USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= -0.282 (180deg=-0.454) USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= -0.0539 (180deg=-0.309) USER MOD Single : A 17 TYR OH : rot 80:sc= -1.71 USER MOD Single : A 23 SER OG : rot 92:sc= 1.23 USER MOD Single : A 25 SER OG : rot 100:sc= -0.363! USER MOD Single : A 28 ASN : amide:sc= -0.302! K(o=-0.3!,f=-1.3) USER MOD Single : A 32 SER OG : rot -163:sc= -1.59! USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.00891 (180deg=0.00748) USER MOD Single : A 37 LYS NZ :NH3+ -127:sc= -0.0962 (180deg=-0.682) USER MOD Single : A 42 ASN : amide:sc= -0.238 K(o=-0.24,f=-3.5!) USER MOD Single : A 43 SER OG : rot -129:sc= -4.53! USER MOD Single : A 44 LYS NZ :NH3+ -97:sc= -0.258 (180deg=-0.888) USER MOD Single : A 57 SER OG : rot 56:sc= -4.66! USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.99 F(o=-3.9!,f=-2) USER MOD Single : A 64 MET CE :methyl -172:sc= -4.59! (180deg=-5.36!) USER MOD Single : A 74 MET CE :methyl 145:sc= -4.62! (180deg=-6.11!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 87:sc= -2.13! USER MOD Single : B 109 ASN : amide:sc= -5.66! C(o=-5.7!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 39 N ALA A 8 1.556 2.930 -18.531 1.00 0.00 N ATOM 40 CA ALA A 8 1.331 1.464 -18.383 1.00 0.00 C ATOM 41 C ALA A 8 -0.155 1.153 -18.226 1.00 0.00 C ATOM 42 O ALA A 8 -0.642 0.142 -18.690 1.00 0.00 O ATOM 43 CB ALA A 8 2.078 1.098 -17.112 1.00 0.00 C ATOM 0 HA ALA A 8 1.674 0.906 -19.254 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.969 0.031 -16.920 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.135 1.339 -17.229 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.667 1.661 -16.274 1.00 0.00 H new ATOM 49 N VAL A 9 -0.876 2.013 -17.570 1.00 0.00 N ATOM 50 CA VAL A 9 -2.330 1.766 -17.373 1.00 0.00 C ATOM 51 C VAL A 9 -3.120 2.303 -18.568 1.00 0.00 C ATOM 52 O VAL A 9 -2.643 3.131 -19.319 1.00 0.00 O ATOM 53 CB VAL A 9 -2.686 2.519 -16.089 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.202 2.510 -15.890 1.00 0.00 C ATOM 55 CG2 VAL A 9 -2.010 1.830 -14.897 1.00 0.00 C ATOM 0 H VAL A 9 -0.523 2.878 -17.161 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.570 0.706 -17.295 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.340 3.550 -16.163 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.452 3.047 -14.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.683 2.996 -16.739 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.553 1.481 -15.814 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.260 2.362 -13.979 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.360 0.800 -14.826 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.929 1.837 -15.038 1.00 0.00 H new ATOM 65 N LYS A 10 -4.317 1.828 -18.758 1.00 0.00 N ATOM 66 CA LYS A 10 -5.134 2.299 -19.912 1.00 0.00 C ATOM 67 C LYS A 10 -6.381 3.036 -19.418 1.00 0.00 C ATOM 68 O LYS A 10 -6.616 3.126 -18.230 1.00 0.00 O ATOM 69 CB LYS A 10 -5.527 1.020 -20.653 1.00 0.00 C ATOM 70 CG LYS A 10 -4.698 0.895 -21.931 1.00 0.00 C ATOM 71 CD LYS A 10 -3.281 0.446 -21.572 1.00 0.00 C ATOM 72 CE LYS A 10 -2.558 -0.026 -22.835 1.00 0.00 C ATOM 73 NZ LYS A 10 -1.156 -0.288 -22.400 1.00 0.00 N ATOM 0 H LYS A 10 -4.767 1.132 -18.163 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.590 2.996 -20.549 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.363 0.152 -20.014 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.589 1.040 -20.897 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.159 0.176 -22.608 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.668 1.851 -22.453 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.733 1.269 -21.113 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.319 -0.360 -20.839 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.020 -0.926 -23.242 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.594 0.732 -23.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.596 -0.616 -23.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.740 0.588 -22.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.153 -1.019 -21.660 1.00 0.00 H new ATOM 87 N PRO A 11 -7.146 3.529 -20.354 1.00 0.00 N ATOM 88 CA PRO A 11 -8.392 4.256 -20.010 1.00 0.00 C ATOM 89 C PRO A 11 -9.432 3.276 -19.465 1.00 0.00 C ATOM 90 O PRO A 11 -10.211 3.599 -18.591 1.00 0.00 O ATOM 91 CB PRO A 11 -8.842 4.849 -21.344 1.00 0.00 C ATOM 92 CG PRO A 11 -8.225 3.968 -22.382 1.00 0.00 C ATOM 93 CD PRO A 11 -6.932 3.456 -21.804 1.00 0.00 C ATOM 0 HA PRO A 11 -8.254 5.017 -19.242 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.929 4.856 -21.427 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.507 5.881 -21.451 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.890 3.142 -22.633 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.044 4.523 -23.303 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.725 2.436 -22.127 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.085 4.067 -22.115 1.00 0.00 H new ATOM 101 N GLU A 12 -9.443 2.076 -19.974 1.00 0.00 N ATOM 102 CA GLU A 12 -10.425 1.067 -19.486 1.00 0.00 C ATOM 103 C GLU A 12 -9.956 0.482 -18.150 1.00 0.00 C ATOM 104 O GLU A 12 -10.752 0.053 -17.337 1.00 0.00 O ATOM 105 CB GLU A 12 -10.457 -0.010 -20.569 1.00 0.00 C ATOM 106 CG GLU A 12 -9.163 -0.824 -20.523 1.00 0.00 C ATOM 107 CD GLU A 12 -9.034 -1.644 -21.808 1.00 0.00 C ATOM 108 OE1 GLU A 12 -10.041 -1.835 -22.469 1.00 0.00 O ATOM 109 OE2 GLU A 12 -7.930 -2.069 -22.109 1.00 0.00 O ATOM 0 H GLU A 12 -8.814 1.750 -20.708 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.412 1.495 -19.314 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.316 -0.665 -20.419 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.574 0.450 -21.550 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.306 -0.159 -20.415 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.166 -1.484 -19.656 1.00 0.00 H new ATOM 116 N ASP A 13 -8.672 0.477 -17.908 1.00 0.00 N ATOM 117 CA ASP A 13 -8.159 -0.064 -16.617 1.00 0.00 C ATOM 118 C ASP A 13 -8.294 1.010 -15.543 1.00 0.00 C ATOM 119 O ASP A 13 -8.520 0.727 -14.384 1.00 0.00 O ATOM 120 CB ASP A 13 -6.686 -0.392 -16.870 1.00 0.00 C ATOM 121 CG ASP A 13 -6.576 -1.705 -17.646 1.00 0.00 C ATOM 122 OD1 ASP A 13 -6.998 -1.731 -18.790 1.00 0.00 O ATOM 123 OD2 ASP A 13 -6.070 -2.663 -17.083 1.00 0.00 O ATOM 0 H ASP A 13 -7.958 0.824 -18.548 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.706 -0.944 -16.279 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.215 0.414 -17.432 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.154 -0.473 -15.922 1.00 0.00 H new ATOM 128 N LYS A 14 -8.176 2.249 -15.929 1.00 0.00 N ATOM 129 CA LYS A 14 -8.320 3.349 -14.942 1.00 0.00 C ATOM 130 C LYS A 14 -9.802 3.533 -14.615 1.00 0.00 C ATOM 131 O LYS A 14 -10.167 4.196 -13.665 1.00 0.00 O ATOM 132 CB LYS A 14 -7.763 4.589 -15.639 1.00 0.00 C ATOM 133 CG LYS A 14 -6.751 5.278 -14.723 1.00 0.00 C ATOM 134 CD LYS A 14 -7.441 6.409 -13.955 1.00 0.00 C ATOM 135 CE LYS A 14 -6.585 7.676 -14.031 1.00 0.00 C ATOM 136 NZ LYS A 14 -7.214 8.624 -13.069 1.00 0.00 N ATOM 0 H LYS A 14 -7.986 2.546 -16.886 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.796 3.152 -14.007 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.287 4.308 -16.578 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.573 5.276 -15.885 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.327 4.556 -14.025 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.924 5.676 -15.312 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.428 6.599 -14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.588 6.119 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.549 7.469 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.576 8.086 -15.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.549 9.466 -13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.018 8.160 -12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.514 8.909 -12.354 1.00 0.00 H new ATOM 150 N ALA A 15 -10.657 2.927 -15.396 1.00 0.00 N ATOM 151 CA ALA A 15 -12.118 3.038 -15.139 1.00 0.00 C ATOM 152 C ALA A 15 -12.509 2.026 -14.066 1.00 0.00 C ATOM 153 O ALA A 15 -13.287 2.315 -13.178 1.00 0.00 O ATOM 154 CB ALA A 15 -12.791 2.704 -16.471 1.00 0.00 C ATOM 0 H ALA A 15 -10.403 2.358 -16.204 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.413 4.026 -14.787 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.873 2.766 -16.357 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.465 3.414 -17.231 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.515 1.694 -16.775 1.00 0.00 H new ATOM 160 N LYS A 16 -11.953 0.846 -14.128 1.00 0.00 N ATOM 161 CA LYS A 16 -12.273 -0.173 -13.097 1.00 0.00 C ATOM 162 C LYS A 16 -11.561 0.211 -11.797 1.00 0.00 C ATOM 163 O LYS A 16 -12.009 -0.099 -10.711 1.00 0.00 O ATOM 164 CB LYS A 16 -11.755 -1.494 -13.668 1.00 0.00 C ATOM 165 CG LYS A 16 -10.264 -1.625 -13.395 1.00 0.00 C ATOM 166 CD LYS A 16 -9.641 -2.602 -14.395 1.00 0.00 C ATOM 167 CE LYS A 16 -9.741 -4.030 -13.846 1.00 0.00 C ATOM 168 NZ LYS A 16 -10.981 -4.601 -14.448 1.00 0.00 N ATOM 0 H LYS A 16 -11.294 0.548 -14.847 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.336 -0.250 -12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.291 -2.330 -13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.942 -1.535 -14.741 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.783 -0.650 -13.476 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.100 -1.978 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.154 -2.533 -15.354 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.598 -2.341 -14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.865 -4.618 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.797 -4.029 -12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.559 -5.039 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.525 -3.843 -14.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.725 -5.320 -15.154 1.00 0.00 H new ATOM 182 N TYR A 17 -10.461 0.911 -11.910 1.00 0.00 N ATOM 183 CA TYR A 17 -9.725 1.351 -10.692 1.00 0.00 C ATOM 184 C TYR A 17 -10.522 2.460 -10.007 1.00 0.00 C ATOM 185 O TYR A 17 -10.543 2.571 -8.797 1.00 0.00 O ATOM 186 CB TYR A 17 -8.388 1.911 -11.196 1.00 0.00 C ATOM 187 CG TYR A 17 -7.580 0.837 -11.892 1.00 0.00 C ATOM 188 CD1 TYR A 17 -8.071 -0.470 -11.994 1.00 0.00 C ATOM 189 CD2 TYR A 17 -6.325 1.154 -12.433 1.00 0.00 C ATOM 190 CE1 TYR A 17 -7.313 -1.455 -12.637 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.564 0.168 -13.073 1.00 0.00 C ATOM 192 CZ TYR A 17 -6.061 -1.137 -13.178 1.00 0.00 C ATOM 193 OH TYR A 17 -5.313 -2.110 -13.810 1.00 0.00 O ATOM 0 H TYR A 17 -10.042 1.196 -12.795 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.577 0.539 -9.980 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.571 2.737 -11.884 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.819 2.314 -10.358 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.035 -0.718 -11.576 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.945 2.162 -12.356 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.694 -2.462 -12.716 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.596 0.413 -13.485 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.647 -2.239 -14.722 1.00 0.00 H new ATOM 203 N ASP A 18 -11.175 3.282 -10.784 1.00 0.00 N ATOM 204 CA ASP A 18 -11.977 4.397 -10.202 1.00 0.00 C ATOM 205 C ASP A 18 -13.252 3.850 -9.562 1.00 0.00 C ATOM 206 O ASP A 18 -13.948 4.543 -8.849 1.00 0.00 O ATOM 207 CB ASP A 18 -12.316 5.302 -11.385 1.00 0.00 C ATOM 208 CG ASP A 18 -11.224 6.363 -11.544 1.00 0.00 C ATOM 209 OD1 ASP A 18 -10.233 6.071 -12.193 1.00 0.00 O ATOM 210 OD2 ASP A 18 -11.397 7.447 -11.012 1.00 0.00 O ATOM 0 H ASP A 18 -11.187 3.229 -11.803 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.435 4.933 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.399 4.711 -12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.282 5.780 -11.226 1.00 0.00 H new ATOM 215 N ALA A 19 -13.548 2.600 -9.786 1.00 0.00 N ATOM 216 CA ALA A 19 -14.758 2.000 -9.162 1.00 0.00 C ATOM 217 C ALA A 19 -14.325 1.394 -7.841 1.00 0.00 C ATOM 218 O ALA A 19 -15.048 1.378 -6.865 1.00 0.00 O ATOM 219 CB ALA A 19 -15.226 0.918 -10.131 1.00 0.00 C ATOM 0 H ALA A 19 -13.004 1.969 -10.374 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.560 2.714 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.117 0.433 -9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.459 1.369 -11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.436 0.177 -10.258 1.00 0.00 H new ATOM 225 N ILE A 20 -13.113 0.931 -7.817 1.00 0.00 N ATOM 226 CA ILE A 20 -12.542 0.352 -6.587 1.00 0.00 C ATOM 227 C ILE A 20 -12.038 1.501 -5.722 1.00 0.00 C ATOM 228 O ILE A 20 -12.129 1.482 -4.511 1.00 0.00 O ATOM 229 CB ILE A 20 -11.383 -0.498 -7.092 1.00 0.00 C ATOM 230 CG1 ILE A 20 -11.920 -1.755 -7.780 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.497 -0.891 -5.924 1.00 0.00 C ATOM 232 CD1 ILE A 20 -10.805 -2.393 -8.612 1.00 0.00 C ATOM 0 H ILE A 20 -12.483 0.932 -8.619 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.243 -0.234 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.800 0.078 -7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.284 -2.463 -7.036 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.766 -1.500 -8.419 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.668 -1.499 -6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.107 0.007 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.079 -1.463 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.185 -3.289 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.462 -1.684 -9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.973 -2.661 -7.961 1.00 0.00 H new ATOM 244 N PHE A 21 -11.528 2.521 -6.357 1.00 0.00 N ATOM 245 CA PHE A 21 -11.037 3.703 -5.607 1.00 0.00 C ATOM 246 C PHE A 21 -12.244 4.464 -5.057 1.00 0.00 C ATOM 247 O PHE A 21 -12.227 4.982 -3.958 1.00 0.00 O ATOM 248 CB PHE A 21 -10.264 4.530 -6.649 1.00 0.00 C ATOM 249 CG PHE A 21 -10.433 6.009 -6.385 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.629 6.646 -6.737 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.398 6.739 -5.792 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.789 8.015 -6.495 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.559 8.108 -5.548 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.755 8.746 -5.900 1.00 0.00 C ATOM 0 H PHE A 21 -11.431 2.583 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.400 3.457 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.206 4.268 -6.618 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.622 4.290 -7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.428 6.081 -7.195 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.475 6.247 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.711 8.507 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.761 8.672 -5.088 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.879 9.802 -5.712 1.00 0.00 H new ATOM 264 N ASP A 22 -13.298 4.520 -5.821 1.00 0.00 N ATOM 265 CA ASP A 22 -14.522 5.229 -5.360 1.00 0.00 C ATOM 266 C ASP A 22 -15.419 4.259 -4.586 1.00 0.00 C ATOM 267 O ASP A 22 -16.486 4.616 -4.126 1.00 0.00 O ATOM 268 CB ASP A 22 -15.211 5.704 -6.637 1.00 0.00 C ATOM 269 CG ASP A 22 -16.585 6.282 -6.294 1.00 0.00 C ATOM 270 OD1 ASP A 22 -16.649 7.133 -5.420 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.552 5.865 -6.910 1.00 0.00 O ATOM 0 H ASP A 22 -13.364 4.103 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.299 6.061 -4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.601 6.459 -7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.318 4.874 -7.335 1.00 0.00 H new ATOM 276 N SER A 23 -14.982 3.038 -4.420 1.00 0.00 N ATOM 277 CA SER A 23 -15.794 2.051 -3.654 1.00 0.00 C ATOM 278 C SER A 23 -15.410 2.140 -2.179 1.00 0.00 C ATOM 279 O SER A 23 -16.020 1.532 -1.321 1.00 0.00 O ATOM 280 CB SER A 23 -15.419 0.688 -4.234 1.00 0.00 C ATOM 281 OG SER A 23 -16.471 0.230 -5.075 1.00 0.00 O ATOM 0 H SER A 23 -14.097 2.683 -4.783 1.00 0.00 H new ATOM 0 HA SER A 23 -16.867 2.227 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.491 0.764 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.243 -0.027 -3.430 1.00 0.00 H new ATOM 0 HG SER A 23 -16.301 0.516 -5.997 1.00 0.00 H new ATOM 287 N LEU A 24 -14.399 2.912 -1.885 1.00 0.00 N ATOM 288 CA LEU A 24 -13.951 3.079 -0.473 1.00 0.00 C ATOM 289 C LEU A 24 -14.341 4.471 0.023 1.00 0.00 C ATOM 290 O LEU A 24 -14.188 4.789 1.186 1.00 0.00 O ATOM 291 CB LEU A 24 -12.421 2.966 -0.490 1.00 0.00 C ATOM 292 CG LEU A 24 -11.928 2.140 -1.678 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.409 2.260 -1.768 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.296 0.676 -1.473 1.00 0.00 C ATOM 0 H LEU A 24 -13.859 3.440 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.405 2.333 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.983 3.963 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.080 2.508 0.438 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.391 2.507 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.047 1.674 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.134 3.306 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.959 1.886 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.943 0.090 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.830 0.308 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.379 0.581 -1.392 1.00 0.00 H new ATOM 306 N SER A 25 -14.814 5.305 -0.875 1.00 0.00 N ATOM 307 CA SER A 25 -15.208 6.711 -0.521 1.00 0.00 C ATOM 308 C SER A 25 -13.978 7.618 -0.578 1.00 0.00 C ATOM 309 O SER A 25 -13.221 7.707 0.368 1.00 0.00 O ATOM 310 CB SER A 25 -15.789 6.667 0.896 1.00 0.00 C ATOM 311 OG SER A 25 -16.523 5.461 1.064 1.00 0.00 O ATOM 0 H SER A 25 -14.946 5.066 -1.858 1.00 0.00 H new ATOM 0 HA SER A 25 -15.944 7.109 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.987 6.724 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.437 7.527 1.063 1.00 0.00 H new ATOM 0 HG SER A 25 -15.972 4.807 1.543 1.00 0.00 H new ATOM 317 N PRO A 26 -13.823 8.259 -1.705 1.00 0.00 N ATOM 318 CA PRO A 26 -12.673 9.172 -1.922 1.00 0.00 C ATOM 319 C PRO A 26 -12.848 10.451 -1.108 1.00 0.00 C ATOM 320 O PRO A 26 -13.947 10.920 -0.889 1.00 0.00 O ATOM 321 CB PRO A 26 -12.736 9.477 -3.416 1.00 0.00 C ATOM 322 CG PRO A 26 -14.166 9.267 -3.787 1.00 0.00 C ATOM 323 CD PRO A 26 -14.701 8.193 -2.877 1.00 0.00 C ATOM 0 HA PRO A 26 -11.721 8.739 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.419 10.499 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.079 8.817 -3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.734 10.190 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.254 8.967 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.741 8.378 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.663 7.212 -3.351 1.00 0.00 H new ATOM 331 N VAL A 27 -11.768 11.019 -0.668 1.00 0.00 N ATOM 332 CA VAL A 27 -11.854 12.275 0.121 1.00 0.00 C ATOM 333 C VAL A 27 -11.249 13.416 -0.690 1.00 0.00 C ATOM 334 O VAL A 27 -10.050 13.603 -0.714 1.00 0.00 O ATOM 335 CB VAL A 27 -11.039 12.002 1.383 1.00 0.00 C ATOM 336 CG1 VAL A 27 -11.143 13.201 2.326 1.00 0.00 C ATOM 337 CG2 VAL A 27 -11.592 10.754 2.076 1.00 0.00 C ATOM 0 H VAL A 27 -10.823 10.667 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.877 12.561 0.366 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.994 11.842 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.561 13.007 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.755 14.090 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.187 13.362 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.015 10.553 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.636 10.918 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.520 9.901 1.401 1.00 0.00 H new ATOM 347 N ASN A 28 -12.070 14.165 -1.374 1.00 0.00 N ATOM 348 CA ASN A 28 -11.543 15.279 -2.209 1.00 0.00 C ATOM 349 C ASN A 28 -10.710 14.703 -3.359 1.00 0.00 C ATOM 350 O ASN A 28 -10.033 15.419 -4.070 1.00 0.00 O ATOM 351 CB ASN A 28 -10.672 16.111 -1.266 1.00 0.00 C ATOM 352 CG ASN A 28 -10.381 17.465 -1.911 1.00 0.00 C ATOM 353 OD1 ASN A 28 -10.889 18.481 -1.478 1.00 0.00 O ATOM 354 ND2 ASN A 28 -9.576 17.522 -2.935 1.00 0.00 N ATOM 0 H ASN A 28 -13.084 14.053 -1.390 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.334 15.884 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.180 16.251 -0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.739 15.587 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.372 18.420 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.150 16.669 -3.297 1.00 0.00 H new ATOM 361 N GLY A 29 -10.760 13.408 -3.545 1.00 0.00 N ATOM 362 CA GLY A 29 -9.977 12.774 -4.645 1.00 0.00 C ATOM 363 C GLY A 29 -8.810 11.981 -4.054 1.00 0.00 C ATOM 364 O GLY A 29 -7.775 11.830 -4.670 1.00 0.00 O ATOM 0 H GLY A 29 -11.311 12.762 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.619 12.114 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.602 13.539 -5.326 1.00 0.00 H new ATOM 368 N PHE A 30 -8.961 11.481 -2.855 1.00 0.00 N ATOM 369 CA PHE A 30 -7.849 10.712 -2.225 1.00 0.00 C ATOM 370 C PHE A 30 -8.360 9.509 -1.444 1.00 0.00 C ATOM 371 O PHE A 30 -9.355 9.572 -0.749 1.00 0.00 O ATOM 372 CB PHE A 30 -7.191 11.695 -1.263 1.00 0.00 C ATOM 373 CG PHE A 30 -6.642 12.839 -2.063 1.00 0.00 C ATOM 374 CD1 PHE A 30 -5.831 12.577 -3.166 1.00 0.00 C ATOM 375 CD2 PHE A 30 -6.956 14.154 -1.714 1.00 0.00 C ATOM 376 CE1 PHE A 30 -5.327 13.636 -3.929 1.00 0.00 C ATOM 377 CE2 PHE A 30 -6.453 15.216 -2.473 1.00 0.00 C ATOM 378 CZ PHE A 30 -5.639 14.958 -3.582 1.00 0.00 C ATOM 0 H PHE A 30 -9.803 11.572 -2.287 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.168 10.324 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.916 12.055 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.394 11.204 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.592 11.558 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.586 14.351 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.699 13.435 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.693 16.234 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.252 15.777 -4.170 1.00 0.00 H new ATOM 388 N LEU A 31 -7.647 8.425 -1.516 1.00 0.00 N ATOM 389 CA LEU A 31 -8.038 7.221 -0.736 1.00 0.00 C ATOM 390 C LEU A 31 -6.978 6.994 0.325 1.00 0.00 C ATOM 391 O LEU A 31 -5.802 7.149 0.075 1.00 0.00 O ATOM 392 CB LEU A 31 -8.047 6.043 -1.707 1.00 0.00 C ATOM 393 CG LEU A 31 -9.367 5.967 -2.466 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.488 4.567 -3.046 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.549 6.218 -1.526 1.00 0.00 C ATOM 0 H LEU A 31 -6.806 8.319 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.014 7.335 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.223 6.144 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.885 5.115 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.382 6.725 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.425 4.481 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.652 4.379 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.474 3.836 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.480 6.159 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.553 5.465 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.456 7.209 -1.081 1.00 0.00 H new ATOM 407 N SER A 32 -7.370 6.634 1.502 1.00 0.00 N ATOM 408 CA SER A 32 -6.359 6.410 2.562 1.00 0.00 C ATOM 409 C SER A 32 -5.943 4.949 2.593 1.00 0.00 C ATOM 410 O SER A 32 -6.736 4.066 2.356 1.00 0.00 O ATOM 411 CB SER A 32 -7.050 6.808 3.866 1.00 0.00 C ATOM 412 OG SER A 32 -7.883 5.742 4.302 1.00 0.00 O ATOM 0 H SER A 32 -8.340 6.485 1.779 1.00 0.00 H new ATOM 0 HA SER A 32 -5.451 6.990 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.307 7.039 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.643 7.710 3.716 1.00 0.00 H new ATOM 0 HG SER A 32 -8.521 6.076 4.967 1.00 0.00 H new ATOM 418 N GLY A 33 -4.700 4.691 2.884 1.00 0.00 N ATOM 419 CA GLY A 33 -4.229 3.276 2.942 1.00 0.00 C ATOM 420 C GLY A 33 -5.289 2.434 3.657 1.00 0.00 C ATOM 421 O GLY A 33 -5.429 1.251 3.417 1.00 0.00 O ATOM 0 H GLY A 33 -3.990 5.395 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.058 2.893 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.278 3.216 3.472 1.00 0.00 H new ATOM 425 N ASP A 34 -6.046 3.048 4.530 1.00 0.00 N ATOM 426 CA ASP A 34 -7.113 2.305 5.261 1.00 0.00 C ATOM 427 C ASP A 34 -8.165 1.792 4.272 1.00 0.00 C ATOM 428 O ASP A 34 -8.825 0.800 4.513 1.00 0.00 O ATOM 429 CB ASP A 34 -7.725 3.331 6.217 1.00 0.00 C ATOM 430 CG ASP A 34 -6.627 3.929 7.098 1.00 0.00 C ATOM 431 OD1 ASP A 34 -5.914 3.163 7.726 1.00 0.00 O ATOM 432 OD2 ASP A 34 -6.516 5.144 7.130 1.00 0.00 O ATOM 0 H ASP A 34 -5.969 4.037 4.768 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.726 1.436 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.221 4.120 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.485 2.857 6.837 1.00 0.00 H new ATOM 437 N LYS A 35 -8.313 2.448 3.153 1.00 0.00 N ATOM 438 CA LYS A 35 -9.298 1.992 2.144 1.00 0.00 C ATOM 439 C LYS A 35 -8.574 1.124 1.125 1.00 0.00 C ATOM 440 O LYS A 35 -9.099 0.148 0.627 1.00 0.00 O ATOM 441 CB LYS A 35 -9.813 3.275 1.494 1.00 0.00 C ATOM 442 CG LYS A 35 -10.775 3.977 2.450 1.00 0.00 C ATOM 443 CD LYS A 35 -11.349 5.221 1.772 1.00 0.00 C ATOM 444 CE LYS A 35 -11.974 6.135 2.827 1.00 0.00 C ATOM 445 NZ LYS A 35 -11.232 7.422 2.710 1.00 0.00 N ATOM 0 H LYS A 35 -7.788 3.285 2.897 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.114 1.405 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.979 3.933 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.319 3.043 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.581 3.300 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.255 4.256 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.562 5.752 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.099 4.933 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.040 6.276 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.874 5.711 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.616 8.107 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.224 7.261 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.337 7.797 1.746 1.00 0.00 H new ATOM 459 N VAL A 36 -7.356 1.476 0.825 1.00 0.00 N ATOM 460 CA VAL A 36 -6.568 0.678 -0.150 1.00 0.00 C ATOM 461 C VAL A 36 -6.038 -0.593 0.513 1.00 0.00 C ATOM 462 O VAL A 36 -6.152 -1.677 -0.022 1.00 0.00 O ATOM 463 CB VAL A 36 -5.401 1.574 -0.542 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.498 0.821 -1.516 1.00 0.00 C ATOM 465 CG2 VAL A 36 -5.932 2.852 -1.195 1.00 0.00 C ATOM 0 H VAL A 36 -6.872 2.285 1.215 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.169 0.375 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.828 1.845 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.660 1.457 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.121 -0.083 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.067 0.551 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.095 3.492 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.506 2.594 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.574 3.381 -0.490 1.00 0.00 H new ATOM 475 N LYS A 37 -5.441 -0.453 1.667 1.00 0.00 N ATOM 476 CA LYS A 37 -4.872 -1.634 2.377 1.00 0.00 C ATOM 477 C LYS A 37 -5.740 -2.883 2.164 1.00 0.00 C ATOM 478 O LYS A 37 -5.256 -3.895 1.697 1.00 0.00 O ATOM 479 CB LYS A 37 -4.837 -1.235 3.856 1.00 0.00 C ATOM 480 CG LYS A 37 -4.696 -2.489 4.725 1.00 0.00 C ATOM 481 CD LYS A 37 -4.150 -2.104 6.102 1.00 0.00 C ATOM 482 CE LYS A 37 -4.188 -3.325 7.024 1.00 0.00 C ATOM 483 NZ LYS A 37 -5.628 -3.501 7.365 1.00 0.00 N ATOM 0 H LYS A 37 -5.323 0.437 2.151 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.881 -1.891 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.003 -0.557 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.748 -0.698 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.663 -2.980 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.027 -3.203 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.128 -1.736 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.744 -1.295 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.789 -4.209 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.587 -3.164 7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.737 -3.543 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.174 -2.698 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.979 -4.384 6.943 1.00 0.00 H new ATOM 497 N PRO A 38 -6.998 -2.776 2.507 1.00 0.00 N ATOM 498 CA PRO A 38 -7.929 -3.921 2.334 1.00 0.00 C ATOM 499 C PRO A 38 -8.135 -4.210 0.846 1.00 0.00 C ATOM 500 O PRO A 38 -8.264 -5.346 0.434 1.00 0.00 O ATOM 501 CB PRO A 38 -9.222 -3.432 2.986 1.00 0.00 C ATOM 502 CG PRO A 38 -9.134 -1.943 2.927 1.00 0.00 C ATOM 503 CD PRO A 38 -7.675 -1.603 3.072 1.00 0.00 C ATOM 0 HA PRO A 38 -7.565 -4.848 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.099 -3.799 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.305 -3.784 4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.530 -1.567 1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.721 -1.486 3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.419 -0.692 2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.401 -1.444 4.115 1.00 0.00 H new ATOM 511 N VAL A 39 -8.159 -3.188 0.041 1.00 0.00 N ATOM 512 CA VAL A 39 -8.347 -3.386 -1.423 1.00 0.00 C ATOM 513 C VAL A 39 -7.172 -4.186 -1.999 1.00 0.00 C ATOM 514 O VAL A 39 -7.326 -4.940 -2.940 1.00 0.00 O ATOM 515 CB VAL A 39 -8.386 -1.962 -1.991 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.931 -1.945 -3.454 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.816 -1.428 -1.906 1.00 0.00 C ATOM 0 H VAL A 39 -8.056 -2.217 0.335 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.248 -3.947 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.710 -1.336 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.967 -0.924 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.910 -2.322 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.591 -2.577 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.851 -0.416 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.480 -2.071 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.139 -1.416 -0.865 1.00 0.00 H new ATOM 527 N LEU A 40 -6.002 -4.029 -1.444 1.00 0.00 N ATOM 528 CA LEU A 40 -4.826 -4.780 -1.967 1.00 0.00 C ATOM 529 C LEU A 40 -4.706 -6.128 -1.257 1.00 0.00 C ATOM 530 O LEU A 40 -4.169 -7.078 -1.791 1.00 0.00 O ATOM 531 CB LEU A 40 -3.617 -3.898 -1.659 1.00 0.00 C ATOM 532 CG LEU A 40 -3.930 -2.453 -2.038 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.800 -1.548 -1.542 1.00 0.00 C ATOM 534 CD2 LEU A 40 -4.050 -2.349 -3.559 1.00 0.00 C ATOM 0 H LEU A 40 -5.809 -3.415 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.911 -4.989 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.368 -3.961 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.747 -4.250 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.869 -2.141 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.018 -0.514 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.715 -1.632 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.861 -1.852 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.274 -1.319 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.110 -2.653 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.852 -3.001 -3.906 1.00 0.00 H new ATOM 546 N LEU A 41 -5.217 -6.228 -0.061 1.00 0.00 N ATOM 547 CA LEU A 41 -5.145 -7.522 0.664 1.00 0.00 C ATOM 548 C LEU A 41 -6.156 -8.486 0.061 1.00 0.00 C ATOM 549 O LEU A 41 -6.140 -9.672 0.324 1.00 0.00 O ATOM 550 CB LEU A 41 -5.517 -7.197 2.107 1.00 0.00 C ATOM 551 CG LEU A 41 -4.415 -6.347 2.728 1.00 0.00 C ATOM 552 CD1 LEU A 41 -4.966 -5.638 3.964 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.245 -7.250 3.125 1.00 0.00 C ATOM 0 H LEU A 41 -5.679 -5.471 0.442 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.161 -7.986 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.467 -6.663 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.649 -8.116 2.677 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.068 -5.604 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.182 -5.028 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.802 -5.000 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.308 -6.379 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.454 -6.646 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.586 -7.991 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.860 -7.757 2.240 1.00 0.00 H new ATOM 565 N ASN A 42 -7.041 -7.979 -0.752 1.00 0.00 N ATOM 566 CA ASN A 42 -8.055 -8.861 -1.376 1.00 0.00 C ATOM 567 C ASN A 42 -7.467 -9.519 -2.629 1.00 0.00 C ATOM 568 O ASN A 42 -8.063 -10.394 -3.226 1.00 0.00 O ATOM 569 CB ASN A 42 -9.217 -7.936 -1.742 1.00 0.00 C ATOM 570 CG ASN A 42 -10.546 -8.645 -1.474 1.00 0.00 C ATOM 571 OD1 ASN A 42 -10.569 -9.733 -0.936 1.00 0.00 O ATOM 572 ND2 ASN A 42 -11.662 -8.069 -1.832 1.00 0.00 N ATOM 0 H ASN A 42 -7.102 -6.994 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.376 -9.664 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.160 -7.017 -1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.151 -7.652 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.554 -8.533 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.642 -7.155 -2.284 1.00 0.00 H new ATOM 579 N SER A 43 -6.296 -9.099 -3.028 1.00 0.00 N ATOM 580 CA SER A 43 -5.654 -9.687 -4.237 1.00 0.00 C ATOM 581 C SER A 43 -4.900 -10.968 -3.866 1.00 0.00 C ATOM 582 O SER A 43 -4.081 -11.458 -4.616 1.00 0.00 O ATOM 583 CB SER A 43 -4.680 -8.615 -4.720 1.00 0.00 C ATOM 584 OG SER A 43 -3.366 -8.942 -4.286 1.00 0.00 O ATOM 0 H SER A 43 -5.754 -8.369 -2.565 1.00 0.00 H new ATOM 0 HA SER A 43 -6.380 -9.958 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.709 -8.545 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.972 -7.640 -4.330 1.00 0.00 H new ATOM 0 HG SER A 43 -2.967 -8.167 -3.839 1.00 0.00 H new ATOM 590 N LYS A 44 -5.165 -11.511 -2.710 1.00 0.00 N ATOM 591 CA LYS A 44 -4.457 -12.756 -2.295 1.00 0.00 C ATOM 592 C LYS A 44 -2.945 -12.524 -2.299 1.00 0.00 C ATOM 593 O LYS A 44 -2.165 -13.453 -2.369 1.00 0.00 O ATOM 594 CB LYS A 44 -4.841 -13.799 -3.343 1.00 0.00 C ATOM 595 CG LYS A 44 -4.956 -15.170 -2.678 1.00 0.00 C ATOM 596 CD LYS A 44 -5.858 -16.071 -3.523 1.00 0.00 C ATOM 597 CE LYS A 44 -5.420 -16.001 -4.988 1.00 0.00 C ATOM 598 NZ LYS A 44 -6.502 -15.246 -5.679 1.00 0.00 N ATOM 0 H LYS A 44 -5.839 -11.148 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.730 -13.072 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.788 -13.529 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.092 -13.828 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.969 -15.620 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.366 -15.066 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.802 -17.099 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.897 -15.756 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.460 -15.495 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.301 -16.998 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.163 -15.915 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.014 -14.661 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.086 -14.634 -6.410 1.00 0.00 H new ATOM 612 N LEU A 45 -2.528 -11.293 -2.223 1.00 0.00 N ATOM 613 CA LEU A 45 -1.066 -11.000 -2.220 1.00 0.00 C ATOM 614 C LEU A 45 -0.585 -10.753 -0.791 1.00 0.00 C ATOM 615 O LEU A 45 -1.346 -10.328 0.057 1.00 0.00 O ATOM 616 CB LEU A 45 -0.913 -9.730 -3.054 1.00 0.00 C ATOM 617 CG LEU A 45 -0.796 -10.091 -4.533 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.666 -8.807 -5.353 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.443 -10.966 -4.756 1.00 0.00 C ATOM 0 H LEU A 45 -3.135 -10.475 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.480 -11.826 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.771 -9.076 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.029 -9.179 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.684 -10.641 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.582 -9.058 -6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.547 -8.185 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.224 -8.262 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.523 -11.221 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.334 -10.420 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.354 -11.879 -4.168 1.00 0.00 H new ATOM 631 N PRO A 46 0.669 -11.025 -0.573 1.00 0.00 N ATOM 632 CA PRO A 46 1.263 -10.826 0.764 1.00 0.00 C ATOM 633 C PRO A 46 1.504 -9.333 1.015 1.00 0.00 C ATOM 634 O PRO A 46 1.242 -8.502 0.172 1.00 0.00 O ATOM 635 CB PRO A 46 2.575 -11.598 0.688 1.00 0.00 C ATOM 636 CG PRO A 46 2.926 -11.649 -0.763 1.00 0.00 C ATOM 637 CD PRO A 46 1.641 -11.538 -1.542 1.00 0.00 C ATOM 0 HA PRO A 46 0.628 -11.169 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.356 -11.101 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.464 -12.601 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.604 -10.836 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.440 -12.580 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.749 -10.864 -2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.333 -12.505 -1.940 1.00 0.00 H new ATOM 645 N VAL A 47 2.002 -8.994 2.169 1.00 0.00 N ATOM 646 CA VAL A 47 2.266 -7.567 2.490 1.00 0.00 C ATOM 647 C VAL A 47 3.529 -7.108 1.757 1.00 0.00 C ATOM 648 O VAL A 47 3.913 -5.957 1.816 1.00 0.00 O ATOM 649 CB VAL A 47 2.464 -7.563 4.013 1.00 0.00 C ATOM 650 CG1 VAL A 47 3.321 -6.370 4.448 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.099 -7.479 4.697 1.00 0.00 C ATOM 0 H VAL A 47 2.240 -9.652 2.911 1.00 0.00 H new ATOM 0 HA VAL A 47 1.468 -6.891 2.185 1.00 0.00 H new ATOM 0 HB VAL A 47 2.975 -8.482 4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.447 -6.388 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.298 -6.429 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.829 -5.443 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.234 -7.476 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.595 -6.562 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.494 -8.339 4.409 1.00 0.00 H new ATOM 661 N ASP A 48 4.172 -8.004 1.052 1.00 0.00 N ATOM 662 CA ASP A 48 5.401 -7.622 0.308 1.00 0.00 C ATOM 663 C ASP A 48 5.010 -7.017 -1.038 1.00 0.00 C ATOM 664 O ASP A 48 5.645 -6.104 -1.529 1.00 0.00 O ATOM 665 CB ASP A 48 6.176 -8.922 0.115 1.00 0.00 C ATOM 666 CG ASP A 48 7.616 -8.604 -0.294 1.00 0.00 C ATOM 667 OD1 ASP A 48 7.791 -7.789 -1.185 1.00 0.00 O ATOM 668 OD2 ASP A 48 8.518 -9.180 0.291 1.00 0.00 O ATOM 0 H ASP A 48 3.896 -8.982 0.962 1.00 0.00 H new ATOM 0 HA ASP A 48 6.000 -6.880 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.169 -9.502 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.696 -9.533 -0.650 1.00 0.00 H new ATOM 673 N ILE A 49 3.950 -7.502 -1.626 1.00 0.00 N ATOM 674 CA ILE A 49 3.502 -6.931 -2.923 1.00 0.00 C ATOM 675 C ILE A 49 2.721 -5.660 -2.646 1.00 0.00 C ATOM 676 O ILE A 49 2.850 -4.664 -3.327 1.00 0.00 O ATOM 677 CB ILE A 49 2.579 -7.969 -3.555 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.163 -9.364 -3.373 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.439 -7.668 -5.045 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.593 -9.388 -3.897 1.00 0.00 C ATOM 0 H ILE A 49 3.379 -8.266 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 49 4.340 -6.699 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 49 1.602 -7.927 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.146 -9.642 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.557 -10.096 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.781 -8.405 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.016 -6.672 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.420 -7.712 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.011 -10.386 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.597 -9.128 -4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.195 -8.667 -3.344 1.00 0.00 H new ATOM 692 N LEU A 50 1.916 -5.695 -1.625 1.00 0.00 N ATOM 693 CA LEU A 50 1.121 -4.498 -1.266 1.00 0.00 C ATOM 694 C LEU A 50 2.057 -3.442 -0.685 1.00 0.00 C ATOM 695 O LEU A 50 1.816 -2.256 -0.787 1.00 0.00 O ATOM 696 CB LEU A 50 0.132 -4.981 -0.211 1.00 0.00 C ATOM 697 CG LEU A 50 -0.576 -6.247 -0.700 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.633 -6.665 0.322 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.247 -5.980 -2.049 1.00 0.00 C ATOM 0 H LEU A 50 1.775 -6.506 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 50 0.606 -4.054 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.655 -5.184 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.601 -4.201 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 50 0.156 -7.046 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.138 -7.566 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.154 -6.864 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.362 -5.863 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.749 -6.885 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.978 -5.179 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.493 -5.686 -2.779 1.00 0.00 H new ATOM 711 N GLY A 51 3.141 -3.871 -0.097 1.00 0.00 N ATOM 712 CA GLY A 51 4.113 -2.896 0.467 1.00 0.00 C ATOM 713 C GLY A 51 4.782 -2.184 -0.696 1.00 0.00 C ATOM 714 O GLY A 51 5.247 -1.069 -0.586 1.00 0.00 O ATOM 0 H GLY A 51 3.394 -4.853 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.605 -2.180 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.855 -3.407 1.080 1.00 0.00 H new ATOM 718 N ARG A 52 4.817 -2.832 -1.821 1.00 0.00 N ATOM 719 CA ARG A 52 5.432 -2.219 -3.025 1.00 0.00 C ATOM 720 C ARG A 52 4.342 -1.686 -3.948 1.00 0.00 C ATOM 721 O ARG A 52 4.526 -0.707 -4.643 1.00 0.00 O ATOM 722 CB ARG A 52 6.191 -3.353 -3.702 1.00 0.00 C ATOM 723 CG ARG A 52 7.679 -3.245 -3.371 1.00 0.00 C ATOM 724 CD ARG A 52 8.470 -4.201 -4.267 1.00 0.00 C ATOM 725 NE ARG A 52 8.636 -5.440 -3.458 1.00 0.00 N ATOM 726 CZ ARG A 52 9.793 -5.725 -2.927 1.00 0.00 C ATOM 727 NH1 ARG A 52 10.679 -6.395 -3.614 1.00 0.00 N ATOM 728 NH2 ARG A 52 10.065 -5.341 -1.710 1.00 0.00 N ATOM 0 H ARG A 52 4.442 -3.770 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 52 6.086 -1.382 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.803 -4.315 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.044 -3.309 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.023 -2.221 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.848 -3.488 -2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.936 -4.404 -5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.436 -3.777 -4.541 1.00 0.00 H new ATOM 0 HE ARG A 52 7.844 -6.067 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.466 -6.695 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.584 -6.618 -3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.373 -4.818 -1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.970 -5.564 -1.295 1.00 0.00 H new ATOM 742 N VAL A 53 3.200 -2.317 -3.957 1.00 0.00 N ATOM 743 CA VAL A 53 2.107 -1.830 -4.839 1.00 0.00 C ATOM 744 C VAL A 53 1.620 -0.479 -4.334 1.00 0.00 C ATOM 745 O VAL A 53 1.295 0.399 -5.106 1.00 0.00 O ATOM 746 CB VAL A 53 1.016 -2.893 -4.742 1.00 0.00 C ATOM 747 CG1 VAL A 53 -0.332 -2.306 -5.172 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.384 -4.059 -5.661 1.00 0.00 C ATOM 0 H VAL A 53 2.979 -3.141 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 53 2.420 -1.687 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 53 0.934 -3.239 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.103 -3.073 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.589 -1.470 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.265 -1.956 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.612 -4.827 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.463 -3.702 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.340 -4.480 -5.349 1.00 0.00 H new ATOM 758 N TRP A 54 1.578 -0.294 -3.044 1.00 0.00 N ATOM 759 CA TRP A 54 1.125 1.017 -2.515 1.00 0.00 C ATOM 760 C TRP A 54 2.233 2.057 -2.689 1.00 0.00 C ATOM 761 O TRP A 54 2.004 3.129 -3.203 1.00 0.00 O ATOM 762 CB TRP A 54 0.832 0.812 -1.023 1.00 0.00 C ATOM 763 CG TRP A 54 0.854 2.151 -0.356 1.00 0.00 C ATOM 764 CD1 TRP A 54 1.978 2.824 -0.027 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.262 3.001 0.034 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.630 4.035 0.528 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.260 4.188 0.599 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.660 2.860 -0.044 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.575 5.201 1.069 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.502 3.880 0.430 1.00 0.00 C ATOM 771 CH2 TRP A 54 -1.961 5.045 0.984 1.00 0.00 C ATOM 0 H TRP A 54 1.835 -0.987 -2.342 1.00 0.00 H new ATOM 0 HA TRP A 54 0.241 1.372 -3.045 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.139 0.336 -0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.576 0.152 -0.576 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.987 2.469 -0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.302 4.733 0.847 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.087 1.964 -0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.154 6.099 1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.574 3.764 0.366 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.615 5.824 1.346 1.00 0.00 H new ATOM 782 N GLU A 55 3.428 1.764 -2.245 1.00 0.00 N ATOM 783 CA GLU A 55 4.519 2.769 -2.382 1.00 0.00 C ATOM 784 C GLU A 55 4.686 3.130 -3.851 1.00 0.00 C ATOM 785 O GLU A 55 4.586 4.277 -4.238 1.00 0.00 O ATOM 786 CB GLU A 55 5.774 2.089 -1.845 1.00 0.00 C ATOM 787 CG GLU A 55 5.590 1.768 -0.363 1.00 0.00 C ATOM 788 CD GLU A 55 6.938 1.375 0.245 1.00 0.00 C ATOM 789 OE1 GLU A 55 7.459 0.340 -0.138 1.00 0.00 O ATOM 790 OE2 GLU A 55 7.426 2.117 1.081 1.00 0.00 O ATOM 0 H GLU A 55 3.692 0.885 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 55 4.310 3.690 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.971 1.174 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.638 2.739 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.182 2.633 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.874 0.955 -0.242 1.00 0.00 H new ATOM 797 N LEU A 56 4.912 2.152 -4.672 1.00 0.00 N ATOM 798 CA LEU A 56 5.059 2.421 -6.123 1.00 0.00 C ATOM 799 C LEU A 56 3.767 3.073 -6.634 1.00 0.00 C ATOM 800 O LEU A 56 3.737 3.692 -7.679 1.00 0.00 O ATOM 801 CB LEU A 56 5.302 1.043 -6.739 1.00 0.00 C ATOM 802 CG LEU A 56 6.556 0.433 -6.097 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.506 -1.089 -6.222 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.809 0.967 -6.801 1.00 0.00 C ATOM 0 H LEU A 56 5.002 1.173 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 56 5.871 3.104 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.440 0.397 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.433 1.129 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 56 6.592 0.708 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.397 -1.521 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.619 -1.467 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.467 -1.366 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.697 0.532 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.776 0.697 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.846 2.052 -6.705 1.00 0.00 H new ATOM 816 N SER A 57 2.708 2.965 -5.870 1.00 0.00 N ATOM 817 CA SER A 57 1.418 3.606 -6.264 1.00 0.00 C ATOM 818 C SER A 57 1.332 4.981 -5.597 1.00 0.00 C ATOM 819 O SER A 57 0.665 5.879 -6.069 1.00 0.00 O ATOM 820 CB SER A 57 0.325 2.690 -5.717 1.00 0.00 C ATOM 821 OG SER A 57 -0.895 3.416 -5.639 1.00 0.00 O ATOM 0 H SER A 57 2.683 2.457 -4.986 1.00 0.00 H new ATOM 0 HA SER A 57 1.324 3.739 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.205 1.821 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.605 2.318 -4.731 1.00 0.00 H new ATOM 0 HG SER A 57 -1.109 3.792 -6.518 1.00 0.00 H new ATOM 827 N ASP A 58 2.017 5.134 -4.496 1.00 0.00 N ATOM 828 CA ASP A 58 2.007 6.431 -3.765 1.00 0.00 C ATOM 829 C ASP A 58 2.845 7.459 -4.526 1.00 0.00 C ATOM 830 O ASP A 58 4.056 7.480 -4.430 1.00 0.00 O ATOM 831 CB ASP A 58 2.642 6.120 -2.408 1.00 0.00 C ATOM 832 CG ASP A 58 1.998 6.993 -1.329 1.00 0.00 C ATOM 833 OD1 ASP A 58 1.547 8.076 -1.662 1.00 0.00 O ATOM 834 OD2 ASP A 58 1.967 6.561 -0.188 1.00 0.00 O ATOM 0 H ASP A 58 2.589 4.406 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 58 1.005 6.847 -3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.508 5.066 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.716 6.304 -2.447 1.00 0.00 H new ATOM 839 N ILE A 59 2.213 8.309 -5.284 1.00 0.00 N ATOM 840 CA ILE A 59 2.978 9.331 -6.051 1.00 0.00 C ATOM 841 C ILE A 59 3.217 10.570 -5.186 1.00 0.00 C ATOM 842 O ILE A 59 4.259 11.194 -5.255 1.00 0.00 O ATOM 843 CB ILE A 59 2.095 9.675 -7.248 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.572 8.388 -7.893 1.00 0.00 C ATOM 845 CG2 ILE A 59 2.919 10.455 -8.269 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.746 7.571 -8.441 1.00 0.00 C ATOM 0 H ILE A 59 1.201 8.341 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 59 3.957 8.966 -6.361 1.00 0.00 H new ATOM 0 HB ILE A 59 1.250 10.278 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.019 7.801 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.877 8.629 -8.698 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.294 10.704 -9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.291 11.372 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.761 9.846 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.370 6.656 -8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.280 8.158 -9.188 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.424 7.317 -7.626 1.00 0.00 H new ATOM 858 N ASP A 60 2.264 10.931 -4.372 1.00 0.00 N ATOM 859 CA ASP A 60 2.441 12.128 -3.503 1.00 0.00 C ATOM 860 C ASP A 60 2.909 11.693 -2.104 1.00 0.00 C ATOM 861 O ASP A 60 3.337 12.499 -1.302 1.00 0.00 O ATOM 862 CB ASP A 60 1.057 12.808 -3.486 1.00 0.00 C ATOM 863 CG ASP A 60 0.458 12.824 -2.074 1.00 0.00 C ATOM 864 OD1 ASP A 60 0.371 11.764 -1.478 1.00 0.00 O ATOM 865 OD2 ASP A 60 0.099 13.897 -1.616 1.00 0.00 O ATOM 0 H ASP A 60 1.371 10.449 -4.271 1.00 0.00 H new ATOM 0 HA ASP A 60 3.203 12.819 -3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.147 13.829 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.383 12.282 -4.163 1.00 0.00 H new ATOM 870 N HIS A 61 2.836 10.419 -1.818 1.00 0.00 N ATOM 871 CA HIS A 61 3.284 9.915 -0.484 1.00 0.00 C ATOM 872 C HIS A 61 2.508 10.590 0.652 1.00 0.00 C ATOM 873 O HIS A 61 3.080 11.000 1.642 1.00 0.00 O ATOM 874 CB HIS A 61 4.770 10.268 -0.398 1.00 0.00 C ATOM 875 CG HIS A 61 5.556 9.386 -1.327 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.168 8.428 -2.232 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 6.940 9.429 -1.394 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 6.291 7.884 -2.849 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 7.332 8.523 -2.307 1.00 0.00 N flip ATOM 0 H HIS A 61 2.484 9.703 -2.453 1.00 0.00 H new ATOM 0 HA HIS A 61 3.108 8.844 -0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.921 11.315 -0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.125 10.142 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.587 10.074 -0.817 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.316 7.112 -3.603 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.305 8.345 -2.556 1.00 0.00 H new ATOM 887 N ASP A 62 1.213 10.697 0.529 1.00 0.00 N ATOM 888 CA ASP A 62 0.416 11.331 1.618 1.00 0.00 C ATOM 889 C ASP A 62 -0.373 10.258 2.367 1.00 0.00 C ATOM 890 O ASP A 62 -1.436 10.511 2.898 1.00 0.00 O ATOM 891 CB ASP A 62 -0.537 12.298 0.917 1.00 0.00 C ATOM 892 CG ASP A 62 -1.596 11.506 0.144 1.00 0.00 C ATOM 893 OD1 ASP A 62 -1.298 10.393 -0.257 1.00 0.00 O ATOM 894 OD2 ASP A 62 -2.685 12.026 -0.033 1.00 0.00 O ATOM 0 H ASP A 62 0.674 10.374 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 62 1.045 11.845 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.017 12.947 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.019 12.942 0.236 1.00 0.00 H new ATOM 899 N GLY A 63 0.135 9.055 2.406 1.00 0.00 N ATOM 900 CA GLY A 63 -0.596 7.968 3.111 1.00 0.00 C ATOM 901 C GLY A 63 -1.949 7.766 2.433 1.00 0.00 C ATOM 902 O GLY A 63 -2.919 7.386 3.059 1.00 0.00 O ATOM 0 H GLY A 63 1.021 8.781 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.018 7.044 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.735 8.225 4.161 1.00 0.00 H new ATOM 906 N MET A 64 -2.023 8.019 1.152 1.00 0.00 N ATOM 907 CA MET A 64 -3.318 7.842 0.434 1.00 0.00 C ATOM 908 C MET A 64 -3.078 7.507 -1.039 1.00 0.00 C ATOM 909 O MET A 64 -2.033 7.790 -1.592 1.00 0.00 O ATOM 910 CB MET A 64 -4.035 9.190 0.524 1.00 0.00 C ATOM 911 CG MET A 64 -4.404 9.515 1.969 1.00 0.00 C ATOM 912 SD MET A 64 -5.127 11.169 2.046 1.00 0.00 S ATOM 913 CE MET A 64 -6.811 10.687 1.585 1.00 0.00 C ATOM 0 H MET A 64 -1.245 8.339 0.575 1.00 0.00 H new ATOM 0 HA MET A 64 -3.897 7.030 0.874 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.394 9.975 0.123 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.936 9.169 -0.090 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.112 8.779 2.350 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.519 9.463 2.603 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.415 11.581 1.429 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.783 10.102 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.249 10.088 2.383 1.00 0.00 H new ATOM 923 N LEU A 65 -4.059 6.946 -1.688 1.00 0.00 N ATOM 924 CA LEU A 65 -3.915 6.637 -3.137 1.00 0.00 C ATOM 925 C LEU A 65 -4.935 7.472 -3.913 1.00 0.00 C ATOM 926 O LEU A 65 -6.116 7.186 -3.911 1.00 0.00 O ATOM 927 CB LEU A 65 -4.211 5.143 -3.279 1.00 0.00 C ATOM 928 CG LEU A 65 -2.968 4.329 -2.907 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.184 2.868 -3.302 1.00 0.00 C ATOM 930 CD2 LEU A 65 -1.748 4.875 -3.652 1.00 0.00 C ATOM 0 H LEU A 65 -4.956 6.688 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.923 6.868 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.045 4.865 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.511 4.918 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.799 4.402 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.301 2.286 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.051 2.472 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.354 2.803 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.867 4.292 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.916 4.804 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.591 5.918 -3.377 1.00 0.00 H new ATOM 942 N ASP A 66 -4.490 8.515 -4.555 1.00 0.00 N ATOM 943 CA ASP A 66 -5.440 9.381 -5.310 1.00 0.00 C ATOM 944 C ASP A 66 -5.981 8.624 -6.524 1.00 0.00 C ATOM 945 O ASP A 66 -5.367 7.692 -7.007 1.00 0.00 O ATOM 946 CB ASP A 66 -4.630 10.606 -5.758 1.00 0.00 C ATOM 947 CG ASP A 66 -3.631 11.026 -4.671 1.00 0.00 C ATOM 948 OD1 ASP A 66 -3.763 10.562 -3.550 1.00 0.00 O ATOM 949 OD2 ASP A 66 -2.751 11.811 -4.982 1.00 0.00 O ATOM 0 H ASP A 66 -3.513 8.806 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.295 9.674 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.096 10.377 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.305 11.433 -5.977 1.00 0.00 H new ATOM 954 N ARG A 67 -7.133 9.010 -7.009 1.00 0.00 N ATOM 955 CA ARG A 67 -7.734 8.312 -8.188 1.00 0.00 C ATOM 956 C ARG A 67 -6.650 7.870 -9.177 1.00 0.00 C ATOM 957 O ARG A 67 -6.711 6.795 -9.740 1.00 0.00 O ATOM 958 CB ARG A 67 -8.653 9.348 -8.835 1.00 0.00 C ATOM 959 CG ARG A 67 -7.818 10.370 -9.608 1.00 0.00 C ATOM 960 CD ARG A 67 -8.743 11.370 -10.299 1.00 0.00 C ATOM 961 NE ARG A 67 -8.346 11.323 -11.734 1.00 0.00 N ATOM 962 CZ ARG A 67 -8.978 12.051 -12.614 1.00 0.00 C ATOM 963 NH1 ARG A 67 -8.698 13.318 -12.736 1.00 0.00 N ATOM 964 NH2 ARG A 67 -9.889 11.509 -13.374 1.00 0.00 N ATOM 0 H ARG A 67 -7.687 9.782 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.269 7.410 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.355 8.855 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.244 9.852 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.144 10.892 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.197 9.863 -10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.790 11.096 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.622 12.372 -9.887 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.578 10.720 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.984 13.742 -12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.193 13.886 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.107 10.517 -13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.383 12.077 -14.062 1.00 0.00 H new ATOM 978 N ASP A 68 -5.664 8.692 -9.393 1.00 0.00 N ATOM 979 CA ASP A 68 -4.581 8.320 -10.346 1.00 0.00 C ATOM 980 C ASP A 68 -3.567 7.409 -9.660 1.00 0.00 C ATOM 981 O ASP A 68 -3.010 6.516 -10.266 1.00 0.00 O ATOM 982 CB ASP A 68 -3.931 9.644 -10.748 1.00 0.00 C ATOM 983 CG ASP A 68 -3.319 9.506 -12.142 1.00 0.00 C ATOM 984 OD1 ASP A 68 -3.870 8.764 -12.938 1.00 0.00 O ATOM 985 OD2 ASP A 68 -2.308 10.144 -12.390 1.00 0.00 O ATOM 0 H ASP A 68 -5.560 9.606 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.961 7.777 -11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.673 10.443 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.161 9.918 -10.026 1.00 0.00 H new ATOM 990 N GLU A 69 -3.330 7.620 -8.396 1.00 0.00 N ATOM 991 CA GLU A 69 -2.360 6.751 -7.674 1.00 0.00 C ATOM 992 C GLU A 69 -2.998 5.387 -7.431 1.00 0.00 C ATOM 993 O GLU A 69 -2.382 4.356 -7.615 1.00 0.00 O ATOM 994 CB GLU A 69 -2.086 7.462 -6.351 1.00 0.00 C ATOM 995 CG GLU A 69 -1.596 8.883 -6.629 1.00 0.00 C ATOM 996 CD GLU A 69 -0.792 9.391 -5.429 1.00 0.00 C ATOM 997 OE1 GLU A 69 -0.152 8.578 -4.784 1.00 0.00 O ATOM 998 OE2 GLU A 69 -0.823 10.585 -5.179 1.00 0.00 O ATOM 0 H GLU A 69 -3.763 8.353 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.439 6.591 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.992 7.490 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.338 6.913 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.977 8.897 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.444 9.541 -6.817 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.242 5.378 -7.037 1.00 0.00 N ATOM 1006 CA PHE A 70 -4.938 4.086 -6.806 1.00 0.00 C ATOM 1007 C PHE A 70 -4.933 3.284 -8.104 1.00 0.00 C ATOM 1008 O PHE A 70 -5.054 2.076 -8.103 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.365 4.476 -6.414 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.044 3.321 -5.722 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -7.583 2.272 -6.476 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -7.142 3.302 -4.326 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -8.219 1.205 -5.833 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -7.779 2.235 -3.684 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.317 1.187 -4.436 1.00 0.00 C ATOM 0 H PHE A 70 -4.805 6.211 -6.866 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.466 3.473 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.346 5.344 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.930 4.762 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.508 2.287 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.726 4.111 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.635 0.395 -6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.855 2.221 -2.607 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.808 0.363 -3.940 1.00 0.00 H new ATOM 1025 N ALA A 71 -4.784 3.955 -9.213 1.00 0.00 N ATOM 1026 CA ALA A 71 -4.761 3.239 -10.517 1.00 0.00 C ATOM 1027 C ALA A 71 -3.434 2.500 -10.679 1.00 0.00 C ATOM 1028 O ALA A 71 -3.395 1.329 -11.004 1.00 0.00 O ATOM 1029 CB ALA A 71 -4.895 4.338 -11.572 1.00 0.00 C ATOM 0 H ALA A 71 -4.677 4.968 -9.271 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.555 2.497 -10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.886 3.891 -12.566 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.833 4.873 -11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.061 5.034 -11.480 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.346 3.174 -10.443 1.00 0.00 N ATOM 1036 CA VAL A 72 -1.018 2.513 -10.571 1.00 0.00 C ATOM 1037 C VAL A 72 -0.958 1.302 -9.633 1.00 0.00 C ATOM 1038 O VAL A 72 -0.247 0.347 -9.877 1.00 0.00 O ATOM 1039 CB VAL A 72 0.002 3.579 -10.149 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.417 3.007 -10.267 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.126 4.810 -11.056 1.00 0.00 C ATOM 0 H VAL A 72 -2.318 4.155 -10.167 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.823 2.151 -11.581 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.191 3.870 -9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.142 3.764 -9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.513 2.136 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.606 2.713 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.601 5.563 -10.752 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.062 4.521 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.132 5.221 -10.972 1.00 0.00 H new ATOM 1051 N ALA A 73 -1.695 1.346 -8.556 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.686 0.211 -7.587 1.00 0.00 C ATOM 1053 C ALA A 73 -2.781 -0.812 -7.911 1.00 0.00 C ATOM 1054 O ALA A 73 -2.849 -1.864 -7.308 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.949 0.864 -6.233 1.00 0.00 C ATOM 0 H ALA A 73 -2.306 2.123 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.745 -0.338 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.960 0.099 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.162 1.588 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.913 1.372 -6.255 1.00 0.00 H new ATOM 1061 N MET A 74 -3.642 -0.525 -8.849 1.00 0.00 N ATOM 1062 CA MET A 74 -4.719 -1.506 -9.185 1.00 0.00 C ATOM 1063 C MET A 74 -4.166 -2.559 -10.127 1.00 0.00 C ATOM 1064 O MET A 74 -4.285 -3.745 -9.890 1.00 0.00 O ATOM 1065 CB MET A 74 -5.817 -0.689 -9.869 1.00 0.00 C ATOM 1066 CG MET A 74 -6.694 -0.018 -8.811 1.00 0.00 C ATOM 1067 SD MET A 74 -7.977 -1.172 -8.270 1.00 0.00 S ATOM 1068 CE MET A 74 -7.130 -1.750 -6.781 1.00 0.00 C ATOM 0 H MET A 74 -3.649 0.337 -9.394 1.00 0.00 H new ATOM 0 HA MET A 74 -5.102 -2.024 -8.305 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.372 0.065 -10.518 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.424 -1.336 -10.502 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.085 0.290 -7.961 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.150 0.884 -9.220 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.863 -1.945 -5.998 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.585 -2.667 -7.005 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.430 -0.986 -6.441 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.527 -2.143 -11.175 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.938 -3.135 -12.096 1.00 0.00 C ATOM 1080 C PHE A 75 -1.737 -3.749 -11.378 1.00 0.00 C ATOM 1081 O PHE A 75 -1.446 -4.919 -11.506 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.537 -2.347 -13.351 1.00 0.00 C ATOM 1083 CG PHE A 75 -1.141 -1.808 -13.203 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -0.047 -2.635 -13.469 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -0.941 -0.489 -12.790 1.00 0.00 C ATOM 1086 CE1 PHE A 75 1.250 -2.147 -13.320 1.00 0.00 C ATOM 1087 CE2 PHE A 75 0.355 0.002 -12.643 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.455 -0.830 -12.909 1.00 0.00 C ATOM 0 H PHE A 75 -3.388 -1.166 -11.431 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.609 -3.945 -12.382 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.594 -2.992 -14.228 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.236 -1.526 -13.513 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.206 -3.654 -13.790 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.788 0.149 -12.585 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.095 -2.788 -13.523 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.513 1.022 -12.325 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.460 -0.450 -12.795 1.00 0.00 H new ATOM 1098 N LEU A 76 -1.068 -2.951 -10.583 1.00 0.00 N ATOM 1099 CA LEU A 76 0.091 -3.462 -9.803 1.00 0.00 C ATOM 1100 C LEU A 76 -0.380 -4.604 -8.912 1.00 0.00 C ATOM 1101 O LEU A 76 0.390 -5.445 -8.491 1.00 0.00 O ATOM 1102 CB LEU A 76 0.552 -2.273 -8.955 1.00 0.00 C ATOM 1103 CG LEU A 76 1.719 -1.570 -9.645 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.053 -0.280 -8.893 1.00 0.00 C ATOM 1105 CD2 LEU A 76 2.941 -2.493 -9.650 1.00 0.00 C ATOM 0 H LEU A 76 -1.279 -1.963 -10.443 1.00 0.00 H new ATOM 0 HA LEU A 76 0.897 -3.841 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.273 -1.575 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.855 -2.615 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 76 1.444 -1.330 -10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.886 0.223 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.183 0.376 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.329 -0.519 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.774 -1.991 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.218 -2.735 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.702 -3.411 -10.187 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.652 -4.642 -8.633 1.00 0.00 N ATOM 1118 CA VAL A 77 -2.196 -5.724 -7.787 1.00 0.00 C ATOM 1119 C VAL A 77 -2.641 -6.873 -8.678 1.00 0.00 C ATOM 1120 O VAL A 77 -2.093 -7.952 -8.634 1.00 0.00 O ATOM 1121 CB VAL A 77 -3.384 -5.086 -7.057 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -4.217 -6.174 -6.372 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.855 -4.110 -6.003 1.00 0.00 C ATOM 0 H VAL A 77 -2.338 -3.962 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.472 -6.131 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.010 -4.555 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.060 -5.715 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.588 -6.874 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.597 -6.708 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.693 -3.651 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.231 -4.648 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.263 -3.335 -6.490 1.00 0.00 H new ATOM 1133 N TYR A 78 -3.627 -6.643 -9.494 1.00 0.00 N ATOM 1134 CA TYR A 78 -4.111 -7.722 -10.390 1.00 0.00 C ATOM 1135 C TYR A 78 -2.969 -8.285 -11.237 1.00 0.00 C ATOM 1136 O TYR A 78 -3.060 -9.375 -11.764 1.00 0.00 O ATOM 1137 CB TYR A 78 -5.175 -7.067 -11.266 1.00 0.00 C ATOM 1138 CG TYR A 78 -6.498 -7.131 -10.546 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -7.015 -8.371 -10.154 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -7.199 -5.955 -10.259 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -8.239 -8.436 -9.476 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -8.422 -6.018 -9.581 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.943 -7.259 -9.189 1.00 0.00 C ATOM 1144 OH TYR A 78 -10.149 -7.321 -8.520 1.00 0.00 O ATOM 0 H TYR A 78 -4.119 -5.753 -9.579 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.513 -8.566 -9.829 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.908 -6.031 -11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.242 -7.579 -12.226 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.471 -9.277 -10.374 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.797 -4.999 -10.560 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.640 -9.393 -9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.964 -5.111 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.504 -6.415 -8.401 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.891 -7.563 -11.367 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.753 -8.085 -12.174 1.00 0.00 C ATOM 1156 C CYS A 79 0.127 -8.977 -11.301 1.00 0.00 C ATOM 1157 O CYS A 79 0.991 -9.675 -11.787 1.00 0.00 O ATOM 1158 CB CYS A 79 0.021 -6.855 -12.639 1.00 0.00 C ATOM 1159 SG CYS A 79 -0.908 -6.030 -13.955 1.00 0.00 S ATOM 0 H CYS A 79 -1.749 -6.642 -10.953 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.088 -8.684 -13.021 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.177 -6.172 -11.804 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.007 -7.146 -13.001 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.760 -5.200 -13.430 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.093 -8.970 -10.016 1.00 0.00 N ATOM 1166 CA ALA A 80 0.727 -9.830 -9.121 1.00 0.00 C ATOM 1167 C ALA A 80 0.055 -11.194 -8.982 1.00 0.00 C ATOM 1168 O ALA A 80 0.676 -12.171 -8.614 1.00 0.00 O ATOM 1169 CB ALA A 80 0.760 -9.097 -7.781 1.00 0.00 C ATOM 0 H ALA A 80 -0.804 -8.407 -9.549 1.00 0.00 H new ATOM 0 HA ALA A 80 1.734 -10.001 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.349 -9.672 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.211 -8.114 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.256 -8.982 -7.404 1.00 0.00 H new ATOM 1521 N ASN B 109 3.502 3.452 4.709 1.00 0.00 N ATOM 1522 CA ASN B 109 2.822 2.349 3.972 1.00 0.00 C ATOM 1523 C ASN B 109 2.031 1.471 4.948 1.00 0.00 C ATOM 1524 O ASN B 109 2.502 1.164 6.025 1.00 0.00 O ATOM 1525 CB ASN B 109 3.954 1.549 3.327 1.00 0.00 C ATOM 1526 CG ASN B 109 3.414 0.208 2.830 1.00 0.00 C ATOM 1527 OD1 ASN B 109 3.512 -0.791 3.515 1.00 0.00 O ATOM 1528 ND2 ASN B 109 2.847 0.141 1.658 1.00 0.00 N ATOM 0 HA ASN B 109 2.113 2.720 3.232 1.00 0.00 H new ATOM 0 HB2 ASN B 109 4.383 2.110 2.497 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.755 1.386 4.048 1.00 0.00 H new ATOM 0 HD21 ASN B 109 2.486 -0.750 1.316 1.00 0.00 H new ATOM 0 HD22 ASN B 109 2.764 0.979 1.083 1.00 0.00 H new ATOM 1535 N PRO B 110 0.849 1.101 4.534 1.00 0.00 N ATOM 1536 CA PRO B 110 -0.024 0.251 5.381 1.00 0.00 C ATOM 1537 C PRO B 110 0.502 -1.189 5.427 1.00 0.00 C ATOM 1538 O PRO B 110 0.186 -1.942 6.327 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.382 0.329 4.687 1.00 0.00 C ATOM 1540 CG PRO B 110 -1.076 0.663 3.263 1.00 0.00 C ATOM 1541 CD PRO B 110 0.219 1.436 3.252 1.00 0.00 C ATOM 0 HA PRO B 110 -0.068 0.580 6.419 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -1.918 -0.617 4.763 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -2.014 1.091 5.143 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -0.987 -0.245 2.666 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -1.880 1.254 2.826 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.849 1.146 2.411 1.00 0.00 H new ATOM 0 HD3 PRO B 110 0.042 2.508 3.163 1.00 0.00 H new ATOM 1549 N PHE B 111 1.307 -1.576 4.473 1.00 0.00 N ATOM 1550 CA PHE B 111 1.856 -2.966 4.480 1.00 0.00 C ATOM 1551 C PHE B 111 3.270 -2.962 5.066 1.00 0.00 C ATOM 1552 O PHE B 111 4.064 -3.845 4.809 1.00 0.00 O ATOM 1553 CB PHE B 111 1.878 -3.399 3.011 1.00 0.00 C ATOM 1554 CG PHE B 111 0.476 -3.343 2.463 1.00 0.00 C ATOM 1555 CD1 PHE B 111 -0.454 -4.316 2.839 1.00 0.00 C ATOM 1556 CD2 PHE B 111 0.104 -2.318 1.584 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.756 -4.269 2.337 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -1.202 -2.271 1.082 1.00 0.00 C ATOM 1559 CZ PHE B 111 -2.131 -3.247 1.458 1.00 0.00 C ATOM 0 H PHE B 111 1.608 -0.993 3.692 1.00 0.00 H new ATOM 0 HA PHE B 111 1.259 -3.646 5.088 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.534 -2.746 2.436 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.277 -4.409 2.922 1.00 0.00 H new ATOM 0 HD1 PHE B 111 -0.165 -5.105 3.518 1.00 0.00 H new ATOM 0 HD2 PHE B 111 0.823 -1.566 1.294 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -2.474 -5.022 2.627 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -1.492 -1.481 0.405 1.00 0.00 H new ATOM 0 HZ PHE B 111 -3.138 -3.212 1.070 1.00 0.00 H new