USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 45 ASN : amide:sc= -4.73! K(o=-11!,f=-1.6) USER MOD Set 1.2: A 49 ASN : amide:sc= -6.46! C(o=-11!,f=-7!) USER MOD Set 2.1: A 15 ASN : amide:sc= -4.39! C(o=-22!,f=-14!) USER MOD Set 2.2: A 16 GLN : amide:sc= -7.11! C(o=-22!,f=-16!) USER MOD Set 2.3: A 27 GLN : amide:sc= -10.1! C(o=-22!,f=-14!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.137 (180deg=-0.794) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.0495 (180deg=-0.398) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= 0.0174 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0312 (180deg=-0.315) USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= -3.4! (180deg=-6.22!) USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= -3.89! (180deg=-6.94!) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -6.02! (180deg=-7.54!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0482 (180deg=-0.303) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -3.6! (180deg=-3.79!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.0156 (180deg=-0.245) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 THR OG1 : rot 124:sc= 0.163 USER MOD Single : A 56 GLN : amide:sc= -4.07! K(o=-4.1!,f=-0.68) USER MOD Single : A 60 THR OG1 : rot 170:sc= -2.66! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.667 10.894 8.323 1.00 0.00 N ATOM 2 CA MET A 1 -7.376 9.725 7.454 1.00 0.00 C ATOM 3 C MET A 1 -7.391 8.426 8.255 1.00 0.00 C ATOM 4 O MET A 1 -8.419 7.754 8.344 1.00 0.00 O ATOM 5 CB MET A 1 -6.004 9.933 6.802 1.00 0.00 C ATOM 6 CG MET A 1 -5.936 11.160 5.908 1.00 0.00 C ATOM 7 SD MET A 1 -4.307 11.395 5.172 1.00 0.00 S ATOM 8 CE MET A 1 -3.297 11.594 6.637 1.00 0.00 C ATOM 0 H1 MET A 1 -8.390 11.490 7.872 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.017 10.563 9.245 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.798 11.449 8.461 1.00 0.00 H new ATOM 0 HA MET A 1 -8.147 9.645 6.688 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.249 10.021 7.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.753 9.050 6.214 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.679 11.069 5.115 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.198 12.044 6.490 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.363 12.089 6.371 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.832 12.199 7.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.080 10.615 7.065 1.00 0.00 H new ATOM 20 N ARG A 2 -6.246 8.080 8.839 1.00 0.00 N ATOM 21 CA ARG A 2 -6.126 6.864 9.636 1.00 0.00 C ATOM 22 C ARG A 2 -6.605 5.643 8.855 1.00 0.00 C ATOM 23 O ARG A 2 -7.292 4.778 9.399 1.00 0.00 O ATOM 24 CB ARG A 2 -6.920 6.998 10.936 1.00 0.00 C ATOM 25 CG ARG A 2 -6.410 8.103 11.847 1.00 0.00 C ATOM 26 CD ARG A 2 -7.247 8.202 13.124 1.00 0.00 C ATOM 27 NE ARG A 2 -7.211 6.963 13.899 1.00 0.00 N ATOM 28 CZ ARG A 2 -6.105 6.460 14.440 1.00 0.00 C ATOM 29 NH1 ARG A 2 -4.946 7.094 14.307 1.00 0.00 N ATOM 30 NH2 ARG A 2 -6.157 5.323 15.121 1.00 0.00 N ATOM 0 H ARG A 2 -5.387 8.626 8.774 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.072 6.724 9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.966 7.190 10.696 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.885 6.050 11.473 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.369 7.912 12.106 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.437 9.055 11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.877 9.024 13.737 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.279 8.437 12.864 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.085 6.455 14.033 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.901 7.971 13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.101 6.704 14.724 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.045 4.834 15.230 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.309 4.938 15.536 1.00 0.00 H new ATOM 44 N LYS A 3 -6.236 5.578 7.579 1.00 0.00 N ATOM 45 CA LYS A 3 -6.628 4.460 6.731 1.00 0.00 C ATOM 46 C LYS A 3 -5.465 3.488 6.564 1.00 0.00 C ATOM 47 O LYS A 3 -4.890 3.358 5.479 1.00 0.00 O ATOM 48 CB LYS A 3 -7.112 4.968 5.372 1.00 0.00 C ATOM 49 CG LYS A 3 -7.775 3.900 4.518 1.00 0.00 C ATOM 50 CD LYS A 3 -8.443 4.504 3.293 1.00 0.00 C ATOM 51 CE LYS A 3 -9.595 5.421 3.677 1.00 0.00 C ATOM 52 NZ LYS A 3 -10.253 6.018 2.482 1.00 0.00 N ATOM 0 H LYS A 3 -5.668 6.285 7.112 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.451 3.929 7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.818 5.783 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.264 5.382 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.030 3.169 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.516 3.365 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.707 5.065 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.812 3.706 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.330 4.859 4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.225 6.217 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.206 6.347 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.689 6.822 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.324 5.302 1.731 1.00 0.00 H new ATOM 66 N LYS A 4 -5.125 2.813 7.658 1.00 0.00 N ATOM 67 CA LYS A 4 -4.033 1.851 7.666 1.00 0.00 C ATOM 68 C LYS A 4 -4.543 0.439 7.380 1.00 0.00 C ATOM 69 O LYS A 4 -5.112 -0.209 8.259 1.00 0.00 O ATOM 70 CB LYS A 4 -3.288 1.888 9.005 1.00 0.00 C ATOM 71 CG LYS A 4 -4.198 1.881 10.238 1.00 0.00 C ATOM 72 CD LYS A 4 -4.791 3.258 10.506 1.00 0.00 C ATOM 73 CE LYS A 4 -5.664 3.260 11.751 1.00 0.00 C ATOM 74 NZ LYS A 4 -4.906 2.841 12.962 1.00 0.00 N ATOM 0 H LYS A 4 -5.596 2.918 8.557 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.337 2.129 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.619 1.029 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.664 2.781 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.002 1.160 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.630 1.554 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.987 3.984 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.382 3.574 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.073 4.259 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.510 2.589 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.461 3.063 13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.727 1.817 12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.000 3.350 12.997 1.00 0.00 H new ATOM 88 N LEU A 5 -4.341 -0.038 6.148 1.00 0.00 N ATOM 89 CA LEU A 5 -4.790 -1.369 5.774 1.00 0.00 C ATOM 90 C LEU A 5 -3.629 -2.347 5.711 1.00 0.00 C ATOM 91 O LEU A 5 -2.646 -2.110 5.008 1.00 0.00 O ATOM 92 CB LEU A 5 -5.499 -1.339 4.419 1.00 0.00 C ATOM 93 CG LEU A 5 -6.958 -0.881 4.452 1.00 0.00 C ATOM 94 CD1 LEU A 5 -7.469 -0.605 3.039 1.00 0.00 C ATOM 95 CD2 LEU A 5 -7.821 -1.930 5.133 1.00 0.00 C ATOM 0 H LEU A 5 -3.873 0.478 5.403 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.488 -1.703 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.944 -0.679 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.459 -2.338 3.985 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.017 0.046 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.509 -0.281 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.865 0.177 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.399 -1.515 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.857 -1.593 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.754 -2.869 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.471 -2.082 6.154 1.00 0.00 H new ATOM 107 N ASP A 6 -3.757 -3.456 6.428 1.00 0.00 N ATOM 108 CA ASP A 6 -2.725 -4.477 6.423 1.00 0.00 C ATOM 109 C ASP A 6 -2.452 -4.910 4.981 1.00 0.00 C ATOM 110 O ASP A 6 -3.288 -5.580 4.383 1.00 0.00 O ATOM 111 CB ASP A 6 -3.173 -5.684 7.252 1.00 0.00 C ATOM 112 CG ASP A 6 -3.453 -5.321 8.698 1.00 0.00 C ATOM 113 OD1 ASP A 6 -2.521 -4.843 9.380 1.00 0.00 O ATOM 114 OD2 ASP A 6 -4.602 -5.514 9.147 1.00 0.00 O ATOM 0 H ASP A 6 -4.562 -3.668 7.017 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.814 -4.071 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.071 -6.113 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.401 -6.453 7.216 1.00 0.00 H new ATOM 119 N LEU A 7 -1.307 -4.519 4.407 1.00 0.00 N ATOM 120 CA LEU A 7 -1.000 -4.887 3.026 1.00 0.00 C ATOM 121 C LEU A 7 -1.332 -6.353 2.788 1.00 0.00 C ATOM 122 O LEU A 7 -1.721 -6.739 1.687 1.00 0.00 O ATOM 123 CB LEU A 7 0.476 -4.594 2.698 1.00 0.00 C ATOM 124 CG LEU A 7 0.907 -4.832 1.238 1.00 0.00 C ATOM 125 CD1 LEU A 7 1.122 -6.310 0.979 1.00 0.00 C ATOM 126 CD2 LEU A 7 -0.120 -4.258 0.266 1.00 0.00 C ATOM 0 H LEU A 7 -0.592 -3.958 4.870 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.615 -4.283 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.684 -3.555 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.100 -5.211 3.345 1.00 0.00 H new ATOM 0 HG LEU A 7 1.852 -4.314 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.426 -6.457 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.901 -6.686 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.194 -6.851 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.207 -4.439 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.084 -4.739 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.218 -3.185 0.432 1.00 0.00 H new ATOM 138 N LYS A 8 -1.205 -7.160 3.833 1.00 0.00 N ATOM 139 CA LYS A 8 -1.517 -8.576 3.738 1.00 0.00 C ATOM 140 C LYS A 8 -2.997 -8.771 3.421 1.00 0.00 C ATOM 141 O LYS A 8 -3.352 -9.549 2.542 1.00 0.00 O ATOM 142 CB LYS A 8 -1.158 -9.291 5.043 1.00 0.00 C ATOM 143 CG LYS A 8 -1.491 -10.777 5.040 1.00 0.00 C ATOM 144 CD LYS A 8 -1.001 -11.472 6.303 1.00 0.00 C ATOM 145 CE LYS A 8 -1.722 -10.974 7.549 1.00 0.00 C ATOM 146 NZ LYS A 8 -1.368 -9.567 7.884 1.00 0.00 N ATOM 0 H LYS A 8 -0.888 -6.857 4.754 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.925 -9.008 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.092 -9.167 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.686 -8.811 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.569 -10.907 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.039 -11.249 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.149 -12.547 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.071 -11.307 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.799 -11.049 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.474 -11.619 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.217 -9.482 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.497 -9.299 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.142 -8.936 7.595 1.00 0.00 H new ATOM 160 N LYS A 9 -3.855 -8.052 4.142 1.00 0.00 N ATOM 161 CA LYS A 9 -5.300 -8.147 3.934 1.00 0.00 C ATOM 162 C LYS A 9 -5.707 -7.504 2.608 1.00 0.00 C ATOM 163 O LYS A 9 -6.549 -8.038 1.886 1.00 0.00 O ATOM 164 CB LYS A 9 -6.065 -7.478 5.086 1.00 0.00 C ATOM 165 CG LYS A 9 -6.078 -5.958 5.037 1.00 0.00 C ATOM 166 CD LYS A 9 -7.497 -5.418 5.121 1.00 0.00 C ATOM 167 CE LYS A 9 -8.293 -5.728 3.861 1.00 0.00 C ATOM 168 NZ LYS A 9 -7.813 -4.941 2.694 1.00 0.00 N ATOM 0 H LYS A 9 -3.576 -7.398 4.874 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.557 -9.206 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.094 -7.838 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.623 -7.795 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.485 -5.560 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.610 -5.617 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.001 -5.851 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.467 -4.340 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.218 -6.792 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.347 -5.513 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.880 -5.521 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.400 -4.090 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.823 -4.661 2.847 1.00 0.00 H new ATOM 182 N PHE A 10 -5.114 -6.352 2.295 1.00 0.00 N ATOM 183 CA PHE A 10 -5.432 -5.645 1.060 1.00 0.00 C ATOM 184 C PHE A 10 -5.050 -6.485 -0.153 1.00 0.00 C ATOM 185 O PHE A 10 -5.764 -6.509 -1.156 1.00 0.00 O ATOM 186 CB PHE A 10 -4.739 -4.280 1.024 1.00 0.00 C ATOM 187 CG PHE A 10 -5.049 -3.457 -0.208 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.366 -3.231 -0.595 1.00 0.00 C ATOM 189 CD2 PHE A 10 -4.029 -2.898 -0.977 1.00 0.00 C ATOM 190 CE1 PHE A 10 -6.657 -2.474 -1.713 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.322 -2.141 -2.095 1.00 0.00 C ATOM 192 CZ PHE A 10 -5.635 -1.930 -2.463 1.00 0.00 C ATOM 0 H PHE A 10 -4.415 -5.892 2.878 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.508 -5.476 1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.031 -3.714 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.661 -4.431 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.172 -3.653 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.999 -3.059 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.685 -2.308 -2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.522 -1.714 -2.682 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.862 -1.339 -3.338 1.00 0.00 H new ATOM 202 N VAL A 11 -3.936 -7.199 -0.038 1.00 0.00 N ATOM 203 CA VAL A 11 -3.471 -8.074 -1.108 1.00 0.00 C ATOM 204 C VAL A 11 -4.343 -9.312 -1.186 1.00 0.00 C ATOM 205 O VAL A 11 -4.799 -9.708 -2.258 1.00 0.00 O ATOM 206 CB VAL A 11 -2.014 -8.526 -0.880 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.668 -9.673 -1.808 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.060 -7.370 -1.083 1.00 0.00 C ATOM 0 H VAL A 11 -3.337 -7.189 0.787 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.528 -7.505 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.916 -8.872 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.637 -9.982 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.335 -10.513 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.783 -9.351 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.037 -7.709 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.157 -6.993 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.297 -6.574 -0.377 1.00 0.00 H new ATOM 218 N GLU A 12 -4.546 -9.919 -0.029 1.00 0.00 N ATOM 219 CA GLU A 12 -5.345 -11.130 0.088 1.00 0.00 C ATOM 220 C GLU A 12 -6.691 -11.002 -0.622 1.00 0.00 C ATOM 221 O GLU A 12 -7.317 -12.009 -0.954 1.00 0.00 O ATOM 222 CB GLU A 12 -5.546 -11.483 1.560 1.00 0.00 C ATOM 223 CG GLU A 12 -4.335 -12.161 2.182 1.00 0.00 C ATOM 224 CD GLU A 12 -4.058 -13.531 1.594 1.00 0.00 C ATOM 225 OE1 GLU A 12 -3.786 -13.613 0.378 1.00 0.00 O ATOM 226 OE2 GLU A 12 -4.114 -14.523 2.350 1.00 0.00 O ATOM 0 H GLU A 12 -4.162 -9.588 0.856 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.799 -11.935 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.772 -10.574 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.411 -12.139 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.459 -11.528 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.491 -12.257 3.256 1.00 0.00 H new ATOM 233 N ASP A 13 -7.128 -9.767 -0.864 1.00 0.00 N ATOM 234 CA ASP A 13 -8.394 -9.532 -1.551 1.00 0.00 C ATOM 235 C ASP A 13 -8.430 -10.333 -2.852 1.00 0.00 C ATOM 236 O ASP A 13 -9.447 -10.931 -3.202 1.00 0.00 O ATOM 237 CB ASP A 13 -8.579 -8.037 -1.827 1.00 0.00 C ATOM 238 CG ASP A 13 -9.904 -7.726 -2.495 1.00 0.00 C ATOM 239 OD1 ASP A 13 -10.137 -8.222 -3.617 1.00 0.00 O ATOM 240 OD2 ASP A 13 -10.711 -6.985 -1.894 1.00 0.00 O ATOM 0 H ASP A 13 -6.627 -8.920 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.215 -9.862 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.512 -7.487 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.765 -7.685 -2.461 1.00 0.00 H new ATOM 245 N LYS A 14 -7.291 -10.363 -3.540 1.00 0.00 N ATOM 246 CA LYS A 14 -7.149 -11.116 -4.782 1.00 0.00 C ATOM 247 C LYS A 14 -5.745 -11.708 -4.871 1.00 0.00 C ATOM 248 O LYS A 14 -5.575 -12.916 -5.039 1.00 0.00 O ATOM 249 CB LYS A 14 -7.393 -10.239 -6.018 1.00 0.00 C ATOM 250 CG LYS A 14 -8.817 -9.696 -6.157 1.00 0.00 C ATOM 251 CD LYS A 14 -9.158 -9.357 -7.614 1.00 0.00 C ATOM 252 CE LYS A 14 -8.104 -8.475 -8.292 1.00 0.00 C ATOM 253 NZ LYS A 14 -6.808 -9.184 -8.491 1.00 0.00 N ATOM 0 H LYS A 14 -6.446 -9.869 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.899 -11.907 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.701 -9.397 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.153 -10.819 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.526 -10.433 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.928 -8.804 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.266 -10.282 -8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.122 -8.849 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.483 -8.139 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.938 -7.584 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.271 -8.720 -9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.257 -9.153 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.990 -10.174 -8.751 1.00 0.00 H new ATOM 267 N ASN A 15 -4.749 -10.827 -4.760 1.00 0.00 N ATOM 268 CA ASN A 15 -3.338 -11.202 -4.829 1.00 0.00 C ATOM 269 C ASN A 15 -2.492 -9.937 -4.955 1.00 0.00 C ATOM 270 O ASN A 15 -3.033 -8.836 -5.056 1.00 0.00 O ATOM 271 CB ASN A 15 -3.084 -12.131 -6.023 1.00 0.00 C ATOM 272 CG ASN A 15 -1.651 -12.639 -6.078 1.00 0.00 C ATOM 273 OD1 ASN A 15 -1.154 -13.214 -5.110 1.00 0.00 O ATOM 274 ND2 ASN A 15 -0.976 -12.443 -7.212 1.00 0.00 N ATOM 0 H ASN A 15 -4.901 -9.828 -4.619 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.063 -11.737 -3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.764 -12.981 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.312 -11.599 -6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.015 -12.774 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.421 -11.962 -7.994 1.00 0.00 H new ATOM 281 N GLN A 16 -1.170 -10.087 -4.953 1.00 0.00 N ATOM 282 CA GLN A 16 -0.280 -8.935 -5.073 1.00 0.00 C ATOM 283 C GLN A 16 -0.525 -8.183 -6.379 1.00 0.00 C ATOM 284 O GLN A 16 0.029 -7.109 -6.598 1.00 0.00 O ATOM 285 CB GLN A 16 1.185 -9.371 -4.951 1.00 0.00 C ATOM 286 CG GLN A 16 1.538 -10.595 -5.779 1.00 0.00 C ATOM 287 CD GLN A 16 1.716 -10.283 -7.257 1.00 0.00 C ATOM 288 OE1 GLN A 16 2.826 -9.997 -7.704 1.00 0.00 O ATOM 289 NE2 GLN A 16 0.626 -10.298 -8.021 1.00 0.00 N ATOM 0 H GLN A 16 -0.695 -10.986 -4.870 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.499 -8.250 -4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.826 -8.543 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.406 -9.578 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.458 -11.035 -5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.754 -11.343 -5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.278 -10.540 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.695 -10.067 -9.012 1.00 0.00 H new ATOM 298 N GLU A 17 -1.378 -8.743 -7.234 1.00 0.00 N ATOM 299 CA GLU A 17 -1.714 -8.115 -8.500 1.00 0.00 C ATOM 300 C GLU A 17 -2.669 -6.952 -8.289 1.00 0.00 C ATOM 301 O GLU A 17 -2.469 -5.866 -8.829 1.00 0.00 O ATOM 302 CB GLU A 17 -2.358 -9.121 -9.443 1.00 0.00 C ATOM 303 CG GLU A 17 -2.583 -8.534 -10.813 1.00 0.00 C ATOM 304 CD GLU A 17 -3.351 -9.457 -11.738 1.00 0.00 C ATOM 305 OE1 GLU A 17 -4.501 -9.812 -11.403 1.00 0.00 O ATOM 306 OE2 GLU A 17 -2.802 -9.825 -12.798 1.00 0.00 O ATOM 0 H GLU A 17 -1.848 -9.633 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.788 -7.745 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.722 -10.003 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.310 -9.452 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.127 -7.594 -10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.619 -8.298 -11.263 1.00 0.00 H new ATOM 313 N TYR A 18 -3.715 -7.196 -7.512 1.00 0.00 N ATOM 314 CA TYR A 18 -4.721 -6.176 -7.239 1.00 0.00 C ATOM 315 C TYR A 18 -4.140 -5.012 -6.452 1.00 0.00 C ATOM 316 O TYR A 18 -4.369 -3.848 -6.779 1.00 0.00 O ATOM 317 CB TYR A 18 -5.895 -6.779 -6.455 1.00 0.00 C ATOM 318 CG TYR A 18 -6.884 -5.761 -5.910 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.403 -4.748 -6.715 1.00 0.00 C ATOM 320 CD2 TYR A 18 -7.300 -5.813 -4.581 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.300 -3.825 -6.211 1.00 0.00 C ATOM 322 CE2 TYR A 18 -8.196 -4.894 -4.076 1.00 0.00 C ATOM 323 CZ TYR A 18 -8.693 -3.903 -4.893 1.00 0.00 C ATOM 324 OH TYR A 18 -9.587 -2.985 -4.391 1.00 0.00 O ATOM 0 H TYR A 18 -3.890 -8.093 -7.058 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.072 -5.802 -8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.429 -7.473 -7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.498 -7.361 -5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.099 -4.683 -7.749 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.914 -6.587 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.691 -3.046 -6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.507 -4.951 -3.043 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.761 -3.180 -3.446 1.00 0.00 H new ATOM 334 N ALA A 19 -3.403 -5.339 -5.404 1.00 0.00 N ATOM 335 CA ALA A 19 -2.800 -4.333 -4.553 1.00 0.00 C ATOM 336 C ALA A 19 -1.771 -3.519 -5.322 1.00 0.00 C ATOM 337 O ALA A 19 -1.759 -2.291 -5.249 1.00 0.00 O ATOM 338 CB ALA A 19 -2.185 -5.003 -3.342 1.00 0.00 C ATOM 0 H ALA A 19 -3.208 -6.300 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.569 -3.639 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.731 -4.248 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.959 -5.533 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.422 -5.711 -3.666 1.00 0.00 H new ATOM 344 N ALA A 20 -0.925 -4.207 -6.078 1.00 0.00 N ATOM 345 CA ALA A 20 0.088 -3.533 -6.880 1.00 0.00 C ATOM 346 C ALA A 20 -0.575 -2.763 -8.017 1.00 0.00 C ATOM 347 O ALA A 20 -0.006 -1.817 -8.562 1.00 0.00 O ATOM 348 CB ALA A 20 1.092 -4.536 -7.427 1.00 0.00 C ATOM 0 H ALA A 20 -0.919 -5.224 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 20 0.625 -2.828 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.840 -4.014 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.581 -5.049 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.575 -5.265 -8.051 1.00 0.00 H new ATOM 354 N ARG A 21 -1.789 -3.183 -8.359 1.00 0.00 N ATOM 355 CA ARG A 21 -2.563 -2.558 -9.414 1.00 0.00 C ATOM 356 C ARG A 21 -3.082 -1.198 -8.972 1.00 0.00 C ATOM 357 O ARG A 21 -3.078 -0.236 -9.740 1.00 0.00 O ATOM 358 CB ARG A 21 -3.743 -3.445 -9.778 1.00 0.00 C ATOM 359 CG ARG A 21 -4.529 -2.910 -10.943 1.00 0.00 C ATOM 360 CD ARG A 21 -5.617 -3.881 -11.381 1.00 0.00 C ATOM 361 NE ARG A 21 -6.674 -4.009 -10.382 1.00 0.00 N ATOM 362 CZ ARG A 21 -7.741 -4.788 -10.536 1.00 0.00 C ATOM 363 NH1 ARG A 21 -7.884 -5.515 -11.636 1.00 0.00 N ATOM 364 NH2 ARG A 21 -8.668 -4.841 -9.589 1.00 0.00 N ATOM 0 H ARG A 21 -2.260 -3.968 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.914 -2.424 -10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.381 -4.445 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.401 -3.542 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.981 -1.956 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.856 -2.717 -11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.048 -3.541 -12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.175 -4.860 -11.568 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.590 -3.472 -9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.174 -5.478 -12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.704 -6.111 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.563 -4.284 -8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.486 -5.439 -9.709 1.00 0.00 H new ATOM 378 N ALA A 22 -3.547 -1.139 -7.731 1.00 0.00 N ATOM 379 CA ALA A 22 -4.098 0.087 -7.177 1.00 0.00 C ATOM 380 C ALA A 22 -3.001 1.013 -6.656 1.00 0.00 C ATOM 381 O ALA A 22 -2.890 2.159 -7.089 1.00 0.00 O ATOM 382 CB ALA A 22 -5.090 -0.249 -6.075 1.00 0.00 C ATOM 0 H ALA A 22 -3.553 -1.931 -7.088 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.616 0.620 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.501 0.672 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.898 -0.855 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.583 -0.806 -5.287 1.00 0.00 H new ATOM 388 N LEU A 23 -2.193 0.512 -5.724 1.00 0.00 N ATOM 389 CA LEU A 23 -1.110 1.310 -5.151 1.00 0.00 C ATOM 390 C LEU A 23 -0.011 1.571 -6.176 1.00 0.00 C ATOM 391 O LEU A 23 -0.054 1.055 -7.292 1.00 0.00 O ATOM 392 CB LEU A 23 -0.519 0.633 -3.908 1.00 0.00 C ATOM 393 CG LEU A 23 -1.447 0.593 -2.692 1.00 0.00 C ATOM 394 CD1 LEU A 23 -0.766 -0.077 -1.487 1.00 0.00 C ATOM 395 CD2 LEU A 23 -1.895 2.016 -2.331 1.00 0.00 C ATOM 0 H LEU A 23 -2.266 -0.435 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.538 2.267 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.240 -0.388 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.397 1.154 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.321 -0.004 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.453 -0.089 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.492 -1.100 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.131 0.482 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.555 1.981 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.021 2.624 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.427 2.455 -3.175 1.00 0.00 H new ATOM 407 N GLY A 24 0.968 2.383 -5.787 1.00 0.00 N ATOM 408 CA GLY A 24 2.063 2.710 -6.684 1.00 0.00 C ATOM 409 C GLY A 24 3.378 2.084 -6.262 1.00 0.00 C ATOM 410 O GLY A 24 4.251 2.763 -5.723 1.00 0.00 O ATOM 0 H GLY A 24 1.023 2.820 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.814 2.375 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.179 3.793 -6.728 1.00 0.00 H new ATOM 414 N LEU A 25 3.521 0.789 -6.518 1.00 0.00 N ATOM 415 CA LEU A 25 4.742 0.062 -6.176 1.00 0.00 C ATOM 416 C LEU A 25 4.870 -1.194 -7.030 1.00 0.00 C ATOM 417 O LEU A 25 3.884 -1.680 -7.585 1.00 0.00 O ATOM 418 CB LEU A 25 4.759 -0.327 -4.687 1.00 0.00 C ATOM 419 CG LEU A 25 3.426 -0.166 -3.947 1.00 0.00 C ATOM 420 CD1 LEU A 25 2.369 -1.116 -4.509 1.00 0.00 C ATOM 421 CD2 LEU A 25 3.618 -0.414 -2.452 1.00 0.00 C ATOM 0 H LEU A 25 2.804 0.217 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 25 5.586 0.723 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.077 -1.366 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.511 0.278 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 25 3.077 0.856 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.433 -0.981 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.210 -0.900 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.709 -2.146 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.664 -0.297 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.992 -1.426 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.335 0.303 -2.053 1.00 0.00 H new ATOM 433 N SER A 26 6.085 -1.726 -7.124 1.00 0.00 N ATOM 434 CA SER A 26 6.325 -2.935 -7.900 1.00 0.00 C ATOM 435 C SER A 26 5.962 -4.159 -7.071 1.00 0.00 C ATOM 436 O SER A 26 5.795 -4.060 -5.855 1.00 0.00 O ATOM 437 CB SER A 26 7.789 -3.013 -8.333 1.00 0.00 C ATOM 438 OG SER A 26 8.000 -4.084 -9.236 1.00 0.00 O ATOM 0 H SER A 26 6.915 -1.340 -6.674 1.00 0.00 H new ATOM 0 HA SER A 26 5.701 -2.907 -8.793 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.082 -2.074 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.424 -3.143 -7.456 1.00 0.00 H new ATOM 0 HG SER A 26 8.944 -4.110 -9.498 1.00 0.00 H new ATOM 444 N GLN A 27 5.837 -5.310 -7.721 1.00 0.00 N ATOM 445 CA GLN A 27 5.491 -6.533 -7.012 1.00 0.00 C ATOM 446 C GLN A 27 6.536 -6.865 -5.958 1.00 0.00 C ATOM 447 O GLN A 27 6.233 -7.513 -4.956 1.00 0.00 O ATOM 448 CB GLN A 27 5.315 -7.697 -7.983 1.00 0.00 C ATOM 449 CG GLN A 27 4.111 -7.542 -8.905 1.00 0.00 C ATOM 450 CD GLN A 27 2.802 -7.228 -8.196 1.00 0.00 C ATOM 451 OE1 GLN A 27 1.787 -6.992 -8.851 1.00 0.00 O ATOM 452 NE2 GLN A 27 2.799 -7.238 -6.869 1.00 0.00 N ATOM 0 H GLN A 27 5.969 -5.421 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 27 4.540 -6.368 -6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.216 -7.794 -8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.211 -8.621 -7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.320 -6.748 -9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.987 -8.462 -9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.659 -7.438 -6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.936 -7.046 -6.359 1.00 0.00 H new ATOM 461 N LYS A 28 7.761 -6.401 -6.172 1.00 0.00 N ATOM 462 CA LYS A 28 8.833 -6.639 -5.217 1.00 0.00 C ATOM 463 C LYS A 28 8.686 -5.700 -4.028 1.00 0.00 C ATOM 464 O LYS A 28 8.917 -6.087 -2.892 1.00 0.00 O ATOM 465 CB LYS A 28 10.197 -6.451 -5.863 1.00 0.00 C ATOM 466 CG LYS A 28 10.385 -7.279 -7.118 1.00 0.00 C ATOM 467 CD LYS A 28 11.845 -7.349 -7.505 1.00 0.00 C ATOM 468 CE LYS A 28 12.049 -8.150 -8.779 1.00 0.00 C ATOM 469 NZ LYS A 28 11.323 -7.554 -9.935 1.00 0.00 N ATOM 0 H LYS A 28 8.035 -5.861 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 28 8.760 -7.671 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.334 -5.398 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.972 -6.714 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.999 -8.285 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.809 -6.845 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.234 -6.340 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.415 -7.803 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.113 -8.203 -9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.705 -9.173 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.681 -7.966 -10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.306 -7.754 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.474 -6.525 -9.947 1.00 0.00 H new ATOM 483 N LEU A 29 8.269 -4.467 -4.285 1.00 0.00 N ATOM 484 CA LEU A 29 8.067 -3.523 -3.200 1.00 0.00 C ATOM 485 C LEU A 29 6.983 -4.069 -2.293 1.00 0.00 C ATOM 486 O LEU A 29 7.030 -3.910 -1.073 1.00 0.00 O ATOM 487 CB LEU A 29 7.675 -2.134 -3.725 1.00 0.00 C ATOM 488 CG LEU A 29 8.787 -1.319 -4.411 1.00 0.00 C ATOM 489 CD1 LEU A 29 9.864 -0.911 -3.406 1.00 0.00 C ATOM 490 CD2 LEU A 29 9.412 -2.101 -5.563 1.00 0.00 C ATOM 0 H LEU A 29 8.068 -4.104 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 29 9.000 -3.404 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.855 -2.256 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.290 -1.550 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 29 8.330 -0.416 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.638 -0.337 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.417 -0.301 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.306 -1.804 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.194 -1.501 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.843 -3.027 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.646 -2.335 -6.302 1.00 0.00 H new ATOM 502 N ILE A 30 6.019 -4.745 -2.907 1.00 0.00 N ATOM 503 CA ILE A 30 4.935 -5.356 -2.186 1.00 0.00 C ATOM 504 C ILE A 30 5.424 -6.528 -1.361 1.00 0.00 C ATOM 505 O ILE A 30 5.248 -6.554 -0.146 1.00 0.00 O ATOM 506 CB ILE A 30 3.857 -5.836 -3.158 1.00 0.00 C ATOM 507 CG1 ILE A 30 2.890 -4.693 -3.470 1.00 0.00 C ATOM 508 CG2 ILE A 30 3.138 -7.047 -2.602 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.671 -5.132 -4.234 1.00 0.00 C ATOM 0 H ILE A 30 5.977 -4.879 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 30 4.515 -4.606 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 30 4.327 -6.142 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.576 -4.228 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.415 -3.930 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.375 -7.373 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.854 -7.854 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.667 -6.787 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.029 -4.271 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.976 -5.571 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.124 -5.873 -3.651 1.00 0.00 H new ATOM 521 N GLU A 31 6.042 -7.493 -2.028 1.00 0.00 N ATOM 522 CA GLU A 31 6.560 -8.666 -1.345 1.00 0.00 C ATOM 523 C GLU A 31 7.312 -8.231 -0.102 1.00 0.00 C ATOM 524 O GLU A 31 7.259 -8.879 0.941 1.00 0.00 O ATOM 525 CB GLU A 31 7.476 -9.455 -2.266 1.00 0.00 C ATOM 526 CG GLU A 31 8.708 -8.711 -2.645 1.00 0.00 C ATOM 527 CD GLU A 31 9.736 -9.580 -3.344 1.00 0.00 C ATOM 528 OE1 GLU A 31 10.196 -10.565 -2.730 1.00 0.00 O ATOM 529 OE2 GLU A 31 10.080 -9.275 -4.505 1.00 0.00 O ATOM 0 H GLU A 31 6.195 -7.486 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 31 5.729 -9.310 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.758 -10.387 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.929 -9.723 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.438 -7.881 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.155 -8.279 -1.749 1.00 0.00 H new ATOM 536 N GLU A 32 7.991 -7.103 -0.236 1.00 0.00 N ATOM 537 CA GLU A 32 8.755 -6.515 0.863 1.00 0.00 C ATOM 538 C GLU A 32 7.846 -6.195 2.044 1.00 0.00 C ATOM 539 O GLU A 32 8.095 -6.623 3.170 1.00 0.00 O ATOM 540 CB GLU A 32 9.443 -5.218 0.418 1.00 0.00 C ATOM 541 CG GLU A 32 10.511 -5.394 -0.647 1.00 0.00 C ATOM 542 CD GLU A 32 11.670 -6.261 -0.193 1.00 0.00 C ATOM 543 OE1 GLU A 32 11.689 -6.659 0.989 1.00 0.00 O ATOM 544 OE2 GLU A 32 12.567 -6.531 -1.020 1.00 0.00 O ATOM 0 H GLU A 32 8.031 -6.568 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 32 9.506 -7.246 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.684 -4.532 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.895 -4.746 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.060 -5.837 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.890 -4.414 -0.937 1.00 0.00 H new ATOM 551 N VAL A 33 6.804 -5.416 1.773 1.00 0.00 N ATOM 552 CA VAL A 33 5.856 -4.999 2.799 1.00 0.00 C ATOM 553 C VAL A 33 5.047 -6.172 3.342 1.00 0.00 C ATOM 554 O VAL A 33 4.855 -6.302 4.550 1.00 0.00 O ATOM 555 CB VAL A 33 4.880 -3.943 2.246 1.00 0.00 C ATOM 556 CG1 VAL A 33 4.081 -3.312 3.376 1.00 0.00 C ATOM 557 CG2 VAL A 33 5.626 -2.888 1.442 1.00 0.00 C ATOM 0 H VAL A 33 6.594 -5.058 0.841 1.00 0.00 H new ATOM 0 HA VAL A 33 6.446 -4.574 3.611 1.00 0.00 H new ATOM 0 HB VAL A 33 4.179 -4.438 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.397 -2.569 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.511 -4.084 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.762 -2.831 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.917 -2.153 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.356 -2.392 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.140 -3.363 0.607 1.00 0.00 H new ATOM 567 N LEU A 34 4.559 -7.009 2.438 1.00 0.00 N ATOM 568 CA LEU A 34 3.755 -8.157 2.797 1.00 0.00 C ATOM 569 C LEU A 34 4.545 -9.184 3.612 1.00 0.00 C ATOM 570 O LEU A 34 3.976 -9.883 4.452 1.00 0.00 O ATOM 571 CB LEU A 34 3.193 -8.778 1.518 1.00 0.00 C ATOM 572 CG LEU A 34 2.712 -10.209 1.648 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.550 -10.287 2.623 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.325 -10.769 0.289 1.00 0.00 C ATOM 0 H LEU A 34 4.712 -6.907 1.435 1.00 0.00 H new ATOM 0 HA LEU A 34 2.937 -7.828 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.363 -8.164 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.963 -8.740 0.747 1.00 0.00 H new ATOM 0 HG LEU A 34 3.527 -10.818 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.214 -11.321 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.871 -9.929 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.729 -9.667 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.982 -11.797 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.525 -10.165 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.190 -10.746 -0.374 1.00 0.00 H new ATOM 586 N LYS A 35 5.848 -9.278 3.369 1.00 0.00 N ATOM 587 CA LYS A 35 6.688 -10.225 4.090 1.00 0.00 C ATOM 588 C LYS A 35 7.209 -9.618 5.392 1.00 0.00 C ATOM 589 O LYS A 35 7.275 -10.290 6.422 1.00 0.00 O ATOM 590 CB LYS A 35 7.866 -10.651 3.217 1.00 0.00 C ATOM 591 CG LYS A 35 8.982 -9.632 3.177 1.00 0.00 C ATOM 592 CD LYS A 35 10.129 -10.065 2.279 1.00 0.00 C ATOM 593 CE LYS A 35 11.342 -9.168 2.470 1.00 0.00 C ATOM 594 NZ LYS A 35 11.970 -9.365 3.806 1.00 0.00 N ATOM 0 H LYS A 35 6.343 -8.712 2.680 1.00 0.00 H new ATOM 0 HA LYS A 35 6.080 -11.096 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.261 -11.597 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.511 -10.830 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.588 -8.679 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.357 -9.468 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.398 -11.098 2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.811 -10.035 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.074 -9.376 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.044 -8.125 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.919 -8.940 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.385 -8.910 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.045 -10.382 4.008 1.00 0.00 H new ATOM 608 N ARG A 36 7.594 -8.348 5.327 1.00 0.00 N ATOM 609 CA ARG A 36 8.132 -7.641 6.484 1.00 0.00 C ATOM 610 C ARG A 36 7.028 -7.065 7.364 1.00 0.00 C ATOM 611 O ARG A 36 7.300 -6.530 8.439 1.00 0.00 O ATOM 612 CB ARG A 36 9.070 -6.530 6.033 1.00 0.00 C ATOM 613 CG ARG A 36 10.320 -7.061 5.369 1.00 0.00 C ATOM 614 CD ARG A 36 10.989 -6.011 4.503 1.00 0.00 C ATOM 615 NE ARG A 36 12.326 -6.419 4.079 1.00 0.00 N ATOM 616 CZ ARG A 36 13.122 -5.668 3.323 1.00 0.00 C ATOM 617 NH1 ARG A 36 12.716 -4.474 2.910 1.00 0.00 N ATOM 618 NH2 ARG A 36 14.324 -6.108 2.982 1.00 0.00 N ATOM 0 H ARG A 36 7.543 -7.784 4.479 1.00 0.00 H new ATOM 0 HA ARG A 36 8.687 -8.366 7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.544 -5.875 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.350 -5.923 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.020 -7.402 6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.067 -7.928 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.373 -5.820 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.055 -5.074 5.056 1.00 0.00 H new ATOM 0 HE ARG A 36 12.669 -7.331 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.792 -4.131 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.328 -3.900 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.641 -7.024 3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.933 -5.531 2.402 1.00 0.00 H new ATOM 632 N GLY A 37 5.785 -7.171 6.901 1.00 0.00 N ATOM 633 CA GLY A 37 4.668 -6.643 7.663 1.00 0.00 C ATOM 634 C GLY A 37 4.872 -5.186 8.029 1.00 0.00 C ATOM 635 O GLY A 37 4.736 -4.803 9.191 1.00 0.00 O ATOM 0 H GLY A 37 5.533 -7.611 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.751 -6.747 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.538 -7.231 8.572 1.00 0.00 H new ATOM 639 N LEU A 38 5.210 -4.375 7.030 1.00 0.00 N ATOM 640 CA LEU A 38 5.447 -2.953 7.243 1.00 0.00 C ATOM 641 C LEU A 38 4.124 -2.183 7.248 1.00 0.00 C ATOM 642 O LEU A 38 3.168 -2.584 6.582 1.00 0.00 O ATOM 643 CB LEU A 38 6.366 -2.408 6.138 1.00 0.00 C ATOM 644 CG LEU A 38 7.714 -3.132 5.948 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.459 -2.509 4.786 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.582 -3.098 7.200 1.00 0.00 C ATOM 0 H LEU A 38 5.326 -4.681 6.064 1.00 0.00 H new ATOM 0 HA LEU A 38 5.929 -2.820 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.823 -2.444 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.569 -1.358 6.349 1.00 0.00 H new ATOM 0 HG LEU A 38 7.497 -4.180 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.413 -3.019 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.863 -2.605 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.638 -1.454 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.518 -3.623 7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.794 -2.063 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.055 -3.584 8.021 1.00 0.00 H new ATOM 658 N PRO A 39 4.042 -1.063 7.997 1.00 0.00 N ATOM 659 CA PRO A 39 2.818 -0.256 8.067 1.00 0.00 C ATOM 660 C PRO A 39 2.562 0.516 6.781 1.00 0.00 C ATOM 661 O PRO A 39 3.464 1.165 6.249 1.00 0.00 O ATOM 662 CB PRO A 39 3.094 0.714 9.217 1.00 0.00 C ATOM 663 CG PRO A 39 4.575 0.848 9.247 1.00 0.00 C ATOM 664 CD PRO A 39 5.125 -0.494 8.831 1.00 0.00 C ATOM 0 HA PRO A 39 1.933 -0.875 8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.612 1.677 9.048 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.712 0.328 10.162 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.909 1.633 8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.922 1.119 10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.053 -0.391 8.269 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.342 -1.124 9.693 1.00 0.00 H new ATOM 672 N VAL A 40 1.331 0.450 6.280 1.00 0.00 N ATOM 673 CA VAL A 40 0.980 1.153 5.054 1.00 0.00 C ATOM 674 C VAL A 40 -0.416 1.787 5.146 1.00 0.00 C ATOM 675 O VAL A 40 -1.324 1.223 5.764 1.00 0.00 O ATOM 676 CB VAL A 40 1.021 0.215 3.832 1.00 0.00 C ATOM 677 CG1 VAL A 40 2.389 -0.452 3.713 1.00 0.00 C ATOM 678 CG2 VAL A 40 -0.084 -0.822 3.917 1.00 0.00 C ATOM 0 H VAL A 40 0.567 -0.079 6.701 1.00 0.00 H new ATOM 0 HA VAL A 40 1.724 1.940 4.928 1.00 0.00 H new ATOM 0 HB VAL A 40 0.856 0.811 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.398 -1.110 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.158 0.312 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.589 -1.035 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.038 -1.475 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.043 -1.416 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.052 -0.321 3.945 1.00 0.00 H new ATOM 688 N TYR A 41 -0.589 2.952 4.515 1.00 0.00 N ATOM 689 CA TYR A 41 -1.872 3.643 4.519 1.00 0.00 C ATOM 690 C TYR A 41 -2.286 3.985 3.095 1.00 0.00 C ATOM 691 O TYR A 41 -1.650 4.808 2.438 1.00 0.00 O ATOM 692 CB TYR A 41 -1.808 4.931 5.359 1.00 0.00 C ATOM 693 CG TYR A 41 -1.523 4.729 6.838 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.399 4.028 7.258 1.00 0.00 C ATOM 695 CD2 TYR A 41 -2.365 5.258 7.818 1.00 0.00 C ATOM 696 CE1 TYR A 41 -0.123 3.854 8.601 1.00 0.00 C ATOM 697 CE2 TYR A 41 -2.091 5.090 9.158 1.00 0.00 C ATOM 698 CZ TYR A 41 -0.971 4.388 9.546 1.00 0.00 C ATOM 699 OH TYR A 41 -0.698 4.219 10.885 1.00 0.00 O ATOM 0 H TYR A 41 0.146 3.433 3.996 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.610 2.976 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.037 5.579 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.756 5.459 5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.272 3.611 6.521 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.246 5.808 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.753 3.302 8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.753 5.508 9.902 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.393 4.658 11.419 1.00 0.00 H new ATOM 709 N VAL A 42 -3.355 3.355 2.621 1.00 0.00 N ATOM 710 CA VAL A 42 -3.838 3.612 1.267 1.00 0.00 C ATOM 711 C VAL A 42 -4.965 4.645 1.286 1.00 0.00 C ATOM 712 O VAL A 42 -6.051 4.393 1.801 1.00 0.00 O ATOM 713 CB VAL A 42 -4.304 2.312 0.543 1.00 0.00 C ATOM 714 CG1 VAL A 42 -3.203 1.255 0.550 1.00 0.00 C ATOM 715 CG2 VAL A 42 -5.576 1.744 1.163 1.00 0.00 C ATOM 0 H VAL A 42 -3.899 2.670 3.146 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.997 4.011 0.700 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.523 2.585 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.555 0.359 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.323 1.643 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.943 1.007 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.868 0.839 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.395 1.506 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.376 2.481 1.092 1.00 0.00 H new ATOM 725 N GLU A 43 -4.686 5.822 0.731 1.00 0.00 N ATOM 726 CA GLU A 43 -5.674 6.912 0.695 1.00 0.00 C ATOM 727 C GLU A 43 -6.267 7.083 -0.705 1.00 0.00 C ATOM 728 O GLU A 43 -5.699 7.788 -1.540 1.00 0.00 O ATOM 729 CB GLU A 43 -5.010 8.211 1.133 1.00 0.00 C ATOM 730 CG GLU A 43 -5.965 9.392 1.229 1.00 0.00 C ATOM 731 CD GLU A 43 -7.046 9.194 2.274 1.00 0.00 C ATOM 732 OE1 GLU A 43 -7.848 8.247 2.131 1.00 0.00 O ATOM 733 OE2 GLU A 43 -7.091 9.987 3.238 1.00 0.00 O ATOM 0 H GLU A 43 -3.790 6.051 0.300 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.487 6.659 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.540 8.057 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.215 8.456 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.398 10.292 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.432 9.555 0.258 1.00 0.00 H new ATOM 740 N THR A 44 -7.390 6.408 -0.972 1.00 0.00 N ATOM 741 CA THR A 44 -8.020 6.464 -2.292 1.00 0.00 C ATOM 742 C THR A 44 -8.569 7.852 -2.608 1.00 0.00 C ATOM 743 O THR A 44 -8.824 8.657 -1.712 1.00 0.00 O ATOM 744 CB THR A 44 -9.127 5.413 -2.404 1.00 0.00 C ATOM 745 OG1 THR A 44 -8.974 4.421 -1.404 1.00 0.00 O ATOM 746 CG2 THR A 44 -9.141 4.698 -3.745 1.00 0.00 C ATOM 0 H THR A 44 -7.878 5.821 -0.295 1.00 0.00 H new ATOM 0 HA THR A 44 -7.247 6.245 -3.028 1.00 0.00 H new ATOM 0 HB THR A 44 -10.061 5.963 -2.287 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.691 3.758 -1.489 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.949 3.966 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.295 5.424 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.189 4.190 -3.896 1.00 0.00 H new ATOM 754 N ASN A 45 -8.734 8.115 -3.900 1.00 0.00 N ATOM 755 CA ASN A 45 -9.239 9.395 -4.382 1.00 0.00 C ATOM 756 C ASN A 45 -10.741 9.333 -4.658 1.00 0.00 C ATOM 757 O ASN A 45 -11.550 9.680 -3.799 1.00 0.00 O ATOM 758 CB ASN A 45 -8.473 9.794 -5.651 1.00 0.00 C ATOM 759 CG ASN A 45 -9.139 10.914 -6.431 1.00 0.00 C ATOM 760 OD1 ASN A 45 -9.375 12.000 -5.899 1.00 0.00 O ATOM 761 ND2 ASN A 45 -9.441 10.658 -7.705 1.00 0.00 N ATOM 0 H ASN A 45 -8.522 7.448 -4.642 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.082 10.147 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.465 10.103 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.374 8.921 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.885 11.376 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.228 9.745 -8.106 1.00 0.00 H new ATOM 768 N LYS A 46 -11.108 8.893 -5.858 1.00 0.00 N ATOM 769 CA LYS A 46 -12.514 8.794 -6.237 1.00 0.00 C ATOM 770 C LYS A 46 -12.698 7.827 -7.402 1.00 0.00 C ATOM 771 O LYS A 46 -13.318 6.773 -7.253 1.00 0.00 O ATOM 772 CB LYS A 46 -13.061 10.172 -6.612 1.00 0.00 C ATOM 773 CG LYS A 46 -14.532 10.159 -6.996 1.00 0.00 C ATOM 774 CD LYS A 46 -15.022 11.546 -7.371 1.00 0.00 C ATOM 775 CE LYS A 46 -16.494 11.529 -7.752 1.00 0.00 C ATOM 776 NZ LYS A 46 -17.355 11.076 -6.625 1.00 0.00 N ATOM 0 H LYS A 46 -10.453 8.600 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.068 8.411 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.920 10.851 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.480 10.570 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.684 9.479 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.123 9.776 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.869 12.227 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.433 11.929 -8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.800 12.528 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.640 10.870 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.350 11.285 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.238 10.052 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.079 11.575 -5.755 1.00 0.00 H new ATOM 790 N ASP A 47 -12.157 8.192 -8.562 1.00 0.00 N ATOM 791 CA ASP A 47 -12.261 7.356 -9.752 1.00 0.00 C ATOM 792 C ASP A 47 -11.737 5.952 -9.473 1.00 0.00 C ATOM 793 O ASP A 47 -12.138 4.986 -10.123 1.00 0.00 O ATOM 794 CB ASP A 47 -11.485 7.984 -10.912 1.00 0.00 C ATOM 795 CG ASP A 47 -11.564 7.153 -12.178 1.00 0.00 C ATOM 796 OD1 ASP A 47 -12.689 6.937 -12.676 1.00 0.00 O ATOM 797 OD2 ASP A 47 -10.503 6.720 -12.672 1.00 0.00 O ATOM 0 H ASP A 47 -11.642 9.062 -8.702 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.313 7.284 -10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.878 8.981 -11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.441 8.104 -10.624 1.00 0.00 H new ATOM 802 N GLY A 48 -10.840 5.849 -8.498 1.00 0.00 N ATOM 803 CA GLY A 48 -10.273 4.565 -8.141 1.00 0.00 C ATOM 804 C GLY A 48 -8.782 4.641 -7.893 1.00 0.00 C ATOM 805 O GLY A 48 -8.188 3.709 -7.348 1.00 0.00 O ATOM 0 H GLY A 48 -10.496 6.636 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.769 4.188 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.470 3.849 -8.939 1.00 0.00 H new ATOM 809 N ASN A 49 -8.173 5.757 -8.284 1.00 0.00 N ATOM 810 CA ASN A 49 -6.742 5.947 -8.087 1.00 0.00 C ATOM 811 C ASN A 49 -6.464 6.165 -6.610 1.00 0.00 C ATOM 812 O ASN A 49 -7.306 6.706 -5.896 1.00 0.00 O ATOM 813 CB ASN A 49 -6.237 7.151 -8.901 1.00 0.00 C ATOM 814 CG ASN A 49 -6.683 8.484 -8.322 1.00 0.00 C ATOM 815 OD1 ASN A 49 -6.268 8.859 -7.226 1.00 0.00 O ATOM 816 ND2 ASN A 49 -7.526 9.213 -9.051 1.00 0.00 N ATOM 0 H ASN A 49 -8.646 6.539 -8.737 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.215 5.057 -8.432 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.148 7.124 -8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.597 7.067 -9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.850 10.116 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.848 8.868 -9.955 1.00 0.00 H new ATOM 823 N ILE A 50 -5.298 5.740 -6.142 1.00 0.00 N ATOM 824 CA ILE A 50 -4.972 5.900 -4.759 1.00 0.00 C ATOM 825 C ILE A 50 -3.473 6.003 -4.513 1.00 0.00 C ATOM 826 O ILE A 50 -2.659 5.535 -5.309 1.00 0.00 O ATOM 827 CB ILE A 50 -5.533 4.739 -3.929 1.00 0.00 C ATOM 828 CG1 ILE A 50 -5.233 4.975 -2.474 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.935 3.417 -4.357 1.00 0.00 C ATOM 830 CD1 ILE A 50 -5.926 4.014 -1.539 1.00 0.00 C ATOM 0 H ILE A 50 -4.578 5.288 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.430 6.839 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.610 4.694 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.156 4.903 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.525 5.993 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.353 2.615 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.167 3.236 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.854 3.447 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.658 4.251 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.006 4.101 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.616 2.995 -1.769 1.00 0.00 H new ATOM 842 N LYS A 51 -3.131 6.594 -3.374 1.00 0.00 N ATOM 843 CA LYS A 51 -1.755 6.743 -2.956 1.00 0.00 C ATOM 844 C LYS A 51 -1.556 5.969 -1.661 1.00 0.00 C ATOM 845 O LYS A 51 -2.527 5.557 -1.028 1.00 0.00 O ATOM 846 CB LYS A 51 -1.411 8.228 -2.770 1.00 0.00 C ATOM 847 CG LYS A 51 -2.437 8.993 -1.944 1.00 0.00 C ATOM 848 CD LYS A 51 -2.151 10.491 -1.941 1.00 0.00 C ATOM 849 CE LYS A 51 -2.289 11.099 -3.336 1.00 0.00 C ATOM 850 NZ LYS A 51 -2.061 12.571 -3.324 1.00 0.00 N ATOM 0 H LYS A 51 -3.808 6.982 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.087 6.345 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.436 8.309 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.323 8.697 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.435 8.813 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.433 8.619 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.838 10.991 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.143 10.668 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.575 10.626 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.284 10.889 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.163 12.946 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.758 13.025 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.102 12.771 -2.975 1.00 0.00 H new ATOM 864 N VAL A 52 -0.313 5.750 -1.275 1.00 0.00 N ATOM 865 CA VAL A 52 -0.034 5.000 -0.055 1.00 0.00 C ATOM 866 C VAL A 52 1.005 5.686 0.831 1.00 0.00 C ATOM 867 O VAL A 52 2.208 5.529 0.622 1.00 0.00 O ATOM 868 CB VAL A 52 0.426 3.555 -0.369 1.00 0.00 C ATOM 869 CG1 VAL A 52 1.483 3.534 -1.457 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.931 2.864 0.886 1.00 0.00 C ATOM 0 H VAL A 52 0.513 6.074 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.975 4.964 0.495 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.440 3.006 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.783 2.505 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.076 3.973 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.350 4.110 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.248 1.851 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.775 3.420 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.132 2.825 1.626 1.00 0.00 H new ATOM 880 N TYR A 53 0.537 6.436 1.836 1.00 0.00 N ATOM 881 CA TYR A 53 1.446 7.118 2.756 1.00 0.00 C ATOM 882 C TYR A 53 2.068 6.120 3.729 1.00 0.00 C ATOM 883 O TYR A 53 1.729 6.102 4.913 1.00 0.00 O ATOM 884 CB TYR A 53 0.721 8.209 3.550 1.00 0.00 C ATOM 885 CG TYR A 53 0.149 9.326 2.702 1.00 0.00 C ATOM 886 CD1 TYR A 53 0.917 10.438 2.366 1.00 0.00 C ATOM 887 CD2 TYR A 53 -1.167 9.281 2.257 1.00 0.00 C ATOM 888 CE1 TYR A 53 0.389 11.467 1.610 1.00 0.00 C ATOM 889 CE2 TYR A 53 -1.698 10.306 1.498 1.00 0.00 C ATOM 890 CZ TYR A 53 -0.918 11.396 1.178 1.00 0.00 C ATOM 891 OH TYR A 53 -1.447 12.417 0.424 1.00 0.00 O ATOM 0 H TYR A 53 -0.454 6.583 2.029 1.00 0.00 H new ATOM 0 HA TYR A 53 2.229 7.583 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.088 7.750 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.415 8.637 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.942 10.497 2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.784 8.431 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.998 12.323 1.359 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.721 10.253 1.157 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.736 12.837 -0.103 1.00 0.00 H new ATOM 901 N ILE A 54 2.977 5.292 3.225 1.00 0.00 N ATOM 902 CA ILE A 54 3.643 4.292 4.051 1.00 0.00 C ATOM 903 C ILE A 54 4.306 4.950 5.262 1.00 0.00 C ATOM 904 O ILE A 54 4.551 6.156 5.259 1.00 0.00 O ATOM 905 CB ILE A 54 4.701 3.513 3.241 1.00 0.00 C ATOM 906 CG1 ILE A 54 5.277 2.362 4.071 1.00 0.00 C ATOM 907 CG2 ILE A 54 5.809 4.451 2.780 1.00 0.00 C ATOM 908 CD1 ILE A 54 6.247 1.472 3.295 1.00 0.00 C ATOM 0 H ILE A 54 3.269 5.294 2.248 1.00 0.00 H new ATOM 0 HA ILE A 54 2.883 3.590 4.395 1.00 0.00 H new ATOM 0 HB ILE A 54 4.219 3.088 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.791 2.774 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.457 1.750 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.548 3.888 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.385 5.234 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.288 4.903 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.614 0.679 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.732 1.031 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.087 2.070 2.943 1.00 0.00 H new ATOM 920 N THR A 55 4.591 4.164 6.299 1.00 0.00 N ATOM 921 CA THR A 55 5.215 4.697 7.505 1.00 0.00 C ATOM 922 C THR A 55 6.506 3.947 7.832 1.00 0.00 C ATOM 923 O THR A 55 6.530 3.087 8.714 1.00 0.00 O ATOM 924 CB THR A 55 4.243 4.605 8.684 1.00 0.00 C ATOM 925 OG1 THR A 55 3.038 5.291 8.394 1.00 0.00 O ATOM 926 CG2 THR A 55 4.799 5.185 9.969 1.00 0.00 C ATOM 0 H THR A 55 4.401 3.162 6.327 1.00 0.00 H new ATOM 0 HA THR A 55 5.464 5.743 7.325 1.00 0.00 H new ATOM 0 HB THR A 55 4.069 3.539 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.279 4.681 8.504 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.059 5.087 10.763 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.705 4.647 10.249 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.034 6.239 9.821 1.00 0.00 H new ATOM 934 N GLN A 56 7.580 4.274 7.118 1.00 0.00 N ATOM 935 CA GLN A 56 8.869 3.628 7.338 1.00 0.00 C ATOM 936 C GLN A 56 9.894 4.625 7.867 1.00 0.00 C ATOM 937 O GLN A 56 9.829 5.816 7.564 1.00 0.00 O ATOM 938 CB GLN A 56 9.369 3.001 6.037 1.00 0.00 C ATOM 939 CG GLN A 56 9.496 3.994 4.896 1.00 0.00 C ATOM 940 CD GLN A 56 9.846 3.332 3.580 1.00 0.00 C ATOM 941 OE1 GLN A 56 10.913 2.737 3.433 1.00 0.00 O ATOM 942 NE2 GLN A 56 8.937 3.425 2.618 1.00 0.00 N ATOM 0 H GLN A 56 7.582 4.982 6.383 1.00 0.00 H new ATOM 0 HA GLN A 56 8.737 2.845 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.340 2.539 6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.686 2.205 5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.557 4.537 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.262 4.729 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.066 3.929 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.109 2.993 1.710 1.00 0.00 H new ATOM 951 N ASP A 57 10.838 4.127 8.665 1.00 0.00 N ATOM 952 CA ASP A 57 11.881 4.969 9.244 1.00 0.00 C ATOM 953 C ASP A 57 11.273 6.038 10.151 1.00 0.00 C ATOM 954 O ASP A 57 11.946 6.990 10.547 1.00 0.00 O ATOM 955 CB ASP A 57 12.713 5.624 8.136 1.00 0.00 C ATOM 956 CG ASP A 57 13.886 6.417 8.678 1.00 0.00 C ATOM 957 OD1 ASP A 57 14.746 5.817 9.357 1.00 0.00 O ATOM 958 OD2 ASP A 57 13.945 7.638 8.425 1.00 0.00 O ATOM 0 H ASP A 57 10.901 3.143 8.925 1.00 0.00 H new ATOM 0 HA ASP A 57 12.534 4.338 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.082 4.853 7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.074 6.283 7.549 1.00 0.00 H new ATOM 963 N GLY A 58 9.995 5.871 10.479 1.00 0.00 N ATOM 964 CA GLY A 58 9.318 6.828 11.339 1.00 0.00 C ATOM 965 C GLY A 58 8.811 8.037 10.578 1.00 0.00 C ATOM 966 O GLY A 58 8.640 9.113 11.151 1.00 0.00 O ATOM 0 H GLY A 58 9.416 5.092 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.480 6.337 11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.003 7.156 12.121 1.00 0.00 H new ATOM 970 N ILE A 59 8.570 7.861 9.281 1.00 0.00 N ATOM 971 CA ILE A 59 8.081 8.946 8.440 1.00 0.00 C ATOM 972 C ILE A 59 7.031 8.448 7.450 1.00 0.00 C ATOM 973 O ILE A 59 7.075 7.298 7.012 1.00 0.00 O ATOM 974 CB ILE A 59 9.234 9.613 7.656 1.00 0.00 C ATOM 975 CG1 ILE A 59 10.182 10.335 8.620 1.00 0.00 C ATOM 976 CG2 ILE A 59 8.694 10.577 6.603 1.00 0.00 C ATOM 977 CD1 ILE A 59 11.388 10.952 7.942 1.00 0.00 C ATOM 0 H ILE A 59 8.706 6.977 8.791 1.00 0.00 H new ATOM 0 HA ILE A 59 7.628 9.681 9.105 1.00 0.00 H new ATOM 0 HB ILE A 59 9.793 8.834 7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.630 11.117 9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.524 9.629 9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.526 11.033 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.063 10.032 5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.107 11.356 7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.012 11.445 8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.964 10.172 7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.056 11.684 7.205 1.00 0.00 H new ATOM 989 N THR A 60 6.097 9.325 7.091 1.00 0.00 N ATOM 990 CA THR A 60 5.048 8.980 6.142 1.00 0.00 C ATOM 991 C THR A 60 5.463 9.396 4.731 1.00 0.00 C ATOM 992 O THR A 60 6.265 10.316 4.568 1.00 0.00 O ATOM 993 CB THR A 60 3.746 9.676 6.527 1.00 0.00 C ATOM 994 OG1 THR A 60 2.711 9.344 5.619 1.00 0.00 O ATOM 995 CG2 THR A 60 3.871 11.182 6.552 1.00 0.00 C ATOM 0 H THR A 60 6.047 10.280 7.445 1.00 0.00 H new ATOM 0 HA THR A 60 4.893 7.901 6.163 1.00 0.00 H new ATOM 0 HB THR A 60 3.511 9.325 7.532 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.854 9.665 5.969 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.914 11.622 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.630 11.472 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.159 11.540 5.563 1.00 0.00 H new ATOM 1003 N GLN A 61 4.922 8.722 3.715 1.00 0.00 N ATOM 1004 CA GLN A 61 5.260 9.043 2.329 1.00 0.00 C ATOM 1005 C GLN A 61 4.490 8.159 1.348 1.00 0.00 C ATOM 1006 O GLN A 61 4.418 6.942 1.522 1.00 0.00 O ATOM 1007 CB GLN A 61 6.767 8.884 2.113 1.00 0.00 C ATOM 1008 CG GLN A 61 7.306 7.548 2.597 1.00 0.00 C ATOM 1009 CD GLN A 61 8.820 7.505 2.623 1.00 0.00 C ATOM 1010 OE1 GLN A 61 9.464 8.331 3.270 1.00 0.00 O ATOM 1011 NE2 GLN A 61 9.398 6.535 1.929 1.00 0.00 N ATOM 0 H GLN A 61 4.255 7.958 3.824 1.00 0.00 H new ATOM 0 HA GLN A 61 4.974 10.078 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.988 8.994 1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.288 9.688 2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.923 7.347 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.935 6.754 1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.826 5.871 1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.415 6.452 1.917 1.00 0.00 H new ATOM 1020 N PRO A 62 3.902 8.765 0.300 1.00 0.00 N ATOM 1021 CA PRO A 62 3.135 8.037 -0.710 1.00 0.00 C ATOM 1022 C PRO A 62 4.025 7.423 -1.784 1.00 0.00 C ATOM 1023 O PRO A 62 4.506 8.128 -2.670 1.00 0.00 O ATOM 1024 CB PRO A 62 2.255 9.131 -1.311 1.00 0.00 C ATOM 1025 CG PRO A 62 3.088 10.354 -1.236 1.00 0.00 C ATOM 1026 CD PRO A 62 3.934 10.215 0.015 1.00 0.00 C ATOM 0 HA PRO A 62 2.584 7.197 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.980 8.900 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.327 9.247 -0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.716 10.452 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.465 11.247 -1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.952 10.569 -0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.524 10.795 0.842 1.00 0.00 H new ATOM 1034 N PHE A 63 4.242 6.109 -1.688 1.00 0.00 N ATOM 1035 CA PHE A 63 5.083 5.380 -2.652 1.00 0.00 C ATOM 1036 C PHE A 63 5.074 6.049 -4.032 1.00 0.00 C ATOM 1037 O PHE A 63 4.148 5.831 -4.814 1.00 0.00 O ATOM 1038 CB PHE A 63 4.629 3.923 -2.807 1.00 0.00 C ATOM 1039 CG PHE A 63 5.621 2.937 -2.252 1.00 0.00 C ATOM 1040 CD1 PHE A 63 5.758 2.762 -0.881 1.00 0.00 C ATOM 1041 CD2 PHE A 63 6.422 2.183 -3.101 1.00 0.00 C ATOM 1042 CE1 PHE A 63 6.670 1.858 -0.373 1.00 0.00 C ATOM 1043 CE2 PHE A 63 7.333 1.281 -2.594 1.00 0.00 C ATOM 1044 CZ PHE A 63 7.458 1.117 -1.230 1.00 0.00 C ATOM 0 H PHE A 63 3.848 5.523 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 63 6.096 5.401 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.672 3.791 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.465 3.710 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.145 3.339 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.330 2.305 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.767 1.731 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.950 0.702 -3.266 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.171 0.410 -0.833 1.00 0.00 H new ATOM 1054 N PRO A 64 6.088 6.892 -4.358 1.00 0.00 N ATOM 1055 CA PRO A 64 6.161 7.591 -5.635 1.00 0.00 C ATOM 1056 C PRO A 64 7.206 7.025 -6.616 1.00 0.00 C ATOM 1057 O PRO A 64 7.919 7.798 -7.256 1.00 0.00 O ATOM 1058 CB PRO A 64 6.620 8.957 -5.157 1.00 0.00 C ATOM 1059 CG PRO A 64 7.621 8.637 -4.088 1.00 0.00 C ATOM 1060 CD PRO A 64 7.234 7.284 -3.517 1.00 0.00 C ATOM 0 HA PRO A 64 5.226 7.538 -6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.067 9.535 -5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.790 9.545 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.630 8.609 -4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.614 9.401 -3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.051 6.566 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.959 7.353 -2.464 1.00 0.00 H new ATOM 1068 N PRO A 65 7.336 5.687 -6.762 1.00 0.00 N ATOM 1069 CA PRO A 65 8.318 5.098 -7.677 1.00 0.00 C ATOM 1070 C PRO A 65 7.848 5.122 -9.127 1.00 0.00 C ATOM 1071 O PRO A 65 6.629 5.281 -9.351 1.00 0.00 O ATOM 1072 CB PRO A 65 8.418 3.664 -7.166 1.00 0.00 C ATOM 1073 CG PRO A 65 7.038 3.362 -6.722 1.00 0.00 C ATOM 1074 CD PRO A 65 6.562 4.640 -6.063 1.00 0.00 C ATOM 1075 OXT PRO A 65 8.702 4.982 -10.028 1.00 0.00 O ATOM 0 HA PRO A 65 9.264 5.639 -7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.747 2.980 -7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.132 3.578 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.401 3.089 -7.564 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.020 2.525 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.488 4.782 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.761 4.639 -4.991 1.00 0.00 H new TER 1083 PRO A 65