USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 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+ -152:sc= -1.31 (180deg=-2.76!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 67:sc= 0.862 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 164:sc= -0.0711 (180deg=-0.449) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0077) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.901 K(o=-0.9,f=-0.011) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0184 (180deg=-0.133) USER MOD Single : A 31 THR OG1 : rot 70:sc= 0.246 USER MOD Single : A 32 SER OG : rot 77:sc= 0.0293 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.0365 (180deg=-0.33) USER MOD Single : A 56 MET CE :methyl 160:sc= -0.104 (180deg=-0.638) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0259 (180deg=-0.27) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -0.0027 (180deg=-0.176) USER MOD Single : A 63 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -35.935 21.045 46.652 1.00 20.00 N ATOM 2 CA MET A -7 -36.271 19.619 46.862 1.00 20.00 C ATOM 3 C MET A -7 -37.748 19.376 46.581 1.00 20.00 C ATOM 4 O MET A -7 -38.619 19.831 47.325 1.00 20.00 O ATOM 5 CB MET A -7 -35.935 19.196 48.296 1.00 20.00 C ATOM 6 CG MET A -7 -36.238 17.733 48.585 1.00 20.00 C ATOM 7 SD MET A -7 -35.380 16.608 47.466 1.00 20.00 S ATOM 8 CE MET A -7 -33.670 16.994 47.835 1.00 20.00 C ATOM 0 H1 MET A -7 -34.925 21.196 46.847 1.00 20.00 H new ATOM 0 H2 MET A -7 -36.141 21.309 45.667 1.00 20.00 H new ATOM 0 H3 MET A -7 -36.503 21.634 47.294 1.00 20.00 H new ATOM 0 HA MET A -7 -35.677 19.020 46.171 1.00 20.00 H new ATOM 0 HB2 MET A -7 -34.878 19.384 48.483 1.00 20.00 H new ATOM 0 HB3 MET A -7 -36.497 19.819 48.991 1.00 20.00 H new ATOM 0 HG2 MET A -7 -35.954 17.504 49.612 1.00 20.00 H new ATOM 0 HG3 MET A -7 -37.312 17.567 48.507 1.00 20.00 H new ATOM 0 HE1 MET A -7 -33.027 16.204 47.447 1.00 20.00 H new ATOM 0 HE2 MET A -7 -33.402 17.942 47.368 1.00 20.00 H new ATOM 0 HE3 MET A -7 -33.539 17.071 48.914 1.00 20.00 H new ATOM 20 N ASP A -6 -38.023 18.670 45.494 1.00 20.00 N ATOM 21 CA ASP A -6 -39.390 18.338 45.107 1.00 20.00 C ATOM 22 C ASP A -6 -39.398 17.180 44.116 1.00 20.00 C ATOM 23 O ASP A -6 -39.949 16.117 44.396 1.00 20.00 O ATOM 24 CB ASP A -6 -40.128 19.560 44.523 1.00 20.00 C ATOM 25 CG ASP A -6 -39.237 20.481 43.705 1.00 20.00 C ATOM 26 OD1 ASP A -6 -38.534 19.997 42.795 1.00 20.00 O ATOM 27 OD2 ASP A -6 -39.223 21.698 43.985 1.00 20.00 O ATOM 0 H ASP A -6 -37.311 18.312 44.857 1.00 20.00 H new ATOM 0 HA ASP A -6 -39.924 18.032 46.007 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -40.948 19.212 43.895 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -40.571 20.130 45.340 1.00 20.00 H new ATOM 32 N TYR A -5 -38.779 17.388 42.968 1.00 20.00 N ATOM 33 CA TYR A -5 -38.679 16.352 41.948 1.00 20.00 C ATOM 34 C TYR A -5 -37.232 16.175 41.513 1.00 20.00 C ATOM 35 O TYR A -5 -36.398 17.056 41.731 1.00 20.00 O ATOM 36 CB TYR A -5 -39.534 16.702 40.723 1.00 20.00 C ATOM 37 CG TYR A -5 -41.017 16.795 41.002 1.00 20.00 C ATOM 38 CD1 TYR A -5 -41.596 17.992 41.404 1.00 20.00 C ATOM 39 CD2 TYR A -5 -41.838 15.686 40.853 1.00 20.00 C ATOM 40 CE1 TYR A -5 -42.951 18.079 41.654 1.00 20.00 C ATOM 41 CE2 TYR A -5 -43.195 15.766 41.098 1.00 20.00 C ATOM 42 CZ TYR A -5 -43.746 16.964 41.498 1.00 20.00 C ATOM 43 OH TYR A -5 -45.098 17.051 41.739 1.00 20.00 O ATOM 0 H TYR A -5 -38.334 18.270 42.715 1.00 20.00 H new ATOM 0 HA TYR A -5 -39.047 15.422 42.382 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -39.193 17.654 40.317 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -39.368 15.949 39.952 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -40.976 18.869 41.523 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -41.409 14.745 40.540 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -43.386 19.016 41.970 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -43.821 14.894 40.977 1.00 20.00 H new ATOM 0 HH TYR A -5 -45.515 16.178 41.582 1.00 20.00 H new ATOM 53 N LYS A -4 -36.942 15.031 40.914 1.00 20.00 N ATOM 54 CA LYS A -4 -35.632 14.762 40.338 1.00 20.00 C ATOM 55 C LYS A -4 -35.778 13.724 39.232 1.00 20.00 C ATOM 56 O LYS A -4 -36.848 13.136 39.069 1.00 20.00 O ATOM 57 CB LYS A -4 -34.628 14.283 41.403 1.00 20.00 C ATOM 58 CG LYS A -4 -34.953 12.935 42.040 1.00 20.00 C ATOM 59 CD LYS A -4 -36.015 13.053 43.118 1.00 20.00 C ATOM 60 CE LYS A -4 -36.247 11.720 43.805 1.00 20.00 C ATOM 61 NZ LYS A -4 -37.236 11.825 44.906 1.00 20.00 N ATOM 0 H LYS A -4 -37.606 14.263 40.813 1.00 20.00 H new ATOM 0 HA LYS A -4 -35.237 15.689 39.923 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -33.640 14.223 40.947 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -34.571 15.035 42.190 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -35.295 12.244 41.270 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -34.046 12.510 42.470 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -35.709 13.797 43.854 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -36.947 13.406 42.677 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -36.596 10.991 43.073 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -35.302 11.347 44.201 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -37.364 10.892 45.348 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -36.892 12.501 45.618 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -38.146 12.156 44.525 1.00 20.00 H new ATOM 75 N ASP A -3 -34.718 13.509 38.466 1.00 20.00 N ATOM 76 CA ASP A -3 -34.778 12.600 37.327 1.00 20.00 C ATOM 77 C ASP A -3 -34.668 11.147 37.764 1.00 20.00 C ATOM 78 O ASP A -3 -33.569 10.595 37.859 1.00 20.00 O ATOM 79 CB ASP A -3 -33.684 12.923 36.305 1.00 20.00 C ATOM 80 CG ASP A -3 -34.030 14.118 35.441 1.00 20.00 C ATOM 81 OD1 ASP A -3 -35.007 14.033 34.667 1.00 20.00 O ATOM 82 OD2 ASP A -3 -33.320 15.140 35.516 1.00 20.00 O ATOM 0 H ASP A -3 -33.809 13.949 38.610 1.00 20.00 H new ATOM 0 HA ASP A -3 -35.751 12.742 36.856 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -32.748 13.117 36.829 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -33.519 12.054 35.668 1.00 20.00 H new ATOM 87 N ASP A -2 -35.814 10.535 38.038 1.00 20.00 N ATOM 88 CA ASP A -2 -35.869 9.118 38.387 1.00 20.00 C ATOM 89 C ASP A -2 -36.062 8.275 37.139 1.00 20.00 C ATOM 90 O ASP A -2 -35.455 7.218 36.983 1.00 20.00 O ATOM 91 CB ASP A -2 -37.013 8.828 39.363 1.00 20.00 C ATOM 92 CG ASP A -2 -36.738 9.319 40.769 1.00 20.00 C ATOM 93 OD1 ASP A -2 -35.700 8.930 41.343 1.00 20.00 O ATOM 94 OD2 ASP A -2 -37.574 10.073 41.314 1.00 20.00 O ATOM 0 H ASP A -2 -36.722 10.999 38.025 1.00 20.00 H new ATOM 0 HA ASP A -2 -34.924 8.863 38.866 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -37.925 9.297 38.993 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -37.195 7.754 39.390 1.00 20.00 H new ATOM 99 N ASP A -1 -36.910 8.764 36.247 1.00 20.00 N ATOM 100 CA ASP A -1 -37.244 8.043 35.022 1.00 20.00 C ATOM 101 C ASP A -1 -36.024 7.897 34.123 1.00 20.00 C ATOM 102 O ASP A -1 -35.823 6.856 33.499 1.00 20.00 O ATOM 103 CB ASP A -1 -38.368 8.757 34.262 1.00 20.00 C ATOM 104 CG ASP A -1 -39.665 8.813 35.046 1.00 20.00 C ATOM 105 OD1 ASP A -1 -40.486 7.878 34.924 1.00 20.00 O ATOM 106 OD2 ASP A -1 -39.871 9.793 35.794 1.00 20.00 O ATOM 0 H ASP A -1 -37.383 9.662 36.347 1.00 20.00 H new ATOM 0 HA ASP A -1 -37.586 7.048 35.307 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -38.050 9.772 34.022 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -38.543 8.245 33.316 1.00 20.00 H new ATOM 111 N ASP A 0 -35.197 8.936 34.089 1.00 20.00 N ATOM 112 CA ASP A 0 -34.004 8.949 33.240 1.00 20.00 C ATOM 113 C ASP A 0 -32.949 7.957 33.741 1.00 20.00 C ATOM 114 O ASP A 0 -31.995 7.641 33.033 1.00 20.00 O ATOM 115 CB ASP A 0 -33.417 10.364 33.178 1.00 20.00 C ATOM 116 CG ASP A 0 -32.245 10.478 32.220 1.00 20.00 C ATOM 117 OD1 ASP A 0 -32.475 10.574 30.994 1.00 20.00 O ATOM 118 OD2 ASP A 0 -31.087 10.476 32.691 1.00 20.00 O ATOM 0 H ASP A 0 -35.329 9.784 34.640 1.00 20.00 H new ATOM 0 HA ASP A 0 -34.301 8.640 32.238 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -34.197 11.062 32.874 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -33.094 10.662 34.176 1.00 20.00 H new ATOM 123 N LYS A 1 -33.136 7.449 34.957 1.00 20.00 N ATOM 124 CA LYS A 1 -32.210 6.469 35.526 1.00 20.00 C ATOM 125 C LYS A 1 -32.423 5.100 34.890 1.00 20.00 C ATOM 126 O LYS A 1 -31.626 4.181 35.079 1.00 20.00 O ATOM 127 CB LYS A 1 -32.392 6.364 37.043 1.00 20.00 C ATOM 128 CG LYS A 1 -32.042 7.640 37.792 1.00 20.00 C ATOM 129 CD LYS A 1 -32.297 7.511 39.289 1.00 20.00 C ATOM 130 CE LYS A 1 -31.155 6.822 40.029 1.00 20.00 C ATOM 131 NZ LYS A 1 -30.965 5.404 39.619 1.00 20.00 N ATOM 0 H LYS A 1 -33.916 7.697 35.566 1.00 20.00 H new ATOM 0 HA LYS A 1 -31.195 6.807 35.316 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -33.427 6.100 37.258 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -31.771 5.551 37.419 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -30.993 7.884 37.623 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -32.630 8.467 37.394 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -32.451 8.503 39.713 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -33.218 6.950 39.448 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -30.231 7.372 39.852 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -31.349 6.861 41.101 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -30.557 4.866 40.410 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -31.883 4.992 39.357 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -30.322 5.362 38.803 1.00 20.00 H new ATOM 145 N ASN A 2 -33.510 4.978 34.144 1.00 20.00 N ATOM 146 CA ASN A 2 -33.821 3.757 33.423 1.00 20.00 C ATOM 147 C ASN A 2 -33.862 4.064 31.935 1.00 20.00 C ATOM 148 O ASN A 2 -34.232 5.171 31.544 1.00 20.00 O ATOM 149 CB ASN A 2 -35.177 3.185 33.865 1.00 20.00 C ATOM 150 CG ASN A 2 -35.214 2.786 35.329 1.00 20.00 C ATOM 151 OD1 ASN A 2 -34.881 1.657 35.688 1.00 20.00 O ATOM 152 ND2 ASN A 2 -35.639 3.704 36.187 1.00 20.00 N ATOM 0 H ASN A 2 -34.198 5.721 34.023 1.00 20.00 H new ATOM 0 HA ASN A 2 -33.052 3.015 33.638 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -35.954 3.926 33.678 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -35.413 2.315 33.253 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -35.698 3.484 37.181 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -35.907 4.630 35.852 1.00 20.00 H new ATOM 159 N ARG A 3 -33.483 3.105 31.103 1.00 20.00 N ATOM 160 CA ARG A 3 -33.532 3.307 29.660 1.00 20.00 C ATOM 161 C ARG A 3 -34.934 3.028 29.130 1.00 20.00 C ATOM 162 O ARG A 3 -35.145 2.135 28.305 1.00 20.00 O ATOM 163 CB ARG A 3 -32.491 2.450 28.931 1.00 20.00 C ATOM 164 CG ARG A 3 -32.519 0.972 29.288 1.00 20.00 C ATOM 165 CD ARG A 3 -31.520 0.189 28.449 1.00 20.00 C ATOM 166 NE ARG A 3 -30.173 0.760 28.524 1.00 20.00 N ATOM 167 CZ ARG A 3 -29.256 0.630 27.564 1.00 20.00 C ATOM 168 NH1 ARG A 3 -29.518 -0.090 26.481 1.00 20.00 N ATOM 169 NH2 ARG A 3 -28.070 1.208 27.693 1.00 20.00 N ATOM 0 H ARG A 3 -33.142 2.189 31.396 1.00 20.00 H new ATOM 0 HA ARG A 3 -33.287 4.351 29.463 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -32.644 2.553 27.857 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -31.499 2.844 29.151 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -32.289 0.845 30.346 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -33.522 0.575 29.130 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -31.494 -0.846 28.789 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -31.851 0.176 27.410 1.00 20.00 H new ATOM 0 HE ARG A 3 -29.921 1.288 29.360 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -30.424 -0.547 26.379 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -28.813 -0.186 25.750 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -27.857 1.754 28.528 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -27.371 1.107 26.957 1.00 20.00 H new ATOM 183 N ALA A 4 -35.888 3.809 29.613 1.00 20.00 N ATOM 184 CA ALA A 4 -37.276 3.673 29.210 1.00 20.00 C ATOM 185 C ALA A 4 -37.470 4.183 27.788 1.00 20.00 C ATOM 186 O ALA A 4 -36.714 5.043 27.324 1.00 20.00 O ATOM 187 CB ALA A 4 -38.170 4.437 30.177 1.00 20.00 C ATOM 0 H ALA A 4 -35.721 4.551 30.292 1.00 20.00 H new ATOM 0 HA ALA A 4 -37.550 2.618 29.234 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -39.211 4.332 29.871 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -38.046 4.035 31.183 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -37.895 5.492 30.171 1.00 20.00 H new ATOM 193 N LEU A 5 -38.469 3.640 27.096 1.00 20.00 N ATOM 194 CA LEU A 5 -38.775 4.061 25.734 1.00 20.00 C ATOM 195 C LEU A 5 -39.149 5.537 25.715 1.00 20.00 C ATOM 196 O LEU A 5 -40.246 5.919 26.126 1.00 20.00 O ATOM 197 CB LEU A 5 -39.918 3.229 25.132 1.00 20.00 C ATOM 198 CG LEU A 5 -39.575 1.796 24.682 1.00 20.00 C ATOM 199 CD1 LEU A 5 -38.415 1.790 23.695 1.00 20.00 C ATOM 200 CD2 LEU A 5 -39.267 0.899 25.873 1.00 20.00 C ATOM 0 H LEU A 5 -39.080 2.907 27.458 1.00 20.00 H new ATOM 0 HA LEU A 5 -37.883 3.902 25.128 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -40.719 3.171 25.869 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -40.314 3.769 24.272 1.00 20.00 H new ATOM 0 HG LEU A 5 -40.454 1.396 24.176 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -38.197 0.765 23.396 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -38.683 2.375 22.815 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -37.534 2.226 24.166 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -39.029 -0.105 25.521 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -38.416 1.302 26.422 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -40.135 0.856 26.531 1.00 20.00 H new ATOM 212 N SER A 6 -38.225 6.358 25.246 1.00 20.00 N ATOM 213 CA SER A 6 -38.415 7.794 25.227 1.00 20.00 C ATOM 214 C SER A 6 -38.334 8.315 23.795 1.00 20.00 C ATOM 215 O SER A 6 -37.455 7.909 23.033 1.00 20.00 O ATOM 216 CB SER A 6 -37.347 8.459 26.096 1.00 20.00 C ATOM 217 OG SER A 6 -37.254 7.815 27.357 1.00 20.00 O ATOM 0 H SER A 6 -37.329 6.049 24.871 1.00 20.00 H new ATOM 0 HA SER A 6 -39.401 8.034 25.626 1.00 20.00 H new ATOM 0 HB2 SER A 6 -36.383 8.419 25.590 1.00 20.00 H new ATOM 0 HB3 SER A 6 -37.590 9.512 26.237 1.00 20.00 H new ATOM 0 HG SER A 6 -36.912 6.905 27.235 1.00 20.00 H new ATOM 223 N PRO A 7 -39.239 9.231 23.412 1.00 20.00 N ATOM 224 CA PRO A 7 -39.293 9.778 22.048 1.00 20.00 C ATOM 225 C PRO A 7 -38.135 10.732 21.739 1.00 20.00 C ATOM 226 O PRO A 7 -38.228 11.564 20.834 1.00 20.00 O ATOM 227 CB PRO A 7 -40.624 10.534 22.026 1.00 20.00 C ATOM 228 CG PRO A 7 -40.863 10.914 23.445 1.00 20.00 C ATOM 229 CD PRO A 7 -40.291 9.799 24.276 1.00 20.00 C ATOM 0 HA PRO A 7 -39.212 8.992 21.297 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -40.570 11.413 21.384 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -41.429 9.908 21.642 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -40.381 11.863 23.681 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -41.928 11.040 23.641 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -39.882 10.168 25.216 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -41.048 9.056 24.527 1.00 20.00 H new ATOM 237 N MET A 8 -37.051 10.598 22.490 1.00 20.00 N ATOM 238 CA MET A 8 -35.860 11.410 22.289 1.00 20.00 C ATOM 239 C MET A 8 -35.194 11.026 20.972 1.00 20.00 C ATOM 240 O MET A 8 -34.670 11.878 20.256 1.00 20.00 O ATOM 241 CB MET A 8 -34.897 11.230 23.474 1.00 20.00 C ATOM 242 CG MET A 8 -33.640 12.089 23.409 1.00 20.00 C ATOM 243 SD MET A 8 -32.354 11.387 22.352 1.00 20.00 S ATOM 244 CE MET A 8 -31.076 12.628 22.518 1.00 20.00 C ATOM 0 H MET A 8 -36.973 9.926 23.253 1.00 20.00 H new ATOM 0 HA MET A 8 -36.138 12.463 22.238 1.00 20.00 H new ATOM 0 HB2 MET A 8 -35.430 11.460 24.396 1.00 20.00 H new ATOM 0 HB3 MET A 8 -34.602 10.182 23.529 1.00 20.00 H new ATOM 0 HG2 MET A 8 -33.904 13.080 23.040 1.00 20.00 H new ATOM 0 HG3 MET A 8 -33.243 12.218 24.416 1.00 20.00 H new ATOM 0 HE1 MET A 8 -30.210 12.340 21.922 1.00 20.00 H new ATOM 0 HE2 MET A 8 -31.454 13.589 22.168 1.00 20.00 H new ATOM 0 HE3 MET A 8 -30.784 12.712 23.565 1.00 20.00 H new ATOM 254 N VAL A 9 -35.235 9.739 20.652 1.00 20.00 N ATOM 255 CA VAL A 9 -34.716 9.259 19.380 1.00 20.00 C ATOM 256 C VAL A 9 -35.693 9.594 18.256 1.00 20.00 C ATOM 257 O VAL A 9 -36.899 9.374 18.379 1.00 20.00 O ATOM 258 CB VAL A 9 -34.430 7.738 19.399 1.00 20.00 C ATOM 259 CG1 VAL A 9 -33.302 7.418 20.369 1.00 20.00 C ATOM 260 CG2 VAL A 9 -35.679 6.943 19.760 1.00 20.00 C ATOM 0 H VAL A 9 -35.621 9.012 21.254 1.00 20.00 H new ATOM 0 HA VAL A 9 -33.767 9.766 19.205 1.00 20.00 H new ATOM 0 HB VAL A 9 -34.123 7.446 18.395 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -33.115 6.344 20.369 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -32.398 7.944 20.062 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -33.584 7.737 21.373 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -35.444 5.879 19.765 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -36.027 7.242 20.749 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -36.460 7.139 19.025 1.00 20.00 H new ATOM 270 N SER A 10 -35.175 10.135 17.167 1.00 20.00 N ATOM 271 CA SER A 10 -36.017 10.585 16.068 1.00 20.00 C ATOM 272 C SER A 10 -36.047 9.559 14.940 1.00 20.00 C ATOM 273 O SER A 10 -36.070 9.923 13.762 1.00 20.00 O ATOM 274 CB SER A 10 -35.514 11.932 15.550 1.00 20.00 C ATOM 275 OG SER A 10 -35.362 12.856 16.616 1.00 20.00 O ATOM 0 H SER A 10 -34.176 10.274 17.018 1.00 20.00 H new ATOM 0 HA SER A 10 -37.035 10.700 16.439 1.00 20.00 H new ATOM 0 HB2 SER A 10 -34.560 11.798 15.040 1.00 20.00 H new ATOM 0 HB3 SER A 10 -36.215 12.329 14.815 1.00 20.00 H new ATOM 0 HG SER A 10 -35.038 13.711 16.264 1.00 20.00 H new ATOM 281 N GLU A 11 -36.059 8.280 15.319 1.00 20.00 N ATOM 282 CA GLU A 11 -36.082 7.164 14.364 1.00 20.00 C ATOM 283 C GLU A 11 -34.761 7.059 13.598 1.00 20.00 C ATOM 284 O GLU A 11 -33.967 8.002 13.561 1.00 20.00 O ATOM 285 CB GLU A 11 -37.256 7.302 13.387 1.00 20.00 C ATOM 286 CG GLU A 11 -38.622 7.229 14.050 1.00 20.00 C ATOM 287 CD GLU A 11 -39.753 7.444 13.067 1.00 20.00 C ATOM 288 OE1 GLU A 11 -40.099 8.613 12.806 1.00 20.00 O ATOM 289 OE2 GLU A 11 -40.295 6.446 12.547 1.00 20.00 O ATOM 0 H GLU A 11 -36.053 7.986 16.296 1.00 20.00 H new ATOM 0 HA GLU A 11 -36.215 6.246 14.937 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -37.169 8.253 12.862 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -37.185 6.515 12.636 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -38.739 6.256 14.528 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -38.681 7.980 14.838 1.00 20.00 H new ATOM 296 N PHE A 12 -34.523 5.899 13.007 1.00 20.00 N ATOM 297 CA PHE A 12 -33.291 5.646 12.278 1.00 20.00 C ATOM 298 C PHE A 12 -33.590 5.376 10.808 1.00 20.00 C ATOM 299 O PHE A 12 -34.643 4.831 10.472 1.00 20.00 O ATOM 300 CB PHE A 12 -32.559 4.452 12.895 1.00 20.00 C ATOM 301 CG PHE A 12 -32.070 4.703 14.298 1.00 20.00 C ATOM 302 CD1 PHE A 12 -30.812 5.248 14.518 1.00 20.00 C ATOM 303 CD2 PHE A 12 -32.864 4.398 15.394 1.00 20.00 C ATOM 304 CE1 PHE A 12 -30.359 5.480 15.803 1.00 20.00 C ATOM 305 CE2 PHE A 12 -32.414 4.630 16.679 1.00 20.00 C ATOM 306 CZ PHE A 12 -31.161 5.171 16.884 1.00 20.00 C ATOM 0 H PHE A 12 -35.172 5.113 13.019 1.00 20.00 H new ATOM 0 HA PHE A 12 -32.654 6.528 12.345 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -33.227 3.591 12.901 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -31.709 4.192 12.264 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -30.181 5.493 13.676 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -33.845 3.974 15.241 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -29.378 5.903 15.962 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -33.043 4.388 17.523 1.00 20.00 H new ATOM 0 HZ PHE A 12 -30.808 5.352 17.888 1.00 20.00 H new ATOM 316 N GLU A 13 -32.672 5.772 9.940 1.00 20.00 N ATOM 317 CA GLU A 13 -32.818 5.543 8.510 1.00 20.00 C ATOM 318 C GLU A 13 -32.421 4.111 8.159 1.00 20.00 C ATOM 319 O GLU A 13 -31.511 3.544 8.769 1.00 20.00 O ATOM 320 CB GLU A 13 -31.952 6.535 7.722 1.00 20.00 C ATOM 321 CG GLU A 13 -31.979 6.317 6.218 1.00 20.00 C ATOM 322 CD GLU A 13 -31.056 7.260 5.478 1.00 20.00 C ATOM 323 OE1 GLU A 13 -29.849 7.289 5.795 1.00 20.00 O ATOM 324 OE2 GLU A 13 -31.532 7.986 4.579 1.00 20.00 O ATOM 0 H GLU A 13 -31.813 6.256 10.202 1.00 20.00 H new ATOM 0 HA GLU A 13 -33.863 5.695 8.240 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -32.290 7.549 7.938 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -30.922 6.461 8.072 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -31.694 5.288 5.998 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -32.997 6.450 5.853 1.00 20.00 H new ATOM 331 N THR A 14 -33.112 3.532 7.191 1.00 20.00 N ATOM 332 CA THR A 14 -32.783 2.210 6.702 1.00 20.00 C ATOM 333 C THR A 14 -31.789 2.310 5.550 1.00 20.00 C ATOM 334 O THR A 14 -32.056 2.958 4.537 1.00 20.00 O ATOM 335 CB THR A 14 -34.042 1.460 6.226 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.985 1.347 7.303 1.00 20.00 O ATOM 337 CG2 THR A 14 -33.686 0.073 5.713 1.00 20.00 C ATOM 0 H THR A 14 -33.911 3.964 6.727 1.00 20.00 H new ATOM 0 HA THR A 14 -32.338 1.652 7.526 1.00 20.00 H new ATOM 0 HB THR A 14 -34.488 2.029 5.410 1.00 20.00 H new ATOM 0 HG1 THR A 14 -35.783 0.871 6.991 1.00 20.00 H new ATOM 0 HG21 THR A 14 -34.591 -0.436 5.383 1.00 20.00 H new ATOM 0 HG22 THR A 14 -32.994 0.161 4.876 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.218 -0.501 6.512 1.00 20.00 H new ATOM 345 N ILE A 15 -30.634 1.690 5.718 1.00 20.00 N ATOM 346 CA ILE A 15 -29.634 1.669 4.671 1.00 20.00 C ATOM 347 C ILE A 15 -29.822 0.425 3.811 1.00 20.00 C ATOM 348 O ILE A 15 -29.493 -0.688 4.225 1.00 20.00 O ATOM 349 CB ILE A 15 -28.187 1.703 5.218 1.00 20.00 C ATOM 350 CG1 ILE A 15 -27.950 2.915 6.132 1.00 20.00 C ATOM 351 CG2 ILE A 15 -27.204 1.734 4.061 1.00 20.00 C ATOM 352 CD1 ILE A 15 -28.501 2.762 7.535 1.00 20.00 C ATOM 0 H ILE A 15 -30.368 1.196 6.570 1.00 20.00 H new ATOM 0 HA ILE A 15 -29.774 2.572 4.078 1.00 20.00 H new ATOM 0 HB ILE A 15 -28.034 0.803 5.813 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -26.878 3.102 6.195 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -28.401 3.794 5.672 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -26.186 1.758 4.449 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -27.337 0.844 3.446 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -27.382 2.623 3.456 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -28.289 3.664 8.110 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.579 2.607 7.488 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -28.032 1.905 8.018 1.00 20.00 H new ATOM 364 N GLU A 16 -30.353 0.624 2.612 1.00 20.00 N ATOM 365 CA GLU A 16 -30.697 -0.472 1.716 1.00 20.00 C ATOM 366 C GLU A 16 -29.457 -1.251 1.290 1.00 20.00 C ATOM 367 O GLU A 16 -29.508 -2.470 1.126 1.00 20.00 O ATOM 368 CB GLU A 16 -31.455 0.044 0.479 1.00 20.00 C ATOM 369 CG GLU A 16 -30.682 1.032 -0.390 1.00 20.00 C ATOM 370 CD GLU A 16 -30.529 2.398 0.247 1.00 20.00 C ATOM 371 OE1 GLU A 16 -29.554 2.603 0.996 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.388 3.271 0.012 1.00 20.00 O ATOM 0 H GLU A 16 -30.557 1.549 2.233 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.351 -1.149 2.265 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.740 -0.810 -0.135 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.378 0.520 0.810 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -29.693 0.624 -0.600 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.192 1.140 -1.347 1.00 20.00 H new ATOM 379 N GLN A 17 -28.340 -0.550 1.134 1.00 20.00 N ATOM 380 CA GLN A 17 -27.105 -1.185 0.692 1.00 20.00 C ATOM 381 C GLN A 17 -26.468 -2.002 1.810 1.00 20.00 C ATOM 382 O GLN A 17 -25.891 -3.057 1.564 1.00 20.00 O ATOM 383 CB GLN A 17 -26.109 -0.150 0.169 1.00 20.00 C ATOM 384 CG GLN A 17 -26.537 0.511 -1.133 1.00 20.00 C ATOM 385 CD GLN A 17 -25.439 1.367 -1.731 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.616 0.881 -2.505 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.419 2.643 -1.386 1.00 20.00 N ATOM 0 H GLN A 17 -28.264 0.453 1.306 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.365 -1.861 -0.122 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.968 0.620 0.927 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.143 -0.632 0.020 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.827 -0.257 -1.850 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.418 1.127 -0.953 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.120 3.008 -0.741 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.703 3.263 -1.765 1.00 20.00 H new ATOM 396 N GLU A 18 -26.594 -1.528 3.040 1.00 20.00 N ATOM 397 CA GLU A 18 -26.001 -2.219 4.176 1.00 20.00 C ATOM 398 C GLU A 18 -26.882 -3.394 4.579 1.00 20.00 C ATOM 399 O GLU A 18 -26.402 -4.404 5.093 1.00 20.00 O ATOM 400 CB GLU A 18 -25.798 -1.250 5.345 1.00 20.00 C ATOM 401 CG GLU A 18 -25.101 -1.862 6.549 1.00 20.00 C ATOM 402 CD GLU A 18 -24.730 -0.822 7.584 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.618 -0.391 8.347 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.543 -0.424 7.628 1.00 20.00 O ATOM 0 H GLU A 18 -27.098 -0.673 3.277 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.022 -2.604 3.892 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -25.216 -0.396 4.998 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.770 -0.867 5.658 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.753 -2.608 7.004 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -24.201 -2.382 6.220 1.00 20.00 H new ATOM 411 N ASN A 19 -28.176 -3.268 4.311 1.00 20.00 N ATOM 412 CA ASN A 19 -29.114 -4.364 4.536 1.00 20.00 C ATOM 413 C ASN A 19 -28.886 -5.482 3.529 1.00 20.00 C ATOM 414 O ASN A 19 -29.318 -6.612 3.735 1.00 20.00 O ATOM 415 CB ASN A 19 -30.563 -3.877 4.461 1.00 20.00 C ATOM 416 CG ASN A 19 -31.095 -3.414 5.805 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.702 -4.192 6.544 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.858 -2.156 6.141 1.00 20.00 N ATOM 0 H ASN A 19 -28.601 -2.419 3.938 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.935 -4.752 5.539 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.630 -3.057 3.746 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.193 -4.682 4.083 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.181 -1.799 7.040 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.352 -1.544 5.501 1.00 20.00 H new ATOM 425 N SER A 20 -28.184 -5.169 2.447 1.00 20.00 N ATOM 426 CA SER A 20 -27.830 -6.177 1.457 1.00 20.00 C ATOM 427 C SER A 20 -26.799 -7.134 2.047 1.00 20.00 C ATOM 428 O SER A 20 -26.707 -8.297 1.651 1.00 20.00 O ATOM 429 CB SER A 20 -27.288 -5.520 0.180 1.00 20.00 C ATOM 430 OG SER A 20 -26.998 -6.485 -0.816 1.00 20.00 O ATOM 0 H SER A 20 -27.850 -4.229 2.234 1.00 20.00 H new ATOM 0 HA SER A 20 -28.725 -6.738 1.190 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.019 -4.808 -0.203 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.386 -4.955 0.415 1.00 20.00 H new ATOM 0 HG SER A 20 -26.656 -6.036 -1.617 1.00 20.00 H new ATOM 436 N TYR A 21 -26.044 -6.643 3.023 1.00 20.00 N ATOM 437 CA TYR A 21 -25.057 -7.460 3.713 1.00 20.00 C ATOM 438 C TYR A 21 -25.746 -8.463 4.632 1.00 20.00 C ATOM 439 O TYR A 21 -25.149 -9.457 5.044 1.00 20.00 O ATOM 440 CB TYR A 21 -24.084 -6.583 4.505 1.00 20.00 C ATOM 441 CG TYR A 21 -23.095 -5.843 3.629 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.467 -4.700 2.930 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.787 -6.292 3.498 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.567 -4.030 2.126 1.00 20.00 C ATOM 445 CE2 TYR A 21 -20.880 -5.625 2.697 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.276 -4.496 2.012 1.00 20.00 C ATOM 447 OH TYR A 21 -20.374 -3.833 1.209 1.00 20.00 O ATOM 0 H TYR A 21 -26.098 -5.680 3.354 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.485 -8.011 2.966 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.652 -5.860 5.091 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.537 -7.207 5.212 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.478 -4.330 3.018 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.474 -7.177 4.031 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -22.874 -3.145 1.589 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -19.866 -5.986 2.608 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.509 -4.292 1.241 1.00 20.00 H new ATOM 457 N ASN A 22 -27.010 -8.198 4.944 1.00 20.00 N ATOM 458 CA ASN A 22 -27.807 -9.119 5.744 1.00 20.00 C ATOM 459 C ASN A 22 -28.123 -10.359 4.916 1.00 20.00 C ATOM 460 O ASN A 22 -28.077 -11.484 5.414 1.00 20.00 O ATOM 461 CB ASN A 22 -29.106 -8.453 6.214 1.00 20.00 C ATOM 462 CG ASN A 22 -29.873 -9.297 7.215 1.00 20.00 C ATOM 463 OD1 ASN A 22 -31.104 -9.336 7.196 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.159 -9.944 8.125 1.00 20.00 N ATOM 0 H ASN A 22 -27.504 -7.354 4.655 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.236 -9.403 6.628 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.872 -7.488 6.664 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.741 -8.256 5.350 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.628 -10.498 8.842 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.141 -9.888 8.109 1.00 20.00 H new ATOM 471 N GLU A 23 -28.419 -10.141 3.640 1.00 20.00 N ATOM 472 CA GLU A 23 -28.645 -11.233 2.705 1.00 20.00 C ATOM 473 C GLU A 23 -27.321 -11.900 2.350 1.00 20.00 C ATOM 474 O GLU A 23 -27.246 -13.119 2.195 1.00 20.00 O ATOM 475 CB GLU A 23 -29.344 -10.731 1.435 1.00 20.00 C ATOM 476 CG GLU A 23 -30.857 -10.588 1.563 1.00 20.00 C ATOM 477 CD GLU A 23 -31.293 -9.586 2.614 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.409 -9.967 3.793 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.548 -8.417 2.257 1.00 20.00 O ATOM 0 H GLU A 23 -28.508 -9.212 3.229 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.295 -11.965 3.184 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.922 -9.764 1.161 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.124 -11.418 0.618 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.267 -10.289 0.598 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.285 -11.561 1.803 1.00 20.00 H new ATOM 486 N TRP A 24 -26.274 -11.087 2.246 1.00 20.00 N ATOM 487 CA TRP A 24 -24.924 -11.586 1.997 1.00 20.00 C ATOM 488 C TRP A 24 -24.484 -12.531 3.111 1.00 20.00 C ATOM 489 O TRP A 24 -23.695 -13.444 2.885 1.00 20.00 O ATOM 490 CB TRP A 24 -23.939 -10.417 1.870 1.00 20.00 C ATOM 491 CG TRP A 24 -22.512 -10.844 1.692 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.479 -10.618 2.555 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.962 -11.582 0.592 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.321 -11.162 2.058 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.591 -11.760 0.856 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.495 -12.107 -0.589 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.748 -12.441 -0.018 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.657 -12.783 -1.454 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.297 -12.944 -1.164 1.00 20.00 C ATOM 0 H TRP A 24 -26.335 -10.072 2.331 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.931 -12.141 1.059 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.232 -9.798 1.022 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.013 -9.793 2.761 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.561 -10.088 3.493 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.408 -11.127 2.511 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.543 -11.986 -0.821 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.698 -12.567 0.202 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.057 -13.194 -2.369 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.668 -13.477 -1.861 1.00 20.00 H new ATOM 510 N LEU A 25 -25.011 -12.316 4.309 1.00 20.00 N ATOM 511 CA LEU A 25 -24.723 -13.183 5.447 1.00 20.00 C ATOM 512 C LEU A 25 -25.145 -14.618 5.125 1.00 20.00 C ATOM 513 O LEU A 25 -24.446 -15.576 5.460 1.00 20.00 O ATOM 514 CB LEU A 25 -25.460 -12.651 6.691 1.00 20.00 C ATOM 515 CG LEU A 25 -25.053 -13.237 8.058 1.00 20.00 C ATOM 516 CD1 LEU A 25 -25.582 -14.653 8.249 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.541 -13.209 8.229 1.00 20.00 C ATOM 0 H LEU A 25 -25.644 -11.544 4.520 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.653 -13.185 5.653 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.318 -11.571 6.731 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -26.527 -12.827 6.552 1.00 20.00 H new ATOM 0 HG LEU A 25 -25.505 -12.609 8.825 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -25.273 -15.028 9.224 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -26.670 -14.646 8.191 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -25.182 -15.299 7.468 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.277 -13.627 9.200 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.075 -13.800 7.441 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.187 -12.180 8.169 1.00 20.00 H new ATOM 529 N ARG A 26 -26.271 -14.751 4.435 1.00 20.00 N ATOM 530 CA ARG A 26 -26.810 -16.058 4.085 1.00 20.00 C ATOM 531 C ARG A 26 -26.055 -16.657 2.902 1.00 20.00 C ATOM 532 O ARG A 26 -26.072 -17.868 2.687 1.00 20.00 O ATOM 533 CB ARG A 26 -28.301 -15.940 3.752 1.00 20.00 C ATOM 534 CG ARG A 26 -29.137 -15.350 4.878 1.00 20.00 C ATOM 535 CD ARG A 26 -29.057 -16.191 6.143 1.00 20.00 C ATOM 536 NE ARG A 26 -29.814 -15.593 7.241 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.781 -16.035 8.497 1.00 20.00 C ATOM 538 NH1 ARG A 26 -29.043 -17.088 8.816 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.488 -15.418 9.434 1.00 20.00 N ATOM 0 H ARG A 26 -26.831 -13.965 4.105 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.687 -16.721 4.942 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.417 -15.320 2.863 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.688 -16.929 3.504 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.795 -14.338 5.093 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -30.176 -15.274 4.558 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.440 -17.191 5.940 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.014 -16.303 6.439 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.404 -14.787 7.033 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.497 -17.564 8.098 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -29.021 -17.423 9.779 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.056 -14.606 9.192 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.464 -15.755 10.396 1.00 20.00 H new ATOM 553 N ALA A 27 -25.395 -15.802 2.136 1.00 20.00 N ATOM 554 CA ALA A 27 -24.627 -16.246 0.983 1.00 20.00 C ATOM 555 C ALA A 27 -23.196 -16.587 1.375 1.00 20.00 C ATOM 556 O ALA A 27 -22.604 -17.532 0.853 1.00 20.00 O ATOM 557 CB ALA A 27 -24.634 -15.176 -0.096 1.00 20.00 C ATOM 0 H ALA A 27 -25.376 -14.794 2.293 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.096 -17.149 0.592 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.056 -15.520 -0.954 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.660 -14.978 -0.406 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.191 -14.261 0.296 1.00 20.00 H new ATOM 563 N LYS A 28 -22.656 -15.821 2.312 1.00 20.00 N ATOM 564 CA LYS A 28 -21.278 -15.985 2.754 1.00 20.00 C ATOM 565 C LYS A 28 -21.058 -17.368 3.358 1.00 20.00 C ATOM 566 O LYS A 28 -20.013 -17.982 3.148 1.00 20.00 O ATOM 567 CB LYS A 28 -20.911 -14.895 3.770 1.00 20.00 C ATOM 568 CG LYS A 28 -19.484 -14.991 4.291 1.00 20.00 C ATOM 569 CD LYS A 28 -19.132 -13.816 5.194 1.00 20.00 C ATOM 570 CE LYS A 28 -19.986 -13.785 6.461 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.772 -14.987 7.311 1.00 20.00 N ATOM 0 H LYS A 28 -23.158 -15.071 2.786 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.629 -15.888 1.884 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.053 -13.918 3.307 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.600 -14.952 4.613 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.360 -15.923 4.842 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.791 -15.024 3.450 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.079 -13.874 5.469 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.267 -12.884 4.644 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.749 -12.889 7.035 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -21.039 -13.719 6.186 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -20.236 -14.848 8.231 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.178 -15.821 6.841 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.752 -15.133 7.456 1.00 20.00 H new ATOM 585 N VAL A 29 -22.055 -17.863 4.086 1.00 20.00 N ATOM 586 CA VAL A 29 -21.962 -19.180 4.710 1.00 20.00 C ATOM 587 C VAL A 29 -21.873 -20.281 3.651 1.00 20.00 C ATOM 588 O VAL A 29 -21.345 -21.364 3.903 1.00 20.00 O ATOM 589 CB VAL A 29 -23.158 -19.447 5.658 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.470 -19.535 4.892 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.927 -20.707 6.479 1.00 20.00 C ATOM 0 H VAL A 29 -22.934 -17.374 4.258 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.049 -19.192 5.306 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.231 -18.601 6.341 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.286 -19.723 5.589 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.649 -18.596 4.368 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.415 -20.349 4.169 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.780 -20.874 7.137 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.812 -21.561 5.811 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.024 -20.590 7.078 1.00 20.00 H new ATOM 601 N ALA A 30 -22.364 -19.986 2.454 1.00 20.00 N ATOM 602 CA ALA A 30 -22.325 -20.940 1.359 1.00 20.00 C ATOM 603 C ALA A 30 -21.003 -20.833 0.608 1.00 20.00 C ATOM 604 O ALA A 30 -20.499 -21.819 0.068 1.00 20.00 O ATOM 605 CB ALA A 30 -23.501 -20.719 0.420 1.00 20.00 C ATOM 0 H ALA A 30 -22.794 -19.091 2.219 1.00 20.00 H new ATOM 0 HA ALA A 30 -22.403 -21.946 1.770 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -23.457 -21.442 -0.395 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -24.434 -20.847 0.969 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -23.456 -19.709 0.012 1.00 20.00 H new ATOM 611 N THR A 31 -20.443 -19.630 0.580 1.00 20.00 N ATOM 612 CA THR A 31 -19.156 -19.402 -0.054 1.00 20.00 C ATOM 613 C THR A 31 -18.034 -19.969 0.813 1.00 20.00 C ATOM 614 O THR A 31 -17.124 -20.634 0.316 1.00 20.00 O ATOM 615 CB THR A 31 -18.915 -17.900 -0.297 1.00 20.00 C ATOM 616 OG1 THR A 31 -20.087 -17.307 -0.872 1.00 20.00 O ATOM 617 CG2 THR A 31 -17.731 -17.687 -1.227 1.00 20.00 C ATOM 0 H THR A 31 -20.864 -18.797 0.991 1.00 20.00 H new ATOM 0 HA THR A 31 -19.162 -19.911 -1.018 1.00 20.00 H new ATOM 0 HB THR A 31 -18.696 -17.428 0.661 1.00 20.00 H new ATOM 0 HG1 THR A 31 -20.802 -17.279 -0.202 1.00 20.00 H new ATOM 0 HG21 THR A 31 -17.579 -16.619 -1.384 1.00 20.00 H new ATOM 0 HG22 THR A 31 -16.835 -18.119 -0.780 1.00 20.00 H new ATOM 0 HG23 THR A 31 -17.928 -18.170 -2.184 1.00 20.00 H new ATOM 625 N SER A 32 -18.114 -19.719 2.115 1.00 20.00 N ATOM 626 CA SER A 32 -17.137 -20.245 3.061 1.00 20.00 C ATOM 627 C SER A 32 -17.503 -21.677 3.452 1.00 20.00 C ATOM 628 O SER A 32 -17.752 -21.975 4.621 1.00 20.00 O ATOM 629 CB SER A 32 -17.078 -19.356 4.306 1.00 20.00 C ATOM 630 OG SER A 32 -16.927 -17.990 3.949 1.00 20.00 O ATOM 0 H SER A 32 -18.848 -19.153 2.541 1.00 20.00 H new ATOM 0 HA SER A 32 -16.155 -20.250 2.587 1.00 20.00 H new ATOM 0 HB2 SER A 32 -17.988 -19.484 4.892 1.00 20.00 H new ATOM 0 HB3 SER A 32 -16.246 -19.664 4.938 1.00 20.00 H new ATOM 0 HG SER A 32 -17.787 -17.636 3.639 1.00 20.00 H new ATOM 636 N LEU A 33 -17.541 -22.556 2.459 1.00 20.00 N ATOM 637 CA LEU A 33 -17.960 -23.933 2.674 1.00 20.00 C ATOM 638 C LEU A 33 -16.780 -24.812 3.079 1.00 20.00 C ATOM 639 O LEU A 33 -16.951 -25.822 3.765 1.00 20.00 O ATOM 640 CB LEU A 33 -18.625 -24.481 1.407 1.00 20.00 C ATOM 641 CG LEU A 33 -19.176 -25.906 1.510 1.00 20.00 C ATOM 642 CD1 LEU A 33 -20.248 -26.001 2.588 1.00 20.00 C ATOM 643 CD2 LEU A 33 -19.730 -26.352 0.170 1.00 20.00 C ATOM 0 H LEU A 33 -17.286 -22.338 1.496 1.00 20.00 H new ATOM 0 HA LEU A 33 -18.682 -23.947 3.491 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -19.442 -23.814 1.130 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -17.899 -24.450 0.595 1.00 20.00 H new ATOM 0 HG LEU A 33 -18.357 -26.569 1.790 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -20.622 -27.023 2.640 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -19.821 -25.721 3.551 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -21.069 -25.326 2.345 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -20.119 -27.367 0.256 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -20.533 -25.680 -0.133 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -18.937 -26.330 -0.577 1.00 20.00 H new ATOM 655 N ALA A 34 -15.583 -24.428 2.665 1.00 20.00 N ATOM 656 CA ALA A 34 -14.389 -25.184 3.012 1.00 20.00 C ATOM 657 C ALA A 34 -13.713 -24.579 4.234 1.00 20.00 C ATOM 658 O ALA A 34 -12.550 -24.179 4.185 1.00 20.00 O ATOM 659 CB ALA A 34 -13.428 -25.236 1.833 1.00 20.00 C ATOM 0 H ALA A 34 -15.412 -23.602 2.091 1.00 20.00 H new ATOM 0 HA ALA A 34 -14.684 -26.205 3.255 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -12.541 -25.805 2.111 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -13.917 -25.717 0.986 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -13.137 -24.223 1.556 1.00 20.00 H new ATOM 665 N ASP A 35 -14.455 -24.506 5.328 1.00 20.00 N ATOM 666 CA ASP A 35 -13.949 -23.915 6.555 1.00 20.00 C ATOM 667 C ASP A 35 -13.760 -24.985 7.626 1.00 20.00 C ATOM 668 O ASP A 35 -14.518 -25.956 7.688 1.00 20.00 O ATOM 669 CB ASP A 35 -14.916 -22.840 7.068 1.00 20.00 C ATOM 670 CG ASP A 35 -16.148 -23.425 7.736 1.00 20.00 C ATOM 671 OD1 ASP A 35 -17.088 -23.825 7.021 1.00 20.00 O ATOM 672 OD2 ASP A 35 -16.176 -23.499 8.983 1.00 20.00 O ATOM 0 H ASP A 35 -15.413 -24.850 5.390 1.00 20.00 H new ATOM 0 HA ASP A 35 -12.985 -23.455 6.339 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -14.394 -22.198 7.778 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -15.225 -22.209 6.235 1.00 20.00 H new ATOM 677 N PRO A 36 -12.727 -24.838 8.464 1.00 20.00 N ATOM 678 CA PRO A 36 -12.507 -25.697 9.616 1.00 20.00 C ATOM 679 C PRO A 36 -13.068 -25.080 10.897 1.00 20.00 C ATOM 680 O PRO A 36 -12.533 -25.291 11.988 1.00 20.00 O ATOM 681 CB PRO A 36 -10.986 -25.759 9.674 1.00 20.00 C ATOM 682 CG PRO A 36 -10.530 -24.417 9.185 1.00 20.00 C ATOM 683 CD PRO A 36 -11.647 -23.846 8.335 1.00 20.00 C ATOM 0 HA PRO A 36 -12.996 -26.668 9.531 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -10.636 -25.950 10.688 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -10.598 -26.562 9.046 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -10.309 -23.757 10.024 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -9.613 -24.511 8.603 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -11.960 -22.865 8.692 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -11.338 -23.724 7.297 1.00 20.00 H new ATOM 691 N ARG A 37 -14.154 -24.319 10.741 1.00 20.00 N ATOM 692 CA ARG A 37 -14.753 -23.550 11.829 1.00 20.00 C ATOM 693 C ARG A 37 -13.772 -22.511 12.359 1.00 20.00 C ATOM 694 O ARG A 37 -13.096 -22.738 13.365 1.00 20.00 O ATOM 695 CB ARG A 37 -15.236 -24.457 12.966 1.00 20.00 C ATOM 696 CG ARG A 37 -16.468 -25.273 12.619 1.00 20.00 C ATOM 697 CD ARG A 37 -16.896 -26.149 13.782 1.00 20.00 C ATOM 698 NE ARG A 37 -15.879 -27.143 14.113 1.00 20.00 N ATOM 699 CZ ARG A 37 -15.598 -27.547 15.350 1.00 20.00 C ATOM 700 NH1 ARG A 37 -16.259 -27.051 16.390 1.00 20.00 N ATOM 701 NH2 ARG A 37 -14.653 -28.452 15.546 1.00 20.00 N ATOM 0 H ARG A 37 -14.643 -24.220 9.851 1.00 20.00 H new ATOM 0 HA ARG A 37 -15.624 -23.035 11.422 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -14.429 -25.135 13.245 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -15.453 -23.843 13.840 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -17.284 -24.604 12.345 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -16.261 -25.896 11.749 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -17.093 -25.525 14.654 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -17.830 -26.653 13.533 1.00 20.00 H new ATOM 0 HE ARG A 37 -15.349 -27.555 13.345 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -16.989 -26.354 16.245 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -16.036 -27.367 17.334 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -14.143 -28.837 14.751 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -14.434 -28.764 16.492 1.00 20.00 H new ATOM 715 N PRO A 38 -13.673 -21.359 11.674 1.00 20.00 N ATOM 716 CA PRO A 38 -12.785 -20.267 12.083 1.00 20.00 C ATOM 717 C PRO A 38 -13.233 -19.654 13.402 1.00 20.00 C ATOM 718 O PRO A 38 -12.422 -19.143 14.179 1.00 20.00 O ATOM 719 CB PRO A 38 -12.905 -19.241 10.944 1.00 20.00 C ATOM 720 CG PRO A 38 -13.558 -19.971 9.817 1.00 20.00 C ATOM 721 CD PRO A 38 -14.417 -21.025 10.451 1.00 20.00 C ATOM 0 HA PRO A 38 -11.762 -20.607 12.243 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -13.500 -18.381 11.252 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -11.925 -18.863 10.652 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -14.157 -19.294 9.208 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -12.814 -20.418 9.158 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -15.416 -20.652 10.675 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -14.539 -21.892 9.802 1.00 20.00 H new ATOM 729 N ALA A 39 -14.534 -19.724 13.654 1.00 20.00 N ATOM 730 CA ALA A 39 -15.096 -19.219 14.890 1.00 20.00 C ATOM 731 C ALA A 39 -15.022 -20.281 15.974 1.00 20.00 C ATOM 732 O ALA A 39 -15.992 -20.999 16.230 1.00 20.00 O ATOM 733 CB ALA A 39 -16.529 -18.761 14.681 1.00 20.00 C ATOM 0 H ALA A 39 -15.218 -20.128 13.014 1.00 20.00 H new ATOM 0 HA ALA A 39 -14.511 -18.357 15.210 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -16.932 -18.386 15.622 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -16.552 -17.968 13.934 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -17.133 -19.601 14.337 1.00 20.00 H new ATOM 739 N ILE A 40 -13.855 -20.392 16.584 1.00 20.00 N ATOM 740 CA ILE A 40 -13.646 -21.329 17.672 1.00 20.00 C ATOM 741 C ILE A 40 -14.200 -20.743 18.962 1.00 20.00 C ATOM 742 O ILE A 40 -13.707 -19.720 19.441 1.00 20.00 O ATOM 743 CB ILE A 40 -12.149 -21.652 17.859 1.00 20.00 C ATOM 744 CG1 ILE A 40 -11.545 -22.164 16.547 1.00 20.00 C ATOM 745 CG2 ILE A 40 -11.967 -22.677 18.970 1.00 20.00 C ATOM 746 CD1 ILE A 40 -10.061 -22.440 16.625 1.00 20.00 C ATOM 0 H ILE A 40 -13.032 -19.840 16.341 1.00 20.00 H new ATOM 0 HA ILE A 40 -14.166 -22.254 17.425 1.00 20.00 H new ATOM 0 HB ILE A 40 -11.626 -20.738 18.143 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -12.060 -23.079 16.253 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -11.728 -21.429 15.763 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -10.906 -22.897 19.092 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -12.365 -22.277 19.903 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -12.500 -23.592 18.711 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -9.706 -22.799 15.659 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -9.534 -21.523 16.887 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -9.871 -23.198 17.385 1.00 20.00 H new ATOM 758 N PRO A 41 -15.248 -21.361 19.529 1.00 20.00 N ATOM 759 CA PRO A 41 -15.865 -20.870 20.760 1.00 20.00 C ATOM 760 C PRO A 41 -14.866 -20.812 21.912 1.00 20.00 C ATOM 761 O PRO A 41 -14.329 -21.838 22.334 1.00 20.00 O ATOM 762 CB PRO A 41 -16.958 -21.903 21.063 1.00 20.00 C ATOM 763 CG PRO A 41 -17.210 -22.601 19.772 1.00 20.00 C ATOM 764 CD PRO A 41 -15.912 -22.568 19.015 1.00 20.00 C ATOM 0 HA PRO A 41 -16.246 -19.855 20.645 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -16.634 -22.604 21.832 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -17.863 -21.421 21.432 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -17.535 -23.627 19.942 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -18.001 -22.105 19.210 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -15.317 -23.463 19.198 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -16.076 -22.509 17.939 1.00 20.00 H new ATOM 772 N HIS A 42 -14.615 -19.614 22.420 1.00 20.00 N ATOM 773 CA HIS A 42 -13.721 -19.458 23.555 1.00 20.00 C ATOM 774 C HIS A 42 -14.518 -19.501 24.853 1.00 20.00 C ATOM 775 O HIS A 42 -13.962 -19.390 25.944 1.00 20.00 O ATOM 776 CB HIS A 42 -12.883 -18.168 23.449 1.00 20.00 C ATOM 777 CG HIS A 42 -13.607 -16.891 23.774 1.00 20.00 C ATOM 778 ND1 HIS A 42 -13.128 -15.977 24.687 1.00 20.00 N ATOM 779 CD2 HIS A 42 -14.756 -16.361 23.287 1.00 20.00 C ATOM 780 CE1 HIS A 42 -13.949 -14.947 24.750 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.944 -15.153 23.911 1.00 20.00 N ATOM 0 H HIS A 42 -15.014 -18.744 22.067 1.00 20.00 H new ATOM 0 HA HIS A 42 -13.016 -20.289 23.553 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -12.026 -18.258 24.116 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -12.491 -18.094 22.435 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -15.403 -16.807 22.546 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -13.827 -14.080 25.383 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -15.726 -14.518 23.751 1.00 20.00 H new ATOM 790 N ASP A 43 -15.834 -19.664 24.716 1.00 20.00 N ATOM 791 CA ASP A 43 -16.721 -19.802 25.870 1.00 20.00 C ATOM 792 C ASP A 43 -16.320 -21.010 26.701 1.00 20.00 C ATOM 793 O ASP A 43 -16.387 -20.979 27.926 1.00 20.00 O ATOM 794 CB ASP A 43 -18.183 -19.936 25.428 1.00 20.00 C ATOM 795 CG ASP A 43 -19.137 -20.098 26.599 1.00 20.00 C ATOM 796 OD1 ASP A 43 -19.515 -19.075 27.210 1.00 20.00 O ATOM 797 OD2 ASP A 43 -19.522 -21.244 26.910 1.00 20.00 O ATOM 0 H ASP A 43 -16.310 -19.704 23.815 1.00 20.00 H new ATOM 0 HA ASP A 43 -16.626 -18.902 26.477 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -18.467 -19.055 24.853 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -18.280 -20.795 24.764 1.00 20.00 H new ATOM 802 N GLU A 44 -15.873 -22.064 26.019 1.00 20.00 N ATOM 803 CA GLU A 44 -15.397 -23.274 26.682 1.00 20.00 C ATOM 804 C GLU A 44 -14.266 -22.933 27.642 1.00 20.00 C ATOM 805 O GLU A 44 -14.192 -23.447 28.759 1.00 20.00 O ATOM 806 CB GLU A 44 -14.886 -24.282 25.649 1.00 20.00 C ATOM 807 CG GLU A 44 -15.857 -24.560 24.515 1.00 20.00 C ATOM 808 CD GLU A 44 -17.202 -25.045 25.003 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.254 -26.087 25.687 1.00 20.00 O ATOM 810 OE2 GLU A 44 -18.216 -24.391 24.698 1.00 20.00 O ATOM 0 H GLU A 44 -15.831 -22.102 25.001 1.00 20.00 H new ATOM 0 HA GLU A 44 -16.229 -23.711 27.234 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.951 -23.912 25.229 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -14.659 -25.220 26.155 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -15.994 -23.651 23.929 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -15.426 -25.307 23.849 1.00 20.00 H new ATOM 817 N VAL A 45 -13.396 -22.044 27.190 1.00 20.00 N ATOM 818 CA VAL A 45 -12.245 -21.621 27.964 1.00 20.00 C ATOM 819 C VAL A 45 -12.677 -20.739 29.129 1.00 20.00 C ATOM 820 O VAL A 45 -12.407 -21.050 30.289 1.00 20.00 O ATOM 821 CB VAL A 45 -11.242 -20.859 27.076 1.00 20.00 C ATOM 822 CG1 VAL A 45 -10.035 -20.402 27.877 1.00 20.00 C ATOM 823 CG2 VAL A 45 -10.818 -21.723 25.902 1.00 20.00 C ATOM 0 H VAL A 45 -13.470 -21.597 26.276 1.00 20.00 H new ATOM 0 HA VAL A 45 -11.758 -22.513 28.358 1.00 20.00 H new ATOM 0 HB VAL A 45 -11.737 -19.968 26.690 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -9.346 -19.868 27.223 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -10.360 -19.740 28.680 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -9.532 -21.270 28.304 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -10.110 -21.173 25.283 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -10.346 -22.633 26.272 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -11.693 -21.984 25.307 1.00 20.00 H new ATOM 833 N GLU A 46 -13.383 -19.661 28.810 1.00 20.00 N ATOM 834 CA GLU A 46 -13.830 -18.697 29.815 1.00 20.00 C ATOM 835 C GLU A 46 -14.666 -19.369 30.899 1.00 20.00 C ATOM 836 O GLU A 46 -14.602 -18.987 32.068 1.00 20.00 O ATOM 837 CB GLU A 46 -14.647 -17.583 29.161 1.00 20.00 C ATOM 838 CG GLU A 46 -13.896 -16.826 28.080 1.00 20.00 C ATOM 839 CD GLU A 46 -12.703 -16.073 28.626 1.00 20.00 C ATOM 840 OE1 GLU A 46 -12.907 -15.054 29.317 1.00 20.00 O ATOM 841 OE2 GLU A 46 -11.554 -16.492 28.369 1.00 20.00 O ATOM 0 H GLU A 46 -13.661 -19.429 27.856 1.00 20.00 H new ATOM 0 HA GLU A 46 -12.940 -18.272 30.278 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -15.551 -18.013 28.729 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -14.965 -16.879 29.930 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -13.561 -17.527 27.315 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -14.574 -16.124 27.594 1.00 20.00 H new ATOM 848 N ARG A 47 -15.445 -20.365 30.500 1.00 20.00 N ATOM 849 CA ARG A 47 -16.321 -21.078 31.421 1.00 20.00 C ATOM 850 C ARG A 47 -15.523 -21.802 32.500 1.00 20.00 C ATOM 851 O ARG A 47 -15.789 -21.641 33.692 1.00 20.00 O ATOM 852 CB ARG A 47 -17.183 -22.082 30.652 1.00 20.00 C ATOM 853 CG ARG A 47 -18.219 -22.788 31.507 1.00 20.00 C ATOM 854 CD ARG A 47 -19.083 -23.720 30.672 1.00 20.00 C ATOM 855 NE ARG A 47 -19.745 -23.017 29.572 1.00 20.00 N ATOM 856 CZ ARG A 47 -21.036 -23.154 29.264 1.00 20.00 C ATOM 857 NH1 ARG A 47 -21.823 -23.940 29.991 1.00 20.00 N ATOM 858 NH2 ARG A 47 -21.538 -22.492 28.231 1.00 20.00 N ATOM 0 H ARG A 47 -15.488 -20.700 29.537 1.00 20.00 H new ATOM 0 HA ARG A 47 -16.963 -20.344 31.909 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -17.691 -21.562 29.839 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.533 -22.829 30.196 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -17.720 -23.357 32.291 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -18.850 -22.049 32.001 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -18.465 -24.523 30.269 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -19.835 -24.185 31.309 1.00 20.00 H new ATOM 0 HE ARG A 47 -19.184 -22.382 29.005 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -21.441 -24.444 30.791 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -22.809 -24.039 29.749 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -20.938 -21.882 27.676 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -22.524 -22.593 27.991 1.00 20.00 H new ATOM 872 N ARG A 48 -14.534 -22.584 32.080 1.00 20.00 N ATOM 873 CA ARG A 48 -13.770 -23.400 33.017 1.00 20.00 C ATOM 874 C ARG A 48 -12.756 -22.559 33.777 1.00 20.00 C ATOM 875 O ARG A 48 -12.514 -22.788 34.963 1.00 20.00 O ATOM 876 CB ARG A 48 -13.071 -24.554 32.297 1.00 20.00 C ATOM 877 CG ARG A 48 -14.032 -25.581 31.715 1.00 20.00 C ATOM 878 CD ARG A 48 -13.295 -26.819 31.232 1.00 20.00 C ATOM 879 NE ARG A 48 -12.598 -27.502 32.321 1.00 20.00 N ATOM 880 CZ ARG A 48 -11.684 -28.453 32.141 1.00 20.00 C ATOM 881 NH1 ARG A 48 -11.358 -28.844 30.913 1.00 20.00 N ATOM 882 NH2 ARG A 48 -11.099 -29.019 33.190 1.00 20.00 N ATOM 0 H ARG A 48 -14.244 -22.670 31.106 1.00 20.00 H new ATOM 0 HA ARG A 48 -14.473 -23.819 33.736 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -12.454 -24.150 31.494 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -12.399 -25.053 32.995 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -14.766 -25.864 32.470 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -14.583 -25.137 30.886 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -14.004 -27.505 30.769 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -12.576 -26.536 30.463 1.00 20.00 H new ATOM 0 HE ARG A 48 -12.826 -27.233 33.278 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -11.809 -28.415 30.105 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -10.657 -29.573 30.779 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -11.350 -28.725 34.134 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -10.399 -29.748 33.052 1.00 20.00 H new ATOM 896 N MET A 49 -12.170 -21.580 33.100 1.00 20.00 N ATOM 897 CA MET A 49 -11.242 -20.662 33.748 1.00 20.00 C ATOM 898 C MET A 49 -11.940 -19.894 34.861 1.00 20.00 C ATOM 899 O MET A 49 -11.366 -19.677 35.926 1.00 20.00 O ATOM 900 CB MET A 49 -10.632 -19.690 32.736 1.00 20.00 C ATOM 901 CG MET A 49 -9.357 -20.202 32.083 1.00 20.00 C ATOM 902 SD MET A 49 -9.548 -21.838 31.345 1.00 20.00 S ATOM 903 CE MET A 49 -7.922 -22.079 30.633 1.00 20.00 C ATOM 0 H MET A 49 -12.320 -21.401 32.107 1.00 20.00 H new ATOM 0 HA MET A 49 -10.435 -21.253 34.182 1.00 20.00 H new ATOM 0 HB2 MET A 49 -11.368 -19.480 31.959 1.00 20.00 H new ATOM 0 HB3 MET A 49 -10.419 -18.746 33.237 1.00 20.00 H new ATOM 0 HG2 MET A 49 -9.042 -19.497 31.314 1.00 20.00 H new ATOM 0 HG3 MET A 49 -8.563 -20.237 32.828 1.00 20.00 H new ATOM 0 HE1 MET A 49 -7.881 -23.050 30.139 1.00 20.00 H new ATOM 0 HE2 MET A 49 -7.723 -21.293 29.905 1.00 20.00 H new ATOM 0 HE3 MET A 49 -7.170 -22.041 31.421 1.00 20.00 H new ATOM 913 N ALA A 50 -13.189 -19.505 34.615 1.00 20.00 N ATOM 914 CA ALA A 50 -13.986 -18.810 35.619 1.00 20.00 C ATOM 915 C ALA A 50 -14.163 -19.669 36.863 1.00 20.00 C ATOM 916 O ALA A 50 -14.134 -19.166 37.986 1.00 20.00 O ATOM 917 CB ALA A 50 -15.338 -18.424 35.047 1.00 20.00 C ATOM 0 H ALA A 50 -13.670 -19.660 33.729 1.00 20.00 H new ATOM 0 HA ALA A 50 -13.455 -17.902 35.905 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -15.921 -17.906 35.809 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -15.196 -17.766 34.189 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -15.869 -19.322 34.732 1.00 20.00 H new ATOM 923 N GLU A 51 -14.324 -20.972 36.651 1.00 20.00 N ATOM 924 CA GLU A 51 -14.478 -21.918 37.748 1.00 20.00 C ATOM 925 C GLU A 51 -13.201 -21.971 38.577 1.00 20.00 C ATOM 926 O GLU A 51 -13.241 -22.112 39.801 1.00 20.00 O ATOM 927 CB GLU A 51 -14.809 -23.315 37.214 1.00 20.00 C ATOM 928 CG GLU A 51 -16.075 -23.376 36.372 1.00 20.00 C ATOM 929 CD GLU A 51 -16.412 -24.786 35.936 1.00 20.00 C ATOM 930 OE1 GLU A 51 -15.860 -25.248 34.919 1.00 20.00 O ATOM 931 OE2 GLU A 51 -17.232 -25.446 36.613 1.00 20.00 O ATOM 0 H GLU A 51 -14.351 -21.397 35.724 1.00 20.00 H new ATOM 0 HA GLU A 51 -15.301 -21.582 38.378 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -13.970 -23.671 36.616 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -14.913 -23.999 38.056 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -16.908 -22.967 36.944 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -15.953 -22.746 35.491 1.00 20.00 H new ATOM 938 N ARG A 52 -12.070 -21.838 37.896 1.00 20.00 N ATOM 939 CA ARG A 52 -10.771 -21.846 38.551 1.00 20.00 C ATOM 940 C ARG A 52 -10.545 -20.550 39.321 1.00 20.00 C ATOM 941 O ARG A 52 -10.094 -20.570 40.466 1.00 20.00 O ATOM 942 CB ARG A 52 -9.647 -22.050 37.527 1.00 20.00 C ATOM 943 CG ARG A 52 -9.631 -23.430 36.885 1.00 20.00 C ATOM 944 CD ARG A 52 -9.453 -24.528 37.926 1.00 20.00 C ATOM 945 NE ARG A 52 -8.264 -24.311 38.751 1.00 20.00 N ATOM 946 CZ ARG A 52 -7.958 -25.033 39.828 1.00 20.00 C ATOM 947 NH1 ARG A 52 -8.735 -26.042 40.201 1.00 20.00 N ATOM 948 NH2 ARG A 52 -6.872 -24.742 40.532 1.00 20.00 N ATOM 0 H ARG A 52 -12.028 -21.723 36.883 1.00 20.00 H new ATOM 0 HA ARG A 52 -10.757 -22.677 39.256 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -9.744 -21.298 36.744 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -8.689 -21.878 38.017 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -10.562 -23.590 36.341 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -8.823 -23.484 36.156 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -10.335 -24.569 38.565 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -9.376 -25.493 37.426 1.00 20.00 H new ATOM 0 HE ARG A 52 -7.629 -23.559 38.484 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -9.571 -26.268 39.662 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -8.496 -26.592 41.026 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -6.273 -23.967 40.248 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -6.636 -25.294 41.357 1.00 20.00 H new ATOM 962 N PHE A 53 -10.867 -19.423 38.693 1.00 20.00 N ATOM 963 CA PHE A 53 -10.717 -18.126 39.339 1.00 20.00 C ATOM 964 C PHE A 53 -11.636 -18.016 40.548 1.00 20.00 C ATOM 965 O PHE A 53 -11.246 -17.488 41.587 1.00 20.00 O ATOM 966 CB PHE A 53 -10.999 -16.985 38.357 1.00 20.00 C ATOM 967 CG PHE A 53 -9.962 -16.843 37.275 1.00 20.00 C ATOM 968 CD1 PHE A 53 -8.614 -16.751 37.594 1.00 20.00 C ATOM 969 CD2 PHE A 53 -10.334 -16.796 35.940 1.00 20.00 C ATOM 970 CE1 PHE A 53 -7.661 -16.617 36.602 1.00 20.00 C ATOM 971 CE2 PHE A 53 -9.384 -16.663 34.946 1.00 20.00 C ATOM 972 CZ PHE A 53 -8.047 -16.573 35.277 1.00 20.00 C ATOM 0 H PHE A 53 -11.232 -19.383 37.741 1.00 20.00 H new ATOM 0 HA PHE A 53 -9.684 -18.041 39.676 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -11.973 -17.148 37.895 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -11.063 -16.049 38.911 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -8.307 -16.785 38.629 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -11.379 -16.864 35.674 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -6.615 -16.547 36.863 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -9.687 -16.629 33.910 1.00 20.00 H new ATOM 0 HZ PHE A 53 -7.304 -16.468 34.501 1.00 20.00 H new ATOM 982 N ALA A 54 -12.846 -18.537 40.419 1.00 20.00 N ATOM 983 CA ALA A 54 -13.807 -18.514 41.515 1.00 20.00 C ATOM 984 C ALA A 54 -13.303 -19.327 42.703 1.00 20.00 C ATOM 985 O ALA A 54 -13.705 -19.098 43.843 1.00 20.00 O ATOM 986 CB ALA A 54 -15.151 -19.044 41.048 1.00 20.00 C ATOM 0 H ALA A 54 -13.188 -18.981 39.567 1.00 20.00 H new ATOM 0 HA ALA A 54 -13.927 -17.480 41.838 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -15.859 -19.021 41.877 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -15.524 -18.422 40.234 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -15.036 -20.070 40.697 1.00 20.00 H new ATOM 992 N LYS A 55 -12.418 -20.274 42.424 1.00 20.00 N ATOM 993 CA LYS A 55 -11.862 -21.129 43.457 1.00 20.00 C ATOM 994 C LYS A 55 -10.588 -20.525 44.046 1.00 20.00 C ATOM 995 O LYS A 55 -10.475 -20.364 45.261 1.00 20.00 O ATOM 996 CB LYS A 55 -11.568 -22.520 42.888 1.00 20.00 C ATOM 997 CG LYS A 55 -11.045 -23.506 43.920 1.00 20.00 C ATOM 998 CD LYS A 55 -10.700 -24.838 43.287 1.00 20.00 C ATOM 999 CE LYS A 55 -10.291 -25.861 44.334 1.00 20.00 C ATOM 1000 NZ LYS A 55 -11.400 -26.163 45.277 1.00 20.00 N ATOM 0 H LYS A 55 -12.070 -20.468 41.485 1.00 20.00 H new ATOM 0 HA LYS A 55 -12.598 -21.216 44.256 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -12.479 -22.921 42.445 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -10.837 -22.427 42.085 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -10.161 -23.092 44.405 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -11.795 -23.654 44.697 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -11.559 -25.210 42.729 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -9.889 -24.703 42.572 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -9.974 -26.780 43.840 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -9.432 -25.487 44.891 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -11.187 -27.040 45.794 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -11.505 -25.379 45.952 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -12.286 -26.282 44.745 1.00 20.00 H new ATOM 1014 N MET A 56 -9.642 -20.179 43.180 1.00 20.00 N ATOM 1015 CA MET A 56 -8.325 -19.721 43.621 1.00 20.00 C ATOM 1016 C MET A 56 -8.354 -18.257 44.054 1.00 20.00 C ATOM 1017 O MET A 56 -7.819 -17.899 45.106 1.00 20.00 O ATOM 1018 CB MET A 56 -7.292 -19.926 42.507 1.00 20.00 C ATOM 1019 CG MET A 56 -5.872 -19.551 42.907 1.00 20.00 C ATOM 1020 SD MET A 56 -4.692 -19.765 41.560 1.00 20.00 S ATOM 1021 CE MET A 56 -5.291 -18.551 40.385 1.00 20.00 C ATOM 0 H MET A 56 -9.761 -20.206 42.167 1.00 20.00 H new ATOM 0 HA MET A 56 -8.039 -20.317 44.488 1.00 20.00 H new ATOM 0 HB2 MET A 56 -7.308 -20.971 42.198 1.00 20.00 H new ATOM 0 HB3 MET A 56 -7.584 -19.333 41.640 1.00 20.00 H new ATOM 0 HG2 MET A 56 -5.854 -18.513 43.239 1.00 20.00 H new ATOM 0 HG3 MET A 56 -5.564 -20.162 43.755 1.00 20.00 H new ATOM 0 HE1 MET A 56 -4.498 -18.305 39.679 1.00 20.00 H new ATOM 0 HE2 MET A 56 -6.145 -18.959 39.844 1.00 20.00 H new ATOM 0 HE3 MET A 56 -5.596 -17.649 40.917 1.00 20.00 H new ATOM 1031 N ARG A 57 -8.980 -17.412 43.246 1.00 20.00 N ATOM 1032 CA ARG A 57 -9.086 -15.993 43.564 1.00 20.00 C ATOM 1033 C ARG A 57 -10.074 -15.816 44.706 1.00 20.00 C ATOM 1034 O ARG A 57 -9.804 -15.096 45.668 1.00 20.00 O ATOM 1035 CB ARG A 57 -9.540 -15.201 42.334 1.00 20.00 C ATOM 1036 CG ARG A 57 -9.468 -13.693 42.504 1.00 20.00 C ATOM 1037 CD ARG A 57 -9.914 -12.973 41.241 1.00 20.00 C ATOM 1038 NE ARG A 57 -9.706 -11.529 41.328 1.00 20.00 N ATOM 1039 CZ ARG A 57 -10.112 -10.659 40.403 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -10.788 -11.077 39.340 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -9.850 -9.369 40.548 1.00 20.00 N ATOM 0 H ARG A 57 -9.421 -17.683 42.367 1.00 20.00 H new ATOM 0 HA ARG A 57 -8.110 -15.613 43.866 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -8.924 -15.489 41.482 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -10.566 -15.480 42.094 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -10.097 -13.389 43.340 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -8.447 -13.401 42.751 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -9.364 -13.367 40.386 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -10.970 -13.176 41.062 1.00 20.00 H new ATOM 0 HE ARG A 57 -9.220 -11.164 42.147 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -10.999 -12.068 39.228 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -11.096 -10.407 38.636 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -9.338 -9.042 41.367 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -10.160 -8.703 39.841 1.00 20.00 H new ATOM 1055 N LYS A 58 -11.205 -16.509 44.593 1.00 20.00 N ATOM 1056 CA LYS A 58 -12.218 -16.548 45.644 1.00 20.00 C ATOM 1057 C LYS A 58 -12.669 -15.140 46.030 1.00 20.00 C ATOM 1058 O LYS A 58 -12.334 -14.633 47.106 1.00 20.00 O ATOM 1059 CB LYS A 58 -11.682 -17.298 46.872 1.00 20.00 C ATOM 1060 CG LYS A 58 -12.746 -17.607 47.920 1.00 20.00 C ATOM 1061 CD LYS A 58 -13.762 -18.622 47.416 1.00 20.00 C ATOM 1062 CE LYS A 58 -13.131 -19.990 47.188 1.00 20.00 C ATOM 1063 NZ LYS A 58 -12.580 -20.566 48.445 1.00 20.00 N ATOM 0 H LYS A 58 -11.445 -17.060 43.769 1.00 20.00 H new ATOM 0 HA LYS A 58 -13.086 -17.082 45.258 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -11.226 -18.232 46.545 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -10.894 -16.703 47.333 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -12.267 -17.990 48.821 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -13.260 -16.687 48.198 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -14.574 -18.712 48.137 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -14.201 -18.265 46.485 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -13.877 -20.669 46.774 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -12.334 -19.903 46.449 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -12.393 -21.580 48.310 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -11.693 -20.081 48.690 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -13.268 -20.440 49.215 1.00 20.00 H new ATOM 1077 N GLU A 59 -13.414 -14.508 45.137 1.00 20.00 N ATOM 1078 CA GLU A 59 -13.969 -13.190 45.403 1.00 20.00 C ATOM 1079 C GLU A 59 -15.314 -13.325 46.091 1.00 20.00 C ATOM 1080 O GLU A 59 -15.659 -12.554 46.987 1.00 20.00 O ATOM 1081 CB GLU A 59 -14.168 -12.403 44.107 1.00 20.00 C ATOM 1082 CG GLU A 59 -12.892 -12.042 43.375 1.00 20.00 C ATOM 1083 CD GLU A 59 -13.174 -11.177 42.165 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -13.271 -9.940 42.324 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -13.332 -11.730 41.057 1.00 20.00 O ATOM 0 H GLU A 59 -13.649 -14.887 44.220 1.00 20.00 H new ATOM 0 HA GLU A 59 -13.265 -12.657 46.042 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -14.800 -12.987 43.438 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -14.710 -11.485 44.336 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -12.219 -11.515 44.052 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -12.381 -12.952 43.062 1.00 20.00 H new ATOM 1092 N ARG A 60 -16.062 -14.327 45.665 1.00 20.00 N ATOM 1093 CA ARG A 60 -17.446 -14.486 46.063 1.00 20.00 C ATOM 1094 C ARG A 60 -17.718 -15.914 46.514 1.00 20.00 C ATOM 1095 O ARG A 60 -18.072 -16.772 45.704 1.00 20.00 O ATOM 1096 CB ARG A 60 -18.353 -14.135 44.882 1.00 20.00 C ATOM 1097 CG ARG A 60 -18.163 -12.717 44.370 1.00 20.00 C ATOM 1098 CD ARG A 60 -18.968 -12.468 43.107 1.00 20.00 C ATOM 1099 NE ARG A 60 -18.599 -13.385 42.029 1.00 20.00 N ATOM 1100 CZ ARG A 60 -19.186 -13.400 40.835 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -20.136 -12.518 40.548 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -18.818 -14.292 39.924 1.00 20.00 N ATOM 0 H ARG A 60 -15.725 -15.053 45.033 1.00 20.00 H new ATOM 0 HA ARG A 60 -17.651 -13.818 46.900 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -18.163 -14.835 44.068 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -19.393 -14.268 45.181 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -18.465 -12.008 45.141 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -17.106 -12.540 44.170 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -20.030 -12.577 43.327 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -18.815 -11.441 42.777 1.00 20.00 H new ATOM 0 HE ARG A 60 -17.847 -14.052 42.203 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -20.417 -11.827 41.243 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -20.585 -12.531 39.632 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -18.084 -14.967 40.139 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -19.269 -14.302 39.009 1.00 20.00 H new ATOM 1116 N SER A 61 -17.537 -16.168 47.799 1.00 20.00 N ATOM 1117 CA SER A 61 -17.817 -17.482 48.360 1.00 20.00 C ATOM 1118 C SER A 61 -19.323 -17.716 48.461 1.00 20.00 C ATOM 1119 O SER A 61 -19.826 -18.769 48.067 1.00 20.00 O ATOM 1120 CB SER A 61 -17.152 -17.616 49.732 1.00 20.00 C ATOM 1121 OG SER A 61 -17.372 -16.452 50.513 1.00 20.00 O ATOM 0 H SER A 61 -17.198 -15.483 48.474 1.00 20.00 H new ATOM 0 HA SER A 61 -17.404 -18.242 47.697 1.00 20.00 H new ATOM 0 HB2 SER A 61 -17.550 -18.488 50.251 1.00 20.00 H new ATOM 0 HB3 SER A 61 -16.081 -17.780 49.608 1.00 20.00 H new ATOM 0 HG SER A 61 -16.941 -16.558 51.387 1.00 20.00 H new ATOM 1127 N LYS A 62 -20.041 -16.724 48.982 1.00 20.00 N ATOM 1128 CA LYS A 62 -21.495 -16.801 49.099 1.00 20.00 C ATOM 1129 C LYS A 62 -22.139 -15.505 48.619 1.00 20.00 C ATOM 1130 O LYS A 62 -23.171 -15.080 49.136 1.00 20.00 O ATOM 1131 CB LYS A 62 -21.917 -17.079 50.548 1.00 20.00 C ATOM 1132 CG LYS A 62 -21.495 -18.444 51.076 1.00 20.00 C ATOM 1133 CD LYS A 62 -22.146 -19.576 50.293 1.00 20.00 C ATOM 1134 CE LYS A 62 -21.806 -20.936 50.885 1.00 20.00 C ATOM 1135 NZ LYS A 62 -22.379 -21.111 52.246 1.00 20.00 N ATOM 0 H LYS A 62 -19.638 -15.854 49.331 1.00 20.00 H new ATOM 0 HA LYS A 62 -21.835 -17.625 48.472 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -21.494 -16.308 51.191 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -23.001 -16.994 50.620 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -20.411 -18.538 51.017 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -21.766 -18.527 52.129 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -23.228 -19.441 50.289 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -21.816 -19.538 49.255 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -22.183 -21.721 50.229 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -20.723 -21.051 50.930 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -22.333 -22.114 52.516 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -21.835 -20.544 52.927 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -23.371 -20.797 52.248 1.00 20.00 H new ATOM 1149 N GLN A 63 -21.517 -14.878 47.635 1.00 20.00 N ATOM 1150 CA GLN A 63 -22.019 -13.621 47.100 1.00 20.00 C ATOM 1151 C GLN A 63 -22.665 -13.854 45.741 1.00 20.00 C ATOM 1152 O GLN A 63 -23.890 -14.095 45.695 1.00 20.00 O ATOM 1153 CB GLN A 63 -20.889 -12.596 46.978 1.00 20.00 C ATOM 1154 CG GLN A 63 -20.144 -12.344 48.278 1.00 20.00 C ATOM 1155 CD GLN A 63 -18.921 -11.466 48.090 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -17.939 -11.586 48.820 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -18.966 -10.580 47.107 1.00 20.00 N ATOM 1158 OXT GLN A 63 -21.944 -13.823 44.724 1.00 20.00 O ATOM 0 H GLN A 63 -20.664 -15.217 47.190 1.00 20.00 H new ATOM 0 HA GLN A 63 -22.768 -13.227 47.787 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -20.180 -12.939 46.225 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -21.303 -11.654 46.619 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -20.818 -11.873 48.993 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -19.839 -13.298 48.708 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -19.798 -10.509 46.522 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -18.168 -9.968 46.935 1.00 20.00 H new TER 1167 GLN A 63