USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 643 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0864 X(o=-0.086,f=-0.58) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 18 THR OG1 : rot -33:sc= 1.1 USER MOD Single : A 19 SER OG : rot 100:sc= 0.144 USER MOD Single : A 20 MET CE :methyl 171:sc= 0 (180deg=-0.112) USER MOD Single : A 24 TYR OH : rot 30:sc= -0.139 USER MOD Single : A 30 MET CE :methyl -154:sc= -2.13 (180deg=-3.48!) USER MOD Single : A 41 GLN : amide:sc=-0.00389 X(o=-0.0039,f=-0.037) USER MOD Single : A 43 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.87) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= -0.0372 (180deg=-0.0835) USER MOD Single : A 46 GLN : amide:sc= -0.128 K(o=-0.13,f=-4.2!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -84:sc= 0.824 USER MOD Single : A 51 CYS SG : rot -60:sc= -1.85 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.0346 (180deg=-0.254) USER MOD Single : A 54 GLN : amide:sc= -1.04 K(o=-1,f=-0.37) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.36 USER MOD Single : A 66 SER OG : rot 160:sc= -2.14! USER MOD Single : A 68 SER OG : rot -8:sc= 1.27 USER MOD Single : A 75 SER OG : rot -97:sc= -0.144! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0455) USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.869) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.579 5.550 -0.137 1.00 0.00 N ATOM 32 CA SER A 7 14.403 4.512 0.456 1.00 0.00 C ATOM 33 C SER A 7 13.904 3.130 0.029 1.00 0.00 C ATOM 34 O SER A 7 12.781 2.989 -0.450 1.00 0.00 O ATOM 35 CB SER A 7 14.397 4.647 1.983 1.00 0.00 C ATOM 36 OG SER A 7 15.341 3.779 2.595 1.00 0.00 O ATOM 0 HA SER A 7 15.428 4.626 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.621 5.678 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.400 4.425 2.363 1.00 0.00 H new ATOM 0 HG SER A 7 15.309 3.895 3.568 1.00 0.00 H new ATOM 42 N GLN A 8 14.754 2.125 0.200 1.00 0.00 N ATOM 43 CA GLN A 8 14.432 0.742 -0.141 1.00 0.00 C ATOM 44 C GLN A 8 15.480 -0.215 0.422 1.00 0.00 C ATOM 45 O GLN A 8 16.614 0.183 0.696 1.00 0.00 O ATOM 46 CB GLN A 8 14.287 0.534 -1.663 1.00 0.00 C ATOM 47 CG GLN A 8 15.159 1.430 -2.540 1.00 0.00 C ATOM 48 CD GLN A 8 16.645 1.274 -2.287 1.00 0.00 C ATOM 49 OE1 GLN A 8 17.231 1.995 -1.477 1.00 0.00 O ATOM 50 NE2 GLN A 8 17.266 0.330 -2.971 1.00 0.00 N ATOM 0 H GLN A 8 15.692 2.246 0.581 1.00 0.00 H new ATOM 0 HA GLN A 8 13.467 0.522 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.520 -0.506 -1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.244 0.695 -1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.953 1.209 -3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.879 2.470 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.746 -0.246 -3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.266 0.177 -2.838 1.00 0.00 H new ATOM 59 N LEU A 9 15.078 -1.461 0.618 1.00 0.00 N ATOM 60 CA LEU A 9 15.966 -2.506 1.112 1.00 0.00 C ATOM 61 C LEU A 9 15.733 -3.800 0.348 1.00 0.00 C ATOM 62 O LEU A 9 14.719 -4.463 0.541 1.00 0.00 O ATOM 63 CB LEU A 9 15.729 -2.768 2.606 1.00 0.00 C ATOM 64 CG LEU A 9 15.949 -1.571 3.533 1.00 0.00 C ATOM 65 CD1 LEU A 9 15.506 -1.905 4.947 1.00 0.00 C ATOM 66 CD2 LEU A 9 17.413 -1.153 3.523 1.00 0.00 C ATOM 0 H LEU A 9 14.125 -1.778 0.439 1.00 0.00 H new ATOM 0 HA LEU A 9 16.991 -2.165 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.706 -3.122 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.388 -3.576 2.923 1.00 0.00 H new ATOM 0 HG LEU A 9 15.347 -0.738 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.670 -1.042 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.447 -2.161 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.083 -2.751 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.552 -0.300 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.031 -1.984 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.705 -0.875 2.510 1.00 0.00 H new ATOM 78 N GLY A 10 16.660 -4.152 -0.528 1.00 0.00 N ATOM 79 CA GLY A 10 16.574 -5.425 -1.226 1.00 0.00 C ATOM 80 C GLY A 10 17.848 -6.245 -1.099 1.00 0.00 C ATOM 81 O GLY A 10 18.489 -6.542 -2.107 1.00 0.00 O ATOM 0 H GLY A 10 17.471 -3.583 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.736 -5.998 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.365 -5.244 -2.280 1.00 0.00 H new ATOM 85 N PRO A 11 18.245 -6.632 0.130 1.00 0.00 N ATOM 86 CA PRO A 11 19.482 -7.378 0.355 1.00 0.00 C ATOM 87 C PRO A 11 19.306 -8.883 0.170 1.00 0.00 C ATOM 88 O PRO A 11 20.252 -9.595 -0.168 1.00 0.00 O ATOM 89 CB PRO A 11 19.810 -7.054 1.809 1.00 0.00 C ATOM 90 CG PRO A 11 18.486 -6.841 2.466 1.00 0.00 C ATOM 91 CD PRO A 11 17.531 -6.370 1.396 1.00 0.00 C ATOM 0 HA PRO A 11 20.263 -7.103 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.358 -7.869 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.435 -6.164 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.129 -7.765 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.566 -6.102 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.586 -6.912 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.297 -5.311 1.509 1.00 0.00 H new ATOM 99 N ILE A 12 18.092 -9.360 0.400 1.00 0.00 N ATOM 100 CA ILE A 12 17.794 -10.774 0.281 1.00 0.00 C ATOM 101 C ILE A 12 16.886 -11.032 -0.912 1.00 0.00 C ATOM 102 O ILE A 12 16.017 -10.219 -1.236 1.00 0.00 O ATOM 103 CB ILE A 12 17.156 -11.336 1.570 1.00 0.00 C ATOM 104 CG1 ILE A 12 15.986 -10.461 2.025 1.00 0.00 C ATOM 105 CG2 ILE A 12 18.207 -11.443 2.665 1.00 0.00 C ATOM 106 CD1 ILE A 12 15.298 -10.969 3.274 1.00 0.00 C ATOM 0 H ILE A 12 17.296 -8.783 0.671 1.00 0.00 H new ATOM 0 HA ILE A 12 18.740 -11.293 0.125 1.00 0.00 H new ATOM 0 HB ILE A 12 16.766 -12.332 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 12 16.349 -9.449 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.256 -10.398 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 12 17.749 -11.840 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 12 19.005 -12.110 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.620 -10.456 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.479 -10.299 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.904 -11.969 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.014 -11.006 4.095 1.00 0.00 H new ATOM 118 N HIS A 13 17.105 -12.163 -1.563 1.00 0.00 N ATOM 119 CA HIS A 13 16.438 -12.475 -2.821 1.00 0.00 C ATOM 120 C HIS A 13 15.098 -13.227 -2.676 1.00 0.00 C ATOM 121 O HIS A 13 14.331 -13.243 -3.642 1.00 0.00 O ATOM 122 CB HIS A 13 17.380 -13.258 -3.737 1.00 0.00 C ATOM 123 CG HIS A 13 18.526 -12.438 -4.235 1.00 0.00 C ATOM 124 ND1 HIS A 13 19.841 -12.691 -3.907 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.548 -11.357 -5.047 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.618 -11.798 -4.490 1.00 0.00 C ATOM 127 NE2 HIS A 13 19.857 -10.977 -5.185 1.00 0.00 N ATOM 0 H HIS A 13 17.745 -12.888 -1.239 1.00 0.00 H new ATOM 0 HA HIS A 13 16.186 -11.510 -3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.767 -14.123 -3.198 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.816 -13.639 -4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.692 -10.881 -5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.694 -11.748 -4.411 1.00 0.00 H new ATOM 0 HE2 HIS A 13 20.189 -10.186 -5.737 1.00 0.00 H new ATOM 136 N PRO A 14 14.799 -13.917 -1.533 1.00 0.00 N ATOM 137 CA PRO A 14 13.457 -14.438 -1.264 1.00 0.00 C ATOM 138 C PRO A 14 12.349 -13.464 -1.672 1.00 0.00 C ATOM 139 O PRO A 14 12.565 -12.252 -1.709 1.00 0.00 O ATOM 140 CB PRO A 14 13.452 -14.610 0.250 1.00 0.00 C ATOM 141 CG PRO A 14 14.860 -14.923 0.607 1.00 0.00 C ATOM 142 CD PRO A 14 15.737 -14.346 -0.479 1.00 0.00 C ATOM 0 HA PRO A 14 13.261 -15.350 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.111 -13.703 0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.780 -15.413 0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.115 -14.494 1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.006 -16.000 0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.326 -13.507 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.441 -15.088 -0.855 1.00 0.00 H new ATOM 150 N PRO A 15 11.148 -13.985 -1.975 1.00 0.00 N ATOM 151 CA PRO A 15 9.994 -13.170 -2.379 1.00 0.00 C ATOM 152 C PRO A 15 9.774 -11.950 -1.478 1.00 0.00 C ATOM 153 O PRO A 15 10.129 -11.963 -0.296 1.00 0.00 O ATOM 154 CB PRO A 15 8.826 -14.148 -2.250 1.00 0.00 C ATOM 155 CG PRO A 15 9.426 -15.482 -2.516 1.00 0.00 C ATOM 156 CD PRO A 15 10.820 -15.424 -1.957 1.00 0.00 C ATOM 0 HA PRO A 15 10.123 -12.750 -3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.380 -14.104 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.036 -13.919 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.847 -16.273 -2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.442 -15.697 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.863 -15.831 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.518 -16.001 -2.563 1.00 0.00 H new ATOM 164 N PRO A 16 9.161 -10.888 -2.036 1.00 0.00 N ATOM 165 CA PRO A 16 8.921 -9.608 -1.343 1.00 0.00 C ATOM 166 C PRO A 16 7.953 -9.709 -0.166 1.00 0.00 C ATOM 167 O PRO A 16 7.319 -8.723 0.206 1.00 0.00 O ATOM 168 CB PRO A 16 8.306 -8.726 -2.430 1.00 0.00 C ATOM 169 CG PRO A 16 7.729 -9.679 -3.401 1.00 0.00 C ATOM 170 CD PRO A 16 8.663 -10.849 -3.418 1.00 0.00 C ATOM 0 HA PRO A 16 9.846 -9.230 -0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.541 -8.066 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.058 -8.090 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.725 -9.983 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.646 -9.229 -4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.150 -11.772 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.472 -10.711 -4.136 1.00 0.00 H new ATOM 178 N ARG A 17 7.847 -10.892 0.411 1.00 0.00 N ATOM 179 CA ARG A 17 7.025 -11.105 1.587 1.00 0.00 C ATOM 180 C ARG A 17 7.675 -10.455 2.799 1.00 0.00 C ATOM 181 O ARG A 17 7.003 -10.096 3.765 1.00 0.00 O ATOM 182 CB ARG A 17 6.835 -12.604 1.825 1.00 0.00 C ATOM 183 CG ARG A 17 8.148 -13.356 1.945 1.00 0.00 C ATOM 184 CD ARG A 17 7.942 -14.846 2.158 1.00 0.00 C ATOM 185 NE ARG A 17 7.363 -15.502 0.985 1.00 0.00 N ATOM 186 CZ ARG A 17 7.280 -16.826 0.847 1.00 0.00 C ATOM 187 NH1 ARG A 17 7.617 -17.620 1.858 1.00 0.00 N ATOM 188 NH2 ARG A 17 6.823 -17.359 -0.283 1.00 0.00 N ATOM 0 H ARG A 17 8.326 -11.729 0.079 1.00 0.00 H new ATOM 0 HA ARG A 17 6.048 -10.649 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.254 -12.751 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.255 -13.026 1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.738 -13.199 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.723 -12.948 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.898 -15.312 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.289 -15.001 3.017 1.00 0.00 H new ATOM 0 HE ARG A 17 7.003 -14.915 0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.939 -17.217 2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.554 -18.633 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.533 -16.754 -1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.763 -18.372 -0.381 1.00 0.00 H new ATOM 202 N THR A 18 8.991 -10.296 2.726 1.00 0.00 N ATOM 203 CA THR A 18 9.764 -9.755 3.831 1.00 0.00 C ATOM 204 C THR A 18 11.147 -9.296 3.358 1.00 0.00 C ATOM 205 O THR A 18 12.016 -8.969 4.168 1.00 0.00 O ATOM 206 CB THR A 18 9.916 -10.824 4.935 1.00 0.00 C ATOM 207 OG1 THR A 18 10.703 -10.330 6.029 1.00 0.00 O ATOM 208 CG2 THR A 18 10.556 -12.088 4.367 1.00 0.00 C ATOM 0 H THR A 18 9.546 -10.537 1.905 1.00 0.00 H new ATOM 0 HA THR A 18 9.234 -8.891 4.231 1.00 0.00 H new ATOM 0 HB THR A 18 8.920 -11.063 5.307 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.386 -9.715 5.689 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.656 -12.832 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.928 -12.487 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.541 -11.849 3.967 1.00 0.00 H new ATOM 216 N SER A 19 11.341 -9.246 2.047 1.00 0.00 N ATOM 217 CA SER A 19 12.656 -8.967 1.496 1.00 0.00 C ATOM 218 C SER A 19 12.757 -7.551 0.946 1.00 0.00 C ATOM 219 O SER A 19 13.182 -6.647 1.663 1.00 0.00 O ATOM 220 CB SER A 19 13.002 -10.002 0.430 1.00 0.00 C ATOM 221 OG SER A 19 12.819 -11.315 0.929 1.00 0.00 O ATOM 0 H SER A 19 10.610 -9.394 1.352 1.00 0.00 H new ATOM 0 HA SER A 19 13.383 -9.038 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.374 -9.851 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.036 -9.870 0.110 1.00 0.00 H new ATOM 0 HG SER A 19 11.963 -11.670 0.610 1.00 0.00 H new ATOM 227 N MET A 20 12.365 -7.350 -0.311 1.00 0.00 N ATOM 228 CA MET A 20 12.453 -6.033 -0.928 1.00 0.00 C ATOM 229 C MET A 20 11.451 -5.069 -0.301 1.00 0.00 C ATOM 230 O MET A 20 10.331 -4.902 -0.783 1.00 0.00 O ATOM 231 CB MET A 20 12.240 -6.110 -2.443 1.00 0.00 C ATOM 232 CG MET A 20 10.991 -6.867 -2.850 1.00 0.00 C ATOM 233 SD MET A 20 10.571 -6.645 -4.591 1.00 0.00 S ATOM 234 CE MET A 20 11.967 -7.438 -5.385 1.00 0.00 C ATOM 0 H MET A 20 11.986 -8.078 -0.916 1.00 0.00 H new ATOM 0 HA MET A 20 13.459 -5.655 -0.747 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.187 -5.098 -2.844 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.107 -6.588 -2.898 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.134 -7.929 -2.649 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.155 -6.536 -2.235 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.776 -7.524 -6.455 1.00 0.00 H new ATOM 0 HE2 MET A 20 12.865 -6.841 -5.223 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.111 -8.432 -4.961 1.00 0.00 H new ATOM 244 N THR A 21 11.861 -4.450 0.787 1.00 0.00 N ATOM 245 CA THR A 21 11.038 -3.471 1.454 1.00 0.00 C ATOM 246 C THR A 21 11.311 -2.100 0.860 1.00 0.00 C ATOM 247 O THR A 21 12.409 -1.572 0.991 1.00 0.00 O ATOM 248 CB THR A 21 11.341 -3.448 2.963 1.00 0.00 C ATOM 249 OG1 THR A 21 11.243 -4.776 3.494 1.00 0.00 O ATOM 250 CG2 THR A 21 10.383 -2.524 3.703 1.00 0.00 C ATOM 0 H THR A 21 12.766 -4.612 1.228 1.00 0.00 H new ATOM 0 HA THR A 21 9.990 -3.735 1.314 1.00 0.00 H new ATOM 0 HB THR A 21 12.353 -3.069 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.438 -4.760 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.622 -2.529 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.481 -1.511 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.360 -2.870 3.559 1.00 0.00 H new ATOM 258 N GLU A 22 10.324 -1.528 0.203 1.00 0.00 N ATOM 259 CA GLU A 22 10.491 -0.213 -0.376 1.00 0.00 C ATOM 260 C GLU A 22 9.945 0.820 0.588 1.00 0.00 C ATOM 261 O GLU A 22 8.767 0.782 0.944 1.00 0.00 O ATOM 262 CB GLU A 22 9.794 -0.140 -1.741 1.00 0.00 C ATOM 263 CG GLU A 22 9.947 1.198 -2.455 1.00 0.00 C ATOM 264 CD GLU A 22 9.885 1.060 -3.965 1.00 0.00 C ATOM 265 OE1 GLU A 22 8.911 0.475 -4.479 1.00 0.00 O ATOM 266 OE2 GLU A 22 10.825 1.507 -4.649 1.00 0.00 O ATOM 0 H GLU A 22 9.406 -1.948 0.058 1.00 0.00 H new ATOM 0 HA GLU A 22 11.549 -0.009 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.192 -0.927 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.732 -0.346 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.161 1.876 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.898 1.650 -2.173 1.00 0.00 H new ATOM 273 N GLU A 23 10.806 1.713 1.040 1.00 0.00 N ATOM 274 CA GLU A 23 10.403 2.712 2.006 1.00 0.00 C ATOM 275 C GLU A 23 9.925 3.954 1.280 1.00 0.00 C ATOM 276 O GLU A 23 10.722 4.718 0.722 1.00 0.00 O ATOM 277 CB GLU A 23 11.559 3.053 2.951 1.00 0.00 C ATOM 278 CG GLU A 23 11.192 4.041 4.049 1.00 0.00 C ATOM 279 CD GLU A 23 10.367 3.415 5.155 1.00 0.00 C ATOM 280 OE1 GLU A 23 9.219 3.007 4.894 1.00 0.00 O ATOM 281 OE2 GLU A 23 10.871 3.339 6.293 1.00 0.00 O ATOM 0 H GLU A 23 11.784 1.765 0.754 1.00 0.00 H new ATOM 0 HA GLU A 23 9.587 2.312 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.922 2.134 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.382 3.464 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.104 4.458 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.636 4.871 3.613 1.00 0.00 H new ATOM 288 N TYR A 24 8.629 4.154 1.299 1.00 0.00 N ATOM 289 CA TYR A 24 8.020 5.248 0.584 1.00 0.00 C ATOM 290 C TYR A 24 7.930 6.470 1.469 1.00 0.00 C ATOM 291 O TYR A 24 7.141 6.520 2.412 1.00 0.00 O ATOM 292 CB TYR A 24 6.630 4.847 0.095 1.00 0.00 C ATOM 293 CG TYR A 24 6.587 4.502 -1.370 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.871 3.219 -1.817 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.260 5.465 -2.307 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.828 2.910 -3.161 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.214 5.168 -3.651 1.00 0.00 C ATOM 298 CZ TYR A 24 6.499 3.888 -4.076 1.00 0.00 C ATOM 299 OH TYR A 24 6.455 3.586 -5.417 1.00 0.00 O ATOM 0 H TYR A 24 7.970 3.565 1.808 1.00 0.00 H new ATOM 0 HA TYR A 24 8.641 5.489 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.283 3.990 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.935 5.664 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.129 2.451 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.036 6.469 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.051 1.907 -3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.956 5.934 -4.368 1.00 0.00 H new ATOM 0 HH TYR A 24 6.205 2.646 -5.532 1.00 0.00 H new ATOM 309 N ARG A 25 8.754 7.452 1.160 1.00 0.00 N ATOM 310 CA ARG A 25 8.734 8.707 1.875 1.00 0.00 C ATOM 311 C ARG A 25 7.755 9.631 1.186 1.00 0.00 C ATOM 312 O ARG A 25 8.050 10.219 0.145 1.00 0.00 O ATOM 313 CB ARG A 25 10.127 9.321 1.923 1.00 0.00 C ATOM 314 CG ARG A 25 11.195 8.327 2.341 1.00 0.00 C ATOM 315 CD ARG A 25 12.520 9.007 2.613 1.00 0.00 C ATOM 316 NE ARG A 25 12.846 9.998 1.595 1.00 0.00 N ATOM 317 CZ ARG A 25 14.048 10.142 1.052 1.00 0.00 C ATOM 318 NH1 ARG A 25 15.048 9.348 1.414 1.00 0.00 N ATOM 319 NH2 ARG A 25 14.243 11.091 0.147 1.00 0.00 N ATOM 0 H ARG A 25 9.448 7.401 0.414 1.00 0.00 H new ATOM 0 HA ARG A 25 8.419 8.544 2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.376 9.723 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.125 10.160 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.868 7.797 3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.324 7.581 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.486 9.489 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.310 8.257 2.655 1.00 0.00 H new ATOM 0 HE ARG A 25 12.102 10.621 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.895 8.622 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.970 9.464 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.473 11.702 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.163 11.210 -0.277 1.00 0.00 H new ATOM 333 N VAL A 26 6.572 9.706 1.753 1.00 0.00 N ATOM 334 CA VAL A 26 5.463 10.378 1.115 1.00 0.00 C ATOM 335 C VAL A 26 5.032 11.610 1.900 1.00 0.00 C ATOM 336 O VAL A 26 4.887 11.569 3.123 1.00 0.00 O ATOM 337 CB VAL A 26 4.279 9.393 0.921 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.218 8.383 2.052 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.951 10.124 0.805 1.00 0.00 C ATOM 0 H VAL A 26 6.352 9.305 2.665 1.00 0.00 H new ATOM 0 HA VAL A 26 5.791 10.721 0.134 1.00 0.00 H new ATOM 0 HB VAL A 26 4.457 8.863 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.379 7.706 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.146 7.811 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.085 8.905 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.148 9.400 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.772 10.700 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.980 10.797 -0.052 1.00 0.00 H new ATOM 349 N PRO A 27 4.842 12.734 1.185 1.00 0.00 N ATOM 350 CA PRO A 27 4.374 13.986 1.778 1.00 0.00 C ATOM 351 C PRO A 27 3.026 13.784 2.447 1.00 0.00 C ATOM 352 O PRO A 27 2.123 13.176 1.872 1.00 0.00 O ATOM 353 CB PRO A 27 4.247 14.931 0.577 1.00 0.00 C ATOM 354 CG PRO A 27 5.116 14.336 -0.474 1.00 0.00 C ATOM 355 CD PRO A 27 5.049 12.855 -0.264 1.00 0.00 C ATOM 0 HA PRO A 27 5.043 14.370 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.213 15.004 0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.571 15.940 0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.767 14.606 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.140 14.698 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.232 12.404 -0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.967 12.361 -0.583 1.00 0.00 H new ATOM 363 N ASP A 28 2.905 14.300 3.664 1.00 0.00 N ATOM 364 CA ASP A 28 1.788 13.968 4.545 1.00 0.00 C ATOM 365 C ASP A 28 0.421 14.289 3.932 1.00 0.00 C ATOM 366 O ASP A 28 -0.556 13.582 4.187 1.00 0.00 O ATOM 367 CB ASP A 28 1.946 14.684 5.885 1.00 0.00 C ATOM 368 CG ASP A 28 0.834 14.341 6.852 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.902 13.265 7.478 1.00 0.00 O ATOM 370 OD2 ASP A 28 -0.106 15.154 6.995 1.00 0.00 O ATOM 0 H ASP A 28 3.573 14.957 4.068 1.00 0.00 H new ATOM 0 HA ASP A 28 1.817 12.889 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.905 14.415 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.962 15.761 5.720 1.00 0.00 H new ATOM 375 N GLY A 29 0.353 15.332 3.111 1.00 0.00 N ATOM 376 CA GLY A 29 -0.900 15.674 2.455 1.00 0.00 C ATOM 377 C GLY A 29 -1.328 14.603 1.469 1.00 0.00 C ATOM 378 O GLY A 29 -2.523 14.338 1.279 1.00 0.00 O ATOM 0 H GLY A 29 1.137 15.945 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.679 15.810 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.790 16.625 1.934 1.00 0.00 H new ATOM 382 N MET A 30 -0.343 13.943 0.875 1.00 0.00 N ATOM 383 CA MET A 30 -0.612 12.884 -0.085 1.00 0.00 C ATOM 384 C MET A 30 -0.995 11.615 0.656 1.00 0.00 C ATOM 385 O MET A 30 -1.548 10.686 0.075 1.00 0.00 O ATOM 386 CB MET A 30 0.605 12.629 -0.979 1.00 0.00 C ATOM 387 CG MET A 30 1.087 13.862 -1.726 1.00 0.00 C ATOM 388 SD MET A 30 -0.228 14.691 -2.646 1.00 0.00 S ATOM 389 CE MET A 30 -0.709 13.410 -3.800 1.00 0.00 C ATOM 0 H MET A 30 0.647 14.123 1.041 1.00 0.00 H new ATOM 0 HA MET A 30 -1.437 13.195 -0.725 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.420 12.245 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.357 11.852 -1.702 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.523 14.564 -1.015 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.880 13.575 -2.416 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.139 13.866 -4.691 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.167 12.824 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.448 12.758 -3.333 1.00 0.00 H new ATOM 399 N VAL A 31 -0.705 11.589 1.950 1.00 0.00 N ATOM 400 CA VAL A 31 -1.135 10.496 2.806 1.00 0.00 C ATOM 401 C VAL A 31 -2.631 10.606 3.035 1.00 0.00 C ATOM 402 O VAL A 31 -3.352 9.610 3.026 1.00 0.00 O ATOM 403 CB VAL A 31 -0.409 10.509 4.163 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.773 9.283 4.987 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.088 10.589 3.950 1.00 0.00 C ATOM 0 H VAL A 31 -0.172 12.315 2.429 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.889 9.559 2.307 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.730 11.390 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.247 9.316 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.848 9.271 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.485 8.382 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.593 10.598 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.420 9.725 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.330 11.502 3.406 1.00 0.00 H new ATOM 415 N GLY A 32 -3.094 11.834 3.210 1.00 0.00 N ATOM 416 CA GLY A 32 -4.516 12.079 3.317 1.00 0.00 C ATOM 417 C GLY A 32 -5.245 11.688 2.047 1.00 0.00 C ATOM 418 O GLY A 32 -6.425 11.338 2.073 1.00 0.00 O ATOM 0 H GLY A 32 -2.509 12.667 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.921 11.516 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.689 13.134 3.527 1.00 0.00 H new ATOM 422 N LEU A 33 -4.541 11.753 0.925 1.00 0.00 N ATOM 423 CA LEU A 33 -5.114 11.335 -0.349 1.00 0.00 C ATOM 424 C LEU A 33 -4.963 9.826 -0.596 1.00 0.00 C ATOM 425 O LEU A 33 -5.808 9.223 -1.262 1.00 0.00 O ATOM 426 CB LEU A 33 -4.485 12.120 -1.500 1.00 0.00 C ATOM 427 CG LEU A 33 -4.749 13.628 -1.474 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.067 14.312 -2.646 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.244 13.907 -1.497 1.00 0.00 C ATOM 0 H LEU A 33 -3.579 12.088 0.870 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.182 11.550 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.408 11.955 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.858 11.717 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.334 14.031 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.267 15.383 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.992 14.142 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.452 13.903 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.414 14.984 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.679 13.487 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.713 13.451 -0.625 1.00 0.00 H new ATOM 441 N ILE A 34 -3.905 9.208 -0.061 1.00 0.00 N ATOM 442 CA ILE A 34 -3.672 7.776 -0.279 1.00 0.00 C ATOM 443 C ILE A 34 -4.678 6.953 0.524 1.00 0.00 C ATOM 444 O ILE A 34 -5.022 5.827 0.163 1.00 0.00 O ATOM 445 CB ILE A 34 -2.221 7.346 0.088 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.932 5.935 -0.427 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.980 7.398 1.588 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.933 5.834 -1.934 1.00 0.00 C ATOM 0 H ILE A 34 -3.204 9.669 0.519 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.806 7.587 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.545 8.054 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.963 5.610 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.677 5.249 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.956 7.091 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.136 8.415 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.674 6.725 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.721 4.807 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.910 6.128 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.168 6.494 -2.343 1.00 0.00 H new ATOM 460 N ILE A 35 -5.158 7.538 1.606 1.00 0.00 N ATOM 461 CA ILE A 35 -6.187 6.916 2.418 1.00 0.00 C ATOM 462 C ILE A 35 -7.573 7.180 1.834 1.00 0.00 C ATOM 463 O ILE A 35 -8.556 6.556 2.246 1.00 0.00 O ATOM 464 CB ILE A 35 -6.138 7.397 3.880 1.00 0.00 C ATOM 465 CG1 ILE A 35 -6.196 8.923 3.958 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.896 6.861 4.572 1.00 0.00 C ATOM 467 CD1 ILE A 35 -6.141 9.471 5.369 1.00 0.00 C ATOM 0 H ILE A 35 -4.849 8.449 1.944 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.992 5.844 2.409 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.014 7.007 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.366 9.337 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.114 9.266 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.876 7.210 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.913 5.771 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.007 7.217 4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.187 10.560 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.986 9.088 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.210 9.160 5.844 1.00 0.00 H new ATOM 479 N GLY A 36 -7.642 8.133 0.901 1.00 0.00 N ATOM 480 CA GLY A 36 -8.875 8.408 0.174 1.00 0.00 C ATOM 481 C GLY A 36 -10.011 8.876 1.062 1.00 0.00 C ATOM 482 O GLY A 36 -10.069 10.044 1.441 1.00 0.00 O ATOM 0 H GLY A 36 -6.856 8.725 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.679 9.168 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.185 7.506 -0.353 1.00 0.00 H new ATOM 486 N ARG A 37 -10.917 7.954 1.381 1.00 0.00 N ATOM 487 CA ARG A 37 -12.059 8.234 2.256 1.00 0.00 C ATOM 488 C ARG A 37 -11.604 8.686 3.644 1.00 0.00 C ATOM 489 O ARG A 37 -12.399 9.211 4.428 1.00 0.00 O ATOM 490 CB ARG A 37 -12.947 6.992 2.395 1.00 0.00 C ATOM 491 CG ARG A 37 -12.214 5.770 2.927 1.00 0.00 C ATOM 492 CD ARG A 37 -11.800 4.828 1.809 1.00 0.00 C ATOM 493 NE ARG A 37 -12.926 4.065 1.275 1.00 0.00 N ATOM 494 CZ ARG A 37 -12.965 3.556 0.046 1.00 0.00 C ATOM 495 NH1 ARG A 37 -11.977 3.792 -0.806 1.00 0.00 N ATOM 496 NH2 ARG A 37 -14.004 2.831 -0.341 1.00 0.00 N ATOM 0 H ARG A 37 -10.882 6.993 1.042 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.629 9.042 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.778 7.224 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.375 6.752 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.330 6.089 3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.856 5.239 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.341 5.403 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.042 4.139 2.181 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.732 3.913 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.183 4.365 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.011 3.400 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.776 2.662 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.032 2.442 -1.283 1.00 0.00 H new ATOM 510 N GLY A 38 -10.334 8.468 3.943 1.00 0.00 N ATOM 511 CA GLY A 38 -9.790 8.884 5.215 1.00 0.00 C ATOM 512 C GLY A 38 -9.192 7.731 5.993 1.00 0.00 C ATOM 513 O GLY A 38 -9.175 7.745 7.221 1.00 0.00 O ATOM 0 H GLY A 38 -9.668 8.008 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.025 9.642 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.577 9.350 5.809 1.00 0.00 H new ATOM 517 N GLY A 39 -8.724 6.716 5.278 1.00 0.00 N ATOM 518 CA GLY A 39 -8.011 5.631 5.921 1.00 0.00 C ATOM 519 C GLY A 39 -8.261 4.290 5.267 1.00 0.00 C ATOM 520 O GLY A 39 -7.323 3.583 4.904 1.00 0.00 O ATOM 0 H GLY A 39 -8.825 6.625 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.942 5.844 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.308 5.579 6.969 1.00 0.00 H new ATOM 524 N GLU A 40 -9.529 3.960 5.093 1.00 0.00 N ATOM 525 CA GLU A 40 -9.938 2.636 4.630 1.00 0.00 C ATOM 526 C GLU A 40 -9.361 2.260 3.257 1.00 0.00 C ATOM 527 O GLU A 40 -9.199 1.077 2.966 1.00 0.00 O ATOM 528 CB GLU A 40 -11.464 2.563 4.569 1.00 0.00 C ATOM 529 CG GLU A 40 -12.002 1.152 4.428 1.00 0.00 C ATOM 530 CD GLU A 40 -11.893 0.361 5.713 1.00 0.00 C ATOM 531 OE1 GLU A 40 -10.803 -0.172 6.009 1.00 0.00 O ATOM 532 OE2 GLU A 40 -12.904 0.276 6.442 1.00 0.00 O ATOM 0 H GLU A 40 -10.306 4.597 5.267 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.539 1.921 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.877 3.011 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.814 3.162 3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.046 1.194 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.456 0.635 3.639 1.00 0.00 H new ATOM 539 N GLN A 41 -9.044 3.248 2.415 1.00 0.00 N ATOM 540 CA GLN A 41 -8.620 2.954 1.043 1.00 0.00 C ATOM 541 C GLN A 41 -7.337 2.134 1.030 1.00 0.00 C ATOM 542 O GLN A 41 -7.270 1.091 0.382 1.00 0.00 O ATOM 543 CB GLN A 41 -8.403 4.223 0.223 1.00 0.00 C ATOM 544 CG GLN A 41 -8.310 3.956 -1.270 1.00 0.00 C ATOM 545 CD GLN A 41 -7.868 5.170 -2.056 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.687 5.988 -2.475 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.570 5.295 -2.265 1.00 0.00 N ATOM 0 H GLN A 41 -9.072 4.240 2.652 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.428 2.380 0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.223 4.916 0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.488 4.713 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.609 3.140 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.282 3.626 -1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.925 4.594 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.213 6.092 -2.791 1.00 0.00 H new ATOM 556 N ILE A 42 -6.324 2.606 1.748 1.00 0.00 N ATOM 557 CA ILE A 42 -5.061 1.890 1.814 1.00 0.00 C ATOM 558 C ILE A 42 -5.271 0.521 2.446 1.00 0.00 C ATOM 559 O ILE A 42 -4.729 -0.466 1.964 1.00 0.00 O ATOM 560 CB ILE A 42 -3.963 2.680 2.573 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.641 1.905 2.570 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.388 3.006 3.996 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.065 1.696 1.185 1.00 0.00 C ATOM 0 H ILE A 42 -6.354 3.472 2.286 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.705 1.768 0.791 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.816 3.624 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.914 2.441 3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.797 0.934 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.593 3.560 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.294 3.612 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.582 2.081 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.130 1.141 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.774 1.133 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.876 2.663 0.720 1.00 0.00 H new ATOM 575 N ASN A 43 -6.100 0.473 3.496 1.00 0.00 N ATOM 576 CA ASN A 43 -6.455 -0.780 4.152 1.00 0.00 C ATOM 577 C ASN A 43 -6.956 -1.780 3.127 1.00 0.00 C ATOM 578 O ASN A 43 -6.457 -2.900 3.040 1.00 0.00 O ATOM 579 CB ASN A 43 -7.549 -0.555 5.201 1.00 0.00 C ATOM 580 CG ASN A 43 -7.089 0.260 6.390 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.910 0.260 6.748 1.00 0.00 O ATOM 582 ND2 ASN A 43 -8.026 0.946 7.026 1.00 0.00 N ATOM 0 H ASN A 43 -6.538 1.297 3.908 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.562 -1.167 4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.394 -0.052 4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.909 -1.522 5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.783 1.502 7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.991 0.918 6.696 1.00 0.00 H new ATOM 589 N LYS A 44 -7.930 -1.347 2.339 1.00 0.00 N ATOM 590 CA LYS A 44 -8.512 -2.180 1.304 1.00 0.00 C ATOM 591 C LYS A 44 -7.441 -2.667 0.339 1.00 0.00 C ATOM 592 O LYS A 44 -7.337 -3.855 0.082 1.00 0.00 O ATOM 593 CB LYS A 44 -9.589 -1.402 0.544 1.00 0.00 C ATOM 594 CG LYS A 44 -10.314 -2.223 -0.509 1.00 0.00 C ATOM 595 CD LYS A 44 -11.007 -3.433 0.103 1.00 0.00 C ATOM 596 CE LYS A 44 -11.817 -4.201 -0.931 1.00 0.00 C ATOM 597 NZ LYS A 44 -10.963 -4.781 -2.000 1.00 0.00 N ATOM 0 H LYS A 44 -8.335 -0.413 2.401 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.969 -3.048 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.318 -1.019 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.129 -0.538 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.050 -1.598 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.603 -2.554 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.262 -4.094 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.663 -3.107 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.369 -5.000 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.554 -3.535 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.564 -5.236 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.404 -4.026 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.322 -5.488 -1.587 1.00 0.00 H new ATOM 611 N ILE A 45 -6.637 -1.741 -0.166 1.00 0.00 N ATOM 612 CA ILE A 45 -5.618 -2.061 -1.163 1.00 0.00 C ATOM 613 C ILE A 45 -4.594 -3.071 -0.643 1.00 0.00 C ATOM 614 O ILE A 45 -4.322 -4.089 -1.292 1.00 0.00 O ATOM 615 CB ILE A 45 -4.889 -0.789 -1.630 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.889 0.158 -2.288 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.755 -1.129 -2.590 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.726 -0.490 -3.368 1.00 0.00 C ATOM 0 H ILE A 45 -6.669 -0.756 0.099 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.141 -2.513 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.448 -0.297 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.551 0.561 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.348 1.001 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.257 -0.212 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.037 -1.779 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.159 -1.640 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.412 0.246 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.074 -0.869 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.296 -1.315 -2.941 1.00 0.00 H new ATOM 630 N GLN A 46 -4.037 -2.797 0.526 1.00 0.00 N ATOM 631 CA GLN A 46 -2.977 -3.630 1.069 1.00 0.00 C ATOM 632 C GLN A 46 -3.513 -4.993 1.512 1.00 0.00 C ATOM 633 O GLN A 46 -2.883 -6.020 1.268 1.00 0.00 O ATOM 634 CB GLN A 46 -2.239 -2.904 2.206 1.00 0.00 C ATOM 635 CG GLN A 46 -3.128 -2.384 3.324 1.00 0.00 C ATOM 636 CD GLN A 46 -3.058 -3.220 4.589 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.828 -4.158 4.772 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.139 -2.879 5.484 1.00 0.00 N ATOM 0 H GLN A 46 -4.300 -2.007 1.115 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.252 -3.817 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.504 -3.586 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.687 -2.065 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.842 -1.359 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.160 -2.354 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.515 -2.094 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.057 -3.402 6.356 1.00 0.00 H new ATOM 647 N GLN A 47 -4.696 -5.009 2.114 1.00 0.00 N ATOM 648 CA GLN A 47 -5.276 -6.248 2.623 1.00 0.00 C ATOM 649 C GLN A 47 -5.832 -7.095 1.480 1.00 0.00 C ATOM 650 O GLN A 47 -5.774 -8.326 1.519 1.00 0.00 O ATOM 651 CB GLN A 47 -6.374 -5.931 3.639 1.00 0.00 C ATOM 652 CG GLN A 47 -6.850 -7.129 4.445 1.00 0.00 C ATOM 653 CD GLN A 47 -7.918 -6.750 5.453 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.111 -6.784 5.151 1.00 0.00 O ATOM 655 NE2 GLN A 47 -7.498 -6.377 6.653 1.00 0.00 N ATOM 0 H GLN A 47 -5.272 -4.181 2.262 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.493 -6.822 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.007 -5.169 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.226 -5.501 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.244 -7.887 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.003 -7.575 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.500 -6.363 6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.173 -6.104 7.367 1.00 0.00 H new ATOM 664 N ASP A 48 -6.355 -6.428 0.456 1.00 0.00 N ATOM 665 CA ASP A 48 -6.926 -7.109 -0.702 1.00 0.00 C ATOM 666 C ASP A 48 -5.867 -7.928 -1.418 1.00 0.00 C ATOM 667 O ASP A 48 -6.097 -9.083 -1.779 1.00 0.00 O ATOM 668 CB ASP A 48 -7.527 -6.088 -1.668 1.00 0.00 C ATOM 669 CG ASP A 48 -8.178 -6.724 -2.877 1.00 0.00 C ATOM 670 OD1 ASP A 48 -9.370 -7.089 -2.784 1.00 0.00 O ATOM 671 OD2 ASP A 48 -7.515 -6.836 -3.931 1.00 0.00 O ATOM 0 H ASP A 48 -6.395 -5.410 0.404 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.710 -7.780 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.267 -5.488 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.744 -5.407 -2.001 1.00 0.00 H new ATOM 676 N SER A 49 -4.705 -7.326 -1.602 1.00 0.00 N ATOM 677 CA SER A 49 -3.607 -7.988 -2.277 1.00 0.00 C ATOM 678 C SER A 49 -2.870 -8.937 -1.332 1.00 0.00 C ATOM 679 O SER A 49 -2.433 -10.017 -1.733 1.00 0.00 O ATOM 680 CB SER A 49 -2.647 -6.941 -2.846 1.00 0.00 C ATOM 681 OG SER A 49 -2.265 -6.004 -1.848 1.00 0.00 O ATOM 0 H SER A 49 -4.499 -6.377 -1.291 1.00 0.00 H new ATOM 0 HA SER A 49 -4.011 -8.585 -3.095 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.761 -7.434 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.123 -6.419 -3.676 1.00 0.00 H new ATOM 0 HG SER A 49 -2.942 -5.299 -1.785 1.00 0.00 H new ATOM 687 N GLY A 50 -2.747 -8.534 -0.072 1.00 0.00 N ATOM 688 CA GLY A 50 -2.010 -9.323 0.895 1.00 0.00 C ATOM 689 C GLY A 50 -0.701 -8.660 1.269 1.00 0.00 C ATOM 690 O GLY A 50 0.116 -9.220 2.004 1.00 0.00 O ATOM 0 H GLY A 50 -3.147 -7.671 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.617 -9.464 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.813 -10.313 0.484 1.00 0.00 H new ATOM 694 N CYS A 51 -0.501 -7.459 0.751 1.00 0.00 N ATOM 695 CA CYS A 51 0.696 -6.700 1.040 1.00 0.00 C ATOM 696 C CYS A 51 0.580 -6.025 2.397 1.00 0.00 C ATOM 697 O CYS A 51 -0.480 -5.536 2.780 1.00 0.00 O ATOM 698 CB CYS A 51 0.940 -5.657 -0.048 1.00 0.00 C ATOM 699 SG CYS A 51 2.507 -4.766 0.108 1.00 0.00 S ATOM 0 H CYS A 51 -1.157 -6.991 0.126 1.00 0.00 H new ATOM 0 HA CYS A 51 1.543 -7.386 1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.912 -6.150 -1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.123 -4.936 -0.033 1.00 0.00 H new ATOM 0 HG CYS A 51 2.538 -4.138 1.246 1.00 0.00 H new ATOM 705 N LYS A 52 1.678 -5.998 3.113 1.00 0.00 N ATOM 706 CA LYS A 52 1.725 -5.400 4.428 1.00 0.00 C ATOM 707 C LYS A 52 2.247 -3.979 4.323 1.00 0.00 C ATOM 708 O LYS A 52 3.398 -3.688 4.654 1.00 0.00 O ATOM 709 CB LYS A 52 2.603 -6.254 5.339 1.00 0.00 C ATOM 710 CG LYS A 52 2.007 -7.624 5.605 1.00 0.00 C ATOM 711 CD LYS A 52 3.085 -8.653 5.878 1.00 0.00 C ATOM 712 CE LYS A 52 3.743 -9.124 4.589 1.00 0.00 C ATOM 713 NZ LYS A 52 2.814 -9.932 3.749 1.00 0.00 N ATOM 0 H LYS A 52 2.566 -6.390 2.801 1.00 0.00 H new ATOM 0 HA LYS A 52 0.725 -5.359 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.586 -6.372 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.750 -5.735 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.331 -7.569 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.413 -7.937 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.840 -8.225 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.652 -9.506 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.086 -8.260 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.625 -9.718 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.361 -10.479 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.275 -10.583 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.157 -9.299 3.251 1.00 0.00 H new ATOM 727 N VAL A 53 1.387 -3.106 3.825 1.00 0.00 N ATOM 728 CA VAL A 53 1.719 -1.702 3.656 1.00 0.00 C ATOM 729 C VAL A 53 1.528 -0.982 4.978 1.00 0.00 C ATOM 730 O VAL A 53 0.396 -0.780 5.429 1.00 0.00 O ATOM 731 CB VAL A 53 0.840 -1.040 2.578 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.264 0.398 2.329 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.891 -1.838 1.289 1.00 0.00 C ATOM 0 H VAL A 53 0.442 -3.350 3.528 1.00 0.00 H new ATOM 0 HA VAL A 53 2.758 -1.632 3.333 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.187 -1.029 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.625 0.838 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.171 0.970 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.301 0.419 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.265 -1.357 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.919 -1.883 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.526 -2.849 1.472 1.00 0.00 H new ATOM 743 N GLN A 54 2.630 -0.616 5.602 1.00 0.00 N ATOM 744 CA GLN A 54 2.579 -0.014 6.916 1.00 0.00 C ATOM 745 C GLN A 54 2.812 1.485 6.831 1.00 0.00 C ATOM 746 O GLN A 54 3.911 1.942 6.508 1.00 0.00 O ATOM 747 CB GLN A 54 3.616 -0.658 7.836 1.00 0.00 C ATOM 748 CG GLN A 54 3.180 -0.706 9.289 1.00 0.00 C ATOM 749 CD GLN A 54 1.926 -1.542 9.486 1.00 0.00 C ATOM 750 OE1 GLN A 54 2.001 -2.752 9.697 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.766 -0.908 9.423 1.00 0.00 N ATOM 0 H GLN A 54 3.569 -0.725 5.220 1.00 0.00 H new ATOM 0 HA GLN A 54 1.586 -0.185 7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.818 -1.672 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.551 -0.103 7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.987 -1.117 9.895 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.998 0.308 9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.743 0.096 9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.105 -1.424 9.551 1.00 0.00 H new ATOM 760 N ILE A 55 1.762 2.241 7.109 1.00 0.00 N ATOM 761 CA ILE A 55 1.849 3.691 7.146 1.00 0.00 C ATOM 762 C ILE A 55 2.467 4.117 8.475 1.00 0.00 C ATOM 763 O ILE A 55 1.757 4.308 9.462 1.00 0.00 O ATOM 764 CB ILE A 55 0.448 4.346 7.008 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.319 3.772 5.810 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.571 5.852 6.870 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.324 4.058 4.472 1.00 0.00 C ATOM 0 H ILE A 55 0.834 1.871 7.314 1.00 0.00 H new ATOM 0 HA ILE A 55 2.465 4.019 6.309 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.112 4.118 7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.411 2.693 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.330 4.180 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.422 6.291 6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.064 6.259 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.159 6.089 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.279 3.619 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.391 5.136 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.324 3.626 4.449 1.00 0.00 H new ATOM 779 N SER A 56 3.787 4.232 8.509 1.00 0.00 N ATOM 780 CA SER A 56 4.487 4.556 9.742 1.00 0.00 C ATOM 781 C SER A 56 4.428 6.049 10.048 1.00 0.00 C ATOM 782 O SER A 56 4.948 6.876 9.290 1.00 0.00 O ATOM 783 CB SER A 56 5.946 4.096 9.671 1.00 0.00 C ATOM 784 OG SER A 56 6.026 2.694 9.487 1.00 0.00 O ATOM 0 H SER A 56 4.393 4.106 7.698 1.00 0.00 H new ATOM 0 HA SER A 56 3.983 4.025 10.550 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.452 4.604 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.465 4.377 10.588 1.00 0.00 H new ATOM 0 HG SER A 56 6.967 2.423 9.443 1.00 0.00 H new ATOM 790 N PRO A 57 3.777 6.406 11.168 1.00 0.00 N ATOM 791 CA PRO A 57 3.757 7.773 11.673 1.00 0.00 C ATOM 792 C PRO A 57 4.986 8.056 12.525 1.00 0.00 C ATOM 793 O PRO A 57 5.157 9.147 13.067 1.00 0.00 O ATOM 794 CB PRO A 57 2.493 7.793 12.523 1.00 0.00 C ATOM 795 CG PRO A 57 2.390 6.412 13.070 1.00 0.00 C ATOM 796 CD PRO A 57 2.991 5.497 12.032 1.00 0.00 C ATOM 0 HA PRO A 57 3.766 8.527 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.563 8.532 13.321 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.618 8.050 11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.923 6.329 14.017 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.351 6.148 13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.622 4.735 12.489 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.220 4.975 11.465 1.00 0.00 H new ATOM 804 N ASP A 58 5.846 7.052 12.620 1.00 0.00 N ATOM 805 CA ASP A 58 7.066 7.154 13.398 1.00 0.00 C ATOM 806 C ASP A 58 8.106 7.939 12.612 1.00 0.00 C ATOM 807 O ASP A 58 8.888 8.691 13.187 1.00 0.00 O ATOM 808 CB ASP A 58 7.597 5.759 13.730 1.00 0.00 C ATOM 809 CG ASP A 58 8.778 5.788 14.679 1.00 0.00 C ATOM 810 OD1 ASP A 58 9.923 5.965 14.213 1.00 0.00 O ATOM 811 OD2 ASP A 58 8.566 5.623 15.899 1.00 0.00 O ATOM 0 H ASP A 58 5.716 6.150 12.162 1.00 0.00 H new ATOM 0 HA ASP A 58 6.854 7.675 14.332 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.796 5.167 14.173 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.891 5.259 12.807 1.00 0.00 H new ATOM 816 N SER A 59 8.050 7.769 11.284 1.00 0.00 N ATOM 817 CA SER A 59 8.901 8.471 10.311 1.00 0.00 C ATOM 818 C SER A 59 10.397 8.304 10.593 1.00 0.00 C ATOM 819 O SER A 59 11.070 7.501 9.944 1.00 0.00 O ATOM 820 CB SER A 59 8.509 9.953 10.195 1.00 0.00 C ATOM 821 OG SER A 59 8.543 10.610 11.450 1.00 0.00 O ATOM 0 H SER A 59 7.395 7.123 10.844 1.00 0.00 H new ATOM 0 HA SER A 59 8.721 7.998 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.187 10.455 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.508 10.031 9.772 1.00 0.00 H new ATOM 0 HG SER A 59 8.289 11.549 11.334 1.00 0.00 H new ATOM 827 N GLY A 60 10.915 9.058 11.549 1.00 0.00 N ATOM 828 CA GLY A 60 12.305 8.940 11.914 1.00 0.00 C ATOM 829 C GLY A 60 13.112 10.134 11.463 1.00 0.00 C ATOM 830 O GLY A 60 13.018 11.215 12.046 1.00 0.00 O ATOM 0 H GLY A 60 10.391 9.753 12.080 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.388 8.834 12.996 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.720 8.034 11.472 1.00 0.00 H new ATOM 834 N GLY A 61 13.894 9.944 10.411 1.00 0.00 N ATOM 835 CA GLY A 61 14.674 11.035 9.862 1.00 0.00 C ATOM 836 C GLY A 61 13.882 11.831 8.847 1.00 0.00 C ATOM 837 O GLY A 61 14.395 12.760 8.228 1.00 0.00 O ATOM 0 H GLY A 61 14.003 9.053 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.998 11.693 10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.574 10.639 9.392 1.00 0.00 H new ATOM 841 N LEU A 62 12.626 11.462 8.681 1.00 0.00 N ATOM 842 CA LEU A 62 11.749 12.125 7.736 1.00 0.00 C ATOM 843 C LEU A 62 10.686 12.925 8.477 1.00 0.00 C ATOM 844 O LEU A 62 10.191 12.489 9.512 1.00 0.00 O ATOM 845 CB LEU A 62 11.076 11.097 6.813 1.00 0.00 C ATOM 846 CG LEU A 62 11.971 10.448 5.749 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.831 11.491 5.051 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.833 9.345 6.346 1.00 0.00 C ATOM 0 H LEU A 62 12.187 10.698 9.195 1.00 0.00 H new ATOM 0 HA LEU A 62 12.348 12.803 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.653 10.306 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.243 11.585 6.307 1.00 0.00 H new ATOM 0 HG LEU A 62 11.319 9.992 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.456 11.005 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.189 12.227 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.465 11.990 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.455 8.906 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.470 9.763 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.192 8.575 6.775 1.00 0.00 H new ATOM 860 N PRO A 63 10.334 14.116 7.965 1.00 0.00 N ATOM 861 CA PRO A 63 9.257 14.935 8.521 1.00 0.00 C ATOM 862 C PRO A 63 7.926 14.572 7.883 1.00 0.00 C ATOM 863 O PRO A 63 6.883 15.159 8.181 1.00 0.00 O ATOM 864 CB PRO A 63 9.680 16.331 8.094 1.00 0.00 C ATOM 865 CG PRO A 63 10.248 16.111 6.735 1.00 0.00 C ATOM 866 CD PRO A 63 10.961 14.779 6.800 1.00 0.00 C ATOM 0 HA PRO A 63 9.119 14.816 9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.835 17.019 8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.418 16.755 8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.462 16.098 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.937 16.911 6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.821 14.203 5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.035 14.904 6.938 1.00 0.00 H new ATOM 874 N GLU A 64 8.000 13.606 6.988 1.00 0.00 N ATOM 875 CA GLU A 64 6.869 13.168 6.203 1.00 0.00 C ATOM 876 C GLU A 64 6.500 11.745 6.592 1.00 0.00 C ATOM 877 O GLU A 64 7.025 11.210 7.569 1.00 0.00 O ATOM 878 CB GLU A 64 7.227 13.268 4.716 1.00 0.00 C ATOM 879 CG GLU A 64 8.583 12.663 4.379 1.00 0.00 C ATOM 880 CD GLU A 64 9.155 13.193 3.081 1.00 0.00 C ATOM 881 OE1 GLU A 64 9.650 14.345 3.072 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.138 12.466 2.072 1.00 0.00 O ATOM 0 H GLU A 64 8.861 13.098 6.785 1.00 0.00 H new ATOM 0 HA GLU A 64 6.004 13.803 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.457 12.766 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.221 14.316 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.281 12.871 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.486 11.579 4.313 1.00 0.00 H new ATOM 889 N ARG A 65 5.617 11.133 5.831 1.00 0.00 N ATOM 890 CA ARG A 65 5.126 9.809 6.163 1.00 0.00 C ATOM 891 C ARG A 65 6.067 8.747 5.616 1.00 0.00 C ATOM 892 O ARG A 65 6.487 8.820 4.462 1.00 0.00 O ATOM 893 CB ARG A 65 3.729 9.621 5.578 1.00 0.00 C ATOM 894 CG ARG A 65 2.948 8.477 6.194 1.00 0.00 C ATOM 895 CD ARG A 65 2.701 8.722 7.672 1.00 0.00 C ATOM 896 NE ARG A 65 1.943 9.953 7.922 1.00 0.00 N ATOM 897 CZ ARG A 65 1.150 10.137 8.978 1.00 0.00 C ATOM 898 NH1 ARG A 65 0.910 9.138 9.814 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.573 11.316 9.181 1.00 0.00 N ATOM 0 H ARG A 65 5.224 11.530 4.978 1.00 0.00 H new ATOM 0 HA ARG A 65 5.079 9.707 7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.165 10.544 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.816 9.451 4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.996 8.362 5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.497 7.545 6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.159 7.875 8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.657 8.777 8.192 1.00 0.00 H new ATOM 0 HE ARG A 65 2.028 10.714 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.332 8.224 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.303 9.283 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.736 12.083 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.033 11.455 9.989 1.00 0.00 H new ATOM 913 N SER A 66 6.402 7.764 6.436 1.00 0.00 N ATOM 914 CA SER A 66 7.276 6.696 5.994 1.00 0.00 C ATOM 915 C SER A 66 6.477 5.406 5.828 1.00 0.00 C ATOM 916 O SER A 66 6.157 4.720 6.799 1.00 0.00 O ATOM 917 CB SER A 66 8.437 6.518 6.978 1.00 0.00 C ATOM 918 OG SER A 66 7.966 6.310 8.301 1.00 0.00 O ATOM 0 H SER A 66 6.084 7.686 7.402 1.00 0.00 H new ATOM 0 HA SER A 66 7.702 6.955 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.050 5.671 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.077 7.400 6.952 1.00 0.00 H new ATOM 0 HG SER A 66 8.671 5.890 8.837 1.00 0.00 H new ATOM 924 N VAL A 67 6.119 5.104 4.596 1.00 0.00 N ATOM 925 CA VAL A 67 5.292 3.951 4.306 1.00 0.00 C ATOM 926 C VAL A 67 6.138 2.802 3.795 1.00 0.00 C ATOM 927 O VAL A 67 6.664 2.858 2.688 1.00 0.00 O ATOM 928 CB VAL A 67 4.216 4.291 3.261 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.344 3.083 2.974 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.374 5.467 3.727 1.00 0.00 C ATOM 0 H VAL A 67 6.390 5.645 3.775 1.00 0.00 H new ATOM 0 HA VAL A 67 4.803 3.656 5.235 1.00 0.00 H new ATOM 0 HB VAL A 67 4.715 4.574 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.590 3.347 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.962 2.271 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.853 2.762 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.618 5.694 2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.886 5.215 4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.014 6.338 3.872 1.00 0.00 H new ATOM 940 N SER A 68 6.268 1.765 4.596 1.00 0.00 N ATOM 941 CA SER A 68 7.048 0.617 4.193 1.00 0.00 C ATOM 942 C SER A 68 6.208 -0.352 3.380 1.00 0.00 C ATOM 943 O SER A 68 5.097 -0.726 3.771 1.00 0.00 O ATOM 944 CB SER A 68 7.627 -0.100 5.397 1.00 0.00 C ATOM 945 OG SER A 68 8.457 0.762 6.159 1.00 0.00 O ATOM 0 H SER A 68 5.847 1.694 5.522 1.00 0.00 H new ATOM 0 HA SER A 68 7.867 0.982 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.818 -0.476 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.203 -0.964 5.066 1.00 0.00 H new ATOM 0 HG SER A 68 8.583 1.606 5.676 1.00 0.00 H new ATOM 951 N LEU A 69 6.748 -0.741 2.244 1.00 0.00 N ATOM 952 CA LEU A 69 6.079 -1.643 1.336 1.00 0.00 C ATOM 953 C LEU A 69 6.692 -3.042 1.385 1.00 0.00 C ATOM 954 O LEU A 69 7.838 -3.239 0.976 1.00 0.00 O ATOM 955 CB LEU A 69 6.195 -1.088 -0.077 1.00 0.00 C ATOM 956 CG LEU A 69 5.177 -0.010 -0.476 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.774 -0.592 -0.523 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.219 1.183 0.467 1.00 0.00 C ATOM 0 H LEU A 69 7.668 -0.438 1.925 1.00 0.00 H new ATOM 0 HA LEU A 69 5.033 -1.725 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.196 -0.674 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.105 -1.918 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 69 5.450 0.343 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.066 0.187 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.739 -1.399 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.509 -0.982 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.484 1.923 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.989 0.854 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.214 1.628 0.447 1.00 0.00 H new ATOM 970 N THR A 70 5.940 -4.002 1.909 1.00 0.00 N ATOM 971 CA THR A 70 6.355 -5.401 1.894 1.00 0.00 C ATOM 972 C THR A 70 5.125 -6.300 1.852 1.00 0.00 C ATOM 973 O THR A 70 4.241 -6.158 2.682 1.00 0.00 O ATOM 974 CB THR A 70 7.181 -5.758 3.141 1.00 0.00 C ATOM 975 OG1 THR A 70 7.914 -4.614 3.594 1.00 0.00 O ATOM 976 CG2 THR A 70 8.145 -6.879 2.819 1.00 0.00 C ATOM 0 H THR A 70 5.036 -3.837 2.352 1.00 0.00 H new ATOM 0 HA THR A 70 6.973 -5.553 1.009 1.00 0.00 H new ATOM 0 HB THR A 70 6.500 -6.081 3.928 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.435 -4.853 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.726 -7.126 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.587 -7.757 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.818 -6.563 2.022 1.00 0.00 H new ATOM 984 N GLY A 71 5.058 -7.229 0.908 1.00 0.00 N ATOM 985 CA GLY A 71 3.861 -8.041 0.783 1.00 0.00 C ATOM 986 C GLY A 71 4.106 -9.384 0.131 1.00 0.00 C ATOM 987 O GLY A 71 4.371 -10.368 0.812 1.00 0.00 O ATOM 0 H GLY A 71 5.797 -7.434 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.435 -8.200 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.120 -7.494 0.201 1.00 0.00 H new ATOM 991 N ALA A 72 3.988 -9.419 -1.184 1.00 0.00 N ATOM 992 CA ALA A 72 4.190 -10.631 -1.971 1.00 0.00 C ATOM 993 C ALA A 72 4.444 -10.221 -3.414 1.00 0.00 C ATOM 994 O ALA A 72 4.197 -9.070 -3.748 1.00 0.00 O ATOM 995 CB ALA A 72 2.976 -11.546 -1.864 1.00 0.00 C ATOM 0 H ALA A 72 3.747 -8.602 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 72 5.047 -11.188 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.144 -12.445 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.820 -11.823 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.094 -11.025 -2.237 1.00 0.00 H new ATOM 1001 N PRO A 73 4.940 -11.123 -4.285 1.00 0.00 N ATOM 1002 CA PRO A 73 5.246 -10.786 -5.685 1.00 0.00 C ATOM 1003 C PRO A 73 4.142 -9.966 -6.357 1.00 0.00 C ATOM 1004 O PRO A 73 4.397 -8.887 -6.895 1.00 0.00 O ATOM 1005 CB PRO A 73 5.385 -12.154 -6.346 1.00 0.00 C ATOM 1006 CG PRO A 73 5.883 -13.040 -5.259 1.00 0.00 C ATOM 1007 CD PRO A 73 5.254 -12.535 -3.986 1.00 0.00 C ATOM 0 HA PRO A 73 6.135 -10.160 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.431 -12.505 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.082 -12.122 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.607 -14.078 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.971 -13.006 -5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.357 -13.099 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.936 -12.623 -3.140 1.00 0.00 H new ATOM 1015 N GLU A 74 2.920 -10.466 -6.300 1.00 0.00 N ATOM 1016 CA GLU A 74 1.778 -9.766 -6.874 1.00 0.00 C ATOM 1017 C GLU A 74 1.264 -8.688 -5.921 1.00 0.00 C ATOM 1018 O GLU A 74 0.918 -7.580 -6.338 1.00 0.00 O ATOM 1019 CB GLU A 74 0.665 -10.769 -7.181 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.636 -10.142 -7.650 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.723 -11.175 -7.851 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -2.415 -11.520 -6.869 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -1.870 -11.673 -8.983 1.00 0.00 O ATOM 0 H GLU A 74 2.690 -11.357 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 74 2.095 -9.280 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.017 -11.460 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.467 -11.359 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.967 -9.405 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.465 -9.609 -8.585 1.00 0.00 H new ATOM 1030 N SER A 75 1.243 -9.017 -4.637 1.00 0.00 N ATOM 1031 CA SER A 75 0.640 -8.159 -3.631 1.00 0.00 C ATOM 1032 C SER A 75 1.398 -6.843 -3.486 1.00 0.00 C ATOM 1033 O SER A 75 0.793 -5.772 -3.426 1.00 0.00 O ATOM 1034 CB SER A 75 0.608 -8.892 -2.296 1.00 0.00 C ATOM 1035 OG SER A 75 0.126 -10.213 -2.466 1.00 0.00 O ATOM 0 H SER A 75 1.641 -9.880 -4.267 1.00 0.00 H new ATOM 0 HA SER A 75 -0.375 -7.921 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.608 -8.917 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.029 -8.354 -1.594 1.00 0.00 H new ATOM 0 HG SER A 75 -0.829 -10.243 -2.249 1.00 0.00 H new ATOM 1041 N VAL A 76 2.721 -6.925 -3.455 1.00 0.00 N ATOM 1042 CA VAL A 76 3.544 -5.750 -3.232 1.00 0.00 C ATOM 1043 C VAL A 76 3.514 -4.851 -4.461 1.00 0.00 C ATOM 1044 O VAL A 76 3.589 -3.635 -4.345 1.00 0.00 O ATOM 1045 CB VAL A 76 5.002 -6.125 -2.855 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.859 -6.396 -4.084 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.625 -5.048 -1.982 1.00 0.00 C ATOM 0 H VAL A 76 3.244 -7.792 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 76 3.127 -5.206 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 76 4.962 -7.052 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.871 -6.654 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.431 -7.223 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.889 -5.504 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.647 -5.331 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.633 -4.101 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.042 -4.939 -1.068 1.00 0.00 H new ATOM 1057 N GLN A 77 3.354 -5.454 -5.635 1.00 0.00 N ATOM 1058 CA GLN A 77 3.279 -4.693 -6.871 1.00 0.00 C ATOM 1059 C GLN A 77 1.957 -3.934 -6.932 1.00 0.00 C ATOM 1060 O GLN A 77 1.925 -2.764 -7.293 1.00 0.00 O ATOM 1061 CB GLN A 77 3.427 -5.613 -8.084 1.00 0.00 C ATOM 1062 CG GLN A 77 3.636 -4.862 -9.390 1.00 0.00 C ATOM 1063 CD GLN A 77 3.886 -5.783 -10.567 1.00 0.00 C ATOM 1064 OE1 GLN A 77 5.024 -6.156 -10.846 1.00 0.00 O ATOM 1065 NE2 GLN A 77 2.828 -6.144 -11.276 1.00 0.00 N ATOM 0 H GLN A 77 3.274 -6.464 -5.753 1.00 0.00 H new ATOM 0 HA GLN A 77 4.100 -3.976 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.270 -6.284 -7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.536 -6.235 -8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.758 -4.249 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.481 -4.182 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.900 -5.813 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.941 -6.753 -12.086 1.00 0.00 H new ATOM 1074 N LYS A 78 0.875 -4.610 -6.562 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.445 -3.982 -6.491 1.00 0.00 C ATOM 1076 C LYS A 78 -0.408 -2.786 -5.536 1.00 0.00 C ATOM 1077 O LYS A 78 -0.795 -1.665 -5.892 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.469 -5.009 -6.000 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.915 -4.524 -5.984 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.679 -4.986 -7.217 1.00 0.00 C ATOM 1081 CE LYS A 78 -3.446 -4.082 -8.415 1.00 0.00 C ATOM 1082 NZ LYS A 78 -4.166 -2.787 -8.284 1.00 0.00 N ATOM 0 H LYS A 78 0.884 -5.597 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.730 -3.629 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.406 -5.894 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.195 -5.319 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.413 -4.894 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.933 -3.435 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.377 -6.003 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.745 -5.017 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.378 -3.894 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.775 -4.590 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.107 -2.265 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.164 -2.966 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.731 -2.223 -7.526 1.00 0.00 H new ATOM 1096 N ALA A 79 0.084 -3.041 -4.330 1.00 0.00 N ATOM 1097 CA ALA A 79 0.188 -2.018 -3.300 1.00 0.00 C ATOM 1098 C ALA A 79 1.050 -0.852 -3.764 1.00 0.00 C ATOM 1099 O ALA A 79 0.645 0.308 -3.677 1.00 0.00 O ATOM 1100 CB ALA A 79 0.765 -2.621 -2.035 1.00 0.00 C ATOM 0 H ALA A 79 0.421 -3.959 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.812 -1.635 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.841 -1.851 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.114 -3.421 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.756 -3.025 -2.243 1.00 0.00 H new ATOM 1106 N LYS A 80 2.233 -1.166 -4.274 1.00 0.00 N ATOM 1107 CA LYS A 80 3.166 -0.141 -4.708 1.00 0.00 C ATOM 1108 C LYS A 80 2.671 0.575 -5.955 1.00 0.00 C ATOM 1109 O LYS A 80 3.122 1.671 -6.243 1.00 0.00 O ATOM 1110 CB LYS A 80 4.567 -0.710 -4.929 1.00 0.00 C ATOM 1111 CG LYS A 80 5.181 -1.272 -3.658 1.00 0.00 C ATOM 1112 CD LYS A 80 6.693 -1.370 -3.746 1.00 0.00 C ATOM 1113 CE LYS A 80 7.148 -2.256 -4.890 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.629 -2.228 -5.036 1.00 0.00 N ATOM 0 H LYS A 80 2.567 -2.122 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 80 3.228 0.592 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.520 -1.496 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.214 0.073 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.908 -0.639 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.765 -2.260 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.113 -0.372 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.084 -1.763 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.816 -3.279 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.682 -1.924 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.886 -2.464 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.983 -1.278 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.055 -2.923 -4.390 1.00 0.00 H new ATOM 1128 N MET A 81 1.766 -0.043 -6.708 1.00 0.00 N ATOM 1129 CA MET A 81 1.123 0.651 -7.820 1.00 0.00 C ATOM 1130 C MET A 81 0.319 1.836 -7.303 1.00 0.00 C ATOM 1131 O MET A 81 0.357 2.917 -7.883 1.00 0.00 O ATOM 1132 CB MET A 81 0.218 -0.284 -8.626 1.00 0.00 C ATOM 1133 CG MET A 81 0.965 -1.124 -9.649 1.00 0.00 C ATOM 1134 SD MET A 81 1.809 -0.117 -10.884 1.00 0.00 S ATOM 1135 CE MET A 81 2.570 -1.393 -11.881 1.00 0.00 C ATOM 0 H MET A 81 1.464 -1.008 -6.572 1.00 0.00 H new ATOM 0 HA MET A 81 1.909 1.008 -8.485 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.309 -0.947 -7.939 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.539 0.310 -9.139 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.694 -1.752 -9.137 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.263 -1.793 -10.148 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.133 -0.933 -12.693 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.244 -1.985 -11.262 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.797 -2.040 -12.296 1.00 0.00 H new ATOM 1145 N MET A 82 -0.392 1.633 -6.197 1.00 0.00 N ATOM 1146 CA MET A 82 -1.132 2.724 -5.559 1.00 0.00 C ATOM 1147 C MET A 82 -0.181 3.769 -4.986 1.00 0.00 C ATOM 1148 O MET A 82 -0.401 4.972 -5.128 1.00 0.00 O ATOM 1149 CB MET A 82 -2.047 2.198 -4.452 1.00 0.00 C ATOM 1150 CG MET A 82 -3.451 1.856 -4.926 1.00 0.00 C ATOM 1151 SD MET A 82 -4.328 3.292 -5.570 1.00 0.00 S ATOM 1152 CE MET A 82 -5.890 2.547 -6.029 1.00 0.00 C ATOM 0 H MET A 82 -0.473 0.732 -5.725 1.00 0.00 H new ATOM 0 HA MET A 82 -1.747 3.191 -6.328 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.595 1.309 -4.012 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.113 2.946 -3.662 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.394 1.091 -5.701 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.017 1.429 -4.098 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.548 3.309 -6.446 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.718 1.769 -6.773 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.357 2.108 -5.147 1.00 0.00 H new ATOM 1162 N LEU A 83 0.878 3.302 -4.340 1.00 0.00 N ATOM 1163 CA LEU A 83 1.863 4.195 -3.737 1.00 0.00 C ATOM 1164 C LEU A 83 2.575 5.017 -4.800 1.00 0.00 C ATOM 1165 O LEU A 83 2.606 6.235 -4.722 1.00 0.00 O ATOM 1166 CB LEU A 83 2.889 3.408 -2.909 1.00 0.00 C ATOM 1167 CG LEU A 83 2.533 3.190 -1.432 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.345 4.525 -0.727 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.288 2.326 -1.287 1.00 0.00 C ATOM 0 H LEU A 83 1.079 2.309 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 83 1.327 4.872 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.033 2.434 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.845 3.930 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 83 3.362 2.662 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.093 4.352 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.268 5.101 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.539 5.080 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.061 2.189 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.447 2.815 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.464 1.354 -1.749 1.00 0.00 H new ATOM 1181 N ASP A 84 3.126 4.344 -5.796 1.00 0.00 N ATOM 1182 CA ASP A 84 3.825 5.006 -6.894 1.00 0.00 C ATOM 1183 C ASP A 84 2.909 6.011 -7.578 1.00 0.00 C ATOM 1184 O ASP A 84 3.350 7.065 -8.033 1.00 0.00 O ATOM 1185 CB ASP A 84 4.321 3.966 -7.902 1.00 0.00 C ATOM 1186 CG ASP A 84 4.876 4.579 -9.171 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.039 5.032 -9.164 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.152 4.590 -10.192 1.00 0.00 O ATOM 0 H ASP A 84 3.104 3.327 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 84 4.684 5.542 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.093 3.356 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.499 3.298 -8.159 1.00 0.00 H new ATOM 1193 N ASP A 85 1.627 5.685 -7.622 1.00 0.00 N ATOM 1194 CA ASP A 85 0.633 6.553 -8.235 1.00 0.00 C ATOM 1195 C ASP A 85 0.525 7.883 -7.484 1.00 0.00 C ATOM 1196 O ASP A 85 0.811 8.951 -8.037 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.726 5.844 -8.250 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.785 6.586 -9.042 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.056 7.768 -8.742 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.361 5.982 -9.971 1.00 0.00 O ATOM 0 H ASP A 85 1.248 4.819 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 85 0.944 6.769 -9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.602 4.846 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.072 5.717 -7.224 1.00 0.00 H new ATOM 1205 N ILE A 86 0.156 7.809 -6.211 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.110 9.008 -5.419 1.00 0.00 C ATOM 1207 C ILE A 86 1.177 9.710 -4.999 1.00 0.00 C ATOM 1208 O ILE A 86 1.252 10.942 -4.987 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.985 8.693 -4.176 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.444 8.511 -4.595 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.871 9.783 -3.119 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.737 7.178 -5.247 1.00 0.00 C ATOM 0 H ILE A 86 0.034 6.933 -5.703 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.668 9.687 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.619 7.766 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.080 8.621 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.715 9.309 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.497 9.528 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.166 9.869 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.201 10.733 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.793 7.128 -5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.130 7.071 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.500 6.373 -4.551 1.00 0.00 H new ATOM 1224 N VAL A 87 2.199 8.940 -4.686 1.00 0.00 N ATOM 1225 CA VAL A 87 3.459 9.513 -4.261 1.00 0.00 C ATOM 1226 C VAL A 87 4.111 10.289 -5.400 1.00 0.00 C ATOM 1227 O VAL A 87 4.759 11.300 -5.171 1.00 0.00 O ATOM 1228 CB VAL A 87 4.418 8.433 -3.722 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.803 9.007 -3.453 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.855 7.820 -2.452 1.00 0.00 C ATOM 0 H VAL A 87 2.182 7.921 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 87 3.247 10.206 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 87 4.514 7.659 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.455 8.220 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.217 9.407 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.729 9.805 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.541 7.059 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.731 8.596 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.888 7.364 -2.666 1.00 0.00 H new ATOM 1240 N SER A 88 3.908 9.842 -6.632 1.00 0.00 N ATOM 1241 CA SER A 88 4.468 10.540 -7.779 1.00 0.00 C ATOM 1242 C SER A 88 3.670 11.807 -8.091 1.00 0.00 C ATOM 1243 O SER A 88 4.240 12.830 -8.474 1.00 0.00 O ATOM 1244 CB SER A 88 4.495 9.625 -9.003 1.00 0.00 C ATOM 1245 OG SER A 88 5.191 10.224 -10.082 1.00 0.00 O ATOM 0 H SER A 88 3.366 9.009 -6.861 1.00 0.00 H new ATOM 0 HA SER A 88 5.490 10.827 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.970 8.680 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.475 9.395 -9.309 1.00 0.00 H new ATOM 0 HG SER A 88 5.192 9.614 -10.849 1.00 0.00 H new ATOM 1251 N ARG A 89 2.348 11.743 -7.914 1.00 0.00 N ATOM 1252 CA ARG A 89 1.487 12.885 -8.216 1.00 0.00 C ATOM 1253 C ARG A 89 1.607 13.965 -7.141 1.00 0.00 C ATOM 1254 O ARG A 89 1.150 15.093 -7.328 1.00 0.00 O ATOM 1255 CB ARG A 89 0.021 12.451 -8.388 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.617 11.859 -7.141 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.076 11.501 -7.372 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.907 12.679 -7.609 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.240 12.658 -7.643 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -4.900 11.510 -7.536 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.908 13.791 -7.812 1.00 0.00 N ATOM 0 H ARG A 89 1.856 10.920 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 89 1.825 13.308 -9.162 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.565 13.314 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.034 11.717 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.067 10.968 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.543 12.573 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.152 10.828 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.456 10.960 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.439 13.573 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.387 10.635 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.920 11.503 -7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.402 14.671 -7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.928 13.783 -7.839 1.00 0.00 H new ATOM 1275 N GLY A 90 2.223 13.613 -6.016 1.00 0.00 N ATOM 1276 CA GLY A 90 2.464 14.583 -4.962 1.00 0.00 C ATOM 1277 C GLY A 90 3.934 14.945 -4.842 1.00 0.00 C ATOM 1278 O GLY A 90 4.319 16.098 -5.043 1.00 0.00 O ATOM 0 H GLY A 90 2.560 12.671 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.884 15.485 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.112 14.180 -4.012 1.00 0.00 H new ATOM 1282 N ARG A 91 4.754 13.953 -4.524 1.00 0.00 N ATOM 1283 CA ARG A 91 6.195 14.136 -4.425 1.00 0.00 C ATOM 1284 C ARG A 91 6.785 14.208 -5.831 1.00 0.00 C ATOM 1285 O ARG A 91 7.105 13.186 -6.442 1.00 0.00 O ATOM 1286 CB ARG A 91 6.813 12.982 -3.609 1.00 0.00 C ATOM 1287 CG ARG A 91 8.298 13.139 -3.308 1.00 0.00 C ATOM 1288 CD ARG A 91 9.168 12.462 -4.358 1.00 0.00 C ATOM 1289 NE ARG A 91 9.105 11.000 -4.274 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.802 10.200 -5.304 1.00 0.00 C ATOM 1291 NH1 ARG A 91 8.412 10.719 -6.465 1.00 0.00 N ATOM 1292 NH2 ARG A 91 8.863 8.881 -5.162 1.00 0.00 N ATOM 0 H ARG A 91 4.441 13.002 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 91 6.423 15.067 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.273 12.892 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.663 12.049 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.548 14.199 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.516 12.714 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.850 12.781 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.201 12.787 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 91 9.305 10.564 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.343 11.731 -6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.182 10.105 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.141 8.477 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.632 8.272 -5.947 1.00 0.00 H new