USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.426 K(o=0.86,f=-0.048) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.43 K(o=0.86,f=-0.041) USER MOD Set 2.1: A 55 THR OG1 : rot -29:sc= 1.27 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 ASN : amide:sc= 0.621 K(o=1.3,f=-5.6!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 158:sc= 0.712 (180deg=0) USER MOD Set 4.1: A 7 THR OG1 : rot -81:sc= 1.39 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.2 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.306 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0691 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.25) USER MOD Single : A 31 GLN : amide:sc= -0.968 K(o=-0.97,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.00258 (180deg=-0.0891) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= 0.94 K(o=0.94,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.194 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0615 X(o=-0.062,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.600 51.915 20.339 1.00 0.00 N ATOM 2 CA MET A 1 32.954 52.105 21.754 1.00 0.00 C ATOM 3 C MET A 1 34.424 52.506 21.887 1.00 0.00 C ATOM 4 O MET A 1 35.286 51.964 21.198 1.00 0.00 O ATOM 5 CB MET A 1 32.617 50.891 22.615 1.00 0.00 C ATOM 6 CG MET A 1 33.476 49.658 22.350 1.00 0.00 C ATOM 7 SD MET A 1 33.068 48.246 23.408 1.00 0.00 S ATOM 8 CE MET A 1 34.462 47.163 23.006 1.00 0.00 C ATOM 0 H1 MET A 1 31.591 51.676 20.263 1.00 0.00 H new ATOM 0 H2 MET A 1 32.789 52.792 19.813 1.00 0.00 H new ATOM 0 H3 MET A 1 33.170 51.142 19.939 1.00 0.00 H new ATOM 0 HA MET A 1 32.339 52.920 22.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.719 51.168 23.664 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.571 50.629 22.455 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.362 49.364 21.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.524 49.918 22.495 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.377 46.235 23.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.454 46.940 21.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.396 47.661 23.265 1.00 0.00 H new ATOM 20 N GLN A 2 34.714 53.425 22.803 1.00 0.00 N ATOM 21 CA GLN A 2 36.069 53.799 23.157 1.00 0.00 C ATOM 22 C GLN A 2 36.684 52.752 24.088 1.00 0.00 C ATOM 23 O GLN A 2 36.007 52.247 24.980 1.00 0.00 O ATOM 24 CB GLN A 2 36.019 55.193 23.774 1.00 0.00 C ATOM 25 CG GLN A 2 37.378 55.786 24.131 1.00 0.00 C ATOM 26 CD GLN A 2 37.259 57.298 24.334 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.504 58.095 23.431 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.781 57.780 25.478 1.00 0.00 N ATOM 0 H GLN A 2 34.001 53.935 23.324 1.00 0.00 H new ATOM 0 HA GLN A 2 36.715 53.831 22.279 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.517 55.865 23.078 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.408 55.154 24.676 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.759 55.319 25.039 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.095 55.574 23.338 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.567 57.147 26.248 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.629 58.783 25.585 1.00 0.00 H new ATOM 37 N ILE A 3 37.972 52.463 23.925 1.00 0.00 N ATOM 38 CA ILE A 3 38.798 51.731 24.864 1.00 0.00 C ATOM 39 C ILE A 3 40.123 52.465 25.074 1.00 0.00 C ATOM 40 O ILE A 3 40.502 53.318 24.274 1.00 0.00 O ATOM 41 CB ILE A 3 39.028 50.284 24.432 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.722 50.166 23.078 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.722 49.496 24.467 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.278 48.775 22.788 1.00 0.00 C ATOM 0 H ILE A 3 38.487 52.749 23.093 1.00 0.00 H new ATOM 0 HA ILE A 3 38.263 51.686 25.813 1.00 0.00 H new ATOM 0 HB ILE A 3 39.715 49.844 25.155 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.015 50.435 22.293 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.537 50.889 23.034 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.909 48.468 24.156 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.321 49.501 25.481 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.002 49.955 23.790 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.756 48.771 21.808 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.011 48.510 23.550 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.465 48.049 22.798 1.00 0.00 H new ATOM 56 N PHE A 4 40.854 52.097 26.122 1.00 0.00 N ATOM 57 CA PHE A 4 42.186 52.597 26.400 1.00 0.00 C ATOM 58 C PHE A 4 43.194 51.450 26.494 1.00 0.00 C ATOM 59 O PHE A 4 42.865 50.371 26.981 1.00 0.00 O ATOM 60 CB PHE A 4 42.167 53.406 27.694 1.00 0.00 C ATOM 61 CG PHE A 4 41.118 54.491 27.755 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.236 55.632 26.951 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.027 54.375 28.625 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.282 56.653 27.023 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.080 55.401 28.711 1.00 0.00 C ATOM 66 CZ PHE A 4 39.201 56.542 27.907 1.00 0.00 C ATOM 0 H PHE A 4 40.523 51.426 26.815 1.00 0.00 H new ATOM 0 HA PHE A 4 42.498 53.243 25.579 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.010 52.723 28.529 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.147 53.861 27.834 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.070 55.724 26.270 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.916 53.489 29.233 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.379 57.527 26.397 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.253 55.313 29.400 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.466 57.331 27.968 1.00 0.00 H new ATOM 76 N VAL A 5 44.433 51.680 26.068 1.00 0.00 N ATOM 77 CA VAL A 5 45.543 50.765 26.245 1.00 0.00 C ATOM 78 C VAL A 5 46.692 51.494 26.943 1.00 0.00 C ATOM 79 O VAL A 5 47.079 52.574 26.504 1.00 0.00 O ATOM 80 CB VAL A 5 46.000 50.146 24.926 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.969 48.995 25.179 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.845 49.602 24.092 1.00 0.00 C ATOM 0 H VAL A 5 44.694 52.535 25.576 1.00 0.00 H new ATOM 0 HA VAL A 5 45.207 49.937 26.869 1.00 0.00 H new ATOM 0 HB VAL A 5 46.482 50.953 24.374 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.283 48.568 24.227 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.842 49.366 25.716 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.475 48.228 25.776 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.233 49.175 23.167 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.321 48.830 24.656 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.154 50.411 23.856 1.00 0.00 H new ATOM 92 N LYS A 6 47.234 50.906 28.007 1.00 0.00 N ATOM 93 CA LYS A 6 48.314 51.440 28.812 1.00 0.00 C ATOM 94 C LYS A 6 49.615 50.649 28.665 1.00 0.00 C ATOM 95 O LYS A 6 49.582 49.459 28.360 1.00 0.00 O ATOM 96 CB LYS A 6 47.881 51.543 30.273 1.00 0.00 C ATOM 97 CG LYS A 6 46.841 52.641 30.469 1.00 0.00 C ATOM 98 CD LYS A 6 46.532 52.933 31.934 1.00 0.00 C ATOM 99 CE LYS A 6 47.688 53.619 32.656 1.00 0.00 C ATOM 100 NZ LYS A 6 47.320 53.983 34.033 1.00 0.00 N ATOM 0 H LYS A 6 46.911 49.999 28.342 1.00 0.00 H new ATOM 0 HA LYS A 6 48.532 52.441 28.439 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.470 50.588 30.600 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.750 51.747 30.898 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.195 53.555 29.992 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.920 52.353 29.962 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.646 53.564 31.995 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.294 51.999 32.444 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.553 52.957 32.672 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.982 54.514 32.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.127 54.447 34.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.509 54.634 34.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.063 53.125 34.562 1.00 0.00 H new ATOM 114 N THR A 7 50.749 51.308 28.885 1.00 0.00 N ATOM 115 CA THR A 7 52.073 50.723 28.801 1.00 0.00 C ATOM 116 C THR A 7 52.986 51.171 29.945 1.00 0.00 C ATOM 117 O THR A 7 52.939 52.313 30.396 1.00 0.00 O ATOM 118 CB THR A 7 52.786 51.051 27.492 1.00 0.00 C ATOM 119 OG1 THR A 7 53.035 52.433 27.372 1.00 0.00 O ATOM 120 CG2 THR A 7 52.039 50.594 26.242 1.00 0.00 C ATOM 0 H THR A 7 50.766 52.297 29.135 1.00 0.00 H new ATOM 0 HA THR A 7 51.896 49.649 28.863 1.00 0.00 H new ATOM 0 HB THR A 7 53.720 50.492 27.548 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.226 52.885 27.053 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.613 50.865 25.356 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.907 49.512 26.272 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.063 51.078 26.204 1.00 0.00 H new ATOM 128 N LEU A 8 53.905 50.304 30.358 1.00 0.00 N ATOM 129 CA LEU A 8 54.959 50.654 31.288 1.00 0.00 C ATOM 130 C LEU A 8 56.044 51.521 30.647 1.00 0.00 C ATOM 131 O LEU A 8 56.806 52.164 31.365 1.00 0.00 O ATOM 132 CB LEU A 8 55.544 49.401 31.935 1.00 0.00 C ATOM 133 CG LEU A 8 54.547 48.448 32.586 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.306 47.348 33.324 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.612 49.140 33.575 1.00 0.00 C ATOM 0 H LEU A 8 53.934 49.332 30.051 1.00 0.00 H new ATOM 0 HA LEU A 8 54.510 51.264 32.072 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.097 48.850 31.175 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.265 49.711 32.692 1.00 0.00 H new ATOM 0 HG LEU A 8 53.933 48.040 31.783 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.595 46.666 33.790 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.927 46.798 32.617 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.938 47.794 34.092 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.928 48.407 34.003 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.199 49.597 34.372 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.041 49.911 33.057 1.00 0.00 H new ATOM 147 N THR A 9 56.090 51.621 29.321 1.00 0.00 N ATOM 148 CA THR A 9 56.900 52.579 28.596 1.00 0.00 C ATOM 149 C THR A 9 56.285 53.977 28.516 1.00 0.00 C ATOM 150 O THR A 9 56.885 54.881 27.939 1.00 0.00 O ATOM 151 CB THR A 9 57.318 52.050 27.227 1.00 0.00 C ATOM 152 OG1 THR A 9 56.220 51.542 26.503 1.00 0.00 O ATOM 153 CG2 THR A 9 58.335 50.920 27.361 1.00 0.00 C ATOM 0 H THR A 9 55.545 51.015 28.708 1.00 0.00 H new ATOM 0 HA THR A 9 57.807 52.703 29.188 1.00 0.00 H new ATOM 0 HB THR A 9 57.752 52.898 26.697 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.526 51.214 25.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.615 50.563 26.370 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.222 51.288 27.878 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.896 50.101 27.931 1.00 0.00 H new ATOM 161 N GLY A 10 55.132 54.205 29.139 1.00 0.00 N ATOM 162 CA GLY A 10 54.567 55.520 29.369 1.00 0.00 C ATOM 163 C GLY A 10 53.721 56.103 28.235 1.00 0.00 C ATOM 164 O GLY A 10 53.306 57.254 28.339 1.00 0.00 O ATOM 0 H GLY A 10 54.551 53.452 29.507 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.951 55.475 30.267 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.384 56.211 29.577 1.00 0.00 H new ATOM 168 N LYS A 11 53.413 55.333 27.194 1.00 0.00 N ATOM 169 CA LYS A 11 52.448 55.671 26.169 1.00 0.00 C ATOM 170 C LYS A 11 51.055 55.158 26.544 1.00 0.00 C ATOM 171 O LYS A 11 50.925 54.044 27.046 1.00 0.00 O ATOM 172 CB LYS A 11 52.935 55.141 24.823 1.00 0.00 C ATOM 173 CG LYS A 11 51.943 55.360 23.685 1.00 0.00 C ATOM 174 CD LYS A 11 52.518 55.096 22.296 1.00 0.00 C ATOM 175 CE LYS A 11 53.504 56.188 21.893 1.00 0.00 C ATOM 176 NZ LYS A 11 53.929 56.021 20.495 1.00 0.00 N ATOM 0 H LYS A 11 53.849 54.424 27.042 1.00 0.00 H new ATOM 0 HA LYS A 11 52.358 56.754 26.085 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.878 55.626 24.570 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.140 54.074 24.915 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.081 54.711 23.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.580 56.387 23.727 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.018 54.128 22.284 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.709 55.046 21.568 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.042 57.167 22.022 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.375 56.157 22.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.532 56.821 20.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.464 55.134 20.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.092 55.989 19.879 1.00 0.00 H new ATOM 190 N THR A 12 50.020 55.935 26.239 1.00 0.00 N ATOM 191 CA THR A 12 48.635 55.511 26.305 1.00 0.00 C ATOM 192 C THR A 12 48.005 55.613 24.914 1.00 0.00 C ATOM 193 O THR A 12 48.360 56.503 24.144 1.00 0.00 O ATOM 194 CB THR A 12 47.860 56.307 27.350 1.00 0.00 C ATOM 195 OG1 THR A 12 48.404 56.045 28.624 1.00 0.00 O ATOM 196 CG2 THR A 12 46.384 55.930 27.443 1.00 0.00 C ATOM 0 H THR A 12 50.130 56.901 25.932 1.00 0.00 H new ATOM 0 HA THR A 12 48.593 54.469 26.623 1.00 0.00 H new ATOM 0 HB THR A 12 47.940 57.350 27.045 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.912 56.555 29.301 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.900 56.539 28.207 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.902 56.105 26.481 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.294 54.876 27.707 1.00 0.00 H new ATOM 204 N ILE A 13 47.095 54.706 24.568 1.00 0.00 N ATOM 205 CA ILE A 13 46.435 54.655 23.280 1.00 0.00 C ATOM 206 C ILE A 13 44.922 54.612 23.503 1.00 0.00 C ATOM 207 O ILE A 13 44.386 53.588 23.925 1.00 0.00 O ATOM 208 CB ILE A 13 46.919 53.465 22.456 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.440 53.359 22.388 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.338 53.531 21.046 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.977 52.112 21.693 1.00 0.00 C ATOM 0 H ILE A 13 46.792 53.966 25.201 1.00 0.00 H new ATOM 0 HA ILE A 13 46.685 55.548 22.707 1.00 0.00 H new ATOM 0 HB ILE A 13 46.564 52.569 22.965 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.826 54.237 21.871 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.835 53.387 23.403 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.690 52.677 20.467 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.250 53.509 21.100 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.659 54.454 20.563 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.067 52.133 21.698 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.629 51.223 22.220 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.620 52.087 20.664 1.00 0.00 H new ATOM 223 N THR A 14 44.222 55.702 23.202 1.00 0.00 N ATOM 224 CA THR A 14 42.777 55.759 23.119 1.00 0.00 C ATOM 225 C THR A 14 42.334 55.316 21.723 1.00 0.00 C ATOM 226 O THR A 14 42.768 55.915 20.741 1.00 0.00 O ATOM 227 CB THR A 14 42.257 57.168 23.392 1.00 0.00 C ATOM 228 OG1 THR A 14 42.686 57.626 24.655 1.00 0.00 O ATOM 229 CG2 THR A 14 40.732 57.224 23.397 1.00 0.00 C ATOM 0 H THR A 14 44.667 56.598 23.003 1.00 0.00 H new ATOM 0 HA THR A 14 42.365 55.093 23.877 1.00 0.00 H new ATOM 0 HB THR A 14 42.651 57.793 22.591 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.047 57.341 25.341 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.406 58.245 23.595 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.353 56.904 22.426 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.346 56.563 24.173 1.00 0.00 H new ATOM 237 N LEU A 15 41.472 54.309 21.618 1.00 0.00 N ATOM 238 CA LEU A 15 41.018 53.754 20.358 1.00 0.00 C ATOM 239 C LEU A 15 39.505 53.528 20.334 1.00 0.00 C ATOM 240 O LEU A 15 38.924 53.053 21.306 1.00 0.00 O ATOM 241 CB LEU A 15 41.793 52.469 20.085 1.00 0.00 C ATOM 242 CG LEU A 15 41.600 51.858 18.700 1.00 0.00 C ATOM 243 CD1 LEU A 15 42.198 52.720 17.592 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.286 50.496 18.636 1.00 0.00 C ATOM 0 H LEU A 15 41.063 53.848 22.431 1.00 0.00 H new ATOM 0 HA LEU A 15 41.216 54.471 19.562 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.855 52.670 20.228 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.506 51.728 20.831 1.00 0.00 H new ATOM 0 HG LEU A 15 40.524 51.777 18.545 1.00 0.00 H new ATOM 0 HD11 LEU A 15 42.033 52.239 16.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 41.720 53.700 17.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.269 52.838 17.760 1.00 0.00 H new ATOM 0 HD21 LEU A 15 42.145 50.064 17.645 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.352 50.616 18.832 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.852 49.834 19.385 1.00 0.00 H new ATOM 256 N GLU A 16 38.863 53.840 19.211 1.00 0.00 N ATOM 257 CA GLU A 16 37.465 53.559 18.955 1.00 0.00 C ATOM 258 C GLU A 16 37.316 52.233 18.206 1.00 0.00 C ATOM 259 O GLU A 16 37.787 52.102 17.079 1.00 0.00 O ATOM 260 CB GLU A 16 36.873 54.728 18.173 1.00 0.00 C ATOM 261 CG GLU A 16 35.357 54.675 18.008 1.00 0.00 C ATOM 262 CD GLU A 16 34.584 55.095 19.260 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.856 56.184 19.809 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.643 54.372 19.652 1.00 0.00 O ATOM 0 H GLU A 16 39.323 54.311 18.432 1.00 0.00 H new ATOM 0 HA GLU A 16 36.920 53.453 19.893 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.139 55.657 18.677 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.333 54.758 17.185 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.068 55.322 17.180 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.066 53.660 17.736 1.00 0.00 H new ATOM 271 N VAL A 17 36.678 51.242 18.824 1.00 0.00 N ATOM 272 CA VAL A 17 36.536 49.882 18.345 1.00 0.00 C ATOM 273 C VAL A 17 35.078 49.418 18.318 1.00 0.00 C ATOM 274 O VAL A 17 34.191 50.107 18.816 1.00 0.00 O ATOM 275 CB VAL A 17 37.380 48.921 19.177 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.866 49.263 19.128 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.945 48.865 20.639 1.00 0.00 C ATOM 0 H VAL A 17 36.222 51.382 19.725 1.00 0.00 H new ATOM 0 HA VAL A 17 36.897 49.875 17.317 1.00 0.00 H new ATOM 0 HB VAL A 17 37.218 47.944 18.722 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.424 48.550 19.736 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.217 49.214 18.097 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.021 50.270 19.516 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.581 48.165 21.181 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.034 49.856 21.083 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.908 48.533 20.698 1.00 0.00 H new ATOM 287 N GLU A 18 34.822 48.228 17.783 1.00 0.00 N ATOM 288 CA GLU A 18 33.600 47.477 17.988 1.00 0.00 C ATOM 289 C GLU A 18 33.876 46.255 18.866 1.00 0.00 C ATOM 290 O GLU A 18 34.937 45.647 18.739 1.00 0.00 O ATOM 291 CB GLU A 18 33.008 47.042 16.650 1.00 0.00 C ATOM 292 CG GLU A 18 32.259 48.153 15.918 1.00 0.00 C ATOM 293 CD GLU A 18 30.905 48.453 16.566 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.969 47.638 16.416 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.774 49.498 17.238 1.00 0.00 O ATOM 0 H GLU A 18 35.486 47.749 17.175 1.00 0.00 H new ATOM 0 HA GLU A 18 32.878 48.119 18.492 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.811 46.675 16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.327 46.207 16.818 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.867 49.058 15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.107 47.864 14.878 1.00 0.00 H new ATOM 302 N PRO A 19 32.952 45.812 19.714 1.00 0.00 N ATOM 303 CA PRO A 19 33.147 44.644 20.548 1.00 0.00 C ATOM 304 C PRO A 19 33.256 43.332 19.768 1.00 0.00 C ATOM 305 O PRO A 19 33.717 42.334 20.318 1.00 0.00 O ATOM 306 CB PRO A 19 31.983 44.646 21.534 1.00 0.00 C ATOM 307 CG PRO A 19 30.877 45.380 20.781 1.00 0.00 C ATOM 308 CD PRO A 19 31.659 46.413 19.976 1.00 0.00 C ATOM 0 HA PRO A 19 34.108 44.702 21.059 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.682 43.633 21.801 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.244 45.156 22.461 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.309 44.708 20.137 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.165 45.849 21.460 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.145 46.655 19.046 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.766 47.344 20.533 1.00 0.00 H new ATOM 316 N SER A 20 32.886 43.313 18.491 1.00 0.00 N ATOM 317 CA SER A 20 33.079 42.207 17.575 1.00 0.00 C ATOM 318 C SER A 20 34.425 42.195 16.847 1.00 0.00 C ATOM 319 O SER A 20 34.681 41.274 16.075 1.00 0.00 O ATOM 320 CB SER A 20 31.926 42.172 16.576 1.00 0.00 C ATOM 321 OG SER A 20 31.741 43.439 15.984 1.00 0.00 O ATOM 0 H SER A 20 32.422 44.108 18.052 1.00 0.00 H new ATOM 0 HA SER A 20 33.090 41.306 18.188 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.130 41.430 15.804 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.010 41.863 17.080 1.00 0.00 H new ATOM 0 HG SER A 20 30.999 43.396 15.345 1.00 0.00 H new ATOM 327 N ASP A 21 35.294 43.179 17.056 1.00 0.00 N ATOM 328 CA ASP A 21 36.628 43.184 16.491 1.00 0.00 C ATOM 329 C ASP A 21 37.500 42.106 17.137 1.00 0.00 C ATOM 330 O ASP A 21 37.329 41.763 18.305 1.00 0.00 O ATOM 331 CB ASP A 21 37.276 44.560 16.616 1.00 0.00 C ATOM 332 CG ASP A 21 36.591 45.668 15.814 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.904 45.370 14.811 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.787 46.854 16.155 1.00 0.00 O ATOM 0 H ASP A 21 35.086 43.998 17.627 1.00 0.00 H new ATOM 0 HA ASP A 21 36.540 42.954 15.429 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.287 44.846 17.668 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.315 44.487 16.294 1.00 0.00 H new ATOM 339 N THR A 22 38.451 41.558 16.386 1.00 0.00 N ATOM 340 CA THR A 22 39.401 40.589 16.893 1.00 0.00 C ATOM 341 C THR A 22 40.539 41.229 17.690 1.00 0.00 C ATOM 342 O THR A 22 40.935 42.365 17.441 1.00 0.00 O ATOM 343 CB THR A 22 39.974 39.666 15.820 1.00 0.00 C ATOM 344 OG1 THR A 22 40.556 40.392 14.760 1.00 0.00 O ATOM 345 CG2 THR A 22 38.913 38.735 15.244 1.00 0.00 C ATOM 0 H THR A 22 38.580 41.781 15.399 1.00 0.00 H new ATOM 0 HA THR A 22 38.810 39.973 17.571 1.00 0.00 H new ATOM 0 HB THR A 22 40.742 39.073 16.317 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.913 39.768 14.094 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.363 38.096 14.484 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.501 38.116 16.041 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.115 39.326 14.794 1.00 0.00 H new ATOM 353 N ILE A 23 41.129 40.463 18.605 1.00 0.00 N ATOM 354 CA ILE A 23 42.317 40.874 19.326 1.00 0.00 C ATOM 355 C ILE A 23 43.462 41.166 18.354 1.00 0.00 C ATOM 356 O ILE A 23 44.157 42.171 18.489 1.00 0.00 O ATOM 357 CB ILE A 23 42.708 39.820 20.358 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.591 39.413 21.315 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.937 40.261 21.146 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.892 40.547 22.059 1.00 0.00 C ATOM 0 H ILE A 23 40.790 39.536 18.864 1.00 0.00 H new ATOM 0 HA ILE A 23 42.099 41.797 19.864 1.00 0.00 H new ATOM 0 HB ILE A 23 42.936 38.929 19.774 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.840 38.861 20.750 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.005 38.725 22.052 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.196 39.494 21.875 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.773 40.410 20.463 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.721 41.195 21.664 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.119 40.135 22.708 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.620 41.090 22.662 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.437 41.228 21.340 1.00 0.00 H new ATOM 372 N GLU A 24 43.619 40.335 17.329 1.00 0.00 N ATOM 373 CA GLU A 24 44.562 40.497 16.241 1.00 0.00 C ATOM 374 C GLU A 24 44.361 41.797 15.459 1.00 0.00 C ATOM 375 O GLU A 24 45.336 42.468 15.132 1.00 0.00 O ATOM 376 CB GLU A 24 44.384 39.274 15.347 1.00 0.00 C ATOM 377 CG GLU A 24 45.311 39.162 14.140 1.00 0.00 C ATOM 378 CD GLU A 24 44.964 37.886 13.371 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.909 37.863 12.702 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.682 36.870 13.498 1.00 0.00 O ATOM 0 H GLU A 24 43.060 39.487 17.235 1.00 0.00 H new ATOM 0 HA GLU A 24 45.577 40.569 16.632 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.516 38.383 15.961 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.355 39.263 14.987 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.199 40.034 13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.351 39.137 14.464 1.00 0.00 H new ATOM 387 N ASN A 25 43.119 42.196 15.199 1.00 0.00 N ATOM 388 CA ASN A 25 42.824 43.443 14.522 1.00 0.00 C ATOM 389 C ASN A 25 43.234 44.665 15.346 1.00 0.00 C ATOM 390 O ASN A 25 43.818 45.599 14.801 1.00 0.00 O ATOM 391 CB ASN A 25 41.345 43.483 14.147 1.00 0.00 C ATOM 392 CG ASN A 25 40.992 44.747 13.362 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.301 45.642 13.842 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.480 44.841 12.128 1.00 0.00 N ATOM 0 H ASN A 25 42.291 41.658 15.455 1.00 0.00 H new ATOM 0 HA ASN A 25 43.420 43.486 13.611 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.097 42.604 13.552 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.739 43.436 15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.282 45.667 11.563 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.052 44.087 11.747 1.00 0.00 H new ATOM 401 N VAL A 26 43.014 44.649 16.657 1.00 0.00 N ATOM 402 CA VAL A 26 43.488 45.704 17.531 1.00 0.00 C ATOM 403 C VAL A 26 45.016 45.768 17.547 1.00 0.00 C ATOM 404 O VAL A 26 45.557 46.865 17.428 1.00 0.00 O ATOM 405 CB VAL A 26 42.889 45.588 18.930 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.451 46.633 19.891 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.375 45.771 18.878 1.00 0.00 C ATOM 0 H VAL A 26 42.505 43.907 17.136 1.00 0.00 H new ATOM 0 HA VAL A 26 43.139 46.654 17.127 1.00 0.00 H new ATOM 0 HB VAL A 26 43.151 44.594 19.293 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.993 46.508 20.872 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.530 46.507 19.975 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.231 47.631 19.512 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.963 45.685 19.884 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.141 46.756 18.473 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.937 45.003 18.240 1.00 0.00 H new ATOM 417 N LYS A 27 45.727 44.645 17.578 1.00 0.00 N ATOM 418 CA LYS A 27 47.170 44.619 17.444 1.00 0.00 C ATOM 419 C LYS A 27 47.647 45.234 16.126 1.00 0.00 C ATOM 420 O LYS A 27 48.584 46.027 16.126 1.00 0.00 O ATOM 421 CB LYS A 27 47.704 43.197 17.593 1.00 0.00 C ATOM 422 CG LYS A 27 47.568 42.631 19.004 1.00 0.00 C ATOM 423 CD LYS A 27 48.081 41.194 19.047 1.00 0.00 C ATOM 424 CE LYS A 27 48.120 40.670 20.480 1.00 0.00 C ATOM 425 NZ LYS A 27 48.656 39.301 20.532 1.00 0.00 N ATOM 0 H LYS A 27 45.309 43.722 17.698 1.00 0.00 H new ATOM 0 HA LYS A 27 47.571 45.234 18.250 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.174 42.546 16.898 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.755 43.182 17.306 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.130 43.247 19.706 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.524 42.662 19.317 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.438 40.556 18.440 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.079 41.147 18.612 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.735 41.328 21.094 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.116 40.686 20.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.655 38.965 21.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.064 38.674 19.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.629 39.295 20.165 1.00 0.00 H new ATOM 439 N ALA A 28 46.970 44.944 15.018 1.00 0.00 N ATOM 440 CA ALA A 28 47.284 45.497 13.716 1.00 0.00 C ATOM 441 C ALA A 28 47.035 47.004 13.616 1.00 0.00 C ATOM 442 O ALA A 28 47.815 47.709 12.980 1.00 0.00 O ATOM 443 CB ALA A 28 46.480 44.744 12.660 1.00 0.00 C ATOM 0 H ALA A 28 46.174 44.306 15.006 1.00 0.00 H new ATOM 0 HA ALA A 28 48.353 45.368 13.549 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.706 45.149 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.744 43.687 12.687 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.415 44.857 12.864 1.00 0.00 H new ATOM 449 N LYS A 29 45.989 47.514 14.260 1.00 0.00 N ATOM 450 CA LYS A 29 45.696 48.929 14.354 1.00 0.00 C ATOM 451 C LYS A 29 46.704 49.669 15.235 1.00 0.00 C ATOM 452 O LYS A 29 47.121 50.771 14.881 1.00 0.00 O ATOM 453 CB LYS A 29 44.264 49.118 14.848 1.00 0.00 C ATOM 454 CG LYS A 29 43.231 48.778 13.776 1.00 0.00 C ATOM 455 CD LYS A 29 41.830 48.708 14.374 1.00 0.00 C ATOM 456 CE LYS A 29 40.772 48.628 13.276 1.00 0.00 C ATOM 457 NZ LYS A 29 39.439 48.343 13.828 1.00 0.00 N ATOM 0 H LYS A 29 45.305 46.931 14.743 1.00 0.00 H new ATOM 0 HA LYS A 29 45.787 49.369 13.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.098 48.489 15.722 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.126 50.151 15.168 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.257 49.531 12.988 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.482 47.823 13.313 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.751 47.837 15.025 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.651 49.586 14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.745 49.569 12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.045 47.850 12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.710 48.654 13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.343 47.321 13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.319 48.852 14.727 1.00 0.00 H new ATOM 471 N ILE A 30 47.172 49.053 16.316 1.00 0.00 N ATOM 472 CA ILE A 30 48.253 49.567 17.133 1.00 0.00 C ATOM 473 C ILE A 30 49.549 49.685 16.327 1.00 0.00 C ATOM 474 O ILE A 30 50.264 50.671 16.488 1.00 0.00 O ATOM 475 CB ILE A 30 48.402 48.738 18.407 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.224 48.998 19.341 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.710 49.024 19.137 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.092 48.001 20.489 1.00 0.00 C ATOM 0 H ILE A 30 46.799 48.165 16.651 1.00 0.00 H new ATOM 0 HA ILE A 30 48.008 50.581 17.450 1.00 0.00 H new ATOM 0 HB ILE A 30 48.416 47.690 18.108 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.322 50.001 19.757 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.304 48.984 18.757 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.767 48.410 20.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.550 48.790 18.483 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.749 50.077 19.415 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.229 48.263 21.101 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.960 46.997 20.086 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.993 48.030 21.102 1.00 0.00 H new ATOM 490 N GLN A 31 49.846 48.760 15.418 1.00 0.00 N ATOM 491 CA GLN A 31 50.960 48.900 14.503 1.00 0.00 C ATOM 492 C GLN A 31 50.775 50.073 13.538 1.00 0.00 C ATOM 493 O GLN A 31 51.665 50.911 13.420 1.00 0.00 O ATOM 494 CB GLN A 31 51.196 47.607 13.729 1.00 0.00 C ATOM 495 CG GLN A 31 52.525 47.666 12.980 1.00 0.00 C ATOM 496 CD GLN A 31 52.723 46.524 11.982 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.789 45.864 11.531 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.969 46.242 11.610 1.00 0.00 N ATOM 0 H GLN A 31 49.318 47.895 15.300 1.00 0.00 H new ATOM 0 HA GLN A 31 51.840 49.113 15.109 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.196 46.760 14.416 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.381 47.445 13.023 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.590 48.616 12.449 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.340 47.649 13.703 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.748 46.786 11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.146 45.481 10.954 1.00 0.00 H new ATOM 507 N ASP A 32 49.639 50.149 12.851 1.00 0.00 N ATOM 508 CA ASP A 32 49.352 51.202 11.897 1.00 0.00 C ATOM 509 C ASP A 32 49.438 52.597 12.518 1.00 0.00 C ATOM 510 O ASP A 32 50.000 53.500 11.901 1.00 0.00 O ATOM 511 CB ASP A 32 47.976 50.952 11.285 1.00 0.00 C ATOM 512 CG ASP A 32 47.531 52.054 10.322 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.173 52.253 9.268 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.488 52.690 10.590 1.00 0.00 O ATOM 0 H ASP A 32 48.885 49.469 12.947 1.00 0.00 H new ATOM 0 HA ASP A 32 50.113 51.176 11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.990 50.000 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.242 50.860 12.085 1.00 0.00 H new ATOM 519 N LYS A 33 48.938 52.772 13.737 1.00 0.00 N ATOM 520 CA LYS A 33 48.954 54.034 14.449 1.00 0.00 C ATOM 521 C LYS A 33 50.301 54.362 15.096 1.00 0.00 C ATOM 522 O LYS A 33 50.824 55.453 14.875 1.00 0.00 O ATOM 523 CB LYS A 33 47.828 54.059 15.479 1.00 0.00 C ATOM 524 CG LYS A 33 46.454 54.081 14.814 1.00 0.00 C ATOM 525 CD LYS A 33 45.309 54.120 15.822 1.00 0.00 C ATOM 526 CE LYS A 33 45.264 55.406 16.643 1.00 0.00 C ATOM 527 NZ LYS A 33 45.004 56.587 15.805 1.00 0.00 N ATOM 0 H LYS A 33 48.500 52.018 14.266 1.00 0.00 H new ATOM 0 HA LYS A 33 48.793 54.817 13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.906 53.184 16.124 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.938 54.936 16.117 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.386 54.950 14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.347 53.199 14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.364 54.004 15.291 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.401 53.270 16.498 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.488 55.323 17.404 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.211 55.535 17.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.830 57.413 16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.829 56.771 15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.169 56.413 15.210 1.00 0.00 H new ATOM 541 N GLU A 34 50.859 53.448 15.885 1.00 0.00 N ATOM 542 CA GLU A 34 51.946 53.699 16.809 1.00 0.00 C ATOM 543 C GLU A 34 53.229 52.911 16.537 1.00 0.00 C ATOM 544 O GLU A 34 54.233 53.132 17.211 1.00 0.00 O ATOM 545 CB GLU A 34 51.471 53.444 18.237 1.00 0.00 C ATOM 546 CG GLU A 34 50.293 54.298 18.696 1.00 0.00 C ATOM 547 CD GLU A 34 50.566 55.804 18.683 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.732 56.221 18.852 1.00 0.00 O ATOM 549 OE2 GLU A 34 49.602 56.585 18.529 1.00 0.00 O ATOM 0 H GLU A 34 50.550 52.476 15.894 1.00 0.00 H new ATOM 0 HA GLU A 34 52.219 54.744 16.662 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.194 52.394 18.328 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.307 53.613 18.916 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.436 54.090 18.055 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.014 53.999 19.707 1.00 0.00 H new ATOM 556 N GLY A 35 53.245 52.012 15.557 1.00 0.00 N ATOM 557 CA GLY A 35 54.457 51.395 15.055 1.00 0.00 C ATOM 558 C GLY A 35 54.973 50.160 15.796 1.00 0.00 C ATOM 559 O GLY A 35 56.130 49.796 15.597 1.00 0.00 O ATOM 0 H GLY A 35 52.400 51.690 15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.289 51.118 14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.246 52.147 15.062 1.00 0.00 H new ATOM 563 N ILE A 36 54.165 49.517 16.634 1.00 0.00 N ATOM 564 CA ILE A 36 54.565 48.370 17.425 1.00 0.00 C ATOM 565 C ILE A 36 54.241 47.082 16.665 1.00 0.00 C ATOM 566 O ILE A 36 53.062 46.847 16.415 1.00 0.00 O ATOM 567 CB ILE A 36 53.917 48.401 18.807 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.128 49.742 19.504 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.480 47.265 19.656 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.428 49.887 20.852 1.00 0.00 C ATOM 0 H ILE A 36 53.193 49.789 16.781 1.00 0.00 H new ATOM 0 HA ILE A 36 55.642 48.406 17.587 1.00 0.00 H new ATOM 0 HB ILE A 36 52.842 48.270 18.682 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.198 49.894 19.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.780 50.536 18.844 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.019 47.285 20.643 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.266 46.311 19.175 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.559 47.386 19.757 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.638 50.873 21.267 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.352 49.772 20.718 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.792 49.120 21.536 1.00 0.00 H new ATOM 582 N PRO A 37 55.194 46.231 16.299 1.00 0.00 N ATOM 583 CA PRO A 37 54.936 45.055 15.493 1.00 0.00 C ATOM 584 C PRO A 37 53.978 44.058 16.150 1.00 0.00 C ATOM 585 O PRO A 37 54.210 43.678 17.295 1.00 0.00 O ATOM 586 CB PRO A 37 56.288 44.407 15.206 1.00 0.00 C ATOM 587 CG PRO A 37 57.272 45.564 15.367 1.00 0.00 C ATOM 588 CD PRO A 37 56.624 46.403 16.464 1.00 0.00 C ATOM 0 HA PRO A 37 54.432 45.359 14.575 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.502 43.597 15.903 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.326 43.983 14.203 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.264 45.215 15.656 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.389 46.128 14.442 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.946 46.072 17.451 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.905 47.452 16.372 1.00 0.00 H new ATOM 596 N PRO A 38 52.932 43.589 15.476 1.00 0.00 N ATOM 597 CA PRO A 38 51.828 42.889 16.103 1.00 0.00 C ATOM 598 C PRO A 38 52.199 41.503 16.632 1.00 0.00 C ATOM 599 O PRO A 38 51.713 41.095 17.685 1.00 0.00 O ATOM 600 CB PRO A 38 50.729 42.823 15.047 1.00 0.00 C ATOM 601 CG PRO A 38 51.500 42.849 13.730 1.00 0.00 C ATOM 602 CD PRO A 38 52.663 43.777 14.065 1.00 0.00 C ATOM 0 HA PRO A 38 51.503 43.424 16.995 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.132 41.916 15.145 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.043 43.666 15.128 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.841 41.856 13.437 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.894 43.233 12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.540 43.535 13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.408 44.815 13.852 1.00 0.00 H new ATOM 610 N ASP A 39 53.134 40.809 15.989 1.00 0.00 N ATOM 611 CA ASP A 39 53.669 39.540 16.441 1.00 0.00 C ATOM 612 C ASP A 39 54.672 39.674 17.589 1.00 0.00 C ATOM 613 O ASP A 39 55.150 38.665 18.104 1.00 0.00 O ATOM 614 CB ASP A 39 54.167 38.723 15.253 1.00 0.00 C ATOM 615 CG ASP A 39 55.291 39.359 14.431 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.276 40.585 14.189 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.184 38.609 13.979 1.00 0.00 O ATOM 0 H ASP A 39 53.549 41.129 15.114 1.00 0.00 H new ATOM 0 HA ASP A 39 52.856 38.973 16.893 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.513 37.757 15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.323 38.529 14.591 1.00 0.00 H new ATOM 622 N GLN A 40 54.945 40.889 18.055 1.00 0.00 N ATOM 623 CA GLN A 40 55.650 41.175 19.288 1.00 0.00 C ATOM 624 C GLN A 40 54.769 41.806 20.369 1.00 0.00 C ATOM 625 O GLN A 40 55.290 42.157 21.425 1.00 0.00 O ATOM 626 CB GLN A 40 56.914 41.983 19.008 1.00 0.00 C ATOM 627 CG GLN A 40 57.895 41.258 18.092 1.00 0.00 C ATOM 628 CD GLN A 40 59.282 41.899 18.014 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.643 42.816 18.749 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.152 41.405 17.138 1.00 0.00 N ATOM 0 H GLN A 40 54.666 41.734 17.557 1.00 0.00 H new ATOM 0 HA GLN A 40 55.951 40.217 19.711 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.637 42.934 18.554 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.409 42.212 19.952 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.003 40.230 18.437 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.472 41.215 17.089 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.875 40.644 16.518 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.096 41.787 17.086 1.00 0.00 H new ATOM 639 N GLN A 41 53.459 41.931 20.182 1.00 0.00 N ATOM 640 CA GLN A 41 52.543 42.471 21.167 1.00 0.00 C ATOM 641 C GLN A 41 51.903 41.377 22.024 1.00 0.00 C ATOM 642 O GLN A 41 51.389 40.399 21.486 1.00 0.00 O ATOM 643 CB GLN A 41 51.437 43.288 20.504 1.00 0.00 C ATOM 644 CG GLN A 41 51.887 44.570 19.809 1.00 0.00 C ATOM 645 CD GLN A 41 50.711 45.296 19.153 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.607 45.359 19.688 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.864 45.868 17.963 1.00 0.00 N ATOM 0 H GLN A 41 52.998 41.651 19.316 1.00 0.00 H new ATOM 0 HA GLN A 41 53.139 43.116 21.813 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.934 42.657 19.771 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.698 43.548 21.262 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.364 45.230 20.534 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.636 44.332 19.054 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.768 45.833 17.493 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.077 46.342 17.520 1.00 0.00 H new ATOM 656 N ARG A 42 51.830 41.575 23.336 1.00 0.00 N ATOM 657 CA ARG A 42 50.943 40.874 24.243 1.00 0.00 C ATOM 658 C ARG A 42 49.949 41.851 24.873 1.00 0.00 C ATOM 659 O ARG A 42 50.356 42.921 25.322 1.00 0.00 O ATOM 660 CB ARG A 42 51.730 40.154 25.334 1.00 0.00 C ATOM 661 CG ARG A 42 52.424 38.890 24.836 1.00 0.00 C ATOM 662 CD ARG A 42 53.207 38.222 25.963 1.00 0.00 C ATOM 663 NE ARG A 42 53.777 36.950 25.521 1.00 0.00 N ATOM 664 CZ ARG A 42 54.757 36.256 26.116 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.382 36.703 27.214 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.151 35.083 25.602 1.00 0.00 N ATOM 0 H ARG A 42 52.416 42.260 23.812 1.00 0.00 H new ATOM 0 HA ARG A 42 50.395 40.128 23.668 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.477 40.834 25.744 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.055 39.894 26.149 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.683 38.195 24.440 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.098 39.139 24.016 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.004 38.885 26.300 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.551 38.054 26.817 1.00 0.00 H new ATOM 0 HE ARG A 42 53.387 36.548 24.669 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.116 37.598 27.623 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.124 36.148 27.640 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.705 34.720 24.759 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.897 34.553 26.053 1.00 0.00 H new ATOM 680 N LEU A 43 48.672 41.485 24.933 1.00 0.00 N ATOM 681 CA LEU A 43 47.606 42.257 25.538 1.00 0.00 C ATOM 682 C LEU A 43 46.985 41.486 26.706 1.00 0.00 C ATOM 683 O LEU A 43 46.618 40.324 26.550 1.00 0.00 O ATOM 684 CB LEU A 43 46.566 42.612 24.480 1.00 0.00 C ATOM 685 CG LEU A 43 47.025 43.590 23.404 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.989 43.674 22.286 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.207 45.001 23.959 1.00 0.00 C ATOM 0 H LEU A 43 48.344 40.602 24.542 1.00 0.00 H new ATOM 0 HA LEU A 43 48.012 43.185 25.940 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.240 41.692 23.994 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.695 43.034 24.981 1.00 0.00 H new ATOM 0 HG LEU A 43 47.978 43.216 23.031 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.331 44.376 21.525 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.857 42.689 21.838 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.039 44.017 22.695 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.535 45.667 23.160 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.260 45.358 24.363 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.957 44.987 24.750 1.00 0.00 H new ATOM 699 N ILE A 44 46.860 42.127 27.863 1.00 0.00 N ATOM 700 CA ILE A 44 46.465 41.519 29.119 1.00 0.00 C ATOM 701 C ILE A 44 45.280 42.269 29.730 1.00 0.00 C ATOM 702 O ILE A 44 45.335 43.481 29.925 1.00 0.00 O ATOM 703 CB ILE A 44 47.641 41.424 30.085 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.890 40.771 29.500 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.227 40.609 31.307 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.870 41.734 28.837 1.00 0.00 C ATOM 0 H ILE A 44 47.040 43.127 27.950 1.00 0.00 H new ATOM 0 HA ILE A 44 46.141 40.498 28.918 1.00 0.00 H new ATOM 0 HB ILE A 44 47.897 42.454 30.332 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.410 40.238 30.296 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.583 40.026 28.766 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.066 40.540 31.999 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.387 41.097 31.802 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.931 39.608 30.993 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.724 41.176 28.452 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.373 42.250 28.015 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.214 42.465 29.569 1.00 0.00 H new ATOM 718 N PHE A 45 44.212 41.552 30.069 1.00 0.00 N ATOM 719 CA PHE A 45 42.988 42.084 30.633 1.00 0.00 C ATOM 720 C PHE A 45 42.240 41.050 31.478 1.00 0.00 C ATOM 721 O PHE A 45 42.179 39.879 31.111 1.00 0.00 O ATOM 722 CB PHE A 45 42.098 42.580 29.496 1.00 0.00 C ATOM 723 CG PHE A 45 40.755 43.116 29.930 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.673 44.347 30.591 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.595 42.363 29.716 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.433 44.828 31.029 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.355 42.841 30.157 1.00 0.00 C ATOM 728 CZ PHE A 45 38.274 44.073 30.816 1.00 0.00 C ATOM 0 H PHE A 45 44.181 40.539 29.950 1.00 0.00 H new ATOM 0 HA PHE A 45 43.248 42.906 31.300 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.628 43.363 28.954 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.937 41.761 28.796 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.568 44.927 30.764 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.656 41.411 29.210 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.371 45.782 31.531 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.461 42.259 29.989 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.318 44.441 31.160 1.00 0.00 H new ATOM 738 N ALA A 46 41.632 41.491 32.576 1.00 0.00 N ATOM 739 CA ALA A 46 40.720 40.733 33.408 1.00 0.00 C ATOM 740 C ALA A 46 41.165 39.303 33.725 1.00 0.00 C ATOM 741 O ALA A 46 40.395 38.352 33.616 1.00 0.00 O ATOM 742 CB ALA A 46 39.310 40.846 32.837 1.00 0.00 C ATOM 0 H ALA A 46 41.775 42.440 32.923 1.00 0.00 H new ATOM 0 HA ALA A 46 40.725 41.184 34.400 1.00 0.00 H new ATOM 0 HB1 ALA A 46 38.619 40.277 33.459 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.007 41.893 32.821 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.296 40.449 31.822 1.00 0.00 H new ATOM 748 N GLY A 47 42.433 39.155 34.102 1.00 0.00 N ATOM 749 CA GLY A 47 43.027 37.906 34.534 1.00 0.00 C ATOM 750 C GLY A 47 43.499 36.972 33.417 1.00 0.00 C ATOM 751 O GLY A 47 43.903 35.854 33.730 1.00 0.00 O ATOM 0 H GLY A 47 43.093 39.933 34.113 1.00 0.00 H new ATOM 0 HA2 GLY A 47 43.878 38.133 35.176 1.00 0.00 H new ATOM 0 HA3 GLY A 47 42.300 37.372 35.146 1.00 0.00 H new ATOM 755 N LYS A 48 43.451 37.395 32.157 1.00 0.00 N ATOM 756 CA LYS A 48 43.801 36.620 30.986 1.00 0.00 C ATOM 757 C LYS A 48 44.750 37.365 30.045 1.00 0.00 C ATOM 758 O LYS A 48 44.693 38.586 29.920 1.00 0.00 O ATOM 759 CB LYS A 48 42.531 36.243 30.228 1.00 0.00 C ATOM 760 CG LYS A 48 41.532 35.366 30.977 1.00 0.00 C ATOM 761 CD LYS A 48 42.111 34.015 31.391 1.00 0.00 C ATOM 762 CE LYS A 48 41.040 33.114 31.995 1.00 0.00 C ATOM 763 NZ LYS A 48 41.643 31.974 32.703 1.00 0.00 N ATOM 0 H LYS A 48 43.150 38.340 31.920 1.00 0.00 H new ATOM 0 HA LYS A 48 44.323 35.728 31.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.025 37.161 29.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.820 35.727 29.312 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.189 35.895 31.866 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.658 35.202 30.347 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.554 33.526 30.523 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.912 34.167 32.115 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.423 33.690 32.685 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.381 32.749 31.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.891 31.378 33.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.212 31.413 32.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.253 32.324 33.469 1.00 0.00 H new ATOM 777 N GLN A 49 45.539 36.609 29.286 1.00 0.00 N ATOM 778 CA GLN A 49 46.095 37.087 28.036 1.00 0.00 C ATOM 779 C GLN A 49 45.016 37.035 26.952 1.00 0.00 C ATOM 780 O GLN A 49 44.327 36.027 26.813 1.00 0.00 O ATOM 781 CB GLN A 49 47.323 36.264 27.659 1.00 0.00 C ATOM 782 CG GLN A 49 48.016 36.778 26.401 1.00 0.00 C ATOM 783 CD GLN A 49 49.184 35.873 26.004 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.057 34.983 25.166 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.345 36.022 26.636 1.00 0.00 N ATOM 0 H GLN A 49 45.806 35.654 29.524 1.00 0.00 H new ATOM 0 HA GLN A 49 46.420 38.122 28.142 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.030 36.275 28.488 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.026 35.226 27.507 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.298 36.830 25.582 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.379 37.792 26.571 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.456 36.759 27.332 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.125 35.399 26.424 1.00 0.00 H new ATOM 794 N LEU A 50 44.878 38.095 26.161 1.00 0.00 N ATOM 795 CA LEU A 50 43.922 38.179 25.076 1.00 0.00 C ATOM 796 C LEU A 50 44.458 37.479 23.827 1.00 0.00 C ATOM 797 O LEU A 50 45.543 37.803 23.349 1.00 0.00 O ATOM 798 CB LEU A 50 43.577 39.644 24.824 1.00 0.00 C ATOM 799 CG LEU A 50 42.985 40.401 26.008 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.685 41.844 25.612 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.671 39.779 26.476 1.00 0.00 C ATOM 0 H LEU A 50 45.445 38.937 26.264 1.00 0.00 H new ATOM 0 HA LEU A 50 43.004 37.659 25.349 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.482 40.160 24.503 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.870 39.694 23.996 1.00 0.00 H new ATOM 0 HG LEU A 50 43.721 40.355 26.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.263 42.375 26.465 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.607 42.335 25.299 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.971 41.854 24.788 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.280 40.346 27.321 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.948 39.799 25.660 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.845 38.747 26.781 1.00 0.00 H new ATOM 813 N GLU A 51 43.707 36.522 23.291 1.00 0.00 N ATOM 814 CA GLU A 51 44.131 35.641 22.221 1.00 0.00 C ATOM 815 C GLU A 51 43.666 36.094 20.837 1.00 0.00 C ATOM 816 O GLU A 51 42.480 36.320 20.606 1.00 0.00 O ATOM 817 CB GLU A 51 43.664 34.229 22.564 1.00 0.00 C ATOM 818 CG GLU A 51 44.117 33.138 21.598 1.00 0.00 C ATOM 819 CD GLU A 51 45.643 33.062 21.509 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.188 33.433 20.447 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.297 32.676 22.502 1.00 0.00 O ATOM 0 H GLU A 51 42.754 36.336 23.604 1.00 0.00 H new ATOM 0 HA GLU A 51 45.218 35.666 22.152 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.022 33.978 23.563 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.575 34.225 22.606 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.723 32.176 21.924 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.704 33.333 20.608 1.00 0.00 H new ATOM 828 N ASP A 52 44.598 36.184 19.892 1.00 0.00 N ATOM 829 CA ASP A 52 44.451 36.702 18.547 1.00 0.00 C ATOM 830 C ASP A 52 43.248 36.200 17.747 1.00 0.00 C ATOM 831 O ASP A 52 42.666 36.978 16.994 1.00 0.00 O ATOM 832 CB ASP A 52 45.727 36.381 17.774 1.00 0.00 C ATOM 833 CG ASP A 52 46.935 37.211 18.214 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.245 37.230 19.426 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.608 37.807 17.346 1.00 0.00 O ATOM 0 H ASP A 52 45.552 35.869 20.068 1.00 0.00 H new ATOM 0 HA ASP A 52 44.271 37.770 18.668 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.960 35.323 17.896 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.550 36.548 16.711 1.00 0.00 H new ATOM 840 N GLY A 53 42.844 34.942 17.904 1.00 0.00 N ATOM 841 CA GLY A 53 41.717 34.365 17.201 1.00 0.00 C ATOM 842 C GLY A 53 40.333 34.722 17.749 1.00 0.00 C ATOM 843 O GLY A 53 39.337 34.372 17.120 1.00 0.00 O ATOM 0 H GLY A 53 43.304 34.288 18.537 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.765 34.678 16.158 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.823 33.280 17.213 1.00 0.00 H new ATOM 847 N ARG A 54 40.255 35.386 18.898 1.00 0.00 N ATOM 848 CA ARG A 54 39.037 35.733 19.603 1.00 0.00 C ATOM 849 C ARG A 54 38.634 37.190 19.370 1.00 0.00 C ATOM 850 O ARG A 54 39.421 37.980 18.853 1.00 0.00 O ATOM 851 CB ARG A 54 39.199 35.433 21.091 1.00 0.00 C ATOM 852 CG ARG A 54 39.787 34.083 21.489 1.00 0.00 C ATOM 853 CD ARG A 54 39.075 32.835 20.976 1.00 0.00 C ATOM 854 NE ARG A 54 37.664 32.775 21.359 1.00 0.00 N ATOM 855 CZ ARG A 54 37.132 32.425 22.539 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.848 32.030 23.600 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.801 32.460 22.689 1.00 0.00 N ATOM 0 H ARG A 54 41.090 35.712 19.385 1.00 0.00 H new ATOM 0 HA ARG A 54 38.228 35.121 19.205 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.828 36.212 21.522 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.218 35.521 21.558 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.820 34.049 21.143 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.814 34.034 22.578 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.151 32.803 19.889 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.586 31.951 21.358 1.00 0.00 H new ATOM 0 HE ARG A 54 36.997 33.034 20.632 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.865 31.981 23.539 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.376 31.778 24.468 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.208 32.750 21.912 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.381 32.197 23.581 1.00 0.00 H new ATOM 871 N THR A 55 37.425 37.565 19.780 1.00 0.00 N ATOM 872 CA THR A 55 36.898 38.912 19.713 1.00 0.00 C ATOM 873 C THR A 55 36.762 39.570 21.088 1.00 0.00 C ATOM 874 O THR A 55 36.730 38.877 22.103 1.00 0.00 O ATOM 875 CB THR A 55 35.592 38.997 18.928 1.00 0.00 C ATOM 876 OG1 THR A 55 34.525 38.303 19.535 1.00 0.00 O ATOM 877 CG2 THR A 55 35.731 38.463 17.506 1.00 0.00 C ATOM 0 H THR A 55 36.762 36.904 20.185 1.00 0.00 H new ATOM 0 HA THR A 55 37.644 39.483 19.160 1.00 0.00 H new ATOM 0 HB THR A 55 35.366 40.063 18.913 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.877 37.546 20.048 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.774 38.546 16.991 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.483 39.044 16.971 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.036 37.417 17.538 1.00 0.00 H new ATOM 885 N LEU A 56 36.689 40.896 21.145 1.00 0.00 N ATOM 886 CA LEU A 56 36.633 41.649 22.383 1.00 0.00 C ATOM 887 C LEU A 56 35.474 41.226 23.288 1.00 0.00 C ATOM 888 O LEU A 56 35.636 41.133 24.502 1.00 0.00 O ATOM 889 CB LEU A 56 36.552 43.143 22.088 1.00 0.00 C ATOM 890 CG LEU A 56 37.890 43.856 21.914 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.588 43.536 20.595 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.672 45.366 21.948 1.00 0.00 C ATOM 0 H LEU A 56 36.667 41.485 20.312 1.00 0.00 H new ATOM 0 HA LEU A 56 37.552 41.430 22.926 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.965 43.284 21.180 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.006 43.626 22.899 1.00 0.00 H new ATOM 0 HG LEU A 56 38.521 43.505 22.731 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.532 44.078 20.542 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.781 42.465 20.536 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.950 43.836 19.764 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.628 45.875 21.824 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.000 45.655 21.140 1.00 0.00 H new ATOM 0 HD23 LEU A 56 37.232 45.649 22.905 1.00 0.00 H new ATOM 904 N SER A 57 34.316 40.919 22.709 1.00 0.00 N ATOM 905 CA SER A 57 33.148 40.431 23.412 1.00 0.00 C ATOM 906 C SER A 57 33.336 39.050 24.043 1.00 0.00 C ATOM 907 O SER A 57 32.745 38.793 25.089 1.00 0.00 O ATOM 908 CB SER A 57 31.942 40.423 22.477 1.00 0.00 C ATOM 909 OG SER A 57 32.193 39.644 21.328 1.00 0.00 O ATOM 0 H SER A 57 34.167 41.008 21.704 1.00 0.00 H new ATOM 0 HA SER A 57 32.980 41.120 24.240 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.073 40.029 23.004 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.701 41.444 22.182 1.00 0.00 H new ATOM 0 HG SER A 57 31.404 39.655 20.747 1.00 0.00 H new ATOM 915 N ASP A 58 34.204 38.191 23.515 1.00 0.00 N ATOM 916 CA ASP A 58 34.518 36.916 24.125 1.00 0.00 C ATOM 917 C ASP A 58 35.257 37.061 25.457 1.00 0.00 C ATOM 918 O ASP A 58 35.205 36.160 26.290 1.00 0.00 O ATOM 919 CB ASP A 58 35.335 36.041 23.178 1.00 0.00 C ATOM 920 CG ASP A 58 34.630 35.787 21.843 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.234 36.056 20.782 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.489 35.277 21.821 1.00 0.00 O ATOM 0 H ASP A 58 34.709 38.367 22.646 1.00 0.00 H new ATOM 0 HA ASP A 58 33.561 36.436 24.329 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.297 36.518 22.990 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.542 35.086 23.661 1.00 0.00 H new ATOM 927 N TYR A 59 35.901 38.201 25.696 1.00 0.00 N ATOM 928 CA TYR A 59 36.480 38.586 26.966 1.00 0.00 C ATOM 929 C TYR A 59 35.645 39.623 27.724 1.00 0.00 C ATOM 930 O TYR A 59 36.098 40.152 28.736 1.00 0.00 O ATOM 931 CB TYR A 59 37.919 39.043 26.753 1.00 0.00 C ATOM 932 CG TYR A 59 38.829 37.952 26.239 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.345 37.000 27.127 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.182 37.921 24.885 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.237 36.021 26.672 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.105 36.971 24.430 1.00 0.00 C ATOM 937 CZ TYR A 59 40.632 36.013 25.319 1.00 0.00 C ATOM 938 OH TYR A 59 41.521 35.090 24.852 1.00 0.00 O ATOM 0 H TYR A 59 36.036 38.908 24.973 1.00 0.00 H new ATOM 0 HA TYR A 59 36.481 37.708 27.611 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.927 39.874 26.048 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.315 39.421 27.696 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.054 37.021 28.167 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.745 38.627 24.194 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.620 35.276 27.354 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.414 36.973 23.395 1.00 0.00 H new ATOM 0 HH TYR A 59 41.036 34.370 24.397 1.00 0.00 H new ATOM 948 N ASN A 60 34.423 39.901 27.278 1.00 0.00 N ATOM 949 CA ASN A 60 33.487 40.800 27.921 1.00 0.00 C ATOM 950 C ASN A 60 34.010 42.227 28.096 1.00 0.00 C ATOM 951 O ASN A 60 33.690 42.901 29.073 1.00 0.00 O ATOM 952 CB ASN A 60 32.955 40.131 29.185 1.00 0.00 C ATOM 953 CG ASN A 60 31.557 40.623 29.564 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.386 41.547 30.358 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.510 40.038 28.991 1.00 0.00 N ATOM 0 H ASN A 60 34.049 39.486 26.424 1.00 0.00 H new ATOM 0 HA ASN A 60 32.638 40.968 27.259 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.929 39.051 29.037 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.641 40.324 30.010 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.566 40.355 29.210 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.651 39.272 28.333 1.00 0.00 H new ATOM 962 N ILE A 61 34.825 42.710 27.162 1.00 0.00 N ATOM 963 CA ILE A 61 35.400 44.039 27.185 1.00 0.00 C ATOM 964 C ILE A 61 34.304 45.060 26.873 1.00 0.00 C ATOM 965 O ILE A 61 33.750 45.055 25.776 1.00 0.00 O ATOM 966 CB ILE A 61 36.583 44.109 26.224 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.730 43.229 26.716 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.082 45.540 26.043 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.792 42.919 25.665 1.00 0.00 C ATOM 0 H ILE A 61 35.108 42.166 26.347 1.00 0.00 H new ATOM 0 HA ILE A 61 35.793 44.277 28.173 1.00 0.00 H new ATOM 0 HB ILE A 61 36.232 43.744 25.259 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.209 43.720 27.563 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.317 42.290 27.084 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.925 45.547 25.352 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.278 46.158 25.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.400 45.939 27.006 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.566 42.289 26.104 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.332 42.397 24.826 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.238 43.849 25.313 1.00 0.00 H new ATOM 981 N GLN A 62 33.975 45.916 27.836 1.00 0.00 N ATOM 982 CA GLN A 62 32.941 46.927 27.747 1.00 0.00 C ATOM 983 C GLN A 62 33.487 48.300 27.352 1.00 0.00 C ATOM 984 O GLN A 62 34.700 48.504 27.330 1.00 0.00 O ATOM 985 CB GLN A 62 32.210 46.999 29.085 1.00 0.00 C ATOM 986 CG GLN A 62 31.603 45.694 29.590 1.00 0.00 C ATOM 987 CD GLN A 62 30.600 45.045 28.634 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.829 45.698 27.934 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.533 43.718 28.582 1.00 0.00 N ATOM 0 H GLN A 62 34.448 45.919 28.740 1.00 0.00 H new ATOM 0 HA GLN A 62 32.251 46.639 26.954 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.908 47.367 29.838 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.413 47.738 29.001 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.408 44.986 29.786 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.107 45.884 30.542 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.162 43.153 29.153 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.853 43.265 27.971 1.00 0.00 H new ATOM 998 N LYS A 63 32.623 49.278 27.100 1.00 0.00 N ATOM 999 CA LYS A 63 33.015 50.641 26.803 1.00 0.00 C ATOM 1000 C LYS A 63 33.863 51.262 27.916 1.00 0.00 C ATOM 1001 O LYS A 63 33.558 51.152 29.101 1.00 0.00 O ATOM 1002 CB LYS A 63 31.831 51.515 26.397 1.00 0.00 C ATOM 1003 CG LYS A 63 30.954 52.114 27.492 1.00 0.00 C ATOM 1004 CD LYS A 63 30.078 51.106 28.233 1.00 0.00 C ATOM 1005 CE LYS A 63 29.252 51.837 29.287 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.292 50.941 29.950 1.00 0.00 N ATOM 0 H LYS A 63 31.613 49.137 27.098 1.00 0.00 H new ATOM 0 HA LYS A 63 33.662 50.592 25.927 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.218 52.338 25.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.189 50.921 25.747 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.594 52.619 28.215 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.312 52.875 27.048 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.421 50.592 27.531 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.699 50.344 28.705 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.918 52.272 30.033 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.715 52.662 28.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.751 51.476 30.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.640 50.546 29.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.806 50.167 30.418 1.00 0.00 H new ATOM 1020 N GLU A 64 34.945 51.921 27.511 1.00 0.00 N ATOM 1021 CA GLU A 64 35.952 52.546 28.346 1.00 0.00 C ATOM 1022 C GLU A 64 36.679 51.597 29.302 1.00 0.00 C ATOM 1023 O GLU A 64 37.142 52.004 30.365 1.00 0.00 O ATOM 1024 CB GLU A 64 35.440 53.843 28.964 1.00 0.00 C ATOM 1025 CG GLU A 64 34.984 54.821 27.885 1.00 0.00 C ATOM 1026 CD GLU A 64 34.803 56.245 28.416 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.332 56.431 29.558 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.126 57.194 27.670 1.00 0.00 O ATOM 0 H GLU A 64 35.151 52.037 26.519 1.00 0.00 H new ATOM 0 HA GLU A 64 36.765 52.840 27.682 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.611 53.626 29.637 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.227 54.299 29.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.715 54.830 27.076 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.042 54.474 27.460 1.00 0.00 H new ATOM 1035 N SER A 65 36.823 50.339 28.896 1.00 0.00 N ATOM 1036 CA SER A 65 37.780 49.419 29.480 1.00 0.00 C ATOM 1037 C SER A 65 39.223 49.864 29.229 1.00 0.00 C ATOM 1038 O SER A 65 39.514 50.458 28.195 1.00 0.00 O ATOM 1039 CB SER A 65 37.630 48.010 28.914 1.00 0.00 C ATOM 1040 OG SER A 65 36.336 47.495 29.134 1.00 0.00 O ATOM 0 H SER A 65 36.270 49.930 28.143 1.00 0.00 H new ATOM 0 HA SER A 65 37.570 49.417 30.549 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.839 48.023 27.844 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.367 47.352 29.375 1.00 0.00 H new ATOM 0 HG SER A 65 35.764 47.708 28.367 1.00 0.00 H new ATOM 1046 N THR A 66 40.123 49.505 30.140 1.00 0.00 N ATOM 1047 CA THR A 66 41.551 49.719 30.011 1.00 0.00 C ATOM 1048 C THR A 66 42.286 48.383 29.897 1.00 0.00 C ATOM 1049 O THR A 66 42.166 47.534 30.779 1.00 0.00 O ATOM 1050 CB THR A 66 42.111 50.536 31.171 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.408 51.753 31.287 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.573 50.920 30.964 1.00 0.00 C ATOM 0 H THR A 66 39.865 49.044 31.012 1.00 0.00 H new ATOM 0 HA THR A 66 41.713 50.291 29.098 1.00 0.00 H new ATOM 0 HB THR A 66 42.010 49.907 32.055 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.772 52.271 32.035 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.921 51.500 31.819 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.176 50.017 30.868 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.667 51.517 30.057 1.00 0.00 H new ATOM 1060 N LEU A 67 43.056 48.206 28.827 1.00 0.00 N ATOM 1061 CA LEU A 67 43.883 47.048 28.548 1.00 0.00 C ATOM 1062 C LEU A 67 45.352 47.361 28.843 1.00 0.00 C ATOM 1063 O LEU A 67 45.768 48.512 28.727 1.00 0.00 O ATOM 1064 CB LEU A 67 43.696 46.601 27.101 1.00 0.00 C ATOM 1065 CG LEU A 67 42.276 46.565 26.545 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.293 46.075 25.100 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.333 45.661 27.333 1.00 0.00 C ATOM 0 H LEU A 67 43.119 48.911 28.092 1.00 0.00 H new ATOM 0 HA LEU A 67 43.575 46.229 29.198 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.287 47.262 26.467 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.120 45.602 27.002 1.00 0.00 H new ATOM 0 HG LEU A 67 41.904 47.587 26.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.275 46.053 24.711 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.898 46.750 24.494 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.718 45.072 25.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.342 45.686 26.880 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.713 44.639 27.320 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.269 46.011 28.363 1.00 0.00 H new ATOM 1079 N HIS A 68 46.163 46.367 29.195 1.00 0.00 N ATOM 1080 CA HIS A 68 47.591 46.531 29.370 1.00 0.00 C ATOM 1081 C HIS A 68 48.342 45.898 28.197 1.00 0.00 C ATOM 1082 O HIS A 68 48.003 44.794 27.778 1.00 0.00 O ATOM 1083 CB HIS A 68 48.051 45.947 30.703 1.00 0.00 C ATOM 1084 CG HIS A 68 47.684 46.734 31.932 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.517 46.933 33.032 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.475 47.323 32.194 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.818 47.650 33.915 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.586 47.900 33.443 1.00 0.00 N ATOM 0 H HIS A 68 45.837 45.416 29.367 1.00 0.00 H new ATOM 0 HA HIS A 68 47.818 47.597 29.387 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.634 44.944 30.800 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.135 45.840 30.675 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.607 47.334 31.551 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.191 47.982 34.873 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.857 48.426 33.925 1.00 0.00 H new ATOM 1096 N LEU A 69 49.358 46.580 27.673 1.00 0.00 N ATOM 1097 CA LEU A 69 50.175 46.146 26.558 1.00 0.00 C ATOM 1098 C LEU A 69 51.623 45.915 26.995 1.00 0.00 C ATOM 1099 O LEU A 69 52.188 46.718 27.734 1.00 0.00 O ATOM 1100 CB LEU A 69 50.035 47.189 25.452 1.00 0.00 C ATOM 1101 CG LEU A 69 51.006 47.121 24.278 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.900 45.842 23.455 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.740 48.287 23.331 1.00 0.00 C ATOM 0 H LEU A 69 49.641 47.490 28.035 1.00 0.00 H new ATOM 0 HA LEU A 69 49.838 45.183 26.175 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.023 47.119 25.053 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.131 48.174 25.908 1.00 0.00 H new ATOM 0 HG LEU A 69 52.002 47.155 24.720 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.623 45.873 22.640 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.106 44.982 24.092 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.894 45.756 23.044 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.434 48.239 22.491 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.717 48.228 22.960 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.879 49.228 23.864 1.00 0.00 H new ATOM 1115 N VAL A 70 52.235 44.835 26.517 1.00 0.00 N ATOM 1116 CA VAL A 70 53.616 44.462 26.747 1.00 0.00 C ATOM 1117 C VAL A 70 54.289 44.077 25.429 1.00 0.00 C ATOM 1118 O VAL A 70 53.726 43.320 24.640 1.00 0.00 O ATOM 1119 CB VAL A 70 53.704 43.333 27.770 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.137 42.866 28.012 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.136 43.749 29.124 1.00 0.00 C ATOM 0 H VAL A 70 51.747 44.162 25.926 1.00 0.00 H new ATOM 0 HA VAL A 70 54.148 45.320 27.157 1.00 0.00 H new ATOM 0 HB VAL A 70 53.119 42.521 27.338 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.138 42.062 28.748 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.564 42.503 27.077 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.733 43.699 28.384 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.217 42.917 29.824 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.696 44.602 29.507 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.088 44.025 29.009 1.00 0.00 H new ATOM 1131 N LEU A 71 55.502 44.574 25.205 1.00 0.00 N ATOM 1132 CA LEU A 71 56.381 44.182 24.122 1.00 0.00 C ATOM 1133 C LEU A 71 57.123 42.896 24.491 1.00 0.00 C ATOM 1134 O LEU A 71 57.702 42.799 25.572 1.00 0.00 O ATOM 1135 CB LEU A 71 57.335 45.334 23.814 1.00 0.00 C ATOM 1136 CG LEU A 71 58.293 45.107 22.649 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.571 45.058 21.305 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.310 46.242 22.584 1.00 0.00 C ATOM 0 H LEU A 71 55.911 45.292 25.803 1.00 0.00 H new ATOM 0 HA LEU A 71 55.805 43.971 23.221 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.743 46.225 23.605 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.923 45.544 24.708 1.00 0.00 H new ATOM 0 HG LEU A 71 58.777 44.147 22.827 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.296 44.895 20.508 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.848 44.243 21.310 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.053 46.002 21.136 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.991 46.073 21.750 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.790 47.189 22.442 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.877 46.276 23.514 1.00 0.00 H new ATOM 1150 N ARG A 72 57.132 41.906 23.604 1.00 0.00 N ATOM 1151 CA ARG A 72 57.770 40.623 23.822 1.00 0.00 C ATOM 1152 C ARG A 72 59.296 40.717 23.894 1.00 0.00 C ATOM 1153 O ARG A 72 59.920 41.347 23.043 1.00 0.00 O ATOM 1154 CB ARG A 72 57.344 39.648 22.727 1.00 0.00 C ATOM 1155 CG ARG A 72 55.931 39.114 22.941 1.00 0.00 C ATOM 1156 CD ARG A 72 55.612 37.927 22.037 1.00 0.00 C ATOM 1157 NE ARG A 72 56.463 36.785 22.367 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.321 35.504 22.001 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.344 35.075 21.190 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.209 34.628 22.490 1.00 0.00 N ATOM 0 H ARG A 72 56.683 41.981 22.691 1.00 0.00 H new ATOM 0 HA ARG A 72 57.441 40.258 24.795 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.398 40.147 21.759 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.044 38.813 22.695 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.813 38.815 23.983 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.212 39.912 22.755 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.564 37.650 22.148 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.759 38.208 20.994 1.00 0.00 H new ATOM 0 HE ARG A 72 57.272 36.991 22.953 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.662 35.736 20.819 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.283 34.087 20.943 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.951 34.948 23.112 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.143 33.641 22.240 1.00 0.00 H new ATOM 1174 N LEU A 73 59.890 40.026 24.862 1.00 0.00 N ATOM 1175 CA LEU A 73 61.321 39.941 25.072 1.00 0.00 C ATOM 1176 C LEU A 73 61.974 38.963 24.093 1.00 0.00 C ATOM 1177 O LEU A 73 61.376 37.943 23.759 1.00 0.00 O ATOM 1178 CB LEU A 73 61.614 39.561 26.520 1.00 0.00 C ATOM 1179 CG LEU A 73 61.087 40.507 27.596 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.645 40.090 28.954 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.465 41.968 27.370 1.00 0.00 C ATOM 0 H LEU A 73 59.359 39.489 25.548 1.00 0.00 H new ATOM 0 HA LEU A 73 61.757 40.921 24.878 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.197 38.571 26.703 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.694 39.479 26.638 1.00 0.00 H new ATOM 0 HG LEU A 73 60.000 40.434 27.554 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.270 40.764 29.724 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.330 39.071 29.179 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.734 40.137 28.930 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.055 42.579 28.175 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.551 42.065 27.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.060 42.305 26.416 1.00 0.00 H new ATOM 1193 N ARG A 74 63.178 39.280 23.627 1.00 0.00 N ATOM 1194 CA ARG A 74 63.891 38.618 22.552 1.00 0.00 C ATOM 1195 C ARG A 74 62.981 38.279 21.370 1.00 0.00 C ATOM 1196 O ARG A 74 62.993 37.162 20.858 1.00 0.00 O ATOM 1197 CB ARG A 74 64.736 37.459 23.071 1.00 0.00 C ATOM 1198 CG ARG A 74 65.942 37.945 23.870 1.00 0.00 C ATOM 1199 CD ARG A 74 66.801 36.823 24.448 1.00 0.00 C ATOM 1200 NE ARG A 74 67.869 37.374 25.283 1.00 0.00 N ATOM 1201 CZ ARG A 74 69.057 36.829 25.576 1.00 0.00 C ATOM 1202 NH1 ARG A 74 69.439 35.610 25.171 1.00 0.00 N ATOM 1203 NH2 ARG A 74 69.938 37.520 26.312 1.00 0.00 N ATOM 0 H ARG A 74 63.711 40.056 24.019 1.00 0.00 H new ATOM 0 HA ARG A 74 64.609 39.325 22.136 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.121 36.814 23.699 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.077 36.854 22.231 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.563 38.569 23.227 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.593 38.577 24.686 1.00 0.00 H new ATOM 0 HD2 ARG A 74 66.180 36.149 25.039 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.232 36.233 23.639 1.00 0.00 H new ATOM 0 HE ARG A 74 67.685 38.289 25.694 1.00 0.00 H new ATOM 0 HH11 ARG A 74 68.810 35.040 24.605 1.00 0.00 H new ATOM 0 HH12 ARG A 74 70.359 35.252 25.428 1.00 0.00 H new ATOM 0 HH21 ARG A 74 69.702 38.455 26.645 1.00 0.00 H new ATOM 0 HH22 ARG A 74 70.845 37.111 26.539 1.00 0.00 H new ATOM 1217 N GLY A 75 62.141 39.227 20.963 1.00 0.00 N ATOM 1218 CA GLY A 75 61.052 39.005 20.034 1.00 0.00 C ATOM 1219 C GLY A 75 61.483 38.581 18.628 1.00 0.00 C ATOM 1220 O GLY A 75 60.724 37.878 17.964 1.00 0.00 O ATOM 0 H GLY A 75 62.206 40.194 21.282 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.394 38.238 20.444 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.466 39.921 19.958 1.00 0.00 H new ATOM 1224 N GLY A 76 62.694 38.931 18.204 1.00 0.00 N ATOM 1225 CA GLY A 76 63.282 38.537 16.939 1.00 0.00 C ATOM 1226 C GLY A 76 64.750 38.954 16.825 1.00 0.00 C ATOM 1227 O GLY A 76 65.619 38.056 16.824 1.00 0.00 O ATOM 1228 OXT GLY A 76 65.000 40.178 16.757 1.00 0.00 O ATOM 0 H GLY A 76 63.313 39.521 18.759 1.00 0.00 H new ATOM 0 HA2 GLY A 76 63.204 37.456 16.826 1.00 0.00 H new ATOM 0 HA3 GLY A 76 62.715 38.984 16.123 1.00 0.00 H new TER 1232 GLY A 76