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 Single : A 1 LYS NZ :NH3+ 168:sc=-0.00434 (180deg=-0.18) USER MOD Single : A 2 ASN : amide:sc= 0.633 K(o=0.63,f=-9.7!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.137 USER MOD Single : A 8 MET CE :methyl 169:sc=-0.00575 (180deg=-0.174) 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+ 171:sc= -0.116 (180deg=-0.334) USER MOD Single : A 10 SER OG : rot 58:sc= 0.00458 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 ASN : amide:sc= -2.31! K(o=-2.3!,f=-1) USER MOD Single : A 20 SER OG : rot 78:sc= 0.598 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.022) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0155) USER MOD Single : A 56 MET CE :methyl 157:sc= -0.166 (180deg=-0.758) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 0.992 (180deg=0.794) USER MOD Single : A 61 SER OG : rot 180:sc= -0.144 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.761 K(o=0.76,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -39.373 24.155 20.285 1.00 20.00 N ATOM 2 CA MET A -7 -38.467 23.548 21.292 1.00 20.00 C ATOM 3 C MET A -7 -37.036 24.038 21.100 1.00 20.00 C ATOM 4 O MET A -7 -36.094 23.458 21.644 1.00 20.00 O ATOM 5 CB MET A -7 -38.508 22.017 21.194 1.00 20.00 C ATOM 6 CG MET A -7 -37.949 21.472 19.889 1.00 20.00 C ATOM 7 SD MET A -7 -38.094 19.680 19.762 1.00 20.00 S ATOM 8 CE MET A -7 -37.348 19.406 18.156 1.00 20.00 C ATOM 0 H1 MET A -7 -40.305 23.696 20.335 1.00 20.00 H new ATOM 0 H2 MET A -7 -39.477 25.171 20.479 1.00 20.00 H new ATOM 0 H3 MET A -7 -38.973 24.023 19.334 1.00 20.00 H new ATOM 0 HA MET A -7 -38.810 23.852 22.281 1.00 20.00 H new ATOM 0 HB2 MET A -7 -37.944 21.593 22.025 1.00 20.00 H new ATOM 0 HB3 MET A -7 -39.539 21.682 21.305 1.00 20.00 H new ATOM 0 HG2 MET A -7 -38.474 21.935 19.053 1.00 20.00 H new ATOM 0 HG3 MET A -7 -36.900 21.754 19.802 1.00 20.00 H new ATOM 0 HE1 MET A -7 -37.360 18.341 17.926 1.00 20.00 H new ATOM 0 HE2 MET A -7 -37.912 19.947 17.396 1.00 20.00 H new ATOM 0 HE3 MET A -7 -36.318 19.763 18.167 1.00 20.00 H new ATOM 20 N ASP A -6 -36.870 25.107 20.331 1.00 20.00 N ATOM 21 CA ASP A -6 -35.547 25.648 20.054 1.00 20.00 C ATOM 22 C ASP A -6 -35.480 27.118 20.438 1.00 20.00 C ATOM 23 O ASP A -6 -35.025 27.467 21.526 1.00 20.00 O ATOM 24 CB ASP A -6 -35.182 25.484 18.574 1.00 20.00 C ATOM 25 CG ASP A -6 -34.971 24.038 18.175 1.00 20.00 C ATOM 26 OD1 ASP A -6 -35.958 23.369 17.804 1.00 20.00 O ATOM 27 OD2 ASP A -6 -33.813 23.568 18.216 1.00 20.00 O ATOM 0 H ASP A -6 -37.635 25.616 19.889 1.00 20.00 H new ATOM 0 HA ASP A -6 -34.829 25.088 20.653 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -35.974 25.913 17.960 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -34.274 26.050 18.364 1.00 20.00 H new ATOM 32 N TYR A -5 -35.962 27.972 19.548 1.00 20.00 N ATOM 33 CA TYR A -5 -35.946 29.409 19.773 1.00 20.00 C ATOM 34 C TYR A -5 -36.888 30.083 18.780 1.00 20.00 C ATOM 35 O TYR A -5 -37.356 29.438 17.838 1.00 20.00 O ATOM 36 CB TYR A -5 -34.516 29.954 19.622 1.00 20.00 C ATOM 37 CG TYR A -5 -34.335 31.377 20.113 1.00 20.00 C ATOM 38 CD1 TYR A -5 -34.448 31.687 21.463 1.00 20.00 C ATOM 39 CD2 TYR A -5 -34.046 32.405 19.227 1.00 20.00 C ATOM 40 CE1 TYR A -5 -34.280 32.983 21.913 1.00 20.00 C ATOM 41 CE2 TYR A -5 -33.876 33.703 19.672 1.00 20.00 C ATOM 42 CZ TYR A -5 -33.993 33.986 21.013 1.00 20.00 C ATOM 43 OH TYR A -5 -33.823 35.277 21.457 1.00 20.00 O ATOM 0 H TYR A -5 -36.372 27.692 18.657 1.00 20.00 H new ATOM 0 HA TYR A -5 -36.284 29.624 20.787 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -33.833 29.304 20.168 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -34.230 29.906 18.571 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -34.671 30.903 22.172 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -33.952 32.188 18.173 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -34.373 33.208 22.965 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -33.652 34.492 18.969 1.00 20.00 H new ATOM 0 HH TYR A -5 -33.625 35.861 20.696 1.00 20.00 H new ATOM 53 N LYS A -4 -37.171 31.365 19.006 1.00 20.00 N ATOM 54 CA LYS A -4 -38.048 32.144 18.134 1.00 20.00 C ATOM 55 C LYS A -4 -39.447 31.534 18.128 1.00 20.00 C ATOM 56 O LYS A -4 -39.948 31.068 17.101 1.00 20.00 O ATOM 57 CB LYS A -4 -37.467 32.216 16.716 1.00 20.00 C ATOM 58 CG LYS A -4 -38.184 33.200 15.801 1.00 20.00 C ATOM 59 CD LYS A -4 -37.562 33.228 14.414 1.00 20.00 C ATOM 60 CE LYS A -4 -36.122 33.716 14.452 1.00 20.00 C ATOM 61 NZ LYS A -4 -35.497 33.705 13.105 1.00 20.00 N ATOM 0 H LYS A -4 -36.800 31.892 19.797 1.00 20.00 H new ATOM 0 HA LYS A -4 -38.119 33.163 18.515 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -36.415 32.495 16.779 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -37.507 31.223 16.267 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -39.236 32.926 15.723 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -38.146 34.198 16.238 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -37.596 32.229 13.980 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -38.149 33.878 13.765 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -36.092 34.727 14.858 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -35.543 33.085 15.126 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -34.516 34.044 13.175 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -35.502 32.736 12.728 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -36.034 34.327 12.468 1.00 20.00 H new ATOM 75 N ASP A -3 -40.072 31.539 19.295 1.00 20.00 N ATOM 76 CA ASP A -3 -41.365 30.899 19.484 1.00 20.00 C ATOM 77 C ASP A -3 -42.511 31.882 19.254 1.00 20.00 C ATOM 78 O ASP A -3 -43.397 32.037 20.094 1.00 20.00 O ATOM 79 CB ASP A -3 -41.452 30.276 20.888 1.00 20.00 C ATOM 80 CG ASP A -3 -41.293 31.286 22.013 1.00 20.00 C ATOM 81 OD1 ASP A -3 -40.254 31.985 22.059 1.00 20.00 O ATOM 82 OD2 ASP A -3 -42.200 31.379 22.869 1.00 20.00 O ATOM 0 H ASP A -3 -39.700 31.984 20.134 1.00 20.00 H new ATOM 0 HA ASP A -3 -41.461 30.105 18.744 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -42.414 29.774 20.995 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -40.681 29.512 20.986 1.00 20.00 H new ATOM 87 N ASP A -2 -42.484 32.553 18.105 1.00 20.00 N ATOM 88 CA ASP A -2 -43.583 33.432 17.702 1.00 20.00 C ATOM 89 C ASP A -2 -44.859 32.630 17.528 1.00 20.00 C ATOM 90 O ASP A -2 -45.953 33.084 17.858 1.00 20.00 O ATOM 91 CB ASP A -2 -43.260 34.167 16.400 1.00 20.00 C ATOM 92 CG ASP A -2 -42.305 35.318 16.605 1.00 20.00 C ATOM 93 OD1 ASP A -2 -42.771 36.420 16.963 1.00 20.00 O ATOM 94 OD2 ASP A -2 -41.087 35.134 16.405 1.00 20.00 O ATOM 0 H ASP A -2 -41.715 32.506 17.436 1.00 20.00 H new ATOM 0 HA ASP A -2 -43.721 34.172 18.490 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -42.828 33.464 15.688 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -44.184 34.541 15.959 1.00 20.00 H new ATOM 99 N ASP A -1 -44.708 31.430 16.999 1.00 20.00 N ATOM 100 CA ASP A -1 -45.821 30.509 16.893 1.00 20.00 C ATOM 101 C ASP A -1 -45.802 29.543 18.068 1.00 20.00 C ATOM 102 O ASP A -1 -45.317 28.417 17.968 1.00 20.00 O ATOM 103 CB ASP A -1 -45.789 29.747 15.565 1.00 20.00 C ATOM 104 CG ASP A -1 -46.871 28.684 15.485 1.00 20.00 C ATOM 105 OD1 ASP A -1 -48.063 29.032 15.603 1.00 20.00 O ATOM 106 OD2 ASP A -1 -46.531 27.496 15.306 1.00 20.00 O ATOM 0 H ASP A -1 -43.825 31.071 16.636 1.00 20.00 H new ATOM 0 HA ASP A -1 -46.747 31.083 16.918 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -45.912 30.451 14.742 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -44.813 29.279 15.441 1.00 20.00 H new ATOM 111 N ASP A 0 -46.305 30.012 19.198 1.00 20.00 N ATOM 112 CA ASP A 0 -46.420 29.186 20.391 1.00 20.00 C ATOM 113 C ASP A 0 -47.730 28.413 20.357 1.00 20.00 C ATOM 114 O ASP A 0 -48.052 27.660 21.277 1.00 20.00 O ATOM 115 CB ASP A 0 -46.342 30.049 21.654 1.00 20.00 C ATOM 116 CG ASP A 0 -47.459 31.067 21.735 1.00 20.00 C ATOM 117 OD1 ASP A 0 -47.412 32.069 20.990 1.00 20.00 O ATOM 118 OD2 ASP A 0 -48.393 30.872 22.540 1.00 20.00 O ATOM 0 H ASP A 0 -46.643 30.967 19.315 1.00 20.00 H new ATOM 0 HA ASP A 0 -45.590 28.479 20.411 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -46.379 29.405 22.532 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -45.383 30.566 21.678 1.00 20.00 H new ATOM 123 N LYS A 1 -48.479 28.606 19.278 1.00 20.00 N ATOM 124 CA LYS A 1 -49.748 27.919 19.076 1.00 20.00 C ATOM 125 C LYS A 1 -49.503 26.493 18.590 1.00 20.00 C ATOM 126 O LYS A 1 -50.428 25.683 18.499 1.00 20.00 O ATOM 127 CB LYS A 1 -50.602 28.677 18.053 1.00 20.00 C ATOM 128 CG LYS A 1 -50.935 30.104 18.470 1.00 20.00 C ATOM 129 CD LYS A 1 -51.674 30.857 17.372 1.00 20.00 C ATOM 130 CE LYS A 1 -53.054 30.271 17.110 1.00 20.00 C ATOM 131 NZ LYS A 1 -53.950 30.405 18.290 1.00 20.00 N ATOM 0 H LYS A 1 -48.225 29.241 18.521 1.00 20.00 H new ATOM 0 HA LYS A 1 -50.280 27.883 20.027 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -50.075 28.700 17.099 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -51.530 28.129 17.891 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -51.546 30.086 19.372 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -50.015 30.634 18.718 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -51.773 31.905 17.654 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -51.087 30.828 16.454 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -53.505 30.773 16.254 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -52.957 29.218 16.847 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -54.927 30.184 18.011 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -53.645 29.746 19.034 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -53.905 31.379 18.651 1.00 20.00 H new ATOM 145 N ASN A 2 -48.242 26.210 18.270 1.00 20.00 N ATOM 146 CA ASN A 2 -47.818 24.890 17.812 1.00 20.00 C ATOM 147 C ASN A 2 -48.192 23.831 18.847 1.00 20.00 C ATOM 148 O ASN A 2 -47.981 24.023 20.045 1.00 20.00 O ATOM 149 CB ASN A 2 -46.300 24.900 17.577 1.00 20.00 C ATOM 150 CG ASN A 2 -45.785 23.678 16.833 1.00 20.00 C ATOM 151 OD1 ASN A 2 -46.307 22.573 16.974 1.00 20.00 O ATOM 152 ND2 ASN A 2 -44.752 23.875 16.028 1.00 20.00 N ATOM 0 H ASN A 2 -47.485 26.891 18.321 1.00 20.00 H new ATOM 0 HA ASN A 2 -48.323 24.648 16.877 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -46.035 25.795 17.014 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -45.793 24.968 18.540 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -44.362 23.095 15.498 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -44.346 24.806 15.938 1.00 20.00 H new ATOM 159 N ARG A 3 -48.750 22.720 18.384 1.00 20.00 N ATOM 160 CA ARG A 3 -49.255 21.689 19.279 1.00 20.00 C ATOM 161 C ARG A 3 -48.112 20.837 19.829 1.00 20.00 C ATOM 162 O ARG A 3 -48.283 20.099 20.801 1.00 20.00 O ATOM 163 CB ARG A 3 -50.278 20.811 18.545 1.00 20.00 C ATOM 164 CG ARG A 3 -51.057 19.870 19.451 1.00 20.00 C ATOM 165 CD ARG A 3 -51.860 20.639 20.489 1.00 20.00 C ATOM 166 NE ARG A 3 -52.682 19.755 21.311 1.00 20.00 N ATOM 167 CZ ARG A 3 -53.507 20.180 22.263 1.00 20.00 C ATOM 168 NH1 ARG A 3 -53.608 21.477 22.527 1.00 20.00 N ATOM 169 NH2 ARG A 3 -54.228 19.306 22.955 1.00 20.00 N ATOM 0 H ARG A 3 -48.864 22.510 17.392 1.00 20.00 H new ATOM 0 HA ARG A 3 -49.748 22.173 20.122 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -50.982 21.456 18.019 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -49.758 20.222 17.789 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -51.729 19.257 18.850 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -50.367 19.191 19.952 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -51.180 21.201 21.129 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -52.499 21.366 19.987 1.00 20.00 H new ATOM 0 HE ARG A 3 -52.619 18.751 21.145 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -53.052 22.150 21.999 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -54.242 21.801 23.258 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -54.149 18.309 22.756 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -54.861 19.632 23.685 1.00 20.00 H new ATOM 183 N ALA A 4 -46.947 20.958 19.190 1.00 20.00 N ATOM 184 CA ALA A 4 -45.732 20.247 19.593 1.00 20.00 C ATOM 185 C ALA A 4 -45.894 18.735 19.462 1.00 20.00 C ATOM 186 O ALA A 4 -45.138 17.963 20.051 1.00 20.00 O ATOM 187 CB ALA A 4 -45.330 20.629 21.013 1.00 20.00 C ATOM 0 H ALA A 4 -46.819 21.556 18.373 1.00 20.00 H new ATOM 0 HA ALA A 4 -44.934 20.549 18.915 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -44.425 20.090 21.293 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -45.143 21.702 21.062 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -46.134 20.369 21.701 1.00 20.00 H new ATOM 193 N LEU A 5 -46.864 18.316 18.664 1.00 20.00 N ATOM 194 CA LEU A 5 -47.137 16.902 18.470 1.00 20.00 C ATOM 195 C LEU A 5 -46.259 16.363 17.345 1.00 20.00 C ATOM 196 O LEU A 5 -46.724 16.109 16.232 1.00 20.00 O ATOM 197 CB LEU A 5 -48.625 16.693 18.153 1.00 20.00 C ATOM 198 CG LEU A 5 -49.228 15.349 18.594 1.00 20.00 C ATOM 199 CD1 LEU A 5 -50.736 15.374 18.430 1.00 20.00 C ATOM 200 CD2 LEU A 5 -48.641 14.186 17.807 1.00 20.00 C ATOM 0 H LEU A 5 -47.477 18.939 18.138 1.00 20.00 H new ATOM 0 HA LEU A 5 -46.905 16.356 19.385 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -49.192 17.495 18.625 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -48.764 16.795 17.077 1.00 20.00 H new ATOM 0 HG LEU A 5 -48.979 15.203 19.645 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -51.152 14.417 18.745 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -51.155 16.172 19.043 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -50.985 15.551 17.384 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -49.091 13.253 18.146 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -48.848 14.324 16.746 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -47.563 14.147 17.965 1.00 20.00 H new ATOM 212 N SER A 6 -44.974 16.234 17.630 1.00 20.00 N ATOM 213 CA SER A 6 -44.024 15.703 16.669 1.00 20.00 C ATOM 214 C SER A 6 -42.847 15.059 17.390 1.00 20.00 C ATOM 215 O SER A 6 -41.880 15.737 17.742 1.00 20.00 O ATOM 216 CB SER A 6 -43.531 16.816 15.740 1.00 20.00 C ATOM 217 OG SER A 6 -44.619 17.441 15.078 1.00 20.00 O ATOM 0 H SER A 6 -44.563 16.492 18.527 1.00 20.00 H new ATOM 0 HA SER A 6 -44.524 14.943 16.069 1.00 20.00 H new ATOM 0 HB2 SER A 6 -42.976 17.557 16.316 1.00 20.00 H new ATOM 0 HB3 SER A 6 -42.841 16.402 15.004 1.00 20.00 H new ATOM 0 HG SER A 6 -44.281 18.150 14.491 1.00 20.00 H new ATOM 223 N PRO A 7 -42.928 13.745 17.649 1.00 20.00 N ATOM 224 CA PRO A 7 -41.841 12.998 18.284 1.00 20.00 C ATOM 225 C PRO A 7 -40.584 13.005 17.424 1.00 20.00 C ATOM 226 O PRO A 7 -39.486 13.256 17.924 1.00 20.00 O ATOM 227 CB PRO A 7 -42.393 11.568 18.406 1.00 20.00 C ATOM 228 CG PRO A 7 -43.869 11.705 18.256 1.00 20.00 C ATOM 229 CD PRO A 7 -44.088 12.888 17.355 1.00 20.00 C ATOM 0 HA PRO A 7 -41.553 13.431 19.242 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -41.978 10.918 17.636 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -42.134 11.127 19.369 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -44.303 10.802 17.826 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -44.347 11.858 19.224 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -44.119 12.596 16.305 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -45.029 13.393 17.573 1.00 20.00 H new ATOM 237 N MET A 8 -40.771 12.749 16.128 1.00 20.00 N ATOM 238 CA MET A 8 -39.682 12.713 15.157 1.00 20.00 C ATOM 239 C MET A 8 -38.533 11.832 15.637 1.00 20.00 C ATOM 240 O MET A 8 -37.493 12.318 16.086 1.00 20.00 O ATOM 241 CB MET A 8 -39.183 14.126 14.837 1.00 20.00 C ATOM 242 CG MET A 8 -38.074 14.155 13.792 1.00 20.00 C ATOM 243 SD MET A 8 -38.552 13.370 12.237 1.00 20.00 S ATOM 244 CE MET A 8 -39.800 14.514 11.649 1.00 20.00 C ATOM 0 H MET A 8 -41.688 12.560 15.723 1.00 20.00 H new ATOM 0 HA MET A 8 -40.077 12.274 14.241 1.00 20.00 H new ATOM 0 HB2 MET A 8 -40.021 14.728 14.484 1.00 20.00 H new ATOM 0 HB3 MET A 8 -38.820 14.591 15.754 1.00 20.00 H new ATOM 0 HG2 MET A 8 -37.791 15.190 13.599 1.00 20.00 H new ATOM 0 HG3 MET A 8 -37.193 13.653 14.191 1.00 20.00 H new ATOM 0 HE1 MET A 8 -40.052 14.278 10.615 1.00 20.00 H new ATOM 0 HE2 MET A 8 -40.693 14.428 12.268 1.00 20.00 H new ATOM 0 HE3 MET A 8 -39.416 15.532 11.706 1.00 20.00 H new ATOM 254 N VAL A 9 -38.737 10.534 15.556 1.00 20.00 N ATOM 255 CA VAL A 9 -37.704 9.585 15.904 1.00 20.00 C ATOM 256 C VAL A 9 -37.611 8.502 14.833 1.00 20.00 C ATOM 257 O VAL A 9 -38.486 7.646 14.705 1.00 20.00 O ATOM 258 CB VAL A 9 -37.938 8.974 17.307 1.00 20.00 C ATOM 259 CG1 VAL A 9 -39.329 8.370 17.436 1.00 20.00 C ATOM 260 CG2 VAL A 9 -36.868 7.944 17.632 1.00 20.00 C ATOM 0 H VAL A 9 -39.614 10.112 15.250 1.00 20.00 H new ATOM 0 HA VAL A 9 -36.752 10.114 15.947 1.00 20.00 H new ATOM 0 HB VAL A 9 -37.868 9.785 18.032 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -39.453 7.952 18.435 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -40.078 9.144 17.271 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -39.453 7.581 16.695 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -37.052 7.528 18.622 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -36.896 7.145 16.892 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -35.888 8.420 17.615 1.00 20.00 H new ATOM 270 N SER A 10 -36.557 8.572 14.041 1.00 20.00 N ATOM 271 CA SER A 10 -36.369 7.650 12.938 1.00 20.00 C ATOM 272 C SER A 10 -35.066 6.878 13.102 1.00 20.00 C ATOM 273 O SER A 10 -34.143 7.005 12.298 1.00 20.00 O ATOM 274 CB SER A 10 -36.387 8.416 11.612 1.00 20.00 C ATOM 275 OG SER A 10 -35.542 9.558 11.668 1.00 20.00 O ATOM 0 H SER A 10 -35.814 9.263 14.143 1.00 20.00 H new ATOM 0 HA SER A 10 -37.187 6.929 12.935 1.00 20.00 H new ATOM 0 HB2 SER A 10 -36.063 7.759 10.805 1.00 20.00 H new ATOM 0 HB3 SER A 10 -37.406 8.725 11.381 1.00 20.00 H new ATOM 0 HG SER A 10 -34.627 9.278 11.880 1.00 20.00 H new ATOM 281 N GLU A 11 -34.996 6.077 14.151 1.00 20.00 N ATOM 282 CA GLU A 11 -33.807 5.288 14.432 1.00 20.00 C ATOM 283 C GLU A 11 -34.014 3.858 13.963 1.00 20.00 C ATOM 284 O GLU A 11 -33.579 2.905 14.610 1.00 20.00 O ATOM 285 CB GLU A 11 -33.480 5.313 15.925 1.00 20.00 C ATOM 286 CG GLU A 11 -33.228 6.706 16.472 1.00 20.00 C ATOM 287 CD GLU A 11 -32.793 6.688 17.920 1.00 20.00 C ATOM 288 OE1 GLU A 11 -31.620 6.362 18.185 1.00 20.00 O ATOM 289 OE2 GLU A 11 -33.621 7.000 18.806 1.00 20.00 O ATOM 0 H GLU A 11 -35.751 5.955 14.825 1.00 20.00 H new ATOM 0 HA GLU A 11 -32.966 5.723 13.892 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -34.304 4.860 16.476 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -32.599 4.697 16.105 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -32.461 7.196 15.871 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -34.136 7.301 16.376 1.00 20.00 H new ATOM 296 N PHE A 12 -34.693 3.724 12.836 1.00 20.00 N ATOM 297 CA PHE A 12 -34.991 2.423 12.268 1.00 20.00 C ATOM 298 C PHE A 12 -33.703 1.700 11.882 1.00 20.00 C ATOM 299 O PHE A 12 -32.859 2.244 11.170 1.00 20.00 O ATOM 300 CB PHE A 12 -35.924 2.563 11.053 1.00 20.00 C ATOM 301 CG PHE A 12 -35.341 3.329 9.889 1.00 20.00 C ATOM 302 CD1 PHE A 12 -35.213 4.710 9.936 1.00 20.00 C ATOM 303 CD2 PHE A 12 -34.927 2.665 8.741 1.00 20.00 C ATOM 304 CE1 PHE A 12 -34.682 5.410 8.868 1.00 20.00 C ATOM 305 CE2 PHE A 12 -34.398 3.360 7.672 1.00 20.00 C ATOM 306 CZ PHE A 12 -34.276 4.734 7.736 1.00 20.00 C ATOM 0 H PHE A 12 -35.051 4.510 12.293 1.00 20.00 H new ATOM 0 HA PHE A 12 -35.504 1.827 13.023 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -36.203 1.566 10.710 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -36.841 3.058 11.372 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -35.532 5.245 10.818 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -35.020 1.591 8.684 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -34.585 6.484 8.920 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -34.080 2.830 6.787 1.00 20.00 H new ATOM 0 HZ PHE A 12 -33.863 5.279 6.900 1.00 20.00 H new ATOM 316 N GLU A 13 -33.552 0.480 12.366 1.00 20.00 N ATOM 317 CA GLU A 13 -32.371 -0.320 12.073 1.00 20.00 C ATOM 318 C GLU A 13 -32.636 -1.222 10.877 1.00 20.00 C ATOM 319 O GLU A 13 -32.245 -2.392 10.859 1.00 20.00 O ATOM 320 CB GLU A 13 -31.973 -1.158 13.289 1.00 20.00 C ATOM 321 CG GLU A 13 -31.506 -0.332 14.478 1.00 20.00 C ATOM 322 CD GLU A 13 -30.303 0.528 14.148 1.00 20.00 C ATOM 323 OE1 GLU A 13 -29.276 -0.030 13.706 1.00 20.00 O ATOM 324 OE2 GLU A 13 -30.376 1.762 14.335 1.00 20.00 O ATOM 0 H GLU A 13 -34.235 0.018 12.967 1.00 20.00 H new ATOM 0 HA GLU A 13 -31.547 0.352 11.834 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -32.824 -1.767 13.593 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -31.177 -1.845 13.001 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -32.323 0.305 14.817 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -31.257 -0.998 15.304 1.00 20.00 H new ATOM 331 N THR A 14 -33.320 -0.671 9.893 1.00 20.00 N ATOM 332 CA THR A 14 -33.671 -1.402 8.692 1.00 20.00 C ATOM 333 C THR A 14 -33.389 -0.571 7.447 1.00 20.00 C ATOM 334 O THR A 14 -34.305 -0.134 6.748 1.00 20.00 O ATOM 335 CB THR A 14 -35.153 -1.820 8.719 1.00 20.00 C ATOM 336 OG1 THR A 14 -35.953 -0.740 9.220 1.00 20.00 O ATOM 337 CG2 THR A 14 -35.358 -3.053 9.582 1.00 20.00 C ATOM 0 H THR A 14 -33.647 0.295 9.904 1.00 20.00 H new ATOM 0 HA THR A 14 -33.054 -2.300 8.659 1.00 20.00 H new ATOM 0 HB THR A 14 -35.458 -2.061 7.701 1.00 20.00 H new ATOM 0 HG1 THR A 14 -36.895 -1.010 9.234 1.00 20.00 H new ATOM 0 HG21 THR A 14 -36.413 -3.325 9.583 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.770 -3.879 9.182 1.00 20.00 H new ATOM 0 HG23 THR A 14 -35.037 -2.841 10.602 1.00 20.00 H new ATOM 345 N ILE A 15 -32.113 -0.341 7.193 1.00 20.00 N ATOM 346 CA ILE A 15 -31.681 0.393 6.019 1.00 20.00 C ATOM 347 C ILE A 15 -31.273 -0.589 4.923 1.00 20.00 C ATOM 348 O ILE A 15 -30.551 -1.553 5.177 1.00 20.00 O ATOM 349 CB ILE A 15 -30.497 1.325 6.368 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.934 2.388 7.382 1.00 20.00 C ATOM 351 CG2 ILE A 15 -29.930 1.978 5.119 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.812 3.292 7.839 1.00 20.00 C ATOM 0 H ILE A 15 -31.351 -0.657 7.793 1.00 20.00 H new ATOM 0 HA ILE A 15 -32.507 1.008 5.662 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.710 0.720 6.817 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.722 2.997 6.939 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -31.366 1.892 8.251 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -29.099 2.628 5.393 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.577 1.207 4.434 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.707 2.568 4.632 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.198 4.018 8.555 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.033 2.694 8.312 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.395 3.817 6.980 1.00 20.00 H new ATOM 364 N GLU A 16 -31.752 -0.336 3.704 1.00 20.00 N ATOM 365 CA GLU A 16 -31.531 -1.240 2.573 1.00 20.00 C ATOM 366 C GLU A 16 -30.049 -1.396 2.265 1.00 20.00 C ATOM 367 O GLU A 16 -29.618 -2.427 1.758 1.00 20.00 O ATOM 368 CB GLU A 16 -32.260 -0.731 1.330 1.00 20.00 C ATOM 369 CG GLU A 16 -33.765 -0.630 1.503 1.00 20.00 C ATOM 370 CD GLU A 16 -34.467 -0.219 0.231 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.424 0.984 -0.114 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.060 -1.095 -0.433 1.00 20.00 O ATOM 0 H GLU A 16 -32.299 0.493 3.473 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.929 -2.215 2.853 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.867 0.251 1.066 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.043 -1.397 0.495 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.155 -1.592 1.835 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.990 0.092 2.288 1.00 20.00 H new ATOM 379 N GLN A 17 -29.279 -0.366 2.587 1.00 20.00 N ATOM 380 CA GLN A 17 -27.837 -0.384 2.372 1.00 20.00 C ATOM 381 C GLN A 17 -27.148 -1.333 3.357 1.00 20.00 C ATOM 382 O GLN A 17 -25.970 -1.651 3.205 1.00 20.00 O ATOM 383 CB GLN A 17 -27.254 1.030 2.496 1.00 20.00 C ATOM 384 CG GLN A 17 -27.804 2.010 1.465 1.00 20.00 C ATOM 385 CD GLN A 17 -27.230 3.407 1.619 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.870 3.824 2.717 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.148 4.147 0.521 1.00 20.00 N ATOM 0 H GLN A 17 -29.630 0.498 3.000 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.652 -0.748 1.361 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.461 1.413 3.495 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.170 0.977 2.393 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -27.583 1.639 0.464 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -28.889 2.056 1.556 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.457 3.767 -0.374 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.776 5.096 0.572 1.00 20.00 H new ATOM 396 N GLU A 18 -27.882 -1.768 4.373 1.00 20.00 N ATOM 397 CA GLU A 18 -27.352 -2.705 5.353 1.00 20.00 C ATOM 398 C GLU A 18 -27.626 -4.141 4.917 1.00 20.00 C ATOM 399 O GLU A 18 -26.722 -4.981 4.904 1.00 20.00 O ATOM 400 CB GLU A 18 -27.973 -2.454 6.731 1.00 20.00 C ATOM 401 CG GLU A 18 -27.803 -1.030 7.238 1.00 20.00 C ATOM 402 CD GLU A 18 -28.543 -0.788 8.536 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.769 -1.018 8.580 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.901 -0.360 9.520 1.00 20.00 O ATOM 0 H GLU A 18 -28.848 -1.486 4.539 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.275 -2.553 5.421 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.037 -2.688 6.687 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.525 -3.140 7.450 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.743 -0.823 7.383 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.163 -0.332 6.482 1.00 20.00 H new ATOM 411 N ASN A 19 -28.873 -4.414 4.538 1.00 20.00 N ATOM 412 CA ASN A 19 -29.279 -5.770 4.177 1.00 20.00 C ATOM 413 C ASN A 19 -28.778 -6.169 2.792 1.00 20.00 C ATOM 414 O ASN A 19 -28.773 -7.352 2.448 1.00 20.00 O ATOM 415 CB ASN A 19 -30.800 -5.960 4.263 1.00 20.00 C ATOM 416 CG ASN A 19 -31.592 -4.821 3.655 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.822 -4.779 2.449 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.049 -3.908 4.499 1.00 20.00 N ATOM 0 H ASN A 19 -29.616 -3.718 4.473 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.813 -6.428 4.910 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.070 -6.888 3.759 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.085 -6.071 5.309 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.615 -3.133 4.154 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.835 -3.980 5.494 1.00 20.00 H new ATOM 425 N SER A 20 -28.356 -5.194 2.001 1.00 20.00 N ATOM 426 CA SER A 20 -27.795 -5.481 0.688 1.00 20.00 C ATOM 427 C SER A 20 -26.493 -6.267 0.829 1.00 20.00 C ATOM 428 O SER A 20 -26.296 -7.291 0.174 1.00 20.00 O ATOM 429 CB SER A 20 -27.561 -4.178 -0.079 1.00 20.00 C ATOM 430 OG SER A 20 -26.870 -3.236 0.722 1.00 20.00 O ATOM 0 H SER A 20 -28.390 -4.204 2.242 1.00 20.00 H new ATOM 0 HA SER A 20 -28.503 -6.090 0.126 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.988 -4.382 -0.983 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.517 -3.761 -0.395 1.00 20.00 H new ATOM 0 HG SER A 20 -25.919 -3.469 0.754 1.00 20.00 H new ATOM 436 N TYR A 21 -25.623 -5.800 1.713 1.00 20.00 N ATOM 437 CA TYR A 21 -24.351 -6.466 1.964 1.00 20.00 C ATOM 438 C TYR A 21 -24.537 -7.648 2.909 1.00 20.00 C ATOM 439 O TYR A 21 -23.725 -8.577 2.937 1.00 20.00 O ATOM 440 CB TYR A 21 -23.336 -5.470 2.531 1.00 20.00 C ATOM 441 CG TYR A 21 -23.009 -4.350 1.568 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.981 -4.485 0.641 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.737 -3.167 1.571 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.690 -3.471 -0.250 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.453 -2.152 0.678 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.429 -2.308 -0.229 1.00 20.00 C ATOM 447 OH TYR A 21 -22.149 -1.300 -1.124 1.00 20.00 O ATOM 0 H TYR A 21 -25.775 -4.960 2.271 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.968 -6.850 1.019 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.729 -5.045 3.455 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.419 -6.000 2.789 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.402 -5.396 0.618 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.538 -3.039 2.283 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.886 -3.589 -0.961 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -24.032 -1.240 0.691 1.00 20.00 H new ATOM 0 HH TYR A 21 -22.763 -0.551 -0.975 1.00 20.00 H new ATOM 457 N ASN A 22 -25.621 -7.614 3.675 1.00 20.00 N ATOM 458 CA ASN A 22 -25.972 -8.714 4.571 1.00 20.00 C ATOM 459 C ASN A 22 -26.420 -9.929 3.764 1.00 20.00 C ATOM 460 O ASN A 22 -26.343 -11.064 4.228 1.00 20.00 O ATOM 461 CB ASN A 22 -27.086 -8.283 5.528 1.00 20.00 C ATOM 462 CG ASN A 22 -27.506 -9.379 6.493 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.420 -10.151 6.209 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.852 -9.446 7.641 1.00 20.00 N ATOM 0 H ASN A 22 -26.277 -6.833 3.695 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.091 -8.982 5.154 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -26.751 -7.416 6.097 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.953 -7.968 4.947 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -27.100 -10.157 8.329 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.099 -8.786 7.838 1.00 20.00 H new ATOM 471 N GLU A 23 -26.869 -9.676 2.541 1.00 20.00 N ATOM 472 CA GLU A 23 -27.327 -10.733 1.653 1.00 20.00 C ATOM 473 C GLU A 23 -26.188 -11.706 1.344 1.00 20.00 C ATOM 474 O GLU A 23 -26.408 -12.909 1.181 1.00 20.00 O ATOM 475 CB GLU A 23 -27.880 -10.129 0.362 1.00 20.00 C ATOM 476 CG GLU A 23 -28.533 -11.140 -0.562 1.00 20.00 C ATOM 477 CD GLU A 23 -29.207 -10.480 -1.743 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.338 -9.979 -1.578 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.606 -10.445 -2.835 1.00 20.00 O ATOM 0 H GLU A 23 -26.925 -8.740 2.141 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.123 -11.287 2.150 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.610 -9.360 0.616 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.069 -9.635 -0.172 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -27.780 -11.842 -0.921 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.268 -11.719 -0.003 1.00 20.00 H new ATOM 486 N TRP A 24 -24.970 -11.180 1.281 1.00 20.00 N ATOM 487 CA TRP A 24 -23.795 -12.012 1.079 1.00 20.00 C ATOM 488 C TRP A 24 -23.524 -12.835 2.337 1.00 20.00 C ATOM 489 O TRP A 24 -23.132 -13.999 2.261 1.00 20.00 O ATOM 490 CB TRP A 24 -22.575 -11.154 0.726 1.00 20.00 C ATOM 491 CG TRP A 24 -21.348 -11.963 0.429 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.018 -12.538 -0.764 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.291 -12.290 1.341 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.824 -13.205 -0.649 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.356 -13.068 0.632 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.045 -12.003 2.688 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.197 -13.561 1.224 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.895 -12.492 3.273 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.982 -13.264 2.542 1.00 20.00 C ATOM 0 H TRP A 24 -24.773 -10.183 1.367 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.983 -12.688 0.245 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.812 -10.535 -0.140 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.364 -10.477 1.554 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.609 -12.477 -1.666 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.359 -13.720 -1.397 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.743 -11.409 3.260 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.492 -14.157 0.663 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.695 -12.276 4.312 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.091 -13.632 3.029 1.00 20.00 H new ATOM 510 N LEU A 25 -23.764 -12.226 3.493 1.00 20.00 N ATOM 511 CA LEU A 25 -23.592 -12.903 4.771 1.00 20.00 C ATOM 512 C LEU A 25 -24.565 -14.076 4.875 1.00 20.00 C ATOM 513 O LEU A 25 -24.229 -15.139 5.404 1.00 20.00 O ATOM 514 CB LEU A 25 -23.821 -11.922 5.925 1.00 20.00 C ATOM 515 CG LEU A 25 -23.648 -12.506 7.327 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.196 -12.891 7.578 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.133 -11.519 8.375 1.00 20.00 C ATOM 0 H LEU A 25 -24.080 -11.259 3.570 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.572 -13.283 4.834 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.131 -11.086 5.811 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.830 -11.517 5.840 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.253 -13.410 7.400 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.097 -13.304 8.582 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.886 -13.637 6.846 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.564 -12.008 7.486 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -24.003 -11.950 9.368 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.556 -10.597 8.301 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.188 -11.301 8.209 1.00 20.00 H new ATOM 529 N ARG A 26 -25.768 -13.868 4.349 1.00 20.00 N ATOM 530 CA ARG A 26 -26.781 -14.914 4.286 1.00 20.00 C ATOM 531 C ARG A 26 -26.297 -16.073 3.416 1.00 20.00 C ATOM 532 O ARG A 26 -26.516 -17.239 3.736 1.00 20.00 O ATOM 533 CB ARG A 26 -28.093 -14.347 3.727 1.00 20.00 C ATOM 534 CG ARG A 26 -29.175 -15.395 3.504 1.00 20.00 C ATOM 535 CD ARG A 26 -30.414 -14.795 2.855 1.00 20.00 C ATOM 536 NE ARG A 26 -31.419 -15.812 2.546 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.980 -15.975 1.346 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.601 -15.221 0.319 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.906 -16.908 1.168 1.00 20.00 N ATOM 0 H ARG A 26 -26.066 -12.975 3.957 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.959 -15.286 5.295 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.471 -13.589 4.413 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.887 -13.846 2.781 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.784 -16.193 2.873 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.446 -15.847 4.458 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.847 -14.049 3.521 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.129 -14.277 1.939 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.710 -16.438 3.297 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.878 -14.513 0.446 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.033 -15.350 -0.596 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.189 -17.501 1.948 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.335 -17.033 0.251 1.00 20.00 H new ATOM 553 N ALA A 27 -25.621 -15.740 2.324 1.00 20.00 N ATOM 554 CA ALA A 27 -25.099 -16.748 1.411 1.00 20.00 C ATOM 555 C ALA A 27 -23.926 -17.492 2.037 1.00 20.00 C ATOM 556 O ALA A 27 -23.739 -18.686 1.810 1.00 20.00 O ATOM 557 CB ALA A 27 -24.677 -16.107 0.099 1.00 20.00 C ATOM 0 H ALA A 27 -25.421 -14.778 2.049 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.892 -17.468 1.210 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.289 -16.873 -0.572 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.537 -15.622 -0.362 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.901 -15.365 0.289 1.00 20.00 H new ATOM 563 N LYS A 28 -23.145 -16.773 2.828 1.00 20.00 N ATOM 564 CA LYS A 28 -21.987 -17.350 3.495 1.00 20.00 C ATOM 565 C LYS A 28 -22.407 -18.417 4.503 1.00 20.00 C ATOM 566 O LYS A 28 -21.835 -19.507 4.538 1.00 20.00 O ATOM 567 CB LYS A 28 -21.170 -16.257 4.193 1.00 20.00 C ATOM 568 CG LYS A 28 -19.975 -16.789 4.967 1.00 20.00 C ATOM 569 CD LYS A 28 -19.197 -15.665 5.628 1.00 20.00 C ATOM 570 CE LYS A 28 -18.053 -16.204 6.475 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.286 -15.117 7.134 1.00 20.00 N ATOM 0 H LYS A 28 -23.293 -15.783 3.025 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.366 -17.824 2.735 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.820 -15.544 3.446 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.820 -15.710 4.876 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.316 -17.493 5.726 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.319 -17.340 4.293 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.802 -14.996 4.864 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.867 -15.075 6.253 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.451 -16.878 7.234 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.383 -16.791 5.847 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.517 -15.529 7.700 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.884 -14.488 6.410 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.919 -14.572 7.754 1.00 20.00 H new ATOM 585 N VAL A 29 -23.411 -18.105 5.318 1.00 20.00 N ATOM 586 CA VAL A 29 -23.886 -19.046 6.323 1.00 20.00 C ATOM 587 C VAL A 29 -24.659 -20.191 5.669 1.00 20.00 C ATOM 588 O VAL A 29 -24.653 -21.321 6.158 1.00 20.00 O ATOM 589 CB VAL A 29 -24.759 -18.354 7.401 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.076 -17.850 6.824 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.008 -19.290 8.572 1.00 20.00 C ATOM 0 H VAL A 29 -23.907 -17.214 5.301 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.007 -19.452 6.823 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.207 -17.486 7.761 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.659 -17.372 7.611 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.874 -17.128 6.032 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.639 -18.689 6.415 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.623 -18.785 9.317 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.525 -20.183 8.220 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.056 -19.574 9.019 1.00 20.00 H new ATOM 601 N ALA A 30 -25.297 -19.897 4.546 1.00 20.00 N ATOM 602 CA ALA A 30 -26.031 -20.904 3.801 1.00 20.00 C ATOM 603 C ALA A 30 -25.104 -21.624 2.835 1.00 20.00 C ATOM 604 O ALA A 30 -25.104 -21.353 1.631 1.00 20.00 O ATOM 605 CB ALA A 30 -27.194 -20.275 3.058 1.00 20.00 C ATOM 0 H ALA A 30 -25.320 -18.965 4.131 1.00 20.00 H new ATOM 0 HA ALA A 30 -26.432 -21.634 4.505 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.732 -21.045 2.506 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -27.869 -19.802 3.772 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.818 -19.525 2.362 1.00 20.00 H new ATOM 611 N THR A 31 -24.302 -22.530 3.372 1.00 20.00 N ATOM 612 CA THR A 31 -23.343 -23.268 2.570 1.00 20.00 C ATOM 613 C THR A 31 -24.050 -24.236 1.624 1.00 20.00 C ATOM 614 O THR A 31 -25.049 -24.868 1.983 1.00 20.00 O ATOM 615 CB THR A 31 -22.338 -24.045 3.449 1.00 20.00 C ATOM 616 OG1 THR A 31 -21.424 -24.774 2.622 1.00 20.00 O ATOM 617 CG2 THR A 31 -23.050 -25.006 4.385 1.00 20.00 C ATOM 0 H THR A 31 -24.298 -22.771 4.363 1.00 20.00 H new ATOM 0 HA THR A 31 -22.790 -22.534 1.984 1.00 20.00 H new ATOM 0 HB THR A 31 -21.791 -23.319 4.051 1.00 20.00 H new ATOM 0 HG1 THR A 31 -20.789 -25.262 3.187 1.00 20.00 H new ATOM 0 HG21 THR A 31 -22.315 -25.537 4.989 1.00 20.00 H new ATOM 0 HG22 THR A 31 -23.721 -24.448 5.038 1.00 20.00 H new ATOM 0 HG23 THR A 31 -23.626 -25.724 3.801 1.00 20.00 H new ATOM 625 N SER A 32 -23.531 -24.344 0.412 1.00 20.00 N ATOM 626 CA SER A 32 -24.090 -25.251 -0.576 1.00 20.00 C ATOM 627 C SER A 32 -23.457 -26.633 -0.448 1.00 20.00 C ATOM 628 O SER A 32 -23.723 -27.530 -1.248 1.00 20.00 O ATOM 629 CB SER A 32 -23.880 -24.685 -1.980 1.00 20.00 C ATOM 630 OG SER A 32 -24.384 -23.361 -2.065 1.00 20.00 O ATOM 0 H SER A 32 -22.722 -23.814 0.089 1.00 20.00 H new ATOM 0 HA SER A 32 -25.161 -25.352 -0.399 1.00 20.00 H new ATOM 0 HB2 SER A 32 -22.818 -24.692 -2.226 1.00 20.00 H new ATOM 0 HB3 SER A 32 -24.381 -25.318 -2.712 1.00 20.00 H new ATOM 0 HG SER A 32 -24.240 -23.014 -2.970 1.00 20.00 H new ATOM 636 N LEU A 33 -22.620 -26.796 0.572 1.00 20.00 N ATOM 637 CA LEU A 33 -21.969 -28.074 0.838 1.00 20.00 C ATOM 638 C LEU A 33 -22.726 -28.841 1.916 1.00 20.00 C ATOM 639 O LEU A 33 -22.258 -29.866 2.415 1.00 20.00 O ATOM 640 CB LEU A 33 -20.506 -27.877 1.272 1.00 20.00 C ATOM 641 CG LEU A 33 -19.529 -27.367 0.196 1.00 20.00 C ATOM 642 CD1 LEU A 33 -19.607 -28.215 -1.066 1.00 20.00 C ATOM 643 CD2 LEU A 33 -19.778 -25.898 -0.126 1.00 20.00 C ATOM 0 H LEU A 33 -22.376 -26.056 1.230 1.00 20.00 H new ATOM 0 HA LEU A 33 -21.978 -28.649 -0.088 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -20.490 -27.176 2.106 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -20.131 -28.829 1.648 1.00 20.00 H new ATOM 0 HG LEU A 33 -18.521 -27.457 0.602 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -18.906 -27.830 -1.807 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -19.352 -29.247 -0.827 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -20.619 -28.175 -1.469 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -19.073 -25.568 -0.889 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -20.796 -25.774 -0.495 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -19.644 -25.300 0.775 1.00 20.00 H new ATOM 655 N ALA A 34 -23.894 -28.327 2.278 1.00 20.00 N ATOM 656 CA ALA A 34 -24.752 -28.980 3.256 1.00 20.00 C ATOM 657 C ALA A 34 -25.326 -30.269 2.674 1.00 20.00 C ATOM 658 O ALA A 34 -25.735 -30.303 1.510 1.00 20.00 O ATOM 659 CB ALA A 34 -25.872 -28.043 3.683 1.00 20.00 C ATOM 0 H ALA A 34 -24.270 -27.455 1.906 1.00 20.00 H new ATOM 0 HA ALA A 34 -24.157 -29.230 4.135 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -26.506 -28.544 4.414 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -25.445 -27.144 4.128 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -26.469 -27.769 2.813 1.00 20.00 H new ATOM 665 N ASP A 35 -25.348 -31.321 3.481 1.00 20.00 N ATOM 666 CA ASP A 35 -25.811 -32.628 3.027 1.00 20.00 C ATOM 667 C ASP A 35 -27.325 -32.641 2.877 1.00 20.00 C ATOM 668 O ASP A 35 -28.045 -32.291 3.813 1.00 20.00 O ATOM 669 CB ASP A 35 -25.393 -33.730 4.006 1.00 20.00 C ATOM 670 CG ASP A 35 -23.894 -33.816 4.193 1.00 20.00 C ATOM 671 OD1 ASP A 35 -23.220 -34.487 3.382 1.00 20.00 O ATOM 672 OD2 ASP A 35 -23.377 -33.220 5.161 1.00 20.00 O ATOM 0 H ASP A 35 -25.050 -31.296 4.456 1.00 20.00 H new ATOM 0 HA ASP A 35 -25.350 -32.819 2.058 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -25.864 -33.549 4.972 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -25.764 -34.689 3.645 1.00 20.00 H new ATOM 677 N PRO A 36 -27.835 -33.046 1.702 1.00 20.00 N ATOM 678 CA PRO A 36 -29.271 -33.186 1.467 1.00 20.00 C ATOM 679 C PRO A 36 -29.814 -34.470 2.086 1.00 20.00 C ATOM 680 O PRO A 36 -30.426 -35.299 1.408 1.00 20.00 O ATOM 681 CB PRO A 36 -29.399 -33.237 -0.065 1.00 20.00 C ATOM 682 CG PRO A 36 -28.017 -33.049 -0.607 1.00 20.00 C ATOM 683 CD PRO A 36 -27.066 -33.392 0.503 1.00 20.00 C ATOM 0 HA PRO A 36 -29.839 -32.371 1.916 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -29.818 -34.190 -0.389 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -30.068 -32.456 -0.426 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -27.850 -33.691 -1.472 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -27.869 -32.022 -0.940 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -26.790 -34.446 0.489 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -26.141 -32.819 0.436 1.00 20.00 H new ATOM 691 N ARG A 37 -29.576 -34.629 3.375 1.00 20.00 N ATOM 692 CA ARG A 37 -29.988 -35.821 4.092 1.00 20.00 C ATOM 693 C ARG A 37 -30.742 -35.440 5.361 1.00 20.00 C ATOM 694 O ARG A 37 -30.133 -35.106 6.377 1.00 20.00 O ATOM 695 CB ARG A 37 -28.768 -36.676 4.441 1.00 20.00 C ATOM 696 CG ARG A 37 -29.117 -37.978 5.140 1.00 20.00 C ATOM 697 CD ARG A 37 -27.876 -38.793 5.447 1.00 20.00 C ATOM 698 NE ARG A 37 -28.207 -40.035 6.140 1.00 20.00 N ATOM 699 CZ ARG A 37 -27.345 -41.024 6.355 1.00 20.00 C ATOM 700 NH1 ARG A 37 -26.091 -40.918 5.935 1.00 20.00 N ATOM 701 NH2 ARG A 37 -27.742 -42.118 6.993 1.00 20.00 N ATOM 0 H ARG A 37 -29.094 -33.939 3.952 1.00 20.00 H new ATOM 0 HA ARG A 37 -30.652 -36.401 3.451 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -28.219 -36.900 3.527 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -28.101 -36.098 5.080 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -29.651 -37.764 6.066 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -29.790 -38.561 4.511 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -27.351 -39.022 4.519 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -27.195 -38.203 6.061 1.00 20.00 H new ATOM 0 HE ARG A 37 -29.161 -40.151 6.481 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -25.786 -40.076 5.446 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -25.432 -41.678 6.101 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -28.706 -42.198 7.317 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -27.083 -42.879 7.160 1.00 20.00 H new ATOM 715 N PRO A 38 -32.079 -35.479 5.315 1.00 20.00 N ATOM 716 CA PRO A 38 -32.917 -35.097 6.454 1.00 20.00 C ATOM 717 C PRO A 38 -32.781 -36.061 7.629 1.00 20.00 C ATOM 718 O PRO A 38 -33.219 -37.212 7.563 1.00 20.00 O ATOM 719 CB PRO A 38 -34.338 -35.134 5.888 1.00 20.00 C ATOM 720 CG PRO A 38 -34.264 -36.058 4.724 1.00 20.00 C ATOM 721 CD PRO A 38 -32.882 -35.897 4.152 1.00 20.00 C ATOM 0 HA PRO A 38 -32.633 -34.124 6.855 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -35.050 -35.492 6.632 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -34.668 -34.141 5.583 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -34.441 -37.088 5.032 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -35.024 -35.812 3.982 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -32.513 -36.829 3.723 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -32.860 -35.150 3.359 1.00 20.00 H new ATOM 729 N ALA A 39 -32.160 -35.583 8.696 1.00 20.00 N ATOM 730 CA ALA A 39 -31.980 -36.368 9.905 1.00 20.00 C ATOM 731 C ALA A 39 -31.833 -35.443 11.101 1.00 20.00 C ATOM 732 O ALA A 39 -31.264 -34.358 10.977 1.00 20.00 O ATOM 733 CB ALA A 39 -30.763 -37.273 9.775 1.00 20.00 C ATOM 0 H ALA A 39 -31.768 -34.643 8.747 1.00 20.00 H new ATOM 0 HA ALA A 39 -32.857 -36.998 10.053 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -30.642 -37.854 10.689 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -30.901 -37.949 8.931 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -29.873 -36.665 9.612 1.00 20.00 H new ATOM 739 N ILE A 40 -32.353 -35.857 12.249 1.00 20.00 N ATOM 740 CA ILE A 40 -32.283 -35.039 13.452 1.00 20.00 C ATOM 741 C ILE A 40 -31.213 -35.558 14.406 1.00 20.00 C ATOM 742 O ILE A 40 -31.416 -36.554 15.101 1.00 20.00 O ATOM 743 CB ILE A 40 -33.633 -34.989 14.194 1.00 20.00 C ATOM 744 CG1 ILE A 40 -34.749 -34.527 13.250 1.00 20.00 C ATOM 745 CG2 ILE A 40 -33.528 -34.059 15.399 1.00 20.00 C ATOM 746 CD1 ILE A 40 -36.115 -34.486 13.897 1.00 20.00 C ATOM 0 H ILE A 40 -32.827 -36.752 12.372 1.00 20.00 H new ATOM 0 HA ILE A 40 -32.026 -34.031 13.126 1.00 20.00 H new ATOM 0 HB ILE A 40 -33.880 -35.991 14.545 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -34.506 -33.534 12.873 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -34.784 -35.195 12.389 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -34.485 -34.028 15.919 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -32.758 -34.428 16.077 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -33.265 -33.056 15.063 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -36.853 -34.150 13.168 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -36.381 -35.483 14.249 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -36.098 -33.796 14.740 1.00 20.00 H new ATOM 758 N PRO A 41 -30.045 -34.907 14.423 1.00 20.00 N ATOM 759 CA PRO A 41 -28.966 -35.229 15.345 1.00 20.00 C ATOM 760 C PRO A 41 -29.038 -34.395 16.625 1.00 20.00 C ATOM 761 O PRO A 41 -29.641 -33.318 16.648 1.00 20.00 O ATOM 762 CB PRO A 41 -27.731 -34.852 14.531 1.00 20.00 C ATOM 763 CG PRO A 41 -28.166 -33.707 13.672 1.00 20.00 C ATOM 764 CD PRO A 41 -29.669 -33.804 13.525 1.00 20.00 C ATOM 0 HA PRO A 41 -28.987 -36.265 15.682 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -26.903 -34.566 15.180 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -27.387 -35.691 13.926 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -27.884 -32.757 14.126 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -27.680 -33.751 12.697 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -30.159 -32.873 13.810 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -29.956 -34.013 12.495 1.00 20.00 H new ATOM 772 N HIS A 42 -28.411 -34.887 17.688 1.00 20.00 N ATOM 773 CA HIS A 42 -28.352 -34.153 18.945 1.00 20.00 C ATOM 774 C HIS A 42 -27.388 -32.984 18.814 1.00 20.00 C ATOM 775 O HIS A 42 -27.459 -32.018 19.571 1.00 20.00 O ATOM 776 CB HIS A 42 -27.922 -35.064 20.100 1.00 20.00 C ATOM 777 CG HIS A 42 -28.949 -36.085 20.478 1.00 20.00 C ATOM 778 ND1 HIS A 42 -28.735 -37.443 20.379 1.00 20.00 N ATOM 779 CD2 HIS A 42 -30.203 -35.942 20.969 1.00 20.00 C ATOM 780 CE1 HIS A 42 -29.810 -38.087 20.790 1.00 20.00 C ATOM 781 NE2 HIS A 42 -30.717 -37.201 21.156 1.00 20.00 N ATOM 0 H HIS A 42 -27.937 -35.790 17.704 1.00 20.00 H new ATOM 0 HA HIS A 42 -29.350 -33.776 19.168 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -27.000 -35.575 19.824 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -27.697 -34.449 20.971 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -30.706 -35.009 21.175 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -29.928 -39.160 20.822 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -31.646 -37.416 21.518 1.00 20.00 H new ATOM 790 N ASP A 43 -26.491 -33.084 17.836 1.00 20.00 N ATOM 791 CA ASP A 43 -25.564 -32.002 17.521 1.00 20.00 C ATOM 792 C ASP A 43 -26.324 -30.763 17.073 1.00 20.00 C ATOM 793 O ASP A 43 -25.955 -29.640 17.409 1.00 20.00 O ATOM 794 CB ASP A 43 -24.582 -32.431 16.425 1.00 20.00 C ATOM 795 CG ASP A 43 -23.758 -31.272 15.897 1.00 20.00 C ATOM 796 OD1 ASP A 43 -22.785 -30.871 16.569 1.00 20.00 O ATOM 797 OD2 ASP A 43 -24.064 -30.772 14.793 1.00 20.00 O ATOM 0 H ASP A 43 -26.387 -33.909 17.245 1.00 20.00 H new ATOM 0 HA ASP A 43 -25.001 -31.767 18.424 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -23.915 -33.197 16.819 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -25.136 -32.883 15.602 1.00 20.00 H new ATOM 802 N GLU A 44 -27.403 -30.982 16.332 1.00 20.00 N ATOM 803 CA GLU A 44 -28.208 -29.889 15.814 1.00 20.00 C ATOM 804 C GLU A 44 -28.857 -29.117 16.951 1.00 20.00 C ATOM 805 O GLU A 44 -28.828 -27.892 16.979 1.00 20.00 O ATOM 806 CB GLU A 44 -29.278 -30.416 14.860 1.00 20.00 C ATOM 807 CG GLU A 44 -30.145 -29.324 14.262 1.00 20.00 C ATOM 808 CD GLU A 44 -31.120 -29.856 13.239 1.00 20.00 C ATOM 809 OE1 GLU A 44 -30.691 -30.146 12.103 1.00 20.00 O ATOM 810 OE2 GLU A 44 -32.319 -29.987 13.564 1.00 20.00 O ATOM 0 H GLU A 44 -27.740 -31.911 16.077 1.00 20.00 H new ATOM 0 HA GLU A 44 -27.551 -29.214 15.265 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -28.795 -30.968 14.054 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -29.914 -31.122 15.394 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -30.696 -28.824 15.059 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -29.508 -28.573 13.796 1.00 20.00 H new ATOM 817 N VAL A 45 -29.424 -29.844 17.899 1.00 20.00 N ATOM 818 CA VAL A 45 -30.066 -29.224 19.043 1.00 20.00 C ATOM 819 C VAL A 45 -29.030 -28.505 19.899 1.00 20.00 C ATOM 820 O VAL A 45 -29.245 -27.374 20.339 1.00 20.00 O ATOM 821 CB VAL A 45 -30.817 -30.265 19.897 1.00 20.00 C ATOM 822 CG1 VAL A 45 -31.547 -29.596 21.052 1.00 20.00 C ATOM 823 CG2 VAL A 45 -31.788 -31.061 19.039 1.00 20.00 C ATOM 0 H VAL A 45 -29.452 -30.864 17.898 1.00 20.00 H new ATOM 0 HA VAL A 45 -30.792 -28.503 18.669 1.00 20.00 H new ATOM 0 HB VAL A 45 -30.082 -30.953 20.315 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -32.069 -30.352 21.639 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -30.828 -29.077 21.686 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -32.268 -28.879 20.660 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -32.308 -31.790 19.660 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -32.514 -30.384 18.588 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -31.239 -31.579 18.253 1.00 20.00 H new ATOM 833 N GLU A 46 -27.894 -29.162 20.098 1.00 20.00 N ATOM 834 CA GLU A 46 -26.808 -28.602 20.894 1.00 20.00 C ATOM 835 C GLU A 46 -26.288 -27.306 20.275 1.00 20.00 C ATOM 836 O GLU A 46 -26.152 -26.291 20.964 1.00 20.00 O ATOM 837 CB GLU A 46 -25.669 -29.619 21.029 1.00 20.00 C ATOM 838 CG GLU A 46 -24.610 -29.231 22.048 1.00 20.00 C ATOM 839 CD GLU A 46 -25.174 -29.076 23.445 1.00 20.00 C ATOM 840 OE1 GLU A 46 -25.572 -30.096 24.050 1.00 20.00 O ATOM 841 OE2 GLU A 46 -25.212 -27.935 23.952 1.00 20.00 O ATOM 0 H GLU A 46 -27.700 -30.088 19.717 1.00 20.00 H new ATOM 0 HA GLU A 46 -27.197 -28.373 21.886 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -26.090 -30.585 21.308 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -25.193 -29.747 20.057 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -23.827 -29.989 22.059 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -24.143 -28.294 21.743 1.00 20.00 H new ATOM 848 N ARG A 47 -26.015 -27.330 18.972 1.00 20.00 N ATOM 849 CA ARG A 47 -25.504 -26.146 18.289 1.00 20.00 C ATOM 850 C ARG A 47 -26.552 -25.039 18.278 1.00 20.00 C ATOM 851 O ARG A 47 -26.218 -23.866 18.418 1.00 20.00 O ATOM 852 CB ARG A 47 -25.057 -26.465 16.856 1.00 20.00 C ATOM 853 CG ARG A 47 -26.186 -26.892 15.933 1.00 20.00 C ATOM 854 CD ARG A 47 -25.711 -27.061 14.499 1.00 20.00 C ATOM 855 NE ARG A 47 -25.295 -25.793 13.907 1.00 20.00 N ATOM 856 CZ ARG A 47 -24.639 -25.688 12.754 1.00 20.00 C ATOM 857 NH1 ARG A 47 -24.330 -26.777 12.057 1.00 20.00 N ATOM 858 NH2 ARG A 47 -24.296 -24.491 12.294 1.00 20.00 N ATOM 0 H ARG A 47 -26.138 -28.147 18.374 1.00 20.00 H new ATOM 0 HA ARG A 47 -24.630 -25.803 18.843 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -24.571 -25.585 16.434 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -24.309 -27.258 16.888 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -26.610 -27.831 16.288 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -26.983 -26.149 15.966 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -24.878 -27.763 14.474 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.512 -27.495 13.901 1.00 20.00 H new ATOM 0 HE ARG A 47 -25.521 -24.934 14.408 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -24.596 -27.698 12.405 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -23.827 -26.692 11.174 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -24.535 -23.653 12.824 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -23.793 -24.409 11.410 1.00 20.00 H new ATOM 872 N ARG A 48 -27.823 -25.413 18.138 1.00 20.00 N ATOM 873 CA ARG A 48 -28.902 -24.435 18.130 1.00 20.00 C ATOM 874 C ARG A 48 -28.963 -23.692 19.452 1.00 20.00 C ATOM 875 O ARG A 48 -29.169 -22.485 19.476 1.00 20.00 O ATOM 876 CB ARG A 48 -30.255 -25.090 17.836 1.00 20.00 C ATOM 877 CG ARG A 48 -30.483 -25.421 16.366 1.00 20.00 C ATOM 878 CD ARG A 48 -30.326 -24.192 15.481 1.00 20.00 C ATOM 879 NE ARG A 48 -31.149 -23.072 15.942 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.944 -21.803 15.586 1.00 20.00 C ATOM 881 NH1 ARG A 48 -29.953 -21.497 14.759 1.00 20.00 N ATOM 882 NH2 ARG A 48 -31.735 -20.843 16.051 1.00 20.00 N ATOM 0 H ARG A 48 -28.126 -26.381 18.029 1.00 20.00 H new ATOM 0 HA ARG A 48 -28.689 -23.724 17.332 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -30.337 -26.007 18.420 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -31.049 -24.425 18.174 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -29.776 -26.188 16.052 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -31.482 -25.837 16.237 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -29.279 -23.889 15.464 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -30.601 -24.446 14.457 1.00 20.00 H new ATOM 0 HE ARG A 48 -31.925 -23.274 16.573 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -29.347 -22.232 14.395 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.797 -20.526 14.487 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -32.502 -21.075 16.682 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -31.576 -19.874 15.777 1.00 20.00 H new ATOM 896 N MET A 49 -28.761 -24.413 20.549 1.00 20.00 N ATOM 897 CA MET A 49 -28.756 -23.806 21.875 1.00 20.00 C ATOM 898 C MET A 49 -27.703 -22.711 21.968 1.00 20.00 C ATOM 899 O MET A 49 -27.919 -21.681 22.606 1.00 20.00 O ATOM 900 CB MET A 49 -28.496 -24.863 22.945 1.00 20.00 C ATOM 901 CG MET A 49 -29.590 -25.906 23.042 1.00 20.00 C ATOM 902 SD MET A 49 -31.182 -25.201 23.504 1.00 20.00 S ATOM 903 CE MET A 49 -32.195 -26.678 23.521 1.00 20.00 C ATOM 0 H MET A 49 -28.598 -25.420 20.546 1.00 20.00 H new ATOM 0 HA MET A 49 -29.737 -23.361 22.043 1.00 20.00 H new ATOM 0 HB2 MET A 49 -27.549 -25.360 22.732 1.00 20.00 H new ATOM 0 HB3 MET A 49 -28.387 -24.371 23.912 1.00 20.00 H new ATOM 0 HG2 MET A 49 -29.687 -26.415 22.083 1.00 20.00 H new ATOM 0 HG3 MET A 49 -29.304 -26.660 23.776 1.00 20.00 H new ATOM 0 HE1 MET A 49 -33.218 -26.415 23.791 1.00 20.00 H new ATOM 0 HE2 MET A 49 -32.187 -27.136 22.532 1.00 20.00 H new ATOM 0 HE3 MET A 49 -31.798 -27.383 24.251 1.00 20.00 H new ATOM 913 N ALA A 50 -26.573 -22.934 21.316 1.00 20.00 N ATOM 914 CA ALA A 50 -25.486 -21.971 21.331 1.00 20.00 C ATOM 915 C ALA A 50 -25.728 -20.855 20.325 1.00 20.00 C ATOM 916 O ALA A 50 -25.692 -19.679 20.673 1.00 20.00 O ATOM 917 CB ALA A 50 -24.165 -22.665 21.041 1.00 20.00 C ATOM 0 H ALA A 50 -26.386 -23.775 20.770 1.00 20.00 H new ATOM 0 HA ALA A 50 -25.442 -21.526 22.325 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -23.358 -21.932 21.055 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -23.979 -23.425 21.800 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -24.210 -23.137 20.059 1.00 20.00 H new ATOM 923 N GLU A 51 -26.004 -21.233 19.086 1.00 20.00 N ATOM 924 CA GLU A 51 -26.149 -20.273 17.997 1.00 20.00 C ATOM 925 C GLU A 51 -27.351 -19.354 18.210 1.00 20.00 C ATOM 926 O GLU A 51 -27.323 -18.184 17.832 1.00 20.00 O ATOM 927 CB GLU A 51 -26.268 -21.004 16.659 1.00 20.00 C ATOM 928 CG GLU A 51 -25.031 -21.813 16.300 1.00 20.00 C ATOM 929 CD GLU A 51 -25.184 -22.584 15.007 1.00 20.00 C ATOM 930 OE1 GLU A 51 -26.050 -23.475 14.944 1.00 20.00 O ATOM 931 OE2 GLU A 51 -24.418 -22.325 14.055 1.00 20.00 O ATOM 0 H GLU A 51 -26.133 -22.205 18.806 1.00 20.00 H new ATOM 0 HA GLU A 51 -25.256 -19.649 17.984 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -27.131 -21.669 16.692 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -26.458 -20.275 15.871 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -24.176 -21.142 16.218 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -24.812 -22.510 17.109 1.00 20.00 H new ATOM 938 N ARG A 52 -28.402 -19.883 18.821 1.00 20.00 N ATOM 939 CA ARG A 52 -29.597 -19.100 19.122 1.00 20.00 C ATOM 940 C ARG A 52 -29.251 -17.944 20.060 1.00 20.00 C ATOM 941 O ARG A 52 -29.836 -16.862 19.981 1.00 20.00 O ATOM 942 CB ARG A 52 -30.650 -20.012 19.756 1.00 20.00 C ATOM 943 CG ARG A 52 -32.013 -19.379 19.981 1.00 20.00 C ATOM 944 CD ARG A 52 -32.973 -20.412 20.549 1.00 20.00 C ATOM 945 NE ARG A 52 -34.324 -19.897 20.752 1.00 20.00 N ATOM 946 CZ ARG A 52 -35.329 -20.644 21.208 1.00 20.00 C ATOM 947 NH1 ARG A 52 -35.118 -21.919 21.512 1.00 20.00 N ATOM 948 NH2 ARG A 52 -36.539 -20.123 21.364 1.00 20.00 N ATOM 0 H ARG A 52 -28.453 -20.857 19.120 1.00 20.00 H new ATOM 0 HA ARG A 52 -29.997 -18.678 18.200 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -30.776 -20.889 19.121 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -30.270 -20.365 20.715 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -31.924 -18.536 20.666 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -32.401 -18.986 19.041 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -33.016 -21.267 19.875 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -32.584 -20.775 21.500 1.00 20.00 H new ATOM 0 HE ARG A 52 -34.508 -18.918 20.534 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -34.189 -22.324 21.396 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -35.885 -22.494 21.861 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -36.706 -19.143 21.134 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -37.302 -20.702 21.714 1.00 20.00 H new ATOM 962 N PHE A 53 -28.277 -18.177 20.928 1.00 20.00 N ATOM 963 CA PHE A 53 -27.836 -17.168 21.875 1.00 20.00 C ATOM 964 C PHE A 53 -26.712 -16.327 21.269 1.00 20.00 C ATOM 965 O PHE A 53 -26.691 -15.103 21.409 1.00 20.00 O ATOM 966 CB PHE A 53 -27.364 -17.842 23.167 1.00 20.00 C ATOM 967 CG PHE A 53 -27.159 -16.891 24.313 1.00 20.00 C ATOM 968 CD1 PHE A 53 -25.936 -16.267 24.506 1.00 20.00 C ATOM 969 CD2 PHE A 53 -28.191 -16.624 25.196 1.00 20.00 C ATOM 970 CE1 PHE A 53 -25.749 -15.395 25.561 1.00 20.00 C ATOM 971 CE2 PHE A 53 -28.009 -15.752 26.253 1.00 20.00 C ATOM 972 CZ PHE A 53 -26.786 -15.137 26.434 1.00 20.00 C ATOM 0 H PHE A 53 -27.775 -19.063 20.994 1.00 20.00 H new ATOM 0 HA PHE A 53 -28.672 -16.507 22.106 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -28.095 -18.595 23.460 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -26.428 -18.365 22.971 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -25.122 -16.465 23.825 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -29.149 -17.102 25.058 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -24.792 -14.915 25.702 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -28.822 -15.552 26.936 1.00 20.00 H new ATOM 0 HZ PHE A 53 -26.641 -14.454 27.258 1.00 20.00 H new ATOM 982 N ALA A 54 -25.794 -16.998 20.580 1.00 20.00 N ATOM 983 CA ALA A 54 -24.628 -16.350 19.990 1.00 20.00 C ATOM 984 C ALA A 54 -25.025 -15.302 18.958 1.00 20.00 C ATOM 985 O ALA A 54 -24.554 -14.166 19.006 1.00 20.00 O ATOM 986 CB ALA A 54 -23.711 -17.388 19.361 1.00 20.00 C ATOM 0 H ALA A 54 -25.837 -18.004 20.415 1.00 20.00 H new ATOM 0 HA ALA A 54 -24.095 -15.838 20.791 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -22.845 -16.891 18.924 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -23.379 -18.091 20.125 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -24.251 -17.927 18.582 1.00 20.00 H new ATOM 992 N LYS A 55 -25.907 -15.681 18.035 1.00 20.00 N ATOM 993 CA LYS A 55 -26.364 -14.766 16.993 1.00 20.00 C ATOM 994 C LYS A 55 -27.069 -13.556 17.596 1.00 20.00 C ATOM 995 O LYS A 55 -27.113 -12.488 16.987 1.00 20.00 O ATOM 996 CB LYS A 55 -27.299 -15.470 15.999 1.00 20.00 C ATOM 997 CG LYS A 55 -26.593 -16.197 14.851 1.00 20.00 C ATOM 998 CD LYS A 55 -25.820 -17.421 15.315 1.00 20.00 C ATOM 999 CE LYS A 55 -25.293 -18.225 14.136 1.00 20.00 C ATOM 1000 NZ LYS A 55 -24.287 -17.470 13.344 1.00 20.00 N ATOM 0 H LYS A 55 -26.318 -16.613 17.988 1.00 20.00 H new ATOM 0 HA LYS A 55 -25.480 -14.426 16.454 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -27.909 -16.190 16.544 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -27.979 -14.730 15.577 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -27.332 -16.500 14.109 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -25.909 -15.507 14.356 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -24.988 -17.110 15.946 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -26.466 -18.051 15.927 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -24.846 -19.150 14.500 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -26.125 -18.506 13.490 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -23.919 -18.075 12.582 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -24.733 -16.626 12.931 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -23.504 -17.180 13.964 1.00 20.00 H new ATOM 1014 N MET A 56 -27.609 -13.724 18.795 1.00 20.00 N ATOM 1015 CA MET A 56 -28.272 -12.632 19.491 1.00 20.00 C ATOM 1016 C MET A 56 -27.246 -11.734 20.178 1.00 20.00 C ATOM 1017 O MET A 56 -27.294 -10.509 20.054 1.00 20.00 O ATOM 1018 CB MET A 56 -29.263 -13.172 20.530 1.00 20.00 C ATOM 1019 CG MET A 56 -29.965 -12.083 21.330 1.00 20.00 C ATOM 1020 SD MET A 56 -30.884 -12.735 22.737 1.00 20.00 S ATOM 1021 CE MET A 56 -29.548 -13.369 23.751 1.00 20.00 C ATOM 0 H MET A 56 -27.601 -14.607 19.306 1.00 20.00 H new ATOM 0 HA MET A 56 -28.820 -12.047 18.753 1.00 20.00 H new ATOM 0 HB2 MET A 56 -30.013 -13.779 20.023 1.00 20.00 H new ATOM 0 HB3 MET A 56 -28.732 -13.831 21.217 1.00 20.00 H new ATOM 0 HG2 MET A 56 -29.226 -11.365 21.685 1.00 20.00 H new ATOM 0 HG3 MET A 56 -30.647 -11.540 20.676 1.00 20.00 H new ATOM 0 HE1 MET A 56 -29.875 -13.426 24.789 1.00 20.00 H new ATOM 0 HE2 MET A 56 -29.268 -14.364 23.404 1.00 20.00 H new ATOM 0 HE3 MET A 56 -28.688 -12.704 23.677 1.00 20.00 H new ATOM 1031 N ARG A 57 -26.306 -12.354 20.885 1.00 20.00 N ATOM 1032 CA ARG A 57 -25.304 -11.614 21.643 1.00 20.00 C ATOM 1033 C ARG A 57 -24.359 -10.868 20.706 1.00 20.00 C ATOM 1034 O ARG A 57 -24.003 -9.722 20.972 1.00 20.00 O ATOM 1035 CB ARG A 57 -24.514 -12.565 22.551 1.00 20.00 C ATOM 1036 CG ARG A 57 -23.491 -11.863 23.437 1.00 20.00 C ATOM 1037 CD ARG A 57 -24.148 -10.845 24.363 1.00 20.00 C ATOM 1038 NE ARG A 57 -25.050 -11.472 25.330 1.00 20.00 N ATOM 1039 CZ ARG A 57 -26.297 -11.059 25.574 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -26.829 -10.052 24.882 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -27.020 -11.661 26.513 1.00 20.00 N ATOM 0 H ARG A 57 -26.218 -13.368 20.948 1.00 20.00 H new ATOM 0 HA ARG A 57 -25.817 -10.881 22.265 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -25.213 -13.113 23.183 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -24.000 -13.300 21.932 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -22.956 -12.604 24.032 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -22.752 -11.362 22.812 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -23.375 -10.291 24.897 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -24.704 -10.122 23.767 1.00 20.00 H new ATOM 0 HE ARG A 57 -24.704 -12.277 25.852 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -26.283 -9.587 24.157 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -27.782 -9.746 25.078 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.622 -12.435 27.045 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -27.972 -11.348 26.702 1.00 20.00 H new ATOM 1055 N LYS A 58 -23.977 -11.513 19.608 1.00 20.00 N ATOM 1056 CA LYS A 58 -23.074 -10.907 18.629 1.00 20.00 C ATOM 1057 C LYS A 58 -21.759 -10.505 19.288 1.00 20.00 C ATOM 1058 O LYS A 58 -21.462 -9.319 19.454 1.00 20.00 O ATOM 1059 CB LYS A 58 -23.726 -9.697 17.955 1.00 20.00 C ATOM 1060 CG LYS A 58 -24.946 -10.048 17.117 1.00 20.00 C ATOM 1061 CD LYS A 58 -25.544 -8.821 16.444 1.00 20.00 C ATOM 1062 CE LYS A 58 -26.138 -7.849 17.455 1.00 20.00 C ATOM 1063 NZ LYS A 58 -27.290 -8.437 18.189 1.00 20.00 N ATOM 0 H LYS A 58 -24.279 -12.458 19.371 1.00 20.00 H new ATOM 0 HA LYS A 58 -22.864 -11.651 17.861 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -24.017 -8.978 18.721 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -22.989 -9.205 17.320 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -24.667 -10.779 16.358 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -25.699 -10.518 17.750 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -24.773 -8.314 15.863 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -26.318 -9.133 15.743 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -25.368 -7.553 18.168 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -26.461 -6.944 16.940 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -27.777 -7.691 18.725 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -27.952 -8.864 17.511 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -26.947 -9.168 18.845 1.00 20.00 H new ATOM 1077 N GLU A 59 -20.979 -11.509 19.665 1.00 20.00 N ATOM 1078 CA GLU A 59 -19.704 -11.285 20.327 1.00 20.00 C ATOM 1079 C GLU A 59 -18.692 -10.720 19.342 1.00 20.00 C ATOM 1080 O GLU A 59 -17.755 -10.018 19.725 1.00 20.00 O ATOM 1081 CB GLU A 59 -19.179 -12.592 20.919 1.00 20.00 C ATOM 1082 CG GLU A 59 -18.103 -12.389 21.965 1.00 20.00 C ATOM 1083 CD GLU A 59 -18.618 -11.630 23.166 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -19.270 -12.255 24.029 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -18.369 -10.410 23.256 1.00 20.00 O ATOM 0 H GLU A 59 -21.210 -12.492 19.522 1.00 20.00 H new ATOM 0 HA GLU A 59 -19.853 -10.566 21.133 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -20.009 -13.140 21.364 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -18.782 -13.212 20.116 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -17.721 -13.358 22.285 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -17.267 -11.846 21.524 1.00 20.00 H new ATOM 1092 N ARG A 60 -18.891 -11.038 18.072 1.00 20.00 N ATOM 1093 CA ARG A 60 -18.028 -10.542 17.011 1.00 20.00 C ATOM 1094 C ARG A 60 -18.108 -9.023 16.933 1.00 20.00 C ATOM 1095 O ARG A 60 -17.130 -8.320 17.187 1.00 20.00 O ATOM 1096 CB ARG A 60 -18.439 -11.153 15.672 1.00 20.00 C ATOM 1097 CG ARG A 60 -17.486 -10.829 14.534 1.00 20.00 C ATOM 1098 CD ARG A 60 -18.045 -11.290 13.198 1.00 20.00 C ATOM 1099 NE ARG A 60 -18.371 -12.716 13.201 1.00 20.00 N ATOM 1100 CZ ARG A 60 -19.514 -13.221 12.732 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -20.460 -12.408 12.271 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -19.715 -14.534 12.737 1.00 20.00 N ATOM 0 H ARG A 60 -19.648 -11.641 17.750 1.00 20.00 H new ATOM 0 HA ARG A 60 -17.001 -10.830 17.234 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -18.505 -12.235 15.782 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -19.436 -10.798 15.411 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -17.304 -9.755 14.504 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -16.524 -11.310 14.714 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -18.940 -10.714 12.962 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -17.318 -11.086 12.412 1.00 20.00 H new ATOM 0 HE ARG A 60 -17.683 -13.364 13.585 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -20.312 -11.399 12.276 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -21.334 -12.794 11.912 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -18.995 -15.159 13.100 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -20.589 -14.917 12.378 1.00 20.00 H new ATOM 1116 N SER A 61 -19.284 -8.524 16.583 1.00 20.00 N ATOM 1117 CA SER A 61 -19.516 -7.093 16.477 1.00 20.00 C ATOM 1118 C SER A 61 -21.001 -6.798 16.669 1.00 20.00 C ATOM 1119 O SER A 61 -21.845 -7.361 15.970 1.00 20.00 O ATOM 1120 CB SER A 61 -19.041 -6.576 15.113 1.00 20.00 C ATOM 1121 OG SER A 61 -17.668 -6.877 14.902 1.00 20.00 O ATOM 0 H SER A 61 -20.100 -9.097 16.366 1.00 20.00 H new ATOM 0 HA SER A 61 -18.949 -6.582 17.255 1.00 20.00 H new ATOM 0 HB2 SER A 61 -19.641 -7.025 14.321 1.00 20.00 H new ATOM 0 HB3 SER A 61 -19.193 -5.498 15.056 1.00 20.00 H new ATOM 0 HG SER A 61 -17.390 -6.539 14.025 1.00 20.00 H new ATOM 1127 N LYS A 62 -21.321 -5.946 17.632 1.00 20.00 N ATOM 1128 CA LYS A 62 -22.707 -5.593 17.902 1.00 20.00 C ATOM 1129 C LYS A 62 -22.977 -4.135 17.543 1.00 20.00 C ATOM 1130 O LYS A 62 -23.922 -3.833 16.815 1.00 20.00 O ATOM 1131 CB LYS A 62 -23.058 -5.854 19.373 1.00 20.00 C ATOM 1132 CG LYS A 62 -22.051 -5.277 20.359 1.00 20.00 C ATOM 1133 CD LYS A 62 -22.597 -5.252 21.777 1.00 20.00 C ATOM 1134 CE LYS A 62 -23.784 -4.309 21.906 1.00 20.00 C ATOM 1135 NZ LYS A 62 -24.199 -4.134 23.321 1.00 20.00 N ATOM 0 H LYS A 62 -20.641 -5.487 18.238 1.00 20.00 H new ATOM 0 HA LYS A 62 -23.341 -6.223 17.278 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -24.040 -5.431 19.583 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -23.133 -6.930 19.533 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -21.136 -5.870 20.332 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -21.784 -4.265 20.055 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -22.898 -6.258 22.069 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -21.810 -4.943 22.465 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -23.526 -3.339 21.481 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -24.622 -4.698 21.327 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -25.010 -3.485 23.367 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -24.470 -5.055 23.720 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -23.408 -3.739 23.868 1.00 20.00 H new ATOM 1149 N GLN A 63 -22.135 -3.246 18.056 1.00 20.00 N ATOM 1150 CA GLN A 63 -22.264 -1.808 17.848 1.00 20.00 C ATOM 1151 C GLN A 63 -20.888 -1.170 17.935 1.00 20.00 C ATOM 1152 O GLN A 63 -20.496 -0.452 16.997 1.00 20.00 O ATOM 1153 CB GLN A 63 -23.189 -1.172 18.894 1.00 20.00 C ATOM 1154 CG GLN A 63 -24.670 -1.448 18.677 1.00 20.00 C ATOM 1155 CD GLN A 63 -25.222 -0.757 17.444 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -25.722 0.365 17.517 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -25.131 -1.421 16.302 1.00 20.00 N ATOM 1158 OXT GLN A 63 -20.180 -1.432 18.931 1.00 20.00 O ATOM 0 H GLN A 63 -21.335 -3.505 18.634 1.00 20.00 H new ATOM 0 HA GLN A 63 -22.701 -1.639 16.864 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -22.905 -1.536 19.881 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -23.029 -0.094 18.894 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -24.825 -2.523 18.586 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -25.229 -1.119 19.553 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -24.709 -2.350 16.284 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -25.483 -1.004 15.440 1.00 20.00 H new TER 1167 GLN A 63