USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 719 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 38 HIS : no HD1:sc= -2.49! C(o=-3.2!,f=-4.2!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.68 USER MOD Set 2.1: A 24 TYR OH : rot -90:sc= 0.86 USER MOD Set 2.2: A 28 HIS : no HE2:sc= 0.552 K(o=1.4,f=-2.5) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.96 K(o=0.9,f=-0.2) USER MOD Set 3.2: A 66 MET CE :methyl -160:sc= -0.0576 (180deg=-0.475) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.778 K(o=0.32,f=-5!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ -161:sc= 1.1 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0087) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 1.78 (180deg=1.13) USER MOD Single : A 20 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 2.17 (180deg=2.03) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0969 (180deg=-0.546) USER MOD Single : A 35 GLN : amide:sc= -0.0495 K(o=-0.049,f=-0.57) USER MOD Single : A 37 LYS NZ :NH3+ 139:sc= -0.518 (180deg=-2.95!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 161:sc= -0.0555 (180deg=-0.417) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 69 ASN : amide:sc= -0.664 K(o=-0.66,f=-7.2!) USER MOD Single : A 72 ASN : amide:sc= -2.18 X(o=-2.2,f=-2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.531 K(o=-0.53,f=-2.5) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.13 K(o=-0.13,f=-9.2!) USER MOD Single : A 86 MET CE :methyl -154:sc= -0.245 (180deg=-1.11) USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= 1.74 (180deg=0.731) USER MOD ----------------------------------------------------------------- ATOM 58 N ASP A 7 -11.270 -46.353 22.348 1.00 0.00 N ATOM 59 CA ASP A 7 -11.991 -46.001 23.556 1.00 0.00 C ATOM 60 C ASP A 7 -11.076 -46.009 24.745 1.00 0.00 C ATOM 61 O ASP A 7 -10.742 -47.068 25.289 1.00 0.00 O ATOM 62 CB ASP A 7 -13.149 -46.951 23.827 1.00 0.00 C ATOM 63 CG ASP A 7 -14.248 -46.873 22.809 1.00 0.00 C ATOM 64 OD1 ASP A 7 -15.110 -45.979 22.925 1.00 0.00 O ATOM 65 OD2 ASP A 7 -14.262 -47.719 21.891 1.00 0.00 O ATOM 0 HA ASP A 7 -12.389 -44.999 23.398 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.769 -47.972 23.860 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.563 -46.733 24.812 1.00 0.00 H new ATOM 70 N ILE A 8 -10.663 -44.848 25.138 1.00 0.00 N ATOM 71 CA ILE A 8 -9.848 -44.705 26.296 1.00 0.00 C ATOM 72 C ILE A 8 -10.670 -44.059 27.377 1.00 0.00 C ATOM 73 O ILE A 8 -11.127 -42.928 27.230 1.00 0.00 O ATOM 74 CB ILE A 8 -8.584 -43.881 25.986 1.00 0.00 C ATOM 75 CG1 ILE A 8 -7.787 -44.594 24.888 1.00 0.00 C ATOM 76 CG2 ILE A 8 -7.738 -43.690 27.243 1.00 0.00 C ATOM 77 CD1 ILE A 8 -6.589 -43.835 24.397 1.00 0.00 C ATOM 0 H ILE A 8 -10.882 -43.972 24.663 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.509 -45.685 26.632 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.871 -42.889 25.637 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.458 -45.562 25.266 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.449 -44.789 24.044 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.851 -43.105 26.999 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.322 -43.165 27.999 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.436 -44.663 27.630 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.085 -44.413 23.622 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.908 -42.877 23.986 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.902 -43.663 25.226 1.00 0.00 H new ATOM 89 N LYS A 9 -10.886 -44.787 28.444 1.00 0.00 N ATOM 90 CA LYS A 9 -11.736 -44.316 29.503 1.00 0.00 C ATOM 91 C LYS A 9 -10.978 -43.436 30.433 1.00 0.00 C ATOM 92 O LYS A 9 -9.857 -43.744 30.833 1.00 0.00 O ATOM 93 CB LYS A 9 -12.373 -45.485 30.262 1.00 0.00 C ATOM 94 CG LYS A 9 -13.620 -46.074 29.587 1.00 0.00 C ATOM 95 CD LYS A 9 -13.383 -46.348 28.114 1.00 0.00 C ATOM 96 CE LYS A 9 -14.554 -47.064 27.468 1.00 0.00 C ATOM 97 NZ LYS A 9 -15.772 -46.213 27.421 1.00 0.00 N ATOM 0 H LYS A 9 -10.483 -45.711 28.600 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.539 -43.731 29.054 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.631 -46.274 30.379 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.641 -45.149 31.264 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.903 -47.000 30.089 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.455 -45.383 29.699 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.204 -45.406 27.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.482 -46.951 27.999 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.282 -47.363 26.456 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.771 -47.977 28.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.538 -46.729 26.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.068 -45.976 28.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.564 -45.338 26.899 1.00 0.00 H new ATOM 111 N GLU A 10 -11.581 -42.348 30.770 1.00 0.00 N ATOM 112 CA GLU A 10 -10.970 -41.403 31.663 1.00 0.00 C ATOM 113 C GLU A 10 -11.559 -41.521 33.042 1.00 0.00 C ATOM 114 O GLU A 10 -12.735 -41.217 33.261 1.00 0.00 O ATOM 115 CB GLU A 10 -11.097 -39.967 31.143 1.00 0.00 C ATOM 116 CG GLU A 10 -10.276 -39.693 29.893 1.00 0.00 C ATOM 117 CD GLU A 10 -10.367 -38.256 29.432 1.00 0.00 C ATOM 118 OE1 GLU A 10 -11.482 -37.762 29.225 1.00 0.00 O ATOM 119 OE2 GLU A 10 -9.303 -37.608 29.285 1.00 0.00 O ATOM 0 H GLU A 10 -12.509 -42.082 30.440 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.907 -41.640 31.715 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.146 -39.759 30.931 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.788 -39.277 31.928 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.233 -39.941 30.088 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.615 -40.349 29.091 1.00 0.00 H new ATOM 126 N ILE A 11 -10.751 -41.982 33.964 1.00 0.00 N ATOM 127 CA ILE A 11 -11.153 -42.103 35.332 1.00 0.00 C ATOM 128 C ILE A 11 -10.522 -40.979 36.137 1.00 0.00 C ATOM 129 O ILE A 11 -9.295 -40.887 36.260 1.00 0.00 O ATOM 130 CB ILE A 11 -10.801 -43.504 35.923 1.00 0.00 C ATOM 131 CG1 ILE A 11 -11.666 -44.586 35.251 1.00 0.00 C ATOM 132 CG2 ILE A 11 -11.003 -43.524 37.432 1.00 0.00 C ATOM 133 CD1 ILE A 11 -11.341 -46.002 35.686 1.00 0.00 C ATOM 0 H ILE A 11 -9.794 -42.283 33.780 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.238 -42.016 35.388 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.750 -43.712 35.722 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.715 -44.383 35.468 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.544 -44.513 34.170 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.751 -44.511 37.820 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.359 -42.777 37.895 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.044 -43.298 37.663 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.995 -46.702 35.166 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.303 -46.228 35.444 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.491 -46.096 36.762 1.00 0.00 H new ATOM 145 N LYS A 12 -11.368 -40.115 36.656 1.00 0.00 N ATOM 146 CA LYS A 12 -10.938 -38.927 37.369 1.00 0.00 C ATOM 147 C LYS A 12 -10.923 -39.140 38.870 1.00 0.00 C ATOM 148 O LYS A 12 -11.791 -39.811 39.422 1.00 0.00 O ATOM 149 CB LYS A 12 -11.873 -37.764 37.038 1.00 0.00 C ATOM 150 CG LYS A 12 -11.538 -36.475 37.769 1.00 0.00 C ATOM 151 CD LYS A 12 -12.552 -35.394 37.456 1.00 0.00 C ATOM 152 CE LYS A 12 -12.246 -34.117 38.206 1.00 0.00 C ATOM 153 NZ LYS A 12 -13.259 -33.067 37.945 1.00 0.00 N ATOM 0 H LYS A 12 -12.381 -40.216 36.596 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.920 -38.702 37.050 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.841 -37.580 35.964 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.896 -38.053 37.281 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.516 -36.657 38.843 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.542 -36.138 37.482 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.556 -35.196 36.384 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.551 -35.742 37.720 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.206 -34.325 39.275 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.261 -33.752 37.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.013 -32.208 38.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.280 -32.850 36.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.195 -33.405 38.246 1.00 0.00 H new ATOM 167 N LEU A 13 -9.922 -38.582 39.517 1.00 0.00 N ATOM 168 CA LEU A 13 -9.817 -38.609 40.960 1.00 0.00 C ATOM 169 C LEU A 13 -9.419 -37.232 41.476 1.00 0.00 C ATOM 170 O LEU A 13 -9.116 -36.327 40.688 1.00 0.00 O ATOM 171 CB LEU A 13 -8.827 -39.679 41.448 1.00 0.00 C ATOM 172 CG LEU A 13 -9.239 -41.136 41.199 1.00 0.00 C ATOM 173 CD1 LEU A 13 -8.738 -41.626 39.847 1.00 0.00 C ATOM 174 CD2 LEU A 13 -8.747 -42.036 42.322 1.00 0.00 C ATOM 0 H LEU A 13 -9.155 -38.095 39.054 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.795 -38.875 41.361 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.866 -39.505 40.963 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.673 -39.543 42.518 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.328 -41.179 41.184 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.045 -42.661 39.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.159 -41.006 39.056 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.650 -41.562 39.817 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.051 -43.064 42.124 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.660 -41.984 42.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.177 -41.706 43.268 1.00 0.00 H new ATOM 186 N SER A 14 -9.459 -37.059 42.775 1.00 0.00 N ATOM 187 CA SER A 14 -9.081 -35.807 43.393 1.00 0.00 C ATOM 188 C SER A 14 -8.146 -36.087 44.554 1.00 0.00 C ATOM 189 O SER A 14 -8.175 -37.173 45.112 1.00 0.00 O ATOM 190 CB SER A 14 -10.327 -35.062 43.876 1.00 0.00 C ATOM 191 OG SER A 14 -11.210 -34.803 42.794 1.00 0.00 O ATOM 0 H SER A 14 -9.754 -37.779 43.434 1.00 0.00 H new ATOM 0 HA SER A 14 -8.569 -35.179 42.664 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.839 -35.653 44.635 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.035 -34.123 44.346 1.00 0.00 H new ATOM 0 HG SER A 14 -12.001 -34.328 43.124 1.00 0.00 H new ATOM 197 N VAL A 15 -7.308 -35.127 44.896 1.00 0.00 N ATOM 198 CA VAL A 15 -6.384 -35.291 46.010 1.00 0.00 C ATOM 199 C VAL A 15 -7.173 -35.456 47.321 1.00 0.00 C ATOM 200 O VAL A 15 -6.763 -36.182 48.229 1.00 0.00 O ATOM 201 CB VAL A 15 -5.378 -34.115 46.089 1.00 0.00 C ATOM 202 CG1 VAL A 15 -4.432 -34.275 47.267 1.00 0.00 C ATOM 203 CG2 VAL A 15 -4.586 -34.027 44.796 1.00 0.00 C ATOM 0 H VAL A 15 -7.245 -34.226 44.422 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.796 -36.194 45.847 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.943 -33.194 46.234 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.739 -33.434 47.294 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.006 -34.303 48.193 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.871 -35.204 47.160 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.880 -33.198 44.857 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.040 -34.958 44.639 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.268 -33.862 43.962 1.00 0.00 H new ATOM 213 N LYS A 16 -8.314 -34.784 47.398 1.00 0.00 N ATOM 214 CA LYS A 16 -9.228 -34.946 48.512 1.00 0.00 C ATOM 215 C LYS A 16 -10.320 -35.930 48.113 1.00 0.00 C ATOM 216 O LYS A 16 -11.429 -35.534 47.750 1.00 0.00 O ATOM 217 CB LYS A 16 -9.874 -33.612 48.920 1.00 0.00 C ATOM 218 CG LYS A 16 -8.925 -32.589 49.511 1.00 0.00 C ATOM 219 CD LYS A 16 -9.672 -31.320 49.899 1.00 0.00 C ATOM 220 CE LYS A 16 -8.746 -30.292 50.535 1.00 0.00 C ATOM 221 NZ LYS A 16 -7.721 -29.799 49.581 1.00 0.00 N ATOM 0 H LYS A 16 -8.627 -34.116 46.693 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.662 -35.318 49.366 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.353 -33.176 48.043 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.662 -33.815 49.646 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.431 -33.008 50.388 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.144 -32.350 48.789 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.141 -30.889 49.014 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.473 -31.568 50.595 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.335 -29.451 50.900 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.252 -30.735 51.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.235 -28.975 49.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.029 -30.553 49.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.180 -29.523 48.690 1.00 0.00 H new ATOM 235 N ILE A 17 -9.983 -37.196 48.113 1.00 0.00 N ATOM 236 CA ILE A 17 -10.932 -38.232 47.741 1.00 0.00 C ATOM 237 C ILE A 17 -10.879 -39.396 48.731 1.00 0.00 C ATOM 238 O ILE A 17 -9.866 -39.605 49.406 1.00 0.00 O ATOM 239 CB ILE A 17 -10.672 -38.724 46.290 1.00 0.00 C ATOM 240 CG1 ILE A 17 -11.900 -39.423 45.709 1.00 0.00 C ATOM 241 CG2 ILE A 17 -9.470 -39.668 46.249 1.00 0.00 C ATOM 242 CD1 ILE A 17 -11.889 -39.465 44.203 1.00 0.00 C ATOM 0 H ILE A 17 -9.057 -37.541 48.366 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.934 -37.804 47.776 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.458 -37.846 45.680 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.950 -40.441 46.096 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.799 -38.908 46.047 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.304 -40.002 45.225 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.584 -39.145 46.608 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.664 -40.532 46.885 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.785 -39.973 43.847 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.868 -38.448 43.811 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.006 -40.004 43.860 1.00 0.00 H new ATOM 254 N ALA A 18 -11.981 -40.115 48.846 1.00 0.00 N ATOM 255 CA ALA A 18 -12.070 -41.243 49.753 1.00 0.00 C ATOM 256 C ALA A 18 -11.250 -42.422 49.247 1.00 0.00 C ATOM 257 O ALA A 18 -11.185 -42.676 48.048 1.00 0.00 O ATOM 258 CB ALA A 18 -13.521 -41.651 49.953 1.00 0.00 C ATOM 0 H ALA A 18 -12.834 -39.934 48.317 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.658 -40.935 50.714 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.570 -42.499 50.636 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.080 -40.814 50.372 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.955 -41.933 48.994 1.00 0.00 H new ATOM 264 N GLN A 19 -10.641 -43.144 50.172 1.00 0.00 N ATOM 265 CA GLN A 19 -9.832 -44.312 49.841 1.00 0.00 C ATOM 266 C GLN A 19 -10.680 -45.411 49.223 1.00 0.00 C ATOM 267 O GLN A 19 -10.200 -46.200 48.399 1.00 0.00 O ATOM 268 CB GLN A 19 -9.104 -44.828 51.080 1.00 0.00 C ATOM 269 CG GLN A 19 -7.946 -43.941 51.512 1.00 0.00 C ATOM 270 CD GLN A 19 -6.838 -43.894 50.470 1.00 0.00 C ATOM 271 OE1 GLN A 19 -6.144 -42.890 50.326 1.00 0.00 O ATOM 272 NE2 GLN A 19 -6.657 -44.987 49.745 1.00 0.00 N ATOM 0 H GLN A 19 -10.691 -42.941 51.170 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.089 -44.008 49.103 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.815 -44.911 51.902 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.729 -45.832 50.880 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.313 -42.931 51.695 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.541 -44.309 52.455 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.253 -45.802 49.893 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.922 -45.015 49.039 1.00 0.00 H new ATOM 281 N ASN A 20 -11.937 -45.457 49.622 1.00 0.00 N ATOM 282 CA ASN A 20 -12.880 -46.438 49.096 1.00 0.00 C ATOM 283 C ASN A 20 -13.073 -46.213 47.605 1.00 0.00 C ATOM 284 O ASN A 20 -13.160 -47.165 46.821 1.00 0.00 O ATOM 285 CB ASN A 20 -14.235 -46.333 49.822 1.00 0.00 C ATOM 286 CG ASN A 20 -14.147 -46.713 51.292 1.00 0.00 C ATOM 287 OD1 ASN A 20 -13.104 -46.550 51.929 1.00 0.00 O ATOM 288 ND2 ASN A 20 -15.237 -47.202 51.845 1.00 0.00 N ATOM 0 H ASN A 20 -12.335 -44.823 50.314 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.476 -47.436 49.263 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.609 -45.313 49.737 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.959 -46.981 49.327 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.237 -47.460 52.832 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.082 -47.323 51.287 1.00 0.00 H new ATOM 295 N ASP A 21 -13.120 -44.934 47.224 1.00 0.00 N ATOM 296 CA ASP A 21 -13.291 -44.534 45.831 1.00 0.00 C ATOM 297 C ASP A 21 -12.129 -45.029 44.970 1.00 0.00 C ATOM 298 O ASP A 21 -12.337 -45.563 43.878 1.00 0.00 O ATOM 299 CB ASP A 21 -13.412 -43.012 45.729 1.00 0.00 C ATOM 300 CG ASP A 21 -13.543 -42.542 44.301 1.00 0.00 C ATOM 301 OD1 ASP A 21 -14.686 -42.446 43.798 1.00 0.00 O ATOM 302 OD2 ASP A 21 -12.511 -42.268 43.670 1.00 0.00 O ATOM 0 H ASP A 21 -13.041 -44.151 47.873 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.208 -44.990 45.458 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.279 -42.680 46.299 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.536 -42.549 46.183 1.00 0.00 H new ATOM 307 N ILE A 22 -10.907 -44.891 45.495 1.00 0.00 N ATOM 308 CA ILE A 22 -9.699 -45.318 44.786 1.00 0.00 C ATOM 309 C ILE A 22 -9.722 -46.826 44.535 1.00 0.00 C ATOM 310 O ILE A 22 -9.424 -47.290 43.429 1.00 0.00 O ATOM 311 CB ILE A 22 -8.413 -44.952 45.585 1.00 0.00 C ATOM 312 CG1 ILE A 22 -8.381 -43.450 45.897 1.00 0.00 C ATOM 313 CG2 ILE A 22 -7.162 -45.364 44.819 1.00 0.00 C ATOM 314 CD1 ILE A 22 -7.210 -43.028 46.768 1.00 0.00 C ATOM 0 H ILE A 22 -10.729 -44.485 46.413 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.683 -44.791 43.832 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.432 -45.501 46.527 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.343 -42.895 44.960 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.310 -43.172 46.395 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.277 -45.098 45.397 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.176 -46.441 44.652 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.137 -44.848 43.859 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.256 -41.953 46.944 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.257 -43.555 47.721 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.275 -43.273 46.264 1.00 0.00 H new ATOM 326 N ASN A 23 -10.095 -47.580 45.559 1.00 0.00 N ATOM 327 CA ASN A 23 -10.165 -49.041 45.467 1.00 0.00 C ATOM 328 C ASN A 23 -11.179 -49.488 44.431 1.00 0.00 C ATOM 329 O ASN A 23 -10.929 -50.396 43.648 1.00 0.00 O ATOM 330 CB ASN A 23 -10.547 -49.636 46.816 1.00 0.00 C ATOM 331 CG ASN A 23 -9.364 -49.819 47.745 1.00 0.00 C ATOM 332 OD1 ASN A 23 -8.699 -50.859 47.730 1.00 0.00 O ATOM 333 ND2 ASN A 23 -9.092 -48.821 48.560 1.00 0.00 N ATOM 0 H ASN A 23 -10.356 -47.206 46.471 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.178 -49.394 45.166 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.281 -48.989 47.296 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.028 -50.601 46.657 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.308 -48.892 49.209 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.665 -47.977 48.542 1.00 0.00 H new ATOM 340 N TYR A 24 -12.313 -48.854 44.440 1.00 0.00 N ATOM 341 CA TYR A 24 -13.381 -49.162 43.521 1.00 0.00 C ATOM 342 C TYR A 24 -12.978 -48.861 42.067 1.00 0.00 C ATOM 343 O TYR A 24 -13.254 -49.651 41.153 1.00 0.00 O ATOM 344 CB TYR A 24 -14.628 -48.386 43.940 1.00 0.00 C ATOM 345 CG TYR A 24 -15.795 -48.489 43.000 1.00 0.00 C ATOM 346 CD1 TYR A 24 -16.603 -49.605 43.006 1.00 0.00 C ATOM 347 CD2 TYR A 24 -16.094 -47.465 42.118 1.00 0.00 C ATOM 348 CE1 TYR A 24 -17.683 -49.712 42.156 1.00 0.00 C ATOM 349 CE2 TYR A 24 -17.171 -47.554 41.261 1.00 0.00 C ATOM 350 CZ TYR A 24 -17.964 -48.679 41.282 1.00 0.00 C ATOM 351 OH TYR A 24 -19.038 -48.773 40.422 1.00 0.00 O ATOM 0 H TYR A 24 -12.531 -48.099 45.091 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.597 -50.230 43.560 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.942 -48.739 44.922 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.362 -47.335 44.049 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -16.386 -50.412 43.690 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.473 -46.581 42.101 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.304 -50.595 42.173 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.391 -46.747 40.578 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.749 -49.187 39.582 1.00 0.00 H new ATOM 361 N LYS A 25 -12.331 -47.720 41.861 1.00 0.00 N ATOM 362 CA LYS A 25 -11.907 -47.293 40.534 1.00 0.00 C ATOM 363 C LYS A 25 -10.853 -48.196 39.906 1.00 0.00 C ATOM 364 O LYS A 25 -10.942 -48.507 38.713 1.00 0.00 O ATOM 365 CB LYS A 25 -11.471 -45.845 40.556 1.00 0.00 C ATOM 366 CG LYS A 25 -12.643 -44.908 40.702 1.00 0.00 C ATOM 367 CD LYS A 25 -12.213 -43.470 40.819 1.00 0.00 C ATOM 368 CE LYS A 25 -13.419 -42.560 40.868 1.00 0.00 C ATOM 369 NZ LYS A 25 -13.049 -41.195 41.280 1.00 0.00 N ATOM 0 H LYS A 25 -12.087 -47.068 42.606 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.778 -47.384 39.885 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.775 -45.688 41.380 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.933 -45.614 39.637 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.303 -45.019 39.842 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.220 -45.186 41.584 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.612 -43.336 41.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.582 -43.203 39.971 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.893 -42.529 39.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.154 -42.965 41.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.887 -40.581 41.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.682 -41.214 42.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.317 -40.826 40.640 1.00 0.00 H new ATOM 383 N VAL A 26 -9.865 -48.631 40.681 1.00 0.00 N ATOM 384 CA VAL A 26 -8.852 -49.532 40.133 1.00 0.00 C ATOM 385 C VAL A 26 -9.474 -50.853 39.698 1.00 0.00 C ATOM 386 O VAL A 26 -9.043 -51.455 38.723 1.00 0.00 O ATOM 387 CB VAL A 26 -7.662 -49.790 41.093 1.00 0.00 C ATOM 388 CG1 VAL A 26 -6.784 -48.559 41.212 1.00 0.00 C ATOM 389 CG2 VAL A 26 -8.133 -50.249 42.459 1.00 0.00 C ATOM 0 H VAL A 26 -9.743 -48.385 41.663 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.442 -49.019 39.263 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.067 -50.595 40.663 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.957 -48.766 41.891 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.390 -48.297 40.230 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.373 -47.728 41.601 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.270 -50.419 43.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.770 -49.483 42.901 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.698 -51.176 42.357 1.00 0.00 H new ATOM 399 N LYS A 27 -10.507 -51.284 40.415 1.00 0.00 N ATOM 400 CA LYS A 27 -11.229 -52.497 40.061 1.00 0.00 C ATOM 401 C LYS A 27 -11.879 -52.349 38.692 1.00 0.00 C ATOM 402 O LYS A 27 -11.866 -53.276 37.887 1.00 0.00 O ATOM 403 CB LYS A 27 -12.281 -52.824 41.119 1.00 0.00 C ATOM 404 CG LYS A 27 -11.696 -53.306 42.427 1.00 0.00 C ATOM 405 CD LYS A 27 -12.776 -53.558 43.462 1.00 0.00 C ATOM 406 CE LYS A 27 -12.192 -54.170 44.721 1.00 0.00 C ATOM 407 NZ LYS A 27 -11.520 -55.467 44.437 1.00 0.00 N ATOM 0 H LYS A 27 -10.862 -50.809 41.245 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.517 -53.321 40.019 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.884 -51.936 41.306 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.952 -53.588 40.728 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.132 -54.223 42.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.993 -52.565 42.807 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.275 -52.621 43.707 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.533 -54.224 43.048 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.476 -53.478 45.165 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.984 -54.323 45.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.450 -56.021 45.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.074 -55.998 43.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.566 -55.289 44.063 1.00 0.00 H new ATOM 421 N HIS A 28 -12.450 -51.177 38.437 1.00 0.00 N ATOM 422 CA HIS A 28 -13.061 -50.890 37.142 1.00 0.00 C ATOM 423 C HIS A 28 -12.005 -50.821 36.058 1.00 0.00 C ATOM 424 O HIS A 28 -12.183 -51.361 34.972 1.00 0.00 O ATOM 425 CB HIS A 28 -13.832 -49.572 37.176 1.00 0.00 C ATOM 426 CG HIS A 28 -15.267 -49.720 37.537 1.00 0.00 C ATOM 427 ND1 HIS A 28 -16.288 -49.608 36.617 1.00 0.00 N ATOM 428 CD2 HIS A 28 -15.860 -49.970 38.721 1.00 0.00 C ATOM 429 CE1 HIS A 28 -17.445 -49.782 37.225 1.00 0.00 C ATOM 430 NE2 HIS A 28 -17.213 -50.003 38.499 1.00 0.00 N ATOM 0 H HIS A 28 -12.503 -50.411 39.108 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.756 -51.700 36.922 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.355 -48.902 37.892 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.761 -49.096 36.198 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -16.167 -49.420 35.622 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.362 -50.117 39.668 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.417 -49.749 36.756 1.00 0.00 H new ATOM 438 N ALA A 29 -10.892 -50.173 36.379 1.00 0.00 N ATOM 439 CA ALA A 29 -9.801 -49.998 35.436 1.00 0.00 C ATOM 440 C ALA A 29 -9.256 -51.338 34.975 1.00 0.00 C ATOM 441 O ALA A 29 -8.942 -51.515 33.800 1.00 0.00 O ATOM 442 CB ALA A 29 -8.691 -49.156 36.053 1.00 0.00 C ATOM 0 H ALA A 29 -10.723 -49.757 37.295 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.192 -49.474 34.564 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.882 -49.035 35.332 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.085 -48.176 36.323 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.311 -49.653 36.945 1.00 0.00 H new ATOM 448 N LEU A 30 -9.175 -52.289 35.898 1.00 0.00 N ATOM 449 CA LEU A 30 -8.670 -53.614 35.585 1.00 0.00 C ATOM 450 C LEU A 30 -9.551 -54.305 34.545 1.00 0.00 C ATOM 451 O LEU A 30 -9.046 -54.932 33.616 1.00 0.00 O ATOM 452 CB LEU A 30 -8.573 -54.474 36.854 1.00 0.00 C ATOM 453 CG LEU A 30 -7.510 -54.044 37.880 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.641 -54.860 39.158 1.00 0.00 C ATOM 455 CD2 LEU A 30 -6.107 -54.189 37.297 1.00 0.00 C ATOM 0 H LEU A 30 -9.454 -52.163 36.871 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.670 -53.498 35.166 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.546 -54.472 37.346 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.368 -55.503 36.557 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.674 -52.994 38.121 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.881 -54.542 39.872 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.631 -54.706 39.588 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.505 -55.917 38.930 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.371 -53.880 38.039 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.932 -55.230 37.024 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.015 -53.561 36.411 1.00 0.00 H new ATOM 467 N GLU A 31 -10.873 -54.170 34.689 1.00 0.00 N ATOM 468 CA GLU A 31 -11.806 -54.806 33.771 1.00 0.00 C ATOM 469 C GLU A 31 -11.669 -54.218 32.368 1.00 0.00 C ATOM 470 O GLU A 31 -11.658 -54.951 31.382 1.00 0.00 O ATOM 471 CB GLU A 31 -13.241 -54.631 34.254 1.00 0.00 C ATOM 472 CG GLU A 31 -13.498 -55.144 35.662 1.00 0.00 C ATOM 473 CD GLU A 31 -13.261 -56.633 35.811 1.00 0.00 C ATOM 474 OE1 GLU A 31 -13.782 -57.421 34.975 1.00 0.00 O ATOM 475 OE2 GLU A 31 -12.570 -57.029 36.774 1.00 0.00 O ATOM 0 H GLU A 31 -11.314 -53.627 35.431 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.567 -55.869 33.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.498 -53.573 34.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.909 -55.148 33.565 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.853 -54.609 36.359 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.527 -54.917 35.941 1.00 0.00 H new ATOM 482 N PHE A 32 -11.549 -52.888 32.289 1.00 0.00 N ATOM 483 CA PHE A 32 -11.402 -52.208 30.998 1.00 0.00 C ATOM 484 C PHE A 32 -10.108 -52.605 30.302 1.00 0.00 C ATOM 485 O PHE A 32 -10.079 -52.766 29.079 1.00 0.00 O ATOM 486 CB PHE A 32 -11.480 -50.682 31.148 1.00 0.00 C ATOM 487 CG PHE A 32 -12.869 -50.165 31.407 1.00 0.00 C ATOM 488 CD1 PHE A 32 -13.765 -50.008 30.358 1.00 0.00 C ATOM 489 CD2 PHE A 32 -13.279 -49.835 32.684 1.00 0.00 C ATOM 490 CE1 PHE A 32 -15.043 -49.532 30.585 1.00 0.00 C ATOM 491 CE2 PHE A 32 -14.557 -49.361 32.918 1.00 0.00 C ATOM 492 CZ PHE A 32 -15.439 -49.209 31.867 1.00 0.00 C ATOM 0 H PHE A 32 -11.551 -52.266 33.097 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.237 -52.530 30.376 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.830 -50.374 31.966 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.093 -50.217 30.241 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.460 -50.261 29.353 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.593 -49.949 33.510 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -15.730 -49.413 29.760 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.865 -49.110 33.922 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.437 -48.838 32.048 1.00 0.00 H new ATOM 502 N LEU A 33 -9.049 -52.768 31.078 1.00 0.00 N ATOM 503 CA LEU A 33 -7.760 -53.173 30.533 1.00 0.00 C ATOM 504 C LEU A 33 -7.889 -54.552 29.897 1.00 0.00 C ATOM 505 O LEU A 33 -7.418 -54.793 28.791 1.00 0.00 O ATOM 506 CB LEU A 33 -6.714 -53.205 31.646 1.00 0.00 C ATOM 507 CG LEU A 33 -6.366 -51.850 32.264 1.00 0.00 C ATOM 508 CD1 LEU A 33 -5.439 -52.027 33.442 1.00 0.00 C ATOM 509 CD2 LEU A 33 -5.742 -50.928 31.232 1.00 0.00 C ATOM 0 H LEU A 33 -9.055 -52.626 32.088 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.445 -52.456 29.775 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.071 -53.864 32.437 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.801 -53.649 31.249 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.290 -51.391 32.616 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.203 -51.052 33.869 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.924 -52.646 34.197 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.520 -52.511 33.112 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.504 -49.971 31.696 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.829 -51.381 30.844 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.444 -50.769 30.414 1.00 0.00 H new ATOM 521 N GLU A 34 -8.578 -55.430 30.595 1.00 0.00 N ATOM 522 CA GLU A 34 -8.850 -56.776 30.122 1.00 0.00 C ATOM 523 C GLU A 34 -9.675 -56.755 28.829 1.00 0.00 C ATOM 524 O GLU A 34 -9.660 -57.714 28.059 1.00 0.00 O ATOM 525 CB GLU A 34 -9.581 -57.560 31.210 1.00 0.00 C ATOM 526 CG GLU A 34 -8.722 -57.837 32.434 1.00 0.00 C ATOM 527 CD GLU A 34 -7.572 -58.773 32.129 1.00 0.00 C ATOM 528 OE1 GLU A 34 -7.829 -59.970 31.861 1.00 0.00 O ATOM 529 OE2 GLU A 34 -6.413 -58.320 32.132 1.00 0.00 O ATOM 0 H GLU A 34 -8.970 -55.230 31.515 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.902 -57.265 29.899 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.467 -57.004 31.515 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.926 -58.507 30.795 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.329 -56.896 32.820 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.341 -58.270 33.219 1.00 0.00 H new ATOM 536 N GLN A 35 -10.394 -55.657 28.599 1.00 0.00 N ATOM 537 CA GLN A 35 -11.197 -55.504 27.392 1.00 0.00 C ATOM 538 C GLN A 35 -10.343 -54.968 26.245 1.00 0.00 C ATOM 539 O GLN A 35 -10.785 -54.918 25.096 1.00 0.00 O ATOM 540 CB GLN A 35 -12.363 -54.543 27.640 1.00 0.00 C ATOM 541 CG GLN A 35 -13.247 -54.912 28.803 1.00 0.00 C ATOM 542 CD GLN A 35 -13.787 -56.306 28.706 1.00 0.00 C ATOM 543 OE1 GLN A 35 -14.062 -56.815 27.612 1.00 0.00 O ATOM 544 NE2 GLN A 35 -13.920 -56.944 29.841 1.00 0.00 N ATOM 0 H GLN A 35 -10.435 -54.861 29.235 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.588 -56.485 27.124 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.962 -53.543 27.809 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.974 -54.494 26.738 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.681 -54.811 29.729 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.078 -54.209 28.858 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.680 -56.481 30.718 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.264 -57.904 29.849 1.00 0.00 H new ATOM 553 N GLY A 36 -9.123 -54.577 26.560 1.00 0.00 N ATOM 554 CA GLY A 36 -8.247 -54.009 25.562 1.00 0.00 C ATOM 555 C GLY A 36 -8.348 -52.499 25.511 1.00 0.00 C ATOM 556 O GLY A 36 -7.871 -51.862 24.566 1.00 0.00 O ATOM 0 H GLY A 36 -8.721 -54.643 27.495 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.218 -54.296 25.777 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.495 -54.422 24.584 1.00 0.00 H new ATOM 560 N LYS A 37 -8.967 -51.926 26.527 1.00 0.00 N ATOM 561 CA LYS A 37 -9.135 -50.488 26.615 1.00 0.00 C ATOM 562 C LYS A 37 -8.041 -49.895 27.473 1.00 0.00 C ATOM 563 O LYS A 37 -7.403 -50.598 28.255 1.00 0.00 O ATOM 564 CB LYS A 37 -10.499 -50.137 27.220 1.00 0.00 C ATOM 565 CG LYS A 37 -11.683 -50.671 26.441 1.00 0.00 C ATOM 566 CD LYS A 37 -11.771 -50.060 25.052 1.00 0.00 C ATOM 567 CE LYS A 37 -12.957 -50.649 24.291 1.00 0.00 C ATOM 568 NZ LYS A 37 -13.079 -50.130 22.900 1.00 0.00 N ATOM 0 H LYS A 37 -9.366 -52.442 27.311 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.079 -50.075 25.608 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.543 -50.526 28.237 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.584 -49.053 27.290 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.603 -51.755 26.356 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.602 -50.461 26.988 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.880 -48.978 25.129 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.848 -50.249 24.504 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.857 -51.734 24.259 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.875 -50.429 24.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.333 -50.909 22.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.818 -49.399 22.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.171 -49.719 22.602 1.00 0.00 H new ATOM 582 N HIS A 38 -7.813 -48.617 27.317 1.00 0.00 N ATOM 583 CA HIS A 38 -6.832 -47.924 28.125 1.00 0.00 C ATOM 584 C HIS A 38 -7.550 -47.035 29.107 1.00 0.00 C ATOM 585 O HIS A 38 -8.632 -46.527 28.809 1.00 0.00 O ATOM 586 CB HIS A 38 -5.893 -47.065 27.261 1.00 0.00 C ATOM 587 CG HIS A 38 -4.967 -47.832 26.359 1.00 0.00 C ATOM 588 ND1 HIS A 38 -3.843 -47.269 25.788 1.00 0.00 N ATOM 589 CD2 HIS A 38 -5.002 -49.109 25.914 1.00 0.00 C ATOM 590 CE1 HIS A 38 -3.234 -48.166 25.034 1.00 0.00 C ATOM 591 NE2 HIS A 38 -3.918 -49.286 25.095 1.00 0.00 N ATOM 0 H HIS A 38 -8.293 -48.029 26.636 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.228 -48.668 28.645 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.499 -46.397 26.649 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.294 -46.437 27.920 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.747 -49.852 26.159 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.330 -48.006 24.465 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.680 -50.151 24.609 1.00 0.00 H new ATOM 599 N VAL A 39 -6.975 -46.861 30.274 1.00 0.00 N ATOM 600 CA VAL A 39 -7.551 -45.987 31.263 1.00 0.00 C ATOM 601 C VAL A 39 -6.639 -44.810 31.496 1.00 0.00 C ATOM 602 O VAL A 39 -5.448 -44.974 31.769 1.00 0.00 O ATOM 603 CB VAL A 39 -7.818 -46.711 32.614 1.00 0.00 C ATOM 604 CG1 VAL A 39 -8.117 -45.700 33.713 1.00 0.00 C ATOM 605 CG2 VAL A 39 -8.988 -47.663 32.480 1.00 0.00 C ATOM 0 H VAL A 39 -6.107 -47.315 30.560 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.513 -45.651 30.875 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.922 -47.273 32.878 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.301 -46.225 34.650 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.265 -45.031 33.833 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.999 -45.119 33.443 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.162 -48.162 33.433 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.880 -47.105 32.194 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.765 -48.408 31.716 1.00 0.00 H new ATOM 615 N ARG A 40 -7.190 -43.634 31.371 1.00 0.00 N ATOM 616 CA ARG A 40 -6.454 -42.432 31.602 1.00 0.00 C ATOM 617 C ARG A 40 -6.833 -41.889 32.951 1.00 0.00 C ATOM 618 O ARG A 40 -7.986 -41.520 33.180 1.00 0.00 O ATOM 619 CB ARG A 40 -6.753 -41.401 30.512 1.00 0.00 C ATOM 620 CG ARG A 40 -5.946 -40.118 30.642 1.00 0.00 C ATOM 621 CD ARG A 40 -6.334 -39.099 29.577 1.00 0.00 C ATOM 622 NE ARG A 40 -5.970 -39.531 28.224 1.00 0.00 N ATOM 623 CZ ARG A 40 -6.650 -39.197 27.120 1.00 0.00 C ATOM 624 NH1 ARG A 40 -7.752 -38.445 27.212 1.00 0.00 N ATOM 625 NH2 ARG A 40 -6.231 -39.614 25.924 1.00 0.00 N ATOM 0 H ARG A 40 -8.164 -43.487 31.105 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.386 -42.647 31.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.553 -41.848 29.538 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.815 -41.156 30.539 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.102 -39.688 31.631 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.883 -40.346 30.558 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.409 -38.924 29.622 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.847 -38.148 29.794 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.147 -40.123 28.117 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.076 -38.125 28.125 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.268 -38.192 26.370 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.391 -40.188 25.850 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.750 -39.359 25.084 1.00 0.00 H new ATOM 639 N PHE A 41 -5.884 -41.849 33.842 1.00 0.00 N ATOM 640 CA PHE A 41 -6.130 -41.356 35.176 1.00 0.00 C ATOM 641 C PHE A 41 -5.816 -39.891 35.239 1.00 0.00 C ATOM 642 O PHE A 41 -4.691 -39.478 34.962 1.00 0.00 O ATOM 643 CB PHE A 41 -5.299 -42.115 36.212 1.00 0.00 C ATOM 644 CG PHE A 41 -5.703 -43.553 36.392 1.00 0.00 C ATOM 645 CD1 PHE A 41 -6.788 -43.885 37.189 1.00 0.00 C ATOM 646 CD2 PHE A 41 -4.999 -44.569 35.769 1.00 0.00 C ATOM 647 CE1 PHE A 41 -7.162 -45.202 37.359 1.00 0.00 C ATOM 648 CE2 PHE A 41 -5.365 -45.888 35.937 1.00 0.00 C ATOM 649 CZ PHE A 41 -6.449 -46.205 36.732 1.00 0.00 C ATOM 0 H PHE A 41 -4.925 -42.153 33.672 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.183 -41.515 35.410 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.250 -42.078 35.918 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.379 -41.604 37.171 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.347 -43.104 37.682 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.153 -44.326 35.144 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.010 -45.448 37.981 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.805 -46.671 35.448 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.739 -47.237 36.863 1.00 0.00 H new ATOM 659 N ARG A 42 -6.806 -39.105 35.576 1.00 0.00 N ATOM 660 CA ARG A 42 -6.633 -37.675 35.653 1.00 0.00 C ATOM 661 C ARG A 42 -7.093 -37.195 37.011 1.00 0.00 C ATOM 662 O ARG A 42 -8.162 -37.584 37.484 1.00 0.00 O ATOM 663 CB ARG A 42 -7.442 -36.988 34.544 1.00 0.00 C ATOM 664 CG ARG A 42 -7.096 -37.485 33.145 1.00 0.00 C ATOM 665 CD ARG A 42 -7.899 -36.777 32.065 1.00 0.00 C ATOM 666 NE ARG A 42 -7.488 -35.385 31.893 1.00 0.00 N ATOM 667 CZ ARG A 42 -8.075 -34.526 31.056 1.00 0.00 C ATOM 668 NH1 ARG A 42 -9.075 -34.926 30.271 1.00 0.00 N ATOM 669 NH2 ARG A 42 -7.634 -33.275 30.973 1.00 0.00 N ATOM 0 H ARG A 42 -7.745 -39.432 35.803 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.581 -37.425 35.518 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.504 -37.150 34.726 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.270 -35.913 34.592 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.032 -37.334 32.961 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.280 -38.558 33.087 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.781 -37.308 31.120 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.958 -36.812 32.320 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.702 -35.048 32.448 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.396 -35.893 30.307 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.519 -34.265 29.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.848 -32.972 31.548 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.081 -32.618 30.334 1.00 0.00 H new ATOM 683 N VAL A 43 -6.307 -36.362 37.636 1.00 0.00 N ATOM 684 CA VAL A 43 -6.651 -35.857 38.940 1.00 0.00 C ATOM 685 C VAL A 43 -6.737 -34.347 38.937 1.00 0.00 C ATOM 686 O VAL A 43 -5.857 -33.654 38.416 1.00 0.00 O ATOM 687 CB VAL A 43 -5.653 -36.333 40.040 1.00 0.00 C ATOM 688 CG1 VAL A 43 -4.226 -36.052 39.638 1.00 0.00 C ATOM 689 CG2 VAL A 43 -5.963 -35.674 41.376 1.00 0.00 C ATOM 0 H VAL A 43 -5.422 -36.017 37.264 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.632 -36.266 39.181 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.772 -37.411 40.149 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.553 -36.394 40.424 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.999 -36.578 38.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.094 -34.980 39.489 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.253 -36.022 42.127 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.883 -34.592 41.275 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.975 -35.936 41.685 1.00 0.00 H new ATOM 699 N PHE A 44 -7.815 -33.847 39.494 1.00 0.00 N ATOM 700 CA PHE A 44 -8.029 -32.431 39.621 1.00 0.00 C ATOM 701 C PHE A 44 -7.708 -32.013 41.041 1.00 0.00 C ATOM 702 O PHE A 44 -8.246 -32.578 41.999 1.00 0.00 O ATOM 703 CB PHE A 44 -9.478 -32.078 39.266 1.00 0.00 C ATOM 704 CG PHE A 44 -9.788 -30.605 39.321 1.00 0.00 C ATOM 705 CD1 PHE A 44 -9.428 -29.768 38.276 1.00 0.00 C ATOM 706 CD2 PHE A 44 -10.452 -30.062 40.408 1.00 0.00 C ATOM 707 CE1 PHE A 44 -9.721 -28.419 38.316 1.00 0.00 C ATOM 708 CE2 PHE A 44 -10.745 -28.712 40.455 1.00 0.00 C ATOM 709 CZ PHE A 44 -10.379 -27.889 39.406 1.00 0.00 C ATOM 0 H PHE A 44 -8.571 -34.418 39.873 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.376 -31.896 38.931 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.694 -32.446 38.263 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.146 -32.604 39.949 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.912 -30.176 37.420 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.744 -30.701 41.228 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.435 -27.779 37.494 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.260 -28.300 41.311 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.608 -26.834 39.440 1.00 0.00 H new ATOM 719 N LEU A 45 -6.816 -31.063 41.177 1.00 0.00 N ATOM 720 CA LEU A 45 -6.404 -30.595 42.482 1.00 0.00 C ATOM 721 C LEU A 45 -7.488 -29.700 43.059 1.00 0.00 C ATOM 722 O LEU A 45 -7.994 -28.814 42.375 1.00 0.00 O ATOM 723 CB LEU A 45 -5.080 -29.841 42.362 1.00 0.00 C ATOM 724 CG LEU A 45 -3.969 -30.582 41.598 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.695 -29.769 41.566 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.712 -31.942 42.204 1.00 0.00 C ATOM 0 H LEU A 45 -6.357 -30.595 40.396 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.257 -31.442 43.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.267 -28.889 41.866 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.719 -29.612 43.365 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.309 -30.722 40.572 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.927 -30.317 41.020 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.883 -28.817 41.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.354 -29.586 42.585 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.923 -32.446 41.646 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.404 -31.825 43.243 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.624 -32.538 42.161 1.00 0.00 H new ATOM 738 N LYS A 46 -7.835 -29.915 44.311 1.00 0.00 N ATOM 739 CA LYS A 46 -8.943 -29.199 44.911 1.00 0.00 C ATOM 740 C LYS A 46 -8.480 -28.233 46.001 1.00 0.00 C ATOM 741 O LYS A 46 -7.941 -28.647 47.034 1.00 0.00 O ATOM 742 CB LYS A 46 -9.952 -30.205 45.473 1.00 0.00 C ATOM 743 CG LYS A 46 -11.217 -29.579 46.045 1.00 0.00 C ATOM 744 CD LYS A 46 -12.186 -30.644 46.545 1.00 0.00 C ATOM 745 CE LYS A 46 -12.783 -31.449 45.392 1.00 0.00 C ATOM 746 NZ LYS A 46 -13.845 -32.383 45.853 1.00 0.00 N ATOM 0 H LYS A 46 -7.368 -30.577 44.931 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.418 -28.596 44.137 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.232 -30.900 44.682 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.466 -30.790 46.254 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.955 -28.909 46.864 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.703 -28.973 45.280 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.667 -31.316 47.228 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.988 -30.170 47.112 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.198 -30.766 44.650 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.993 -32.014 44.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.222 -32.909 45.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.444 -33.052 46.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.612 -31.842 46.302 1.00 0.00 H new ATOM 760 N GLY A 47 -8.709 -26.950 45.774 1.00 0.00 N ATOM 761 CA GLY A 47 -8.345 -25.944 46.743 1.00 0.00 C ATOM 762 C GLY A 47 -6.939 -25.432 46.543 1.00 0.00 C ATOM 763 O GLY A 47 -6.525 -25.161 45.414 1.00 0.00 O ATOM 0 H GLY A 47 -9.145 -26.586 44.927 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.045 -25.111 46.677 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.438 -26.360 47.746 1.00 0.00 H new ATOM 767 N ARG A 48 -6.184 -25.331 47.635 1.00 0.00 N ATOM 768 CA ARG A 48 -4.816 -24.821 47.572 1.00 0.00 C ATOM 769 C ARG A 48 -3.878 -25.861 46.977 1.00 0.00 C ATOM 770 O ARG A 48 -2.705 -25.584 46.717 1.00 0.00 O ATOM 771 CB ARG A 48 -4.307 -24.395 48.952 1.00 0.00 C ATOM 772 CG ARG A 48 -5.157 -23.343 49.640 1.00 0.00 C ATOM 773 CD ARG A 48 -4.438 -22.766 50.851 1.00 0.00 C ATOM 774 NE ARG A 48 -4.075 -23.789 51.833 1.00 0.00 N ATOM 775 CZ ARG A 48 -3.246 -23.575 52.860 1.00 0.00 C ATOM 776 NH1 ARG A 48 -2.733 -22.361 53.067 1.00 0.00 N ATOM 777 NH2 ARG A 48 -2.939 -24.570 53.681 1.00 0.00 N ATOM 0 H ARG A 48 -6.495 -25.594 48.570 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.831 -23.942 46.927 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.252 -25.275 49.593 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.292 -24.012 48.848 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.392 -22.544 48.937 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.105 -23.783 49.951 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.537 -22.249 50.521 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.076 -22.022 51.327 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.478 -24.720 51.728 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.973 -21.592 52.441 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.101 -22.201 53.851 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.335 -25.498 53.529 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.307 -24.408 54.465 1.00 0.00 H new ATOM 791 N GLU A 49 -4.411 -27.055 46.758 1.00 0.00 N ATOM 792 CA GLU A 49 -3.662 -28.159 46.185 1.00 0.00 C ATOM 793 C GLU A 49 -3.148 -27.806 44.796 1.00 0.00 C ATOM 794 O GLU A 49 -2.151 -28.353 44.344 1.00 0.00 O ATOM 795 CB GLU A 49 -4.551 -29.385 46.101 1.00 0.00 C ATOM 796 CG GLU A 49 -4.931 -29.949 47.449 1.00 0.00 C ATOM 797 CD GLU A 49 -5.948 -31.058 47.351 1.00 0.00 C ATOM 798 OE1 GLU A 49 -6.453 -31.316 46.239 1.00 0.00 O ATOM 799 OE2 GLU A 49 -6.265 -31.663 48.404 1.00 0.00 O ATOM 0 H GLU A 49 -5.381 -27.284 46.975 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.806 -28.365 46.827 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.459 -29.129 45.555 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.039 -30.156 45.525 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.037 -30.325 47.946 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.330 -29.150 48.073 1.00 0.00 H new ATOM 806 N MET A 50 -3.819 -26.864 44.141 1.00 0.00 N ATOM 807 CA MET A 50 -3.457 -26.454 42.794 1.00 0.00 C ATOM 808 C MET A 50 -2.059 -25.851 42.750 1.00 0.00 C ATOM 809 O MET A 50 -1.368 -25.934 41.735 1.00 0.00 O ATOM 810 CB MET A 50 -4.486 -25.482 42.226 1.00 0.00 C ATOM 811 CG MET A 50 -5.857 -26.105 42.028 1.00 0.00 C ATOM 812 SD MET A 50 -7.028 -24.997 41.232 1.00 0.00 S ATOM 813 CE MET A 50 -6.344 -24.963 39.579 1.00 0.00 C ATOM 0 H MET A 50 -4.622 -26.368 44.527 1.00 0.00 H new ATOM 0 HA MET A 50 -3.450 -27.347 42.169 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.577 -24.627 42.896 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.126 -25.101 41.270 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.755 -27.009 41.427 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.254 -26.409 42.996 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.102 -24.613 38.879 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.488 -24.289 39.553 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.024 -25.966 39.297 1.00 0.00 H new ATOM 823 N ALA A 51 -1.645 -25.244 43.853 1.00 0.00 N ATOM 824 CA ALA A 51 -0.316 -24.657 43.946 1.00 0.00 C ATOM 825 C ALA A 51 0.755 -25.747 44.070 1.00 0.00 C ATOM 826 O ALA A 51 1.950 -25.469 43.982 1.00 0.00 O ATOM 827 CB ALA A 51 -0.237 -23.704 45.129 1.00 0.00 C ATOM 0 H ALA A 51 -2.210 -25.145 44.696 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.129 -24.095 43.031 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.763 -23.274 45.184 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.969 -22.906 45.003 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.449 -24.248 46.049 1.00 0.00 H new ATOM 833 N THR A 52 0.325 -26.980 44.283 1.00 0.00 N ATOM 834 CA THR A 52 1.245 -28.089 44.430 1.00 0.00 C ATOM 835 C THR A 52 0.882 -29.246 43.494 1.00 0.00 C ATOM 836 O THR A 52 0.053 -30.098 43.816 1.00 0.00 O ATOM 837 CB THR A 52 1.285 -28.580 45.886 1.00 0.00 C ATOM 838 OG1 THR A 52 1.501 -27.464 46.759 1.00 0.00 O ATOM 839 CG2 THR A 52 2.390 -29.603 46.087 1.00 0.00 C ATOM 0 H THR A 52 -0.660 -27.236 44.358 1.00 0.00 H new ATOM 0 HA THR A 52 2.236 -27.727 44.155 1.00 0.00 H new ATOM 0 HB THR A 52 0.332 -29.055 46.116 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.525 -27.775 47.688 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.396 -29.933 47.126 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.216 -30.459 45.435 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.352 -29.152 45.845 1.00 0.00 H new ATOM 847 N PRO A 53 1.526 -29.278 42.325 1.00 0.00 N ATOM 848 CA PRO A 53 1.289 -30.307 41.300 1.00 0.00 C ATOM 849 C PRO A 53 1.771 -31.685 41.752 1.00 0.00 C ATOM 850 O PRO A 53 1.360 -32.717 41.213 1.00 0.00 O ATOM 851 CB PRO A 53 2.110 -29.808 40.108 1.00 0.00 C ATOM 852 CG PRO A 53 3.155 -28.921 40.703 1.00 0.00 C ATOM 853 CD PRO A 53 2.544 -28.305 41.914 1.00 0.00 C ATOM 0 HA PRO A 53 0.230 -30.436 41.077 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.560 -30.638 39.564 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.486 -29.263 39.400 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.046 -29.492 40.965 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.465 -28.155 39.992 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.284 -28.145 42.698 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.102 -27.334 41.690 1.00 0.00 H new ATOM 861 N GLU A 54 2.626 -31.678 42.763 1.00 0.00 N ATOM 862 CA GLU A 54 3.202 -32.889 43.331 1.00 0.00 C ATOM 863 C GLU A 54 2.113 -33.783 43.933 1.00 0.00 C ATOM 864 O GLU A 54 2.222 -35.013 43.910 1.00 0.00 O ATOM 865 CB GLU A 54 4.215 -32.502 44.408 1.00 0.00 C ATOM 866 CG GLU A 54 4.929 -33.666 45.050 1.00 0.00 C ATOM 867 CD GLU A 54 5.873 -33.209 46.128 1.00 0.00 C ATOM 868 OE1 GLU A 54 6.744 -32.367 45.842 1.00 0.00 O ATOM 869 OE2 GLU A 54 5.746 -33.680 47.271 1.00 0.00 O ATOM 0 H GLU A 54 2.944 -30.822 43.218 1.00 0.00 H new ATOM 0 HA GLU A 54 3.698 -33.450 42.539 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.957 -31.837 43.967 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.701 -31.936 45.185 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.197 -34.354 45.474 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.483 -34.218 44.290 1.00 0.00 H new ATOM 876 N ALA A 55 1.058 -33.150 44.442 1.00 0.00 N ATOM 877 CA ALA A 55 -0.042 -33.863 45.083 1.00 0.00 C ATOM 878 C ALA A 55 -0.733 -34.807 44.104 1.00 0.00 C ATOM 879 O ALA A 55 -1.073 -35.940 44.452 1.00 0.00 O ATOM 880 CB ALA A 55 -1.041 -32.872 45.664 1.00 0.00 C ATOM 0 H ALA A 55 0.943 -32.137 44.422 1.00 0.00 H new ATOM 0 HA ALA A 55 0.369 -34.466 45.893 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.858 -33.415 46.140 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.543 -32.245 46.403 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.439 -32.246 44.865 1.00 0.00 H new ATOM 886 N GLY A 56 -0.921 -34.340 42.875 1.00 0.00 N ATOM 887 CA GLY A 56 -1.548 -35.159 41.854 1.00 0.00 C ATOM 888 C GLY A 56 -0.711 -36.360 41.509 1.00 0.00 C ATOM 889 O GLY A 56 -1.232 -37.452 41.289 1.00 0.00 O ATOM 0 H GLY A 56 -0.650 -33.406 42.567 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.528 -35.487 42.202 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.712 -34.561 40.958 1.00 0.00 H new ATOM 893 N VAL A 57 0.590 -36.155 41.475 1.00 0.00 N ATOM 894 CA VAL A 57 1.526 -37.209 41.160 1.00 0.00 C ATOM 895 C VAL A 57 1.469 -38.307 42.221 1.00 0.00 C ATOM 896 O VAL A 57 1.379 -39.495 41.898 1.00 0.00 O ATOM 897 CB VAL A 57 2.966 -36.652 41.075 1.00 0.00 C ATOM 898 CG1 VAL A 57 3.956 -37.760 40.782 1.00 0.00 C ATOM 899 CG2 VAL A 57 3.055 -35.567 40.014 1.00 0.00 C ATOM 0 H VAL A 57 1.026 -35.253 41.665 1.00 0.00 H new ATOM 0 HA VAL A 57 1.249 -37.628 40.193 1.00 0.00 H new ATOM 0 HB VAL A 57 3.219 -36.215 42.041 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.962 -37.344 40.727 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.914 -38.505 41.577 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.705 -38.230 39.831 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.075 -35.186 39.968 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.778 -35.982 39.045 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.375 -34.754 40.268 1.00 0.00 H new ATOM 909 N ALA A 58 1.469 -37.893 43.485 1.00 0.00 N ATOM 910 CA ALA A 58 1.444 -38.830 44.597 1.00 0.00 C ATOM 911 C ALA A 58 0.186 -39.686 44.573 1.00 0.00 C ATOM 912 O ALA A 58 0.237 -40.887 44.842 1.00 0.00 O ATOM 913 CB ALA A 58 1.547 -38.077 45.915 1.00 0.00 C ATOM 0 H ALA A 58 1.486 -36.912 43.762 1.00 0.00 H new ATOM 0 HA ALA A 58 2.301 -39.496 44.498 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.527 -38.787 46.742 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.481 -37.515 45.941 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.707 -37.389 46.008 1.00 0.00 H new ATOM 919 N LEU A 59 -0.944 -39.064 44.269 1.00 0.00 N ATOM 920 CA LEU A 59 -2.206 -39.783 44.187 1.00 0.00 C ATOM 921 C LEU A 59 -2.171 -40.811 43.061 1.00 0.00 C ATOM 922 O LEU A 59 -2.529 -41.972 43.257 1.00 0.00 O ATOM 923 CB LEU A 59 -3.364 -38.812 43.951 1.00 0.00 C ATOM 924 CG LEU A 59 -4.748 -39.454 43.791 1.00 0.00 C ATOM 925 CD1 LEU A 59 -5.238 -40.040 45.105 1.00 0.00 C ATOM 926 CD2 LEU A 59 -5.740 -38.452 43.254 1.00 0.00 C ATOM 0 H LEU A 59 -1.012 -38.065 44.075 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.357 -40.299 45.135 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.403 -38.112 44.786 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.148 -38.229 43.056 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.657 -40.270 43.074 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.221 -40.488 44.960 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.539 -40.803 45.446 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.306 -39.250 45.853 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.715 -38.927 43.148 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.819 -37.612 43.944 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.404 -38.092 42.282 1.00 0.00 H new ATOM 938 N LEU A 60 -1.705 -40.384 41.891 1.00 0.00 N ATOM 939 CA LEU A 60 -1.667 -41.247 40.723 1.00 0.00 C ATOM 940 C LEU A 60 -0.728 -42.422 40.917 1.00 0.00 C ATOM 941 O LEU A 60 -1.045 -43.542 40.526 1.00 0.00 O ATOM 942 CB LEU A 60 -1.295 -40.461 39.473 1.00 0.00 C ATOM 943 CG LEU A 60 -2.309 -39.396 39.033 1.00 0.00 C ATOM 944 CD1 LEU A 60 -1.832 -38.696 37.785 1.00 0.00 C ATOM 945 CD2 LEU A 60 -3.685 -40.007 38.810 1.00 0.00 C ATOM 0 H LEU A 60 -1.348 -39.442 41.730 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.671 -41.649 40.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.335 -39.974 39.644 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.154 -41.164 38.652 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.394 -38.661 39.833 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.563 -37.944 37.487 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.875 -38.213 37.982 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.713 -39.424 36.983 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.382 -39.229 38.499 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.623 -40.770 38.034 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.036 -40.460 39.737 1.00 0.00 H new ATOM 957 N GLU A 61 0.427 -42.175 41.519 1.00 0.00 N ATOM 958 CA GLU A 61 1.377 -43.241 41.775 1.00 0.00 C ATOM 959 C GLU A 61 0.792 -44.255 42.751 1.00 0.00 C ATOM 960 O GLU A 61 1.030 -45.457 42.625 1.00 0.00 O ATOM 961 CB GLU A 61 2.701 -42.681 42.300 1.00 0.00 C ATOM 962 CG GLU A 61 3.394 -41.741 41.322 1.00 0.00 C ATOM 963 CD GLU A 61 3.728 -42.402 39.997 1.00 0.00 C ATOM 964 OE1 GLU A 61 2.804 -42.648 39.213 1.00 0.00 O ATOM 965 OE2 GLU A 61 4.920 -42.673 39.734 1.00 0.00 O ATOM 0 H GLU A 61 0.725 -41.252 41.836 1.00 0.00 H new ATOM 0 HA GLU A 61 1.580 -43.750 40.833 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.517 -42.150 43.234 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.370 -43.509 42.532 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.753 -40.879 41.140 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.311 -41.366 41.776 1.00 0.00 H new ATOM 972 N LYS A 62 0.007 -43.769 43.720 1.00 0.00 N ATOM 973 CA LYS A 62 -0.650 -44.644 44.683 1.00 0.00 C ATOM 974 C LYS A 62 -1.644 -45.549 43.946 1.00 0.00 C ATOM 975 O LYS A 62 -1.756 -46.742 44.237 1.00 0.00 O ATOM 976 CB LYS A 62 -1.367 -43.821 45.772 1.00 0.00 C ATOM 977 CG LYS A 62 -1.874 -44.647 46.946 1.00 0.00 C ATOM 978 CD LYS A 62 -2.455 -43.759 48.036 1.00 0.00 C ATOM 979 CE LYS A 62 -2.934 -44.575 49.227 1.00 0.00 C ATOM 980 NZ LYS A 62 -3.463 -43.711 50.321 1.00 0.00 N ATOM 0 H LYS A 62 -0.185 -42.776 43.853 1.00 0.00 H new ATOM 0 HA LYS A 62 0.101 -45.261 45.176 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.682 -43.060 46.146 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.209 -43.297 45.320 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.635 -45.347 46.600 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.057 -45.241 47.355 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.701 -43.044 48.364 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.287 -43.182 47.631 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.712 -45.266 48.903 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.110 -45.178 49.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.476 -44.248 51.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.853 -42.875 50.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.429 -43.406 50.086 1.00 0.00 H new ATOM 994 N ILE A 63 -2.353 -44.961 42.981 1.00 0.00 N ATOM 995 CA ILE A 63 -3.291 -45.698 42.137 1.00 0.00 C ATOM 996 C ILE A 63 -2.538 -46.720 41.297 1.00 0.00 C ATOM 997 O ILE A 63 -2.947 -47.876 41.184 1.00 0.00 O ATOM 998 CB ILE A 63 -4.054 -44.754 41.183 1.00 0.00 C ATOM 999 CG1 ILE A 63 -4.757 -43.655 41.969 1.00 0.00 C ATOM 1000 CG2 ILE A 63 -5.052 -45.534 40.333 1.00 0.00 C ATOM 1001 CD1 ILE A 63 -5.403 -42.608 41.094 1.00 0.00 C ATOM 0 H ILE A 63 -2.293 -43.966 42.764 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.005 -46.192 42.796 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.332 -44.288 40.513 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.518 -44.105 42.606 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.035 -43.172 42.628 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.578 -44.848 39.669 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.521 -46.279 39.740 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.771 -46.033 40.982 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.885 -41.857 41.720 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.643 -42.131 40.475 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.149 -43.079 40.454 1.00 0.00 H new ATOM 1013 N TRP A 64 -1.426 -46.278 40.720 1.00 0.00 N ATOM 1014 CA TRP A 64 -0.573 -47.128 39.901 1.00 0.00 C ATOM 1015 C TRP A 64 -0.086 -48.325 40.700 1.00 0.00 C ATOM 1016 O TRP A 64 -0.009 -49.419 40.186 1.00 0.00 O ATOM 1017 CB TRP A 64 0.610 -46.332 39.337 1.00 0.00 C ATOM 1018 CG TRP A 64 1.624 -47.187 38.636 1.00 0.00 C ATOM 1019 CD1 TRP A 64 2.932 -47.356 38.980 1.00 0.00 C ATOM 1020 CD2 TRP A 64 1.409 -48.010 37.483 1.00 0.00 C ATOM 1021 NE1 TRP A 64 3.538 -48.222 38.103 1.00 0.00 N ATOM 1022 CE2 TRP A 64 2.628 -48.639 37.191 1.00 0.00 C ATOM 1023 CE3 TRP A 64 0.308 -48.273 36.672 1.00 0.00 C ATOM 1024 CZ2 TRP A 64 2.777 -49.514 36.136 1.00 0.00 C ATOM 1025 CZ3 TRP A 64 0.463 -49.146 35.616 1.00 0.00 C ATOM 1026 CH2 TRP A 64 1.690 -49.756 35.362 1.00 0.00 C ATOM 0 H TRP A 64 -1.091 -45.319 40.808 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.163 -47.495 39.061 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.235 -45.582 38.641 1.00 0.00 H new ATOM 0 HB3 TRP A 64 1.098 -45.796 40.151 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.419 -46.880 39.818 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.517 -48.506 38.134 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.645 -47.804 36.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.725 -49.990 35.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.380 -49.360 34.976 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.777 -50.438 34.529 1.00 0.00 H new ATOM 1037 N THR A 65 0.218 -48.104 41.965 1.00 0.00 N ATOM 1038 CA THR A 65 0.666 -49.172 42.846 1.00 0.00 C ATOM 1039 C THR A 65 -0.390 -50.298 42.900 1.00 0.00 C ATOM 1040 O THR A 65 -0.062 -51.479 42.927 1.00 0.00 O ATOM 1041 CB THR A 65 0.942 -48.639 44.277 1.00 0.00 C ATOM 1042 OG1 THR A 65 1.788 -47.474 44.218 1.00 0.00 O ATOM 1043 CG2 THR A 65 1.607 -49.700 45.140 1.00 0.00 C ATOM 0 H THR A 65 0.163 -47.188 42.410 1.00 0.00 H new ATOM 0 HA THR A 65 1.597 -49.571 42.444 1.00 0.00 H new ATOM 0 HB THR A 65 -0.016 -48.376 44.725 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.269 -46.709 43.893 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.788 -49.297 46.137 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.955 -50.571 45.213 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.555 -49.994 44.690 1.00 0.00 H new ATOM 1051 N MET A 66 -1.649 -49.902 42.913 1.00 0.00 N ATOM 1052 CA MET A 66 -2.770 -50.831 42.959 1.00 0.00 C ATOM 1053 C MET A 66 -2.903 -51.667 41.673 1.00 0.00 C ATOM 1054 O MET A 66 -3.176 -52.861 41.735 1.00 0.00 O ATOM 1055 CB MET A 66 -4.064 -50.054 43.185 1.00 0.00 C ATOM 1056 CG MET A 66 -4.157 -49.363 44.535 1.00 0.00 C ATOM 1057 SD MET A 66 -4.215 -50.526 45.909 1.00 0.00 S ATOM 1058 CE MET A 66 -5.821 -51.279 45.635 1.00 0.00 C ATOM 0 H MET A 66 -1.928 -48.921 42.892 1.00 0.00 H new ATOM 0 HA MET A 66 -2.582 -51.522 43.781 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.165 -49.305 42.400 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.906 -50.738 43.083 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.299 -48.702 44.660 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.049 -48.736 44.557 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.167 -51.744 46.558 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.533 -50.514 45.325 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.740 -52.036 44.855 1.00 0.00 H new ATOM 1068 N ILE A 67 -2.697 -51.033 40.515 1.00 0.00 N ATOM 1069 CA ILE A 67 -2.924 -51.699 39.213 1.00 0.00 C ATOM 1070 C ILE A 67 -1.652 -52.170 38.515 1.00 0.00 C ATOM 1071 O ILE A 67 -1.732 -52.848 37.494 1.00 0.00 O ATOM 1072 CB ILE A 67 -3.695 -50.782 38.245 1.00 0.00 C ATOM 1073 CG1 ILE A 67 -2.960 -49.447 38.083 1.00 0.00 C ATOM 1074 CG2 ILE A 67 -5.120 -50.569 38.721 1.00 0.00 C ATOM 1075 CD1 ILE A 67 -3.549 -48.544 37.031 1.00 0.00 C ATOM 0 H ILE A 67 -2.376 -50.067 40.444 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.509 -52.585 39.461 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.743 -51.267 37.270 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.964 -48.924 39.039 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.918 -49.646 37.833 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.644 -49.918 38.021 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.632 -51.529 38.777 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.109 -50.106 39.708 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.972 -47.621 36.979 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.520 -49.045 36.063 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.582 -48.312 37.288 1.00 0.00 H new ATOM 1087 N GLU A 68 -0.495 -51.836 39.056 1.00 0.00 N ATOM 1088 CA GLU A 68 0.786 -52.214 38.432 1.00 0.00 C ATOM 1089 C GLU A 68 0.904 -53.728 38.280 1.00 0.00 C ATOM 1090 O GLU A 68 1.672 -54.225 37.460 1.00 0.00 O ATOM 1091 CB GLU A 68 1.958 -51.708 39.265 1.00 0.00 C ATOM 1092 CG GLU A 68 2.028 -52.342 40.638 1.00 0.00 C ATOM 1093 CD GLU A 68 3.259 -51.956 41.416 1.00 0.00 C ATOM 1094 OE1 GLU A 68 4.152 -51.311 40.842 1.00 0.00 O ATOM 1095 OE2 GLU A 68 3.350 -52.331 42.614 1.00 0.00 O ATOM 0 H GLU A 68 -0.402 -51.306 39.923 1.00 0.00 H new ATOM 0 HA GLU A 68 0.812 -51.755 37.443 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.888 -51.907 38.732 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.878 -50.626 39.374 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.144 -52.056 41.207 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.001 -53.426 40.531 1.00 0.00 H new ATOM 1102 N ASN A 69 0.128 -54.445 39.072 1.00 0.00 N ATOM 1103 CA ASN A 69 0.148 -55.888 39.070 1.00 0.00 C ATOM 1104 C ASN A 69 -0.323 -56.472 37.741 1.00 0.00 C ATOM 1105 O ASN A 69 0.158 -57.524 37.326 1.00 0.00 O ATOM 1106 CB ASN A 69 -0.670 -56.460 40.248 1.00 0.00 C ATOM 1107 CG ASN A 69 -2.096 -55.919 40.350 1.00 0.00 C ATOM 1108 OD1 ASN A 69 -2.710 -55.523 39.362 1.00 0.00 O ATOM 1109 ND2 ASN A 69 -2.629 -55.914 41.551 1.00 0.00 N ATOM 0 H ASN A 69 -0.533 -54.038 39.734 1.00 0.00 H new ATOM 0 HA ASN A 69 1.188 -56.189 39.200 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.712 -57.545 40.152 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.145 -56.243 41.178 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.581 -55.574 41.685 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.090 -56.250 42.349 1.00 0.00 H new ATOM 1116 N GLU A 70 -1.265 -55.799 37.074 1.00 0.00 N ATOM 1117 CA GLU A 70 -1.805 -56.306 35.815 1.00 0.00 C ATOM 1118 C GLU A 70 -1.845 -55.239 34.717 1.00 0.00 C ATOM 1119 O GLU A 70 -2.369 -55.478 33.632 1.00 0.00 O ATOM 1120 CB GLU A 70 -3.207 -56.883 36.022 1.00 0.00 C ATOM 1121 CG GLU A 70 -3.244 -58.062 36.971 1.00 0.00 C ATOM 1122 CD GLU A 70 -2.353 -59.214 36.523 1.00 0.00 C ATOM 1123 OE1 GLU A 70 -1.975 -59.272 35.332 1.00 0.00 O ATOM 1124 OE2 GLU A 70 -2.017 -60.070 37.369 1.00 0.00 O ATOM 0 H GLU A 70 -1.664 -54.912 37.382 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.128 -57.094 35.484 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.860 -56.099 36.405 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.610 -57.191 35.057 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.933 -57.733 37.963 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.271 -58.417 37.061 1.00 0.00 H new ATOM 1131 N ALA A 71 -1.285 -54.079 34.987 1.00 0.00 N ATOM 1132 CA ALA A 71 -1.309 -52.992 34.024 1.00 0.00 C ATOM 1133 C ALA A 71 0.099 -52.535 33.670 1.00 0.00 C ATOM 1134 O ALA A 71 1.045 -52.765 34.419 1.00 0.00 O ATOM 1135 CB ALA A 71 -2.122 -51.818 34.571 1.00 0.00 C ATOM 0 H ALA A 71 -0.808 -53.862 35.862 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.782 -53.361 33.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.132 -51.010 33.839 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.144 -52.143 34.767 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.670 -51.463 35.497 1.00 0.00 H new ATOM 1141 N ASN A 72 0.229 -51.908 32.513 1.00 0.00 N ATOM 1142 CA ASN A 72 1.489 -51.352 32.063 1.00 0.00 C ATOM 1143 C ASN A 72 1.373 -49.836 32.061 1.00 0.00 C ATOM 1144 O ASN A 72 0.285 -49.291 31.867 1.00 0.00 O ATOM 1145 CB ASN A 72 1.842 -51.821 30.636 1.00 0.00 C ATOM 1146 CG ASN A 72 1.899 -53.339 30.453 1.00 0.00 C ATOM 1147 OD1 ASN A 72 1.674 -53.849 29.354 1.00 0.00 O ATOM 1148 ND2 ASN A 72 2.181 -54.065 31.510 1.00 0.00 N ATOM 0 H ASN A 72 -0.541 -51.771 31.858 1.00 0.00 H new ATOM 0 HA ASN A 72 2.275 -51.691 32.738 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.106 -51.413 29.943 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.808 -51.400 30.359 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.219 -55.082 31.435 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.362 -53.612 32.406 1.00 0.00 H new ATOM 1155 N ARG A 73 2.476 -49.160 32.266 1.00 0.00 N ATOM 1156 CA ARG A 73 2.486 -47.724 32.307 1.00 0.00 C ATOM 1157 C ARG A 73 2.844 -47.135 30.942 1.00 0.00 C ATOM 1158 O ARG A 73 3.952 -47.319 30.452 1.00 0.00 O ATOM 1159 CB ARG A 73 3.455 -47.245 33.384 1.00 0.00 C ATOM 1160 CG ARG A 73 3.914 -45.826 33.185 1.00 0.00 C ATOM 1161 CD ARG A 73 4.374 -45.191 34.478 1.00 0.00 C ATOM 1162 NE ARG A 73 3.246 -44.975 35.380 1.00 0.00 N ATOM 1163 CZ ARG A 73 3.325 -44.390 36.573 1.00 0.00 C ATOM 1164 NH1 ARG A 73 4.496 -43.983 37.051 1.00 0.00 N ATOM 1165 NH2 ARG A 73 2.231 -44.214 37.293 1.00 0.00 N ATOM 0 H ARG A 73 3.389 -49.591 32.409 1.00 0.00 H new ATOM 0 HA ARG A 73 1.484 -47.375 32.557 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.975 -47.331 34.359 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.325 -47.902 33.398 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.729 -45.807 32.462 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.100 -45.238 32.762 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.113 -45.831 34.960 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.864 -44.240 34.267 1.00 0.00 H new ATOM 0 HE ARG A 73 2.328 -45.297 35.073 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.345 -44.118 36.503 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.546 -43.536 37.966 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.329 -44.526 36.934 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.289 -43.766 38.208 1.00 0.00 H new ATOM 1179 N ASP A 74 1.882 -46.462 30.322 1.00 0.00 N ATOM 1180 CA ASP A 74 2.104 -45.819 29.022 1.00 0.00 C ATOM 1181 C ASP A 74 2.865 -44.517 29.198 1.00 0.00 C ATOM 1182 O ASP A 74 3.809 -44.221 28.461 1.00 0.00 O ATOM 1183 CB ASP A 74 0.774 -45.551 28.307 1.00 0.00 C ATOM 1184 CG ASP A 74 0.959 -44.871 26.954 1.00 0.00 C ATOM 1185 OD1 ASP A 74 1.147 -45.589 25.944 1.00 0.00 O ATOM 1186 OD2 ASP A 74 0.918 -43.619 26.891 1.00 0.00 O ATOM 0 H ASP A 74 0.940 -46.344 30.694 1.00 0.00 H new ATOM 0 HA ASP A 74 2.696 -46.499 28.409 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.246 -46.494 28.166 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.145 -44.925 28.941 1.00 0.00 H new ATOM 1191 N LYS A 75 2.443 -43.739 30.181 1.00 0.00 N ATOM 1192 CA LYS A 75 3.058 -42.458 30.473 1.00 0.00 C ATOM 1193 C LYS A 75 3.034 -42.189 31.971 1.00 0.00 C ATOM 1194 O LYS A 75 2.140 -42.654 32.678 1.00 0.00 O ATOM 1195 CB LYS A 75 2.353 -41.321 29.711 1.00 0.00 C ATOM 1196 CG LYS A 75 2.929 -39.942 30.009 1.00 0.00 C ATOM 1197 CD LYS A 75 2.255 -38.840 29.210 1.00 0.00 C ATOM 1198 CE LYS A 75 2.634 -38.910 27.743 1.00 0.00 C ATOM 1199 NZ LYS A 75 2.159 -37.725 26.992 1.00 0.00 N ATOM 0 H LYS A 75 1.666 -43.978 30.797 1.00 0.00 H new ATOM 0 HA LYS A 75 4.095 -42.495 30.140 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.425 -41.513 28.640 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.293 -41.326 29.965 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.823 -39.731 31.073 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.997 -39.943 29.789 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.173 -38.924 29.312 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.539 -37.869 29.615 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.717 -38.987 27.651 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.211 -39.813 27.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.438 -37.812 25.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.123 -37.665 27.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.582 -36.865 27.396 1.00 0.00 H new ATOM 1213 N GLU A 76 4.022 -41.454 32.438 1.00 0.00 N ATOM 1214 CA GLU A 76 4.141 -41.106 33.837 1.00 0.00 C ATOM 1215 C GLU A 76 3.213 -39.930 34.149 1.00 0.00 C ATOM 1216 O GLU A 76 2.739 -39.257 33.230 1.00 0.00 O ATOM 1217 CB GLU A 76 5.591 -40.723 34.133 1.00 0.00 C ATOM 1218 CG GLU A 76 5.993 -39.380 33.555 1.00 0.00 C ATOM 1219 CD GLU A 76 7.476 -39.169 33.573 1.00 0.00 C ATOM 1220 OE1 GLU A 76 8.009 -38.722 34.610 1.00 0.00 O ATOM 1221 OE2 GLU A 76 8.124 -39.445 32.549 1.00 0.00 O ATOM 0 H GLU A 76 4.769 -41.079 31.853 1.00 0.00 H new ATOM 0 HA GLU A 76 3.858 -41.955 34.458 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.740 -40.704 35.213 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.251 -41.493 33.734 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.631 -39.306 32.529 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.509 -38.585 34.122 1.00 0.00 H new ATOM 1228 N PRO A 77 2.916 -39.679 35.434 1.00 0.00 N ATOM 1229 CA PRO A 77 2.074 -38.549 35.824 1.00 0.00 C ATOM 1230 C PRO A 77 2.706 -37.204 35.444 1.00 0.00 C ATOM 1231 O PRO A 77 3.919 -37.000 35.601 1.00 0.00 O ATOM 1232 CB PRO A 77 1.981 -38.685 37.354 1.00 0.00 C ATOM 1233 CG PRO A 77 3.160 -39.517 37.732 1.00 0.00 C ATOM 1234 CD PRO A 77 3.357 -40.469 36.599 1.00 0.00 C ATOM 0 HA PRO A 77 1.106 -38.565 35.323 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.012 -37.710 37.841 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.048 -39.162 37.653 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.045 -38.898 37.883 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.981 -40.050 38.666 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.398 -40.780 36.507 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.763 -41.375 36.723 1.00 0.00 H new ATOM 1242 N ASN A 78 1.888 -36.299 34.948 1.00 0.00 N ATOM 1243 CA ASN A 78 2.345 -34.967 34.583 1.00 0.00 C ATOM 1244 C ASN A 78 1.263 -33.950 34.876 1.00 0.00 C ATOM 1245 O ASN A 78 0.090 -34.291 34.933 1.00 0.00 O ATOM 1246 CB ASN A 78 2.728 -34.895 33.092 1.00 0.00 C ATOM 1247 CG ASN A 78 1.529 -34.937 32.143 1.00 0.00 C ATOM 1248 OD1 ASN A 78 0.523 -35.607 32.394 1.00 0.00 O ATOM 1249 ND2 ASN A 78 1.619 -34.192 31.065 1.00 0.00 N ATOM 0 H ASN A 78 0.894 -36.460 34.786 1.00 0.00 H new ATOM 0 HA ASN A 78 3.231 -34.743 35.177 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.288 -33.977 32.914 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.394 -35.725 32.857 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.843 -34.155 30.405 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.465 -33.651 30.888 1.00 0.00 H new ATOM 1256 N PHE A 79 1.648 -32.706 35.051 1.00 0.00 N ATOM 1257 CA PHE A 79 0.687 -31.662 35.340 1.00 0.00 C ATOM 1258 C PHE A 79 0.473 -30.788 34.124 1.00 0.00 C ATOM 1259 O PHE A 79 1.348 -30.001 33.742 1.00 0.00 O ATOM 1260 CB PHE A 79 1.146 -30.820 36.539 1.00 0.00 C ATOM 1261 CG PHE A 79 0.216 -29.684 36.901 1.00 0.00 C ATOM 1262 CD1 PHE A 79 -0.947 -29.918 37.618 1.00 0.00 C ATOM 1263 CD2 PHE A 79 0.520 -28.380 36.541 1.00 0.00 C ATOM 1264 CE1 PHE A 79 -1.787 -28.879 37.966 1.00 0.00 C ATOM 1265 CE2 PHE A 79 -0.319 -27.337 36.883 1.00 0.00 C ATOM 1266 CZ PHE A 79 -1.474 -27.588 37.598 1.00 0.00 C ATOM 0 H PHE A 79 2.617 -32.392 34.999 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.263 -32.131 35.597 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.255 -31.473 37.405 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.132 -30.410 36.322 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.200 -30.927 37.908 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.424 -28.177 35.986 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.689 -29.078 38.526 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.072 -26.327 36.592 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.131 -26.774 37.868 1.00 0.00 H new ATOM 1276 N GLU A 80 -0.684 -30.924 33.520 1.00 0.00 N ATOM 1277 CA GLU A 80 -1.030 -30.132 32.363 1.00 0.00 C ATOM 1278 C GLU A 80 -2.304 -29.376 32.605 1.00 0.00 C ATOM 1279 O GLU A 80 -3.357 -29.968 32.862 1.00 0.00 O ATOM 1280 CB GLU A 80 -1.137 -30.979 31.095 1.00 0.00 C ATOM 1281 CG GLU A 80 0.194 -31.414 30.544 1.00 0.00 C ATOM 1282 CD GLU A 80 0.068 -32.111 29.207 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -0.255 -33.326 29.181 1.00 0.00 O ATOM 1284 OE2 GLU A 80 0.273 -31.444 28.172 1.00 0.00 O ATOM 0 H GLU A 80 -1.407 -31.581 33.813 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.221 -29.419 32.205 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.738 -31.863 31.309 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.668 -30.409 30.332 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.841 -30.543 30.437 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.677 -32.084 31.255 1.00 0.00 H new ATOM 1291 N GLY A 81 -2.209 -28.071 32.530 1.00 0.00 N ATOM 1292 CA GLY A 81 -3.350 -27.239 32.766 1.00 0.00 C ATOM 1293 C GLY A 81 -3.720 -27.201 34.231 1.00 0.00 C ATOM 1294 O GLY A 81 -3.078 -26.512 35.025 1.00 0.00 O ATOM 0 H GLY A 81 -1.350 -27.567 32.307 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.142 -26.228 32.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.196 -27.608 32.186 1.00 0.00 H new ATOM 1298 N ARG A 82 -4.755 -27.935 34.593 1.00 0.00 N ATOM 1299 CA ARG A 82 -5.200 -28.000 35.978 1.00 0.00 C ATOM 1300 C ARG A 82 -5.307 -29.448 36.445 1.00 0.00 C ATOM 1301 O ARG A 82 -5.785 -29.720 37.545 1.00 0.00 O ATOM 1302 CB ARG A 82 -6.547 -27.304 36.123 1.00 0.00 C ATOM 1303 CG ARG A 82 -6.490 -25.815 35.848 1.00 0.00 C ATOM 1304 CD ARG A 82 -7.860 -25.183 35.938 1.00 0.00 C ATOM 1305 NE ARG A 82 -7.813 -23.752 35.648 1.00 0.00 N ATOM 1306 CZ ARG A 82 -8.878 -23.006 35.374 1.00 0.00 C ATOM 1307 NH1 ARG A 82 -10.086 -23.554 35.342 1.00 0.00 N ATOM 1308 NH2 ARG A 82 -8.731 -21.712 35.125 1.00 0.00 N ATOM 0 H ARG A 82 -5.307 -28.498 33.946 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.464 -27.492 36.601 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.261 -27.765 35.440 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.923 -27.465 37.133 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.820 -25.337 36.563 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.073 -25.643 34.856 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.535 -25.675 35.237 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.268 -25.339 36.937 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.901 -23.295 35.656 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.199 -24.550 35.528 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.902 -22.979 35.131 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.802 -21.291 35.144 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.547 -21.137 34.914 1.00 0.00 H new ATOM 1322 N TYR A 83 -4.855 -30.371 35.610 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.961 -31.792 35.916 1.00 0.00 C ATOM 1324 C TYR A 83 -3.613 -32.491 35.832 1.00 0.00 C ATOM 1325 O TYR A 83 -2.779 -32.161 34.981 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.921 -32.485 34.938 1.00 0.00 C ATOM 1327 CG TYR A 83 -7.353 -32.000 34.988 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -7.734 -30.851 34.315 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -8.325 -32.703 35.688 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -9.038 -30.411 34.339 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -9.639 -32.264 35.716 1.00 0.00 C ATOM 1332 CZ TYR A 83 -9.988 -31.118 35.038 1.00 0.00 C ATOM 1333 OH TYR A 83 -11.297 -30.673 35.055 1.00 0.00 O ATOM 0 H TYR A 83 -4.411 -30.163 34.715 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.339 -31.864 36.936 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.543 -32.348 33.925 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.910 -33.556 35.140 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.995 -30.290 33.762 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.053 -33.604 36.218 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.315 -29.511 33.809 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.385 -32.818 36.267 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.843 -31.284 35.592 1.00 0.00 H new ATOM 1343 N VAL A 84 -3.411 -33.446 36.716 1.00 0.00 N ATOM 1344 CA VAL A 84 -2.251 -34.313 36.657 1.00 0.00 C ATOM 1345 C VAL A 84 -2.711 -35.614 36.007 1.00 0.00 C ATOM 1346 O VAL A 84 -3.689 -36.217 36.455 1.00 0.00 O ATOM 1347 CB VAL A 84 -1.655 -34.586 38.071 1.00 0.00 C ATOM 1348 CG1 VAL A 84 -0.474 -35.530 38.006 1.00 0.00 C ATOM 1349 CG2 VAL A 84 -1.236 -33.288 38.734 1.00 0.00 C ATOM 0 H VAL A 84 -4.043 -33.643 37.492 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.457 -33.838 36.081 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.437 -35.058 38.666 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.085 -35.696 39.011 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.791 -36.481 37.578 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.307 -35.094 37.383 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.823 -33.500 39.720 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.481 -32.794 38.122 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.103 -32.636 38.837 1.00 0.00 H new ATOM 1359 N ASN A 85 -2.050 -36.021 34.940 1.00 0.00 N ATOM 1360 CA ASN A 85 -2.522 -37.161 34.164 1.00 0.00 C ATOM 1361 C ASN A 85 -1.504 -38.291 34.124 1.00 0.00 C ATOM 1362 O ASN A 85 -0.307 -38.055 34.097 1.00 0.00 O ATOM 1363 CB ASN A 85 -2.835 -36.724 32.727 1.00 0.00 C ATOM 1364 CG ASN A 85 -3.627 -35.425 32.650 1.00 0.00 C ATOM 1365 OD1 ASN A 85 -4.847 -35.410 32.770 1.00 0.00 O ATOM 1366 ND2 ASN A 85 -2.928 -34.324 32.425 1.00 0.00 N ATOM 0 H ASN A 85 -1.195 -35.588 34.591 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.422 -37.531 34.655 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.900 -36.604 32.180 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.397 -37.514 32.229 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.404 -33.425 32.346 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.914 -34.374 32.331 1.00 0.00 H new ATOM 1373 N MET A 86 -2.007 -39.515 34.134 1.00 0.00 N ATOM 1374 CA MET A 86 -1.188 -40.716 33.996 1.00 0.00 C ATOM 1375 C MET A 86 -1.975 -41.760 33.212 1.00 0.00 C ATOM 1376 O MET A 86 -3.149 -41.998 33.492 1.00 0.00 O ATOM 1377 CB MET A 86 -0.764 -41.252 35.378 1.00 0.00 C ATOM 1378 CG MET A 86 0.070 -42.539 35.348 1.00 0.00 C ATOM 1379 SD MET A 86 -0.924 -44.035 35.502 1.00 0.00 S ATOM 1380 CE MET A 86 -1.641 -43.808 37.137 1.00 0.00 C ATOM 0 H MET A 86 -3.003 -39.708 34.239 1.00 0.00 H new ATOM 0 HA MET A 86 -0.274 -40.477 33.453 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.192 -40.479 35.891 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.660 -41.432 35.971 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.631 -42.578 34.415 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.799 -42.510 36.158 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.882 -44.780 37.567 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.926 -43.294 37.780 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.550 -43.212 37.056 1.00 0.00 H new ATOM 1390 N LEU A 87 -1.348 -42.361 32.224 1.00 0.00 N ATOM 1391 CA LEU A 87 -2.036 -43.307 31.356 1.00 0.00 C ATOM 1392 C LEU A 87 -1.480 -44.714 31.497 1.00 0.00 C ATOM 1393 O LEU A 87 -0.268 -44.909 31.651 1.00 0.00 O ATOM 1394 CB LEU A 87 -1.955 -42.845 29.900 1.00 0.00 C ATOM 1395 CG LEU A 87 -2.707 -43.704 28.878 1.00 0.00 C ATOM 1396 CD1 LEU A 87 -4.184 -43.767 29.198 1.00 0.00 C ATOM 1397 CD2 LEU A 87 -2.502 -43.156 27.496 1.00 0.00 C ATOM 0 H LEU A 87 -0.364 -42.215 31.998 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.081 -43.337 31.665 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.339 -41.827 29.841 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.905 -42.807 29.610 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.307 -44.717 28.926 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.691 -44.383 28.456 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.324 -44.202 30.188 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.603 -42.761 29.182 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.040 -43.773 26.776 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.878 -42.134 27.450 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.439 -43.163 27.256 1.00 0.00 H new ATOM 1409 N VAL A 88 -2.373 -45.692 31.430 1.00 0.00 N ATOM 1410 CA VAL A 88 -1.990 -47.082 31.548 1.00 0.00 C ATOM 1411 C VAL A 88 -2.472 -47.892 30.350 1.00 0.00 C ATOM 1412 O VAL A 88 -3.397 -47.493 29.637 1.00 0.00 O ATOM 1413 CB VAL A 88 -2.523 -47.725 32.850 1.00 0.00 C ATOM 1414 CG1 VAL A 88 -1.963 -47.008 34.060 1.00 0.00 C ATOM 1415 CG2 VAL A 88 -4.044 -47.725 32.883 1.00 0.00 C ATOM 0 H VAL A 88 -3.373 -45.541 31.294 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.901 -47.098 31.578 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.190 -48.763 32.874 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.347 -47.472 34.968 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.875 -47.074 34.051 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.263 -45.960 34.033 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.388 -48.183 33.810 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.409 -46.699 32.828 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.426 -48.292 32.034 1.00 0.00 H new ATOM 1425 N THR A 89 -1.835 -49.016 30.134 1.00 0.00 N ATOM 1426 CA THR A 89 -2.153 -49.907 29.040 1.00 0.00 C ATOM 1427 C THR A 89 -2.266 -51.326 29.581 1.00 0.00 C ATOM 1428 O THR A 89 -1.543 -51.690 30.496 1.00 0.00 O ATOM 1429 CB THR A 89 -1.024 -49.857 27.983 1.00 0.00 C ATOM 1430 OG1 THR A 89 -0.754 -48.490 27.632 1.00 0.00 O ATOM 1431 CG2 THR A 89 -1.378 -50.636 26.719 1.00 0.00 C ATOM 0 H THR A 89 -1.069 -49.345 30.721 1.00 0.00 H new ATOM 0 HA THR A 89 -3.093 -49.603 28.580 1.00 0.00 H new ATOM 0 HB THR A 89 -0.143 -50.322 28.426 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.038 -48.459 26.964 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.554 -50.570 26.008 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.555 -51.681 26.973 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.278 -50.214 26.271 1.00 0.00 H new ATOM 1439 N PRO A 90 -3.184 -52.131 29.060 1.00 0.00 N ATOM 1440 CA PRO A 90 -3.324 -53.524 29.478 1.00 0.00 C ATOM 1441 C PRO A 90 -2.117 -54.349 29.034 1.00 0.00 C ATOM 1442 O PRO A 90 -1.440 -53.996 28.057 1.00 0.00 O ATOM 1443 CB PRO A 90 -4.595 -53.966 28.751 1.00 0.00 C ATOM 1444 CG PRO A 90 -4.616 -53.116 27.542 1.00 0.00 C ATOM 1445 CD PRO A 90 -4.157 -51.776 28.019 1.00 0.00 C ATOM 0 HA PRO A 90 -3.380 -53.652 30.559 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.563 -55.025 28.496 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.482 -53.812 29.365 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.956 -53.509 26.769 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.616 -53.063 27.111 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.702 -51.193 27.218 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.980 -51.182 28.417 1.00 0.00 H new ATOM 1453 N LYS A 91 -1.838 -55.424 29.755 1.00 0.00 N ATOM 1454 CA LYS A 91 -0.696 -56.278 29.446 1.00 0.00 C ATOM 1455 C LYS A 91 -0.836 -56.974 28.095 1.00 0.00 C ATOM 1456 O LYS A 91 -1.326 -58.106 28.019 1.00 0.00 O ATOM 1457 CB LYS A 91 -0.514 -57.346 30.510 1.00 0.00 C ATOM 1458 CG LYS A 91 0.072 -56.869 31.810 1.00 0.00 C ATOM 1459 CD LYS A 91 0.163 -58.024 32.781 1.00 0.00 C ATOM 1460 CE LYS A 91 0.851 -57.636 34.066 1.00 0.00 C ATOM 1461 NZ LYS A 91 0.857 -58.762 35.031 1.00 0.00 N ATOM 0 H LYS A 91 -2.386 -55.728 30.560 1.00 0.00 H new ATOM 0 HA LYS A 91 0.171 -55.618 29.415 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.483 -57.801 30.713 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.128 -58.130 30.108 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.062 -56.445 31.640 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.547 -56.076 32.230 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.840 -58.389 33.004 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.705 -58.847 32.315 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.875 -57.329 33.855 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.345 -56.777 34.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.998 -58.394 35.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.052 -59.266 34.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.629 -59.417 34.795 1.00 0.00 H new