.867 -5.468 9.187 1.00 20.00 C ATOM 967 CG PHE A 53 -44.553 -4.551 10.163 1.00 20.00 C ATOM 968 CD1 PHE A 53 -44.718 -3.205 9.874 1.00 20.00 C ATOM 969 CD2 PHE A 53 -45.031 -5.036 11.371 1.00 20.00 C ATOM 970 CE1 PHE A 53 -45.347 -2.362 10.771 1.00 20.00 C ATOM 971 CE2 PHE A 53 -45.659 -4.196 12.270 1.00 20.00 C ATOM 972 CZ PHE A 53 -45.818 -2.859 11.969 1.00 20.00 C ATOM 0 H PHE A 53 -42.417 -6.859 7.759 1.00 20.00 H new ATOM 0 HA PHE A 53 -42.154 -4.223 8.813 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -44.302 -5.323 8.198 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -44.064 -6.501 9.473 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -44.351 -2.811 8.938 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -44.911 -6.082 11.612 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -45.470 -1.315 10.534 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -46.025 -4.586 13.208 1.00 20.00 H new ATOM 0 HZ PHE A 53 -46.311 -2.202 12.670 1.00 20.00 H new ATOM 982 N ALA A 54 -41.283 -6.736 10.689 1.00 20.00 N ATOM 983 CA ALA A 54 -40.705 -7.119 11.968 1.00 20.00 C ATOM 984 C ALA A 54 -39.396 -6.384 12.249 1.00 20.00 C ATOM 985 O ALA A 54 -39.321 -5.562 13.164 1.00 20.00 O ATOM 986 CB ALA A 54 -40.486 -8.620 12.010 1.00 20.00 C ATOM 0 H ALA A 54 -41.325 -7.490 10.003 1.00 20.00 H new ATOM 0 HA ALA A 54 -41.411 -6.833 12.748 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -40.053 -8.898 12.971 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -41.440 -9.131 11.881 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -39.807 -8.911 11.208 1.00 20.00 H new ATOM 992 N LYS A 55 -38.368 -6.670 11.459 1.00 20.00 N ATOM 993 CA LYS A 55 -37.051 -6.097 11.702 1.00 20.00 C ATOM 994 C LYS A 55 -36.996 -4.629 11.294 1.00 20.00 C ATOM 995 O LYS A 55 -36.491 -3.784 12.036 1.00 20.00 O ATOM 996 CB LYS A 55 -35.961 -6.902 10.985 1.00 20.00 C ATOM 997 CG LYS A 55 -36.205 -7.123 9.503 1.00 20.00 C ATOM 998 CD LYS A 55 -35.040 -7.856 8.861 1.00 20.00 C ATOM 999 CE LYS A 55 -35.371 -8.311 7.449 1.00 20.00 C ATOM 1000 NZ LYS A 55 -36.464 -9.317 7.439 1.00 20.00 N ATOM 0 H LYS A 55 -38.420 -7.290 10.651 1.00 20.00 H new ATOM 0 HA LYS A 55 -36.864 -6.150 12.775 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -35.008 -6.388 11.109 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -35.866 -7.872 11.472 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -37.121 -7.697 9.364 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -36.352 -6.163 9.008 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -34.168 -7.203 8.838 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -34.775 -8.721 9.469 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -35.663 -7.450 6.848 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -34.481 -8.736 6.985 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -36.571 -9.704 6.480 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -36.233 -10.087 8.099 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -37.354 -8.865 7.731 1.00 20.00 H new ATOM 1014 N MET A 56 -37.560 -4.316 10.137 1.00 20.00 N ATOM 1015 CA MET A 56 -37.506 -2.960 9.609 1.00 20.00 C ATOM 1016 C MET A 56 -38.605 -2.091 10.202 1.00 20.00 C ATOM 1017 O MET A 56 -38.876 -0.999 9.702 1.00 20.00 O ATOM 1018 CB MET A 56 -37.584 -2.952 8.082 1.00 20.00 C ATOM 1019 CG MET A 56 -36.369 -3.566 7.409 1.00 20.00 C ATOM 1020 SD MET A 56 -36.444 -3.461 5.614 1.00 20.00 S ATOM 1021 CE MET A 56 -34.917 -4.284 5.172 1.00 20.00 C ATOM 0 H MET A 56 -38.060 -4.981 9.546 1.00 20.00 H new ATOM 0 HA MET A 56 -36.544 -2.539 9.901 1.00 20.00 H new ATOM 0 HB2 MET A 56 -38.476 -3.495 7.769 1.00 20.00 H new ATOM 0 HB3 MET A 56 -37.699 -1.924 7.738 1.00 20.00 H new ATOM 0 HG2 MET A 56 -35.469 -3.061 7.761 1.00 20.00 H new ATOM 0 HG3 MET A 56 -36.284 -4.612 7.705 1.00 20.00 H new ATOM 0 HE1 MET A 56 -34.567 -3.909 4.210 1.00 20.00 H new ATOM 0 HE2 MET A 56 -34.163 -4.086 5.934 1.00 20.00 H new ATOM 0 HE3 MET A 56 -35.090 -5.358 5.102 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.254 -2.596 11.250 1.00 20.00 N ATOM 1032 CA ARG A 57 -40.219 -1.810 12.014 1.00 20.00 C ATOM 1033 C ARG A 57 -39.600 -0.471 12.389 1.00 20.00 C ATOM 1034 O ARG A 57 -40.247 0.575 12.330 1.00 20.00 O ATOM 1035 CB ARG A 57 -40.620 -2.551 13.292 1.00 20.00 C ATOM 1036 CG ARG A 57 -41.799 -1.926 14.019 1.00 20.00 C ATOM 1037 CD ARG A 57 -41.886 -2.407 15.459 1.00 20.00 C ATOM 1038 NE ARG A 57 -41.873 -3.865 15.564 1.00 20.00 N ATOM 1039 CZ ARG A 57 -41.484 -4.530 16.652 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -41.094 -3.866 17.738 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -41.492 -5.857 16.657 1.00 20.00 N ATOM 0 H ARG A 57 -39.128 -3.549 11.590 1.00 20.00 H new ATOM 0 HA ARG A 57 -41.106 -1.653 11.400 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -40.866 -3.583 13.041 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -39.764 -2.582 13.966 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -41.704 -0.840 14.002 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -42.723 -2.173 13.496 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.050 -1.998 16.027 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.799 -2.021 15.913 1.00 20.00 H new ATOM 0 HE ARG A 57 -42.180 -4.406 14.756 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -41.092 -2.846 17.739 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -40.797 -4.377 18.569 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -41.796 -6.368 15.828 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -41.194 -6.366 17.489 1.00 20.00 H new ATOM 1055 N LYS A 58 -38.329 -0.522 12.762 1.00 20.00 N ATOM 1056 CA LYS A 58 -37.588 0.671 13.126 1.00 20.00 C ATOM 1057 C LYS A 58 -36.246 0.711 12.403 1.00 20.00 C ATOM 1058 O LYS A 58 -35.796 1.776 11.983 1.00 20.00 O ATOM 1059 CB LYS A 58 -37.394 0.736 14.640 1.00 20.00 C ATOM 1060 CG LYS A 58 -38.699 0.884 15.408 1.00 20.00 C ATOM 1061 CD LYS A 58 -38.460 1.041 16.898 1.00 20.00 C ATOM 1062 CE LYS A 58 -39.763 1.232 17.658 1.00 20.00 C ATOM 1063 NZ LYS A 58 -39.527 1.481 19.103 1.00 20.00 N ATOM 0 H LYS A 58 -37.789 -1.385 12.820 1.00 20.00 H new ATOM 0 HA LYS A 58 -38.163 1.544 12.818 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -36.885 -0.168 14.973 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -36.742 1.576 14.880 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -39.245 1.750 15.034 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -39.327 0.011 15.230 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -37.942 0.161 17.279 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -37.807 1.896 17.074 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -40.314 2.069 17.230 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -40.387 0.346 17.539 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -40.439 1.606 19.587 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -39.023 0.671 19.517 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -38.953 2.341 19.218 1.00 20.00 H new ATOM 1077 N GLU A 59 -35.614 -0.454 12.248 1.00 20.00 N ATOM 1078 CA GLU A 59 -34.372 -0.561 11.489 1.00 20.00 C ATOM 1079 C GLU A 59 -33.992 -2.029 11.296 1.00 20.00 C ATOM 1080 O GLU A 59 -34.231 -2.602 10.234 1.00 20.00 O ATOM 1081 CB GLU A 59 -33.237 0.206 12.175 1.00 20.00 C ATOM 1082 CG GLU A 59 -31.980 0.307 11.328 1.00 20.00 C ATOM 1083 CD GLU A 59 -30.941 1.225 11.933 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -31.077 2.460 11.784 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -29.982 0.723 12.548 1.00 20.00 O ATOM 0 H GLU A 59 -35.944 -1.336 12.639 1.00 20.00 H new ATOM 0 HA GLU A 59 -34.533 -0.111 10.509 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -33.583 1.210 12.420 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -32.993 -0.286 13.117 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -31.551 -0.687 11.202 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -32.244 0.669 10.334 1.00 20.00 H new ATOM 1092 N ARG A 60 -33.415 -2.635 12.326 1.00 20.00 N ATOM 1093 CA ARG A 60 -33.063 -4.048 12.275 1.00 20.00 C ATOM 1094 C ARG A 60 -33.701 -4.814 13.430 1.00 20.00 C ATOM 1095 O ARG A 60 -34.217 -5.913 13.242 1.00 20.00 O ATOM 1096 CB ARG A 60 -31.542 -4.233 12.302 1.00 20.00 C ATOM 1097 CG ARG A 60 -31.113 -5.693 12.268 1.00 20.00 C ATOM 1098 CD ARG A 60 -29.601 -5.838 12.307 1.00 20.00 C ATOM 1099 NE ARG A 60 -29.188 -7.241 12.326 1.00 20.00 N ATOM 1100 CZ ARG A 60 -27.989 -7.668 11.937 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -27.093 -6.804 11.475 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -27.688 -8.959 12.007 1.00 20.00 N ATOM 0 H ARG A 60 -33.181 -2.172 13.204 1.00 20.00 H new ATOM 0 HA ARG A 60 -33.448 -4.450 11.338 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -31.104 -3.713 11.450 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -31.142 -3.765 13.201 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -31.551 -6.220 13.116 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -31.500 -6.165 11.365 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -29.166 -5.343 11.438 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -29.210 -5.333 13.190 1.00 20.00 H new ATOM 0 HE ARG A 60 -29.859 -7.934 12.657 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -27.323 -5.812 11.418 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -26.174 -7.132 11.177 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -28.376 -9.625 12.359 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -26.769 -9.285 11.709 1.00 20.00 H new ATOM 1116 N SER A 61 -33.658 -4.244 14.627 1.00 20.00 N ATOM 1117 CA SER A 61 -34.255 -4.891 15.787 1.00 20.00 C ATOM 1118 C SER A 61 -34.450 -3.895 16.928 1.00 20.00 C ATOM 1119 O SER A 61 -33.513 -3.620 17.676 1.00 20.00 O ATOM 1120 CB SER A 61 -33.373 -6.056 16.256 1.00 20.00 C ATOM 1121 OG SER A 61 -34.014 -6.816 17.268 1.00 20.00 O ATOM 0 H SER A 61 -33.220 -3.343 14.819 1.00 20.00 H new ATOM 0 HA SER A 61 -35.232 -5.276 15.495 1.00 20.00 H new ATOM 0 HB2 SER A 61 -33.138 -6.700 15.409 1.00 20.00 H new ATOM 0 HB3 SER A 61 -32.427 -5.669 16.634 1.00 20.00 H new ATOM 0 HG SER A 61 -33.429 -7.551 17.545 1.00 20.00 H new ATOM 1127 N LYS A 62 -35.672 -3.361 17.045 1.00 20.00 N ATOM 1128 CA LYS A 62 -36.034 -2.431 18.122 1.00 20.00 C ATOM 1129 C LYS A 62 -35.035 -1.280 18.235 1.00 20.00 C ATOM 1130 O LYS A 62 -34.200 -1.251 19.140 1.00 20.00 O ATOM 1131 CB LYS A 62 -36.130 -3.170 19.461 1.00 20.00 C ATOM 1132 CG LYS A 62 -37.178 -4.270 19.479 1.00 20.00 C ATOM 1133 CD LYS A 62 -37.292 -4.916 20.853 1.00 20.00 C ATOM 1134 CE LYS A 62 -35.989 -5.580 21.275 1.00 20.00 C ATOM 1135 NZ LYS A 62 -36.117 -6.273 22.585 1.00 20.00 N ATOM 0 H LYS A 62 -36.435 -3.560 16.398 1.00 20.00 H new ATOM 0 HA LYS A 62 -37.008 -2.010 17.873 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -35.158 -3.603 19.697 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -36.358 -2.450 20.247 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -38.144 -3.857 19.190 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -36.922 -5.029 18.740 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -37.570 -4.160 21.588 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -38.091 -5.658 20.841 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -35.684 -6.298 20.513 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -35.202 -4.828 21.338 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -35.208 -6.712 22.836 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -36.383 -5.584 23.318 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -36.850 -7.008 22.519 1.00 20.00 H new ATOM 1149 N GLN A 63 -35.120 -0.335 17.314 1.00 20.00 N ATOM 1150 CA GLN A 63 -34.183 0.776 17.281 1.00 20.00 C ATOM 1151 C GLN A 63 -34.909 2.087 17.017 1.00 20.00 C ATOM 1152 O GLN A 63 -35.329 2.741 17.994 1.00 20.00 O ATOM 1153 CB GLN A 63 -33.128 0.528 16.206 1.00 20.00 C ATOM 1154 CG GLN A 63 -32.225 -0.652 16.509 1.00 20.00 C ATOM 1155 CD GLN A 63 -31.399 -1.061 15.317 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -31.821 -1.903 14.525 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -30.227 -0.467 15.176 1.00 20.00 N ATOM 1158 OXT GLN A 63 -35.063 2.457 15.837 1.00 20.00 O ATOM 0 H GLN A 63 -35.828 -0.314 16.580 1.00 20.00 H new ATOM 0 HA GLN A 63 -33.694 0.850 18.252 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -33.626 0.359 15.251 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -32.517 1.424 16.093 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -31.563 -0.397 17.337 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -32.832 -1.497 16.835 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -29.921 0.225 15.860 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -29.629 -0.701 14.384 1.00 20.00 H new TER 1167 GLN A 63