USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot 174:sc= 1.57! USER MOD Set 1.2: A 61 THR OG1 : rot 64:sc= 1.39! USER MOD Set 2.1: A 9 GLN : amide:sc= -4.28! C(o=-4.5!,f=-9.8!) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.183 K(o=-4.5,f=-6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 26 SER OG : rot 160:sc= -0.0388 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 40:sc= 0.0279 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 48 THR OG1 : rot 116:sc= -1.09 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0748) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -8.4! C(o=-8.4!,f=-9.2!) USER MOD Single : A 70 HIS : no HE2:sc= -5.09! C(o=-5.1!,f=-5!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0914 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.099 -19.643 -0.288 1.00 0.00 N ATOM 67 CA ASP A 8 1.446 -19.118 1.021 1.00 0.00 C ATOM 68 C ASP A 8 1.458 -17.589 0.965 1.00 0.00 C ATOM 69 O ASP A 8 0.937 -16.928 1.863 1.00 0.00 O ATOM 70 CB ASP A 8 2.838 -19.585 1.451 1.00 0.00 C ATOM 71 CG ASP A 8 3.093 -21.086 1.297 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.261 -21.737 0.627 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.112 -21.549 1.853 1.00 0.00 O ATOM 0 HA ASP A 8 0.707 -19.480 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.583 -19.044 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.990 -19.311 2.495 1.00 0.00 H new ATOM 78 N GLN A 9 2.056 -17.071 -0.097 1.00 0.00 N ATOM 79 CA GLN A 9 2.142 -15.633 -0.282 1.00 0.00 C ATOM 80 C GLN A 9 0.936 -15.127 -1.076 1.00 0.00 C ATOM 81 O GLN A 9 0.547 -13.967 -0.949 1.00 0.00 O ATOM 82 CB GLN A 9 3.453 -15.245 -0.969 1.00 0.00 C ATOM 83 CG GLN A 9 4.632 -16.019 -0.377 1.00 0.00 C ATOM 84 CD GLN A 9 5.066 -15.418 0.962 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.331 -14.696 1.615 1.00 0.00 O ATOM 86 NE2 GLN A 9 6.299 -15.754 1.332 1.00 0.00 N ATOM 0 H GLN A 9 2.486 -17.622 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 9 2.131 -15.159 0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.381 -15.446 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.623 -14.174 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.353 -17.063 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.469 -16.003 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.862 -16.363 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.682 -15.403 2.210 1.00 0.00 H new ATOM 95 N LYS A 10 0.378 -16.022 -1.878 1.00 0.00 N ATOM 96 CA LYS A 10 -0.776 -15.680 -2.692 1.00 0.00 C ATOM 97 C LYS A 10 -1.944 -15.300 -1.780 1.00 0.00 C ATOM 98 O LYS A 10 -2.736 -14.420 -2.114 1.00 0.00 O ATOM 99 CB LYS A 10 -1.100 -16.816 -3.665 1.00 0.00 C ATOM 100 CG LYS A 10 -1.372 -16.274 -5.069 1.00 0.00 C ATOM 101 CD LYS A 10 -1.207 -17.371 -6.123 1.00 0.00 C ATOM 102 CE LYS A 10 -2.257 -17.233 -7.227 1.00 0.00 C ATOM 103 NZ LYS A 10 -2.753 -18.565 -7.640 1.00 0.00 N ATOM 0 H LYS A 10 0.703 -16.983 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.560 -14.810 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.268 -17.520 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.970 -17.367 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.383 -15.869 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.689 -15.453 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.209 -17.316 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.296 -18.350 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.088 -16.623 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.826 -16.717 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.465 -18.453 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.960 -19.135 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.183 -19.044 -6.823 1.00 0.00 H new ATOM 117 N LYS A 11 -2.015 -15.982 -0.647 1.00 0.00 N ATOM 118 CA LYS A 11 -3.073 -15.727 0.316 1.00 0.00 C ATOM 119 C LYS A 11 -2.743 -14.458 1.105 1.00 0.00 C ATOM 120 O LYS A 11 -3.626 -13.646 1.379 1.00 0.00 O ATOM 121 CB LYS A 11 -3.304 -16.956 1.197 1.00 0.00 C ATOM 122 CG LYS A 11 -4.135 -18.009 0.462 1.00 0.00 C ATOM 123 CD LYS A 11 -3.700 -19.423 0.854 1.00 0.00 C ATOM 124 CE LYS A 11 -3.627 -20.334 -0.372 1.00 0.00 C ATOM 125 NZ LYS A 11 -4.153 -21.680 -0.050 1.00 0.00 N ATOM 0 H LYS A 11 -1.357 -16.712 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.019 -15.548 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.345 -17.384 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.814 -16.660 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.191 -17.872 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.026 -17.877 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.726 -19.385 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.403 -19.836 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.201 -19.899 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.595 -20.413 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.096 -22.286 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.588 -22.099 0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.145 -21.602 0.254 1.00 0.00 H new ATOM 139 N PHE A 12 -1.470 -14.326 1.448 1.00 0.00 N ATOM 140 CA PHE A 12 -1.013 -13.170 2.200 1.00 0.00 C ATOM 141 C PHE A 12 -1.168 -11.887 1.381 1.00 0.00 C ATOM 142 O PHE A 12 -1.554 -10.848 1.914 1.00 0.00 O ATOM 143 CB PHE A 12 0.470 -13.391 2.503 1.00 0.00 C ATOM 144 CG PHE A 12 1.209 -12.128 2.950 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.460 -11.135 2.057 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.614 -11.999 4.242 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.146 -9.963 2.472 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.300 -10.827 4.658 1.00 0.00 C ATOM 149 CZ PHE A 12 2.551 -9.834 3.764 1.00 0.00 C ATOM 0 H PHE A 12 -0.740 -15.001 1.219 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.603 -13.062 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.562 -14.148 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.957 -13.788 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.138 -11.237 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.414 -12.788 4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.346 -9.174 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.622 -10.725 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.072 -8.942 4.080 1.00 0.00 H new ATOM 159 N ILE A 13 -0.859 -12.001 0.097 1.00 0.00 N ATOM 160 CA ILE A 13 -0.959 -10.864 -0.801 1.00 0.00 C ATOM 161 C ILE A 13 -2.435 -10.535 -1.039 1.00 0.00 C ATOM 162 O ILE A 13 -2.842 -9.380 -0.931 1.00 0.00 O ATOM 163 CB ILE A 13 -0.172 -11.125 -2.087 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.173 -9.813 -2.794 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.925 -12.090 -3.004 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.331 -9.100 -2.094 1.00 0.00 C ATOM 0 H ILE A 13 -0.539 -12.864 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.504 -9.982 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 13 0.770 -11.604 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.439 -10.014 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.702 -9.163 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.344 -12.258 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.076 -13.038 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.892 -11.662 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.556 -8.170 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.052 -8.878 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.212 -9.742 -2.101 1.00 0.00 H new ATOM 178 N ASP A 14 -3.194 -11.573 -1.358 1.00 0.00 N ATOM 179 CA ASP A 14 -4.616 -11.409 -1.612 1.00 0.00 C ATOM 180 C ASP A 14 -5.267 -10.716 -0.414 1.00 0.00 C ATOM 181 O ASP A 14 -6.079 -9.807 -0.584 1.00 0.00 O ATOM 182 CB ASP A 14 -5.300 -12.764 -1.804 1.00 0.00 C ATOM 183 CG ASP A 14 -6.769 -12.692 -2.227 1.00 0.00 C ATOM 184 OD1 ASP A 14 -7.027 -12.064 -3.277 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.600 -13.267 -1.492 1.00 0.00 O ATOM 0 H ASP A 14 -2.852 -12.530 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.731 -10.815 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.748 -13.329 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.233 -13.324 -0.871 1.00 0.00 H new ATOM 190 N GLN A 15 -4.887 -11.170 0.771 1.00 0.00 N ATOM 191 CA GLN A 15 -5.424 -10.605 1.997 1.00 0.00 C ATOM 192 C GLN A 15 -5.064 -9.121 2.099 1.00 0.00 C ATOM 193 O GLN A 15 -5.863 -8.316 2.574 1.00 0.00 O ATOM 194 CB GLN A 15 -4.926 -11.376 3.220 1.00 0.00 C ATOM 195 CG GLN A 15 -3.896 -10.559 4.002 1.00 0.00 C ATOM 196 CD GLN A 15 -3.409 -11.324 5.234 1.00 0.00 C ATOM 197 OE1 GLN A 15 -3.891 -12.396 5.562 1.00 0.00 O ATOM 198 NE2 GLN A 15 -2.430 -10.715 5.897 1.00 0.00 N ATOM 0 H GLN A 15 -4.213 -11.923 0.908 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.510 -10.694 1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.768 -11.621 3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.482 -12.320 2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.049 -10.323 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.337 -9.611 4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.072 -9.818 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.037 -11.145 6.734 1.00 0.00 H new ATOM 207 N VAL A 16 -3.859 -8.805 1.647 1.00 0.00 N ATOM 208 CA VAL A 16 -3.383 -7.433 1.682 1.00 0.00 C ATOM 209 C VAL A 16 -4.187 -6.593 0.688 1.00 0.00 C ATOM 210 O VAL A 16 -4.707 -5.536 1.040 1.00 0.00 O ATOM 211 CB VAL A 16 -1.877 -7.395 1.416 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.369 -5.953 1.346 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.113 -8.194 2.474 1.00 0.00 C ATOM 0 H VAL A 16 -3.198 -9.476 1.255 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.536 -7.001 2.671 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.696 -7.862 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.296 -5.954 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.880 -5.426 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.569 -5.450 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.045 -8.151 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.304 -7.769 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.445 -9.232 2.456 1.00 0.00 H new ATOM 223 N ILE A 17 -4.264 -7.096 -0.536 1.00 0.00 N ATOM 224 CA ILE A 17 -4.996 -6.405 -1.584 1.00 0.00 C ATOM 225 C ILE A 17 -6.367 -5.985 -1.051 1.00 0.00 C ATOM 226 O ILE A 17 -6.763 -4.829 -1.189 1.00 0.00 O ATOM 227 CB ILE A 17 -5.064 -7.266 -2.847 1.00 0.00 C ATOM 228 CG1 ILE A 17 -3.707 -7.314 -3.552 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.178 -6.785 -3.779 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.349 -8.745 -3.957 1.00 0.00 C ATOM 0 H ILE A 17 -3.832 -7.973 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.474 -5.493 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.309 -8.286 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.730 -6.677 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.936 -6.916 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.205 -7.414 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.136 -6.846 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.988 -5.752 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.380 -8.750 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.303 -9.374 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.109 -9.132 -4.636 1.00 0.00 H new ATOM 242 N GLU A 18 -7.054 -6.948 -0.454 1.00 0.00 N ATOM 243 CA GLU A 18 -8.373 -6.693 0.101 1.00 0.00 C ATOM 244 C GLU A 18 -8.371 -5.385 0.896 1.00 0.00 C ATOM 245 O GLU A 18 -9.263 -4.555 0.733 1.00 0.00 O ATOM 246 CB GLU A 18 -8.837 -7.862 0.971 1.00 0.00 C ATOM 247 CG GLU A 18 -9.417 -8.988 0.112 1.00 0.00 C ATOM 248 CD GLU A 18 -10.799 -8.612 -0.425 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.485 -7.831 0.269 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.140 -9.115 -1.518 1.00 0.00 O ATOM 0 H GLU A 18 -6.722 -7.906 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.079 -6.593 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.998 -8.241 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.589 -7.516 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.745 -9.199 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.489 -9.901 0.703 1.00 0.00 H new ATOM 257 N LYS A 19 -7.358 -5.244 1.738 1.00 0.00 N ATOM 258 CA LYS A 19 -7.228 -4.051 2.558 1.00 0.00 C ATOM 259 C LYS A 19 -7.060 -2.830 1.652 1.00 0.00 C ATOM 260 O LYS A 19 -7.534 -1.742 1.976 1.00 0.00 O ATOM 261 CB LYS A 19 -6.098 -4.222 3.576 1.00 0.00 C ATOM 262 CG LYS A 19 -6.345 -5.438 4.470 1.00 0.00 C ATOM 263 CD LYS A 19 -5.024 -6.090 4.885 1.00 0.00 C ATOM 264 CE LYS A 19 -5.019 -6.413 6.381 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.674 -7.834 6.604 1.00 0.00 N ATOM 0 H LYS A 19 -6.620 -5.935 1.870 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.133 -3.891 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.148 -4.337 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.018 -3.325 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.900 -5.135 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.963 -6.164 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.869 -7.004 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.195 -5.422 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.301 -5.774 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.999 -6.199 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.675 -8.036 7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.374 -8.440 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.729 -8.027 6.214 1.00 0.00 H new ATOM 279 N ILE A 20 -6.385 -3.051 0.534 1.00 0.00 N ATOM 280 CA ILE A 20 -6.149 -1.982 -0.422 1.00 0.00 C ATOM 281 C ILE A 20 -7.463 -1.629 -1.121 1.00 0.00 C ATOM 282 O ILE A 20 -7.933 -0.496 -1.032 1.00 0.00 O ATOM 283 CB ILE A 20 -5.023 -2.363 -1.385 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.666 -2.342 -0.678 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.036 -1.468 -2.626 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.609 -3.084 -1.499 1.00 0.00 C ATOM 0 H ILE A 20 -5.994 -3.955 0.268 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.808 -1.082 0.090 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.194 -3.385 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.351 -1.311 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.757 -2.803 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.226 -1.760 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.989 -1.577 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.902 -0.429 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.654 -3.054 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.916 -4.121 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.503 -2.606 -2.473 1.00 0.00 H new ATOM 298 N GLU A 21 -8.019 -2.621 -1.801 1.00 0.00 N ATOM 299 CA GLU A 21 -9.270 -2.429 -2.515 1.00 0.00 C ATOM 300 C GLU A 21 -10.208 -1.527 -1.710 1.00 0.00 C ATOM 301 O GLU A 21 -10.729 -0.543 -2.234 1.00 0.00 O ATOM 302 CB GLU A 21 -9.935 -3.772 -2.826 1.00 0.00 C ATOM 303 CG GLU A 21 -9.371 -4.378 -4.113 1.00 0.00 C ATOM 304 CD GLU A 21 -10.434 -4.419 -5.212 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.259 -3.480 -5.239 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.399 -5.390 -5.999 1.00 0.00 O ATOM 0 H GLU A 21 -7.626 -3.560 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.052 -1.939 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.777 -4.461 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.012 -3.634 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.516 -3.792 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.008 -5.387 -3.916 1.00 0.00 H new ATOM 313 N ASP A 22 -10.394 -1.894 -0.451 1.00 0.00 N ATOM 314 CA ASP A 22 -11.260 -1.130 0.431 1.00 0.00 C ATOM 315 C ASP A 22 -10.756 0.313 0.509 1.00 0.00 C ATOM 316 O ASP A 22 -11.527 1.254 0.328 1.00 0.00 O ATOM 317 CB ASP A 22 -11.254 -1.709 1.847 1.00 0.00 C ATOM 318 CG ASP A 22 -12.435 -1.288 2.723 1.00 0.00 C ATOM 319 OD1 ASP A 22 -12.354 -0.175 3.288 1.00 0.00 O ATOM 320 OD2 ASP A 22 -13.392 -2.087 2.809 1.00 0.00 O ATOM 0 H ASP A 22 -9.960 -2.710 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.272 -1.172 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.242 -2.797 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.330 -1.410 2.341 1.00 0.00 H new ATOM 325 N PHE A 23 -9.465 0.441 0.778 1.00 0.00 N ATOM 326 CA PHE A 23 -8.849 1.753 0.882 1.00 0.00 C ATOM 327 C PHE A 23 -9.035 2.550 -0.411 1.00 0.00 C ATOM 328 O PHE A 23 -9.123 3.777 -0.381 1.00 0.00 O ATOM 329 CB PHE A 23 -7.354 1.528 1.118 1.00 0.00 C ATOM 330 CG PHE A 23 -6.462 2.634 0.551 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.619 3.918 0.973 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.511 2.334 -0.374 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.790 4.944 0.447 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.682 3.360 -0.899 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.839 4.644 -0.478 1.00 0.00 C ATOM 0 H PHE A 23 -8.829 -0.342 0.927 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.309 2.317 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.174 1.444 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.065 0.577 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.374 4.157 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.386 1.315 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.915 5.963 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.926 3.121 -1.633 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.209 5.425 -0.878 1.00 0.00 H new ATOM 345 N LEU A 24 -9.089 1.821 -1.516 1.00 0.00 N ATOM 346 CA LEU A 24 -9.263 2.444 -2.816 1.00 0.00 C ATOM 347 C LEU A 24 -10.730 2.841 -2.995 1.00 0.00 C ATOM 348 O LEU A 24 -11.030 3.864 -3.608 1.00 0.00 O ATOM 349 CB LEU A 24 -8.734 1.531 -3.924 1.00 0.00 C ATOM 350 CG LEU A 24 -7.301 1.023 -3.746 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.031 -0.182 -4.651 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.289 2.147 -3.972 1.00 0.00 C ATOM 0 H LEU A 24 -9.015 0.804 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.674 3.359 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.397 0.669 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.793 2.069 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.183 0.686 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.006 -0.524 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.721 -0.987 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.173 0.106 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.279 1.759 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.398 2.537 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.468 2.947 -3.254 1.00 0.00 H new ATOM 364 N GLN A 25 -11.605 2.009 -2.449 1.00 0.00 N ATOM 365 CA GLN A 25 -13.033 2.260 -2.541 1.00 0.00 C ATOM 366 C GLN A 25 -13.381 3.597 -1.882 1.00 0.00 C ATOM 367 O GLN A 25 -14.030 4.444 -2.494 1.00 0.00 O ATOM 368 CB GLN A 25 -13.833 1.116 -1.914 1.00 0.00 C ATOM 369 CG GLN A 25 -13.875 -0.098 -2.845 1.00 0.00 C ATOM 370 CD GLN A 25 -15.153 -0.099 -3.686 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.606 0.923 -4.175 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.707 -1.299 -3.827 1.00 0.00 N ATOM 0 H GLN A 25 -11.353 1.161 -1.942 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.305 2.315 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.385 0.833 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.848 1.451 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.004 -0.089 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.822 -1.014 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.276 -2.114 -3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.563 -1.405 -4.371 1.00 0.00 H new ATOM 381 N SER A 26 -12.933 3.744 -0.644 1.00 0.00 N ATOM 382 CA SER A 26 -13.188 4.963 0.104 1.00 0.00 C ATOM 383 C SER A 26 -12.642 6.171 -0.661 1.00 0.00 C ATOM 384 O SER A 26 -11.641 6.061 -1.367 1.00 0.00 O ATOM 385 CB SER A 26 -12.567 4.893 1.500 1.00 0.00 C ATOM 386 OG SER A 26 -13.379 5.534 2.479 1.00 0.00 O ATOM 0 H SER A 26 -12.395 3.039 -0.140 1.00 0.00 H new ATOM 0 HA SER A 26 -14.266 5.073 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.419 3.850 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.583 5.361 1.483 1.00 0.00 H new ATOM 0 HG SER A 26 -13.137 5.206 3.370 1.00 0.00 H new ATOM 392 N GLU A 27 -13.323 7.295 -0.493 1.00 0.00 N ATOM 393 CA GLU A 27 -12.918 8.521 -1.159 1.00 0.00 C ATOM 394 C GLU A 27 -11.986 9.332 -0.256 1.00 0.00 C ATOM 395 O GLU A 27 -10.823 9.547 -0.592 1.00 0.00 O ATOM 396 CB GLU A 27 -14.136 9.348 -1.574 1.00 0.00 C ATOM 397 CG GLU A 27 -14.303 9.354 -3.095 1.00 0.00 C ATOM 398 CD GLU A 27 -15.693 9.855 -3.492 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.613 9.009 -3.525 1.00 0.00 O ATOM 400 OE2 GLU A 27 -15.804 11.072 -3.754 1.00 0.00 O ATOM 0 H GLU A 27 -14.152 7.382 0.094 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.374 8.256 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.033 8.940 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.026 10.370 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.541 9.990 -3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.150 8.348 -3.485 1.00 0.00 H new ATOM 407 N GLU A 28 -12.533 9.761 0.872 1.00 0.00 N ATOM 408 CA GLU A 28 -11.766 10.544 1.826 1.00 0.00 C ATOM 409 C GLU A 28 -10.363 9.955 1.988 1.00 0.00 C ATOM 410 O GLU A 28 -9.374 10.687 1.980 1.00 0.00 O ATOM 411 CB GLU A 28 -12.485 10.625 3.173 1.00 0.00 C ATOM 412 CG GLU A 28 -12.753 9.228 3.737 1.00 0.00 C ATOM 413 CD GLU A 28 -13.932 9.247 4.713 1.00 0.00 C ATOM 414 OE1 GLU A 28 -15.079 9.272 4.216 1.00 0.00 O ATOM 415 OE2 GLU A 28 -13.660 9.236 5.932 1.00 0.00 O ATOM 0 H GLU A 28 -13.499 9.581 1.147 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.671 11.559 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.881 11.196 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.427 11.160 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.963 8.537 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.862 8.860 4.245 1.00 0.00 H new ATOM 422 N LYS A 29 -10.320 8.639 2.132 1.00 0.00 N ATOM 423 CA LYS A 29 -9.055 7.944 2.296 1.00 0.00 C ATOM 424 C LYS A 29 -8.023 8.539 1.335 1.00 0.00 C ATOM 425 O LYS A 29 -8.320 8.766 0.163 1.00 0.00 O ATOM 426 CB LYS A 29 -9.247 6.435 2.134 1.00 0.00 C ATOM 427 CG LYS A 29 -10.021 5.851 3.318 1.00 0.00 C ATOM 428 CD LYS A 29 -9.897 4.326 3.355 1.00 0.00 C ATOM 429 CE LYS A 29 -10.132 3.791 4.769 1.00 0.00 C ATOM 430 NZ LYS A 29 -10.168 2.312 4.764 1.00 0.00 N ATOM 0 H LYS A 29 -11.142 8.035 2.138 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.671 8.086 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.784 6.230 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.275 5.948 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.642 6.273 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.071 6.132 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.619 3.882 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.906 4.030 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.340 4.139 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.071 4.182 5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.328 1.965 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.939 1.986 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.262 1.944 4.410 1.00 0.00 H new ATOM 444 N ARG A 30 -6.833 8.775 1.868 1.00 0.00 N ATOM 445 CA ARG A 30 -5.756 9.339 1.072 1.00 0.00 C ATOM 446 C ARG A 30 -4.583 8.360 0.997 1.00 0.00 C ATOM 447 O ARG A 30 -3.934 8.241 -0.041 1.00 0.00 O ATOM 448 CB ARG A 30 -5.269 10.663 1.664 1.00 0.00 C ATOM 449 CG ARG A 30 -6.171 11.821 1.233 1.00 0.00 C ATOM 450 CD ARG A 30 -5.833 12.280 -0.187 1.00 0.00 C ATOM 451 NE ARG A 30 -5.802 13.758 -0.248 1.00 0.00 N ATOM 452 CZ ARG A 30 -4.849 14.513 0.317 1.00 0.00 C ATOM 453 NH1 ARG A 30 -3.844 13.933 0.987 1.00 0.00 N ATOM 454 NH2 ARG A 30 -4.901 15.848 0.211 1.00 0.00 N ATOM 0 H ARG A 30 -6.591 8.586 2.841 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.145 9.523 0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.253 10.595 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.246 10.855 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.215 11.511 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.055 12.654 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.867 11.875 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.573 11.894 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.552 14.232 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.804 12.917 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.119 14.508 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.666 16.290 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.176 16.422 0.641 1.00 0.00 H new ATOM 468 N SER A 31 -4.346 7.683 2.111 1.00 0.00 N ATOM 469 CA SER A 31 -3.262 6.718 2.184 1.00 0.00 C ATOM 470 C SER A 31 -3.657 5.556 3.098 1.00 0.00 C ATOM 471 O SER A 31 -4.501 5.714 3.979 1.00 0.00 O ATOM 472 CB SER A 31 -1.974 7.373 2.686 1.00 0.00 C ATOM 473 OG SER A 31 -2.205 8.684 3.195 1.00 0.00 O ATOM 0 H SER A 31 -4.886 7.784 2.970 1.00 0.00 H new ATOM 0 HA SER A 31 -3.076 6.336 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.533 6.754 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.251 7.422 1.872 1.00 0.00 H new ATOM 0 HG SER A 31 -1.359 9.068 3.507 1.00 0.00 H new ATOM 479 N LEU A 32 -3.028 4.415 2.857 1.00 0.00 N ATOM 480 CA LEU A 32 -3.303 3.227 3.648 1.00 0.00 C ATOM 481 C LEU A 32 -2.024 2.790 4.365 1.00 0.00 C ATOM 482 O LEU A 32 -0.920 3.094 3.915 1.00 0.00 O ATOM 483 CB LEU A 32 -3.923 2.134 2.775 1.00 0.00 C ATOM 484 CG LEU A 32 -4.362 0.863 3.503 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.650 1.100 4.293 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.494 -0.310 2.529 1.00 0.00 C ATOM 0 H LEU A 32 -2.329 4.288 2.125 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.042 3.445 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.789 2.553 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.201 1.858 2.006 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.588 0.598 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.940 0.180 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.485 1.885 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.444 1.404 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.807 -1.201 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.237 -0.069 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.532 -0.496 2.051 1.00 0.00 H new ATOM 498 N GLU A 33 -2.215 2.083 5.469 1.00 0.00 N ATOM 499 CA GLU A 33 -1.091 1.601 6.253 1.00 0.00 C ATOM 500 C GLU A 33 -1.168 0.081 6.413 1.00 0.00 C ATOM 501 O GLU A 33 -2.169 -0.446 6.896 1.00 0.00 O ATOM 502 CB GLU A 33 -1.035 2.293 7.616 1.00 0.00 C ATOM 503 CG GLU A 33 -1.011 3.815 7.457 1.00 0.00 C ATOM 504 CD GLU A 33 -1.059 4.509 8.820 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.882 4.069 9.652 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.273 5.464 8.999 1.00 0.00 O ATOM 0 H GLU A 33 -3.132 1.832 5.839 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.172 1.845 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.899 2.000 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.147 1.966 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.109 4.114 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.859 4.135 6.852 1.00 0.00 H new ATOM 513 N LEU A 34 -0.098 -0.581 5.997 1.00 0.00 N ATOM 514 CA LEU A 34 -0.032 -2.030 6.088 1.00 0.00 C ATOM 515 C LEU A 34 0.853 -2.422 7.273 1.00 0.00 C ATOM 516 O LEU A 34 1.561 -1.583 7.828 1.00 0.00 O ATOM 517 CB LEU A 34 0.422 -2.630 4.756 1.00 0.00 C ATOM 518 CG LEU A 34 -0.651 -2.742 3.671 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.066 -3.316 2.379 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.851 -3.551 4.167 1.00 0.00 C ATOM 0 H LEU A 34 0.730 -0.141 5.596 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.022 -2.446 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.241 -2.025 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.823 -3.625 4.946 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.012 -1.739 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.849 -3.385 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.729 -2.663 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.340 -4.309 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.599 -3.615 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.525 -4.555 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.285 -3.061 5.038 1.00 0.00 H new ATOM 532 N ASP A 35 0.783 -3.697 7.626 1.00 0.00 N ATOM 533 CA ASP A 35 1.570 -4.211 8.734 1.00 0.00 C ATOM 534 C ASP A 35 3.054 -4.165 8.366 1.00 0.00 C ATOM 535 O ASP A 35 3.410 -4.268 7.193 1.00 0.00 O ATOM 536 CB ASP A 35 1.204 -5.665 9.042 1.00 0.00 C ATOM 537 CG ASP A 35 1.334 -6.628 7.861 1.00 0.00 C ATOM 538 OD1 ASP A 35 1.319 -6.128 6.716 1.00 0.00 O ATOM 539 OD2 ASP A 35 1.445 -7.844 8.130 1.00 0.00 O ATOM 0 H ASP A 35 0.193 -4.389 7.164 1.00 0.00 H new ATOM 0 HA ASP A 35 1.363 -3.594 9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.840 -6.020 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.177 -5.696 9.406 1.00 0.00 H new ATOM 544 N PRO A 36 3.902 -4.007 9.417 1.00 0.00 N ATOM 545 CA PRO A 36 5.340 -3.946 9.215 1.00 0.00 C ATOM 546 C PRO A 36 5.911 -5.334 8.919 1.00 0.00 C ATOM 547 O PRO A 36 6.105 -6.137 9.831 1.00 0.00 O ATOM 548 CB PRO A 36 5.891 -3.337 10.495 1.00 0.00 C ATOM 549 CG PRO A 36 4.802 -3.509 11.541 1.00 0.00 C ATOM 550 CD PRO A 36 3.517 -3.881 10.819 1.00 0.00 C ATOM 0 HA PRO A 36 5.619 -3.343 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.810 -3.837 10.802 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.134 -2.284 10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.077 -4.285 12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.668 -2.588 12.108 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.104 -4.814 11.202 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.752 -3.116 10.952 1.00 0.00 H new ATOM 558 N CYS A 37 6.165 -5.574 7.641 1.00 0.00 N ATOM 559 CA CYS A 37 6.710 -6.852 7.214 1.00 0.00 C ATOM 560 C CYS A 37 8.163 -6.936 7.687 1.00 0.00 C ATOM 561 O CYS A 37 8.676 -6.000 8.298 1.00 0.00 O ATOM 562 CB CYS A 37 6.591 -7.039 5.700 1.00 0.00 C ATOM 563 SG CYS A 37 4.839 -6.901 5.188 1.00 0.00 S ATOM 0 H CYS A 37 6.004 -4.906 6.888 1.00 0.00 H new ATOM 0 HA CYS A 37 6.136 -7.664 7.661 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.189 -6.288 5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.987 -8.013 5.413 1.00 0.00 H new ATOM 0 HG CYS A 37 4.263 -5.950 5.862 1.00 0.00 H new ATOM 569 N THR A 38 8.784 -8.067 7.386 1.00 0.00 N ATOM 570 CA THR A 38 10.168 -8.286 7.773 1.00 0.00 C ATOM 571 C THR A 38 11.110 -7.859 6.646 1.00 0.00 C ATOM 572 O THR A 38 11.997 -7.032 6.854 1.00 0.00 O ATOM 573 CB THR A 38 10.321 -9.756 8.168 1.00 0.00 C ATOM 574 OG1 THR A 38 10.298 -10.454 6.926 1.00 0.00 O ATOM 575 CG2 THR A 38 9.099 -10.291 8.919 1.00 0.00 C ATOM 0 H THR A 38 8.355 -8.841 6.879 1.00 0.00 H new ATOM 0 HA THR A 38 10.441 -7.673 8.632 1.00 0.00 H new ATOM 0 HB THR A 38 11.209 -9.874 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.393 -11.416 7.089 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.259 -11.338 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.950 -9.712 9.831 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.216 -10.204 8.286 1.00 0.00 H new ATOM 583 N GLY A 39 10.886 -8.441 5.477 1.00 0.00 N ATOM 584 CA GLY A 39 11.705 -8.131 4.318 1.00 0.00 C ATOM 585 C GLY A 39 11.206 -8.878 3.079 1.00 0.00 C ATOM 586 O GLY A 39 10.994 -8.274 2.029 1.00 0.00 O ATOM 0 H GLY A 39 10.149 -9.126 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.687 -7.057 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.742 -8.402 4.518 1.00 0.00 H new ATOM 590 N PHE A 40 11.034 -10.181 3.243 1.00 0.00 N ATOM 591 CA PHE A 40 10.564 -11.017 2.151 1.00 0.00 C ATOM 592 C PHE A 40 9.132 -10.651 1.757 1.00 0.00 C ATOM 593 O PHE A 40 8.888 -10.197 0.640 1.00 0.00 O ATOM 594 CB PHE A 40 10.589 -12.463 2.652 1.00 0.00 C ATOM 595 CG PHE A 40 10.620 -13.508 1.535 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.616 -13.485 0.610 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.651 -14.460 1.468 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.645 -14.455 -0.427 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.679 -15.430 0.431 1.00 0.00 C ATOM 600 CZ PHE A 40 10.676 -15.407 -0.494 1.00 0.00 C ATOM 0 H PHE A 40 11.212 -10.679 4.115 1.00 0.00 H new ATOM 0 HA PHE A 40 11.199 -10.878 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.463 -12.601 3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.711 -12.637 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.385 -12.729 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.860 -14.478 2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.436 -14.437 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.909 -16.185 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.698 -16.145 -1.282 1.00 0.00 H new ATOM 610 N GLN A 41 8.221 -10.863 2.696 1.00 0.00 N ATOM 611 CA GLN A 41 6.820 -10.561 2.461 1.00 0.00 C ATOM 612 C GLN A 41 6.664 -9.128 1.947 1.00 0.00 C ATOM 613 O GLN A 41 5.699 -8.816 1.251 1.00 0.00 O ATOM 614 CB GLN A 41 5.991 -10.781 3.728 1.00 0.00 C ATOM 615 CG GLN A 41 5.262 -12.126 3.679 1.00 0.00 C ATOM 616 CD GLN A 41 5.380 -12.862 5.015 1.00 0.00 C ATOM 617 OE1 GLN A 41 5.732 -12.296 6.037 1.00 0.00 O ATOM 618 NE2 GLN A 41 5.067 -14.153 4.951 1.00 0.00 N ATOM 0 H GLN A 41 8.427 -11.240 3.621 1.00 0.00 H new ATOM 0 HA GLN A 41 6.446 -11.243 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.641 -10.747 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.266 -9.974 3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.211 -11.966 3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.680 -12.742 2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.780 -14.565 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.114 -14.731 5.790 1.00 0.00 H new ATOM 627 N ARG A 42 7.629 -8.296 2.309 1.00 0.00 N ATOM 628 CA ARG A 42 7.612 -6.904 1.893 1.00 0.00 C ATOM 629 C ARG A 42 7.815 -6.799 0.380 1.00 0.00 C ATOM 630 O ARG A 42 7.075 -6.091 -0.301 1.00 0.00 O ATOM 631 CB ARG A 42 8.705 -6.103 2.604 1.00 0.00 C ATOM 632 CG ARG A 42 8.742 -4.658 2.100 1.00 0.00 C ATOM 633 CD ARG A 42 10.135 -4.292 1.586 1.00 0.00 C ATOM 634 NE ARG A 42 10.811 -3.395 2.550 1.00 0.00 N ATOM 635 CZ ARG A 42 12.045 -2.901 2.379 1.00 0.00 C ATOM 636 NH1 ARG A 42 12.745 -3.213 1.280 1.00 0.00 N ATOM 637 NH2 ARG A 42 12.578 -2.094 3.307 1.00 0.00 N ATOM 0 H ARG A 42 8.428 -8.559 2.886 1.00 0.00 H new ATOM 0 HA ARG A 42 6.640 -6.490 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.527 -6.112 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.673 -6.575 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.011 -4.529 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.458 -3.981 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.727 -5.196 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.056 -3.803 0.615 1.00 0.00 H new ATOM 0 HE ARG A 42 10.306 -3.137 3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.339 -3.826 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.684 -2.837 1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.044 -1.856 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.517 -1.718 3.177 1.00 0.00 H new ATOM 651 N LYS A 43 8.821 -7.515 -0.101 1.00 0.00 N ATOM 652 CA LYS A 43 9.130 -7.511 -1.521 1.00 0.00 C ATOM 653 C LYS A 43 7.943 -8.084 -2.298 1.00 0.00 C ATOM 654 O LYS A 43 7.715 -7.717 -3.450 1.00 0.00 O ATOM 655 CB LYS A 43 10.448 -8.242 -1.784 1.00 0.00 C ATOM 656 CG LYS A 43 10.301 -9.744 -1.532 1.00 0.00 C ATOM 657 CD LYS A 43 11.021 -10.554 -2.612 1.00 0.00 C ATOM 658 CE LYS A 43 12.524 -10.626 -2.333 1.00 0.00 C ATOM 659 NZ LYS A 43 13.226 -11.303 -3.446 1.00 0.00 N ATOM 0 H LYS A 43 9.432 -8.102 0.467 1.00 0.00 H new ATOM 0 HA LYS A 43 9.281 -6.491 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.764 -8.071 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.228 -7.836 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.709 -9.994 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.245 -10.012 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.606 -11.561 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.850 -10.099 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.924 -9.621 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.702 -11.164 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.245 -11.343 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.856 -12.269 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.071 -10.773 -4.327 1.00 0.00 H new ATOM 673 N LEU A 44 7.218 -8.974 -1.637 1.00 0.00 N ATOM 674 CA LEU A 44 6.060 -9.602 -2.251 1.00 0.00 C ATOM 675 C LEU A 44 5.011 -8.532 -2.563 1.00 0.00 C ATOM 676 O LEU A 44 4.539 -8.432 -3.694 1.00 0.00 O ATOM 677 CB LEU A 44 5.536 -10.738 -1.371 1.00 0.00 C ATOM 678 CG LEU A 44 6.559 -11.806 -0.975 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.938 -12.836 -0.030 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.174 -12.461 -2.213 1.00 0.00 C ATOM 0 H LEU A 44 7.410 -9.276 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 44 6.336 -10.065 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.122 -10.305 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.714 -11.227 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 44 7.369 -11.319 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.686 -13.583 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.587 -12.336 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.098 -13.323 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.897 -13.216 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.388 -12.932 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.675 -11.703 -2.815 1.00 0.00 H new ATOM 692 N ILE A 45 4.678 -7.760 -1.539 1.00 0.00 N ATOM 693 CA ILE A 45 3.694 -6.701 -1.690 1.00 0.00 C ATOM 694 C ILE A 45 4.096 -5.799 -2.859 1.00 0.00 C ATOM 695 O ILE A 45 3.290 -5.535 -3.749 1.00 0.00 O ATOM 696 CB ILE A 45 3.508 -5.951 -0.370 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.811 -6.832 0.669 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.769 -4.629 -0.589 1.00 0.00 C ATOM 699 CD1 ILE A 45 2.627 -6.082 1.990 1.00 0.00 C ATOM 0 H ILE A 45 5.072 -7.846 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 45 2.717 -7.120 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 45 4.494 -5.707 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.840 -7.150 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.398 -7.735 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.650 -4.116 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.342 -4.000 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.787 -4.828 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.129 -6.731 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.601 -5.787 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.019 -5.193 1.822 1.00 0.00 H new ATOM 711 N TYR A 46 5.342 -5.351 -2.817 1.00 0.00 N ATOM 712 CA TYR A 46 5.861 -4.485 -3.862 1.00 0.00 C ATOM 713 C TYR A 46 5.887 -5.206 -5.211 1.00 0.00 C ATOM 714 O TYR A 46 5.676 -4.589 -6.253 1.00 0.00 O ATOM 715 CB TYR A 46 7.295 -4.143 -3.453 1.00 0.00 C ATOM 716 CG TYR A 46 7.394 -3.055 -2.381 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.945 -1.778 -2.651 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.932 -3.350 -1.145 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.038 -0.754 -1.643 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.025 -2.326 -0.137 1.00 0.00 C ATOM 721 CZ TYR A 46 7.573 -1.079 -0.436 1.00 0.00 C ATOM 722 OH TYR A 46 7.661 -0.112 0.516 1.00 0.00 O ATOM 0 H TYR A 46 6.007 -5.571 -2.076 1.00 0.00 H new ATOM 0 HA TYR A 46 5.235 -3.600 -3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.782 -5.046 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.847 -3.820 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.524 -1.547 -3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.283 -4.349 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.691 0.249 -1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.444 -2.543 0.834 1.00 0.00 H new ATOM 0 HH TYR A 46 7.973 -0.508 1.357 1.00 0.00 H new ATOM 732 N GLN A 47 6.147 -6.504 -5.147 1.00 0.00 N ATOM 733 CA GLN A 47 6.203 -7.316 -6.350 1.00 0.00 C ATOM 734 C GLN A 47 4.812 -7.433 -6.977 1.00 0.00 C ATOM 735 O GLN A 47 4.666 -7.335 -8.194 1.00 0.00 O ATOM 736 CB GLN A 47 6.787 -8.699 -6.052 1.00 0.00 C ATOM 737 CG GLN A 47 6.070 -9.783 -6.859 1.00 0.00 C ATOM 738 CD GLN A 47 6.940 -11.035 -6.989 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.833 -11.287 -6.197 1.00 0.00 O ATOM 740 NE2 GLN A 47 6.631 -11.802 -8.030 1.00 0.00 N ATOM 0 H GLN A 47 6.321 -7.013 -4.280 1.00 0.00 H new ATOM 0 HA GLN A 47 6.863 -6.825 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.851 -8.707 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.697 -8.914 -4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.128 -10.039 -6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.825 -9.401 -7.850 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.871 -11.532 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.154 -12.660 -8.204 1.00 0.00 H new ATOM 749 N THR A 48 3.826 -7.640 -6.117 1.00 0.00 N ATOM 750 CA THR A 48 2.452 -7.771 -6.571 1.00 0.00 C ATOM 751 C THR A 48 1.937 -6.433 -7.105 1.00 0.00 C ATOM 752 O THR A 48 1.744 -6.274 -8.310 1.00 0.00 O ATOM 753 CB THR A 48 1.620 -8.323 -5.411 1.00 0.00 C ATOM 754 OG1 THR A 48 2.028 -9.684 -5.308 1.00 0.00 O ATOM 755 CG2 THR A 48 0.130 -8.405 -5.746 1.00 0.00 C ATOM 0 H THR A 48 3.951 -7.720 -5.108 1.00 0.00 H new ATOM 0 HA THR A 48 2.376 -8.469 -7.405 1.00 0.00 H new ATOM 0 HB THR A 48 1.760 -7.693 -4.532 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.465 -9.830 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.414 -8.803 -4.889 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.245 -7.409 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.014 -9.061 -6.604 1.00 0.00 H new ATOM 763 N LEU A 49 1.729 -5.505 -6.183 1.00 0.00 N ATOM 764 CA LEU A 49 1.241 -4.185 -6.546 1.00 0.00 C ATOM 765 C LEU A 49 1.978 -3.699 -7.795 1.00 0.00 C ATOM 766 O LEU A 49 1.415 -2.966 -8.607 1.00 0.00 O ATOM 767 CB LEU A 49 1.348 -3.229 -5.357 1.00 0.00 C ATOM 768 CG LEU A 49 0.621 -3.660 -4.081 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.836 -2.644 -2.958 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.864 -3.908 -4.354 1.00 0.00 C ATOM 0 H LEU A 49 1.889 -5.641 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 49 0.181 -4.226 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.403 -3.091 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.960 -2.257 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 49 1.049 -4.605 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.309 -2.974 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.901 -2.560 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.451 -1.672 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.358 -4.213 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.324 -2.992 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.970 -4.696 -5.100 1.00 0.00 H new ATOM 782 N SER A 50 3.227 -4.126 -7.910 1.00 0.00 N ATOM 783 CA SER A 50 4.047 -3.743 -9.046 1.00 0.00 C ATOM 784 C SER A 50 3.273 -3.959 -10.348 1.00 0.00 C ATOM 785 O SER A 50 3.329 -3.129 -11.253 1.00 0.00 O ATOM 786 CB SER A 50 5.358 -4.533 -9.071 1.00 0.00 C ATOM 787 OG SER A 50 5.578 -5.162 -10.330 1.00 0.00 O ATOM 0 H SER A 50 3.691 -4.734 -7.235 1.00 0.00 H new ATOM 0 HA SER A 50 4.293 -2.686 -8.948 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.189 -3.863 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.341 -5.289 -8.286 1.00 0.00 H new ATOM 0 HG SER A 50 6.425 -5.655 -10.306 1.00 0.00 H new ATOM 793 N TRP A 51 2.567 -5.079 -10.399 1.00 0.00 N ATOM 794 CA TRP A 51 1.782 -5.415 -11.575 1.00 0.00 C ATOM 795 C TRP A 51 0.302 -5.308 -11.202 1.00 0.00 C ATOM 796 O TRP A 51 -0.528 -4.950 -12.036 1.00 0.00 O ATOM 797 CB TRP A 51 2.164 -6.796 -12.113 1.00 0.00 C ATOM 798 CG TRP A 51 2.188 -7.894 -11.048 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.242 -8.348 -10.355 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.060 -8.663 -10.580 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.877 -9.349 -9.478 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.508 -9.547 -9.619 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.294 -8.614 -10.956 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.667 -10.447 -8.955 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.121 -9.520 -10.282 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.686 -10.416 -9.313 1.00 0.00 C ATOM 0 H TRP A 51 2.522 -5.765 -9.646 1.00 0.00 H new ATOM 0 HA TRP A 51 1.988 -4.718 -12.388 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.459 -7.078 -12.895 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.148 -6.734 -12.578 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.250 -7.977 -10.469 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.497 -9.851 -8.843 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.666 -7.931 -11.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.042 -11.129 -8.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.171 -9.523 -10.533 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.388 -11.085 -8.838 1.00 0.00 H new ATOM 817 N LYS A 52 0.017 -5.623 -9.947 1.00 0.00 N ATOM 818 CA LYS A 52 -1.349 -5.566 -9.453 1.00 0.00 C ATOM 819 C LYS A 52 -1.868 -4.132 -9.567 1.00 0.00 C ATOM 820 O LYS A 52 -3.007 -3.911 -9.978 1.00 0.00 O ATOM 821 CB LYS A 52 -1.430 -6.139 -8.037 1.00 0.00 C ATOM 822 CG LYS A 52 -1.786 -7.627 -8.067 1.00 0.00 C ATOM 823 CD LYS A 52 -2.760 -7.981 -6.941 1.00 0.00 C ATOM 824 CE LYS A 52 -4.200 -8.029 -7.457 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.699 -9.422 -7.471 1.00 0.00 N ATOM 0 H LYS A 52 0.708 -5.918 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.002 -6.191 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.475 -6.000 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.179 -5.594 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.231 -7.879 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.879 -8.224 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.491 -8.947 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.681 -7.244 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.840 -7.414 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.247 -7.610 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.479 -9.504 -8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.929 -10.064 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.041 -9.678 -6.523 1.00 0.00 H new ATOM 839 N TYR A 53 -1.010 -3.194 -9.196 1.00 0.00 N ATOM 840 CA TYR A 53 -1.368 -1.787 -9.251 1.00 0.00 C ATOM 841 C TYR A 53 -0.125 -0.911 -9.424 1.00 0.00 C ATOM 842 O TYR A 53 0.378 -0.344 -8.456 1.00 0.00 O ATOM 843 CB TYR A 53 -2.021 -1.465 -7.906 1.00 0.00 C ATOM 844 CG TYR A 53 -3.235 -2.337 -7.579 1.00 0.00 C ATOM 845 CD1 TYR A 53 -4.494 -1.949 -7.991 1.00 0.00 C ATOM 846 CD2 TYR A 53 -3.071 -3.511 -6.872 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.636 -2.770 -7.683 1.00 0.00 C ATOM 848 CE2 TYR A 53 -4.214 -4.332 -6.565 1.00 0.00 C ATOM 849 CZ TYR A 53 -5.440 -3.921 -6.985 1.00 0.00 C ATOM 850 OH TYR A 53 -6.519 -4.696 -6.695 1.00 0.00 O ATOM 0 H TYR A 53 -0.067 -3.381 -8.856 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.030 -1.592 -10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.279 -1.582 -7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.327 -0.419 -7.903 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.622 -1.030 -8.544 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.086 -3.814 -6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.627 -2.478 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.100 -5.253 -6.013 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.229 -5.487 -6.194 1.00 0.00 H new ATOM 860 N PRO A 54 0.346 -0.827 -10.697 1.00 0.00 N ATOM 861 CA PRO A 54 1.521 -0.030 -11.009 1.00 0.00 C ATOM 862 C PRO A 54 1.189 1.464 -10.995 1.00 0.00 C ATOM 863 O PRO A 54 1.799 2.232 -10.254 1.00 0.00 O ATOM 864 CB PRO A 54 1.981 -0.524 -12.370 1.00 0.00 C ATOM 865 CG PRO A 54 0.789 -1.247 -12.976 1.00 0.00 C ATOM 866 CD PRO A 54 -0.224 -1.485 -11.868 1.00 0.00 C ATOM 0 HA PRO A 54 2.315 -0.143 -10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.296 0.307 -13.001 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.836 -1.193 -12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.348 -0.652 -13.775 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.101 -2.193 -13.418 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.197 -1.065 -12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.373 -2.550 -11.690 1.00 0.00 H new ATOM 874 N LYS A 55 0.223 1.830 -11.825 1.00 0.00 N ATOM 875 CA LYS A 55 -0.198 3.218 -11.918 1.00 0.00 C ATOM 876 C LYS A 55 -1.568 3.377 -11.256 1.00 0.00 C ATOM 877 O LYS A 55 -2.588 3.009 -11.837 1.00 0.00 O ATOM 878 CB LYS A 55 -0.157 3.694 -13.371 1.00 0.00 C ATOM 879 CG LYS A 55 -1.158 2.918 -14.230 1.00 0.00 C ATOM 880 CD LYS A 55 -0.478 2.333 -15.470 1.00 0.00 C ATOM 881 CE LYS A 55 -0.604 3.282 -16.663 1.00 0.00 C ATOM 882 NZ LYS A 55 0.733 3.631 -17.191 1.00 0.00 N ATOM 0 H LYS A 55 -0.280 1.190 -12.439 1.00 0.00 H new ATOM 0 HA LYS A 55 0.494 3.863 -11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.383 4.759 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.848 3.565 -13.772 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.602 2.115 -13.642 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.971 3.578 -14.534 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.575 2.147 -15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.928 1.371 -15.716 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.200 2.814 -17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.130 4.188 -16.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.629 4.276 -18.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.290 4.097 -16.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.222 2.766 -17.498 1.00 0.00 H new ATOM 896 N GLY A 56 -1.548 3.925 -10.051 1.00 0.00 N ATOM 897 CA GLY A 56 -2.776 4.138 -9.304 1.00 0.00 C ATOM 898 C GLY A 56 -2.479 4.638 -7.889 1.00 0.00 C ATOM 899 O GLY A 56 -3.044 5.638 -7.449 1.00 0.00 O ATOM 0 H GLY A 56 -0.700 4.229 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.402 4.862 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.341 3.207 -9.253 1.00 0.00 H new ATOM 903 N ILE A 57 -1.591 3.921 -7.217 1.00 0.00 N ATOM 904 CA ILE A 57 -1.211 4.280 -5.861 1.00 0.00 C ATOM 905 C ILE A 57 0.313 4.369 -5.769 1.00 0.00 C ATOM 906 O ILE A 57 1.010 4.204 -6.770 1.00 0.00 O ATOM 907 CB ILE A 57 -1.832 3.308 -4.855 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.269 1.897 -5.038 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.359 3.331 -4.941 1.00 0.00 C ATOM 910 CD1 ILE A 57 -2.134 1.082 -6.001 1.00 0.00 C ATOM 0 H ILE A 57 -1.123 3.093 -7.586 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.604 5.264 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.561 3.636 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.250 1.955 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.220 1.393 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.775 2.632 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.721 4.336 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.671 3.042 -5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.712 0.083 -6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.146 1.005 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.161 1.576 -6.972 1.00 0.00 H new ATOM 922 N HIS A 58 0.788 4.631 -4.560 1.00 0.00 N ATOM 923 CA HIS A 58 2.217 4.744 -4.325 1.00 0.00 C ATOM 924 C HIS A 58 2.575 4.065 -3.001 1.00 0.00 C ATOM 925 O HIS A 58 2.052 4.432 -1.950 1.00 0.00 O ATOM 926 CB HIS A 58 2.663 6.207 -4.381 1.00 0.00 C ATOM 927 CG HIS A 58 3.984 6.472 -3.700 1.00 0.00 C ATOM 928 ND1 HIS A 58 5.038 7.110 -4.331 1.00 0.00 N ATOM 929 CD2 HIS A 58 4.411 6.181 -2.438 1.00 0.00 C ATOM 930 CE1 HIS A 58 6.048 7.193 -3.478 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.658 6.616 -2.305 1.00 0.00 N ATOM 0 H HIS A 58 0.208 4.768 -3.732 1.00 0.00 H new ATOM 0 HA HIS A 58 2.761 4.228 -5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.735 6.515 -5.424 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.896 6.828 -3.918 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.037 7.457 -5.290 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.832 5.681 -1.675 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.011 7.639 -3.676 1.00 0.00 H new ATOM 939 N VAL A 59 3.463 3.087 -3.096 1.00 0.00 N ATOM 940 CA VAL A 59 3.897 2.353 -1.920 1.00 0.00 C ATOM 941 C VAL A 59 5.168 2.997 -1.362 1.00 0.00 C ATOM 942 O VAL A 59 6.101 3.287 -2.110 1.00 0.00 O ATOM 943 CB VAL A 59 4.078 0.873 -2.263 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.400 0.056 -1.010 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.842 0.321 -2.975 1.00 0.00 C ATOM 0 H VAL A 59 3.894 2.786 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 59 3.138 2.401 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 59 4.924 0.787 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.524 -0.992 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.322 0.426 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.584 0.152 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.996 -0.733 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.972 0.426 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.676 0.876 -3.898 1.00 0.00 H new ATOM 955 N GLU A 60 5.165 3.202 -0.053 1.00 0.00 N ATOM 956 CA GLU A 60 6.306 3.806 0.613 1.00 0.00 C ATOM 957 C GLU A 60 6.501 3.188 1.998 1.00 0.00 C ATOM 958 O GLU A 60 5.529 2.883 2.688 1.00 0.00 O ATOM 959 CB GLU A 60 6.145 5.325 0.708 1.00 0.00 C ATOM 960 CG GLU A 60 4.753 5.697 1.223 1.00 0.00 C ATOM 961 CD GLU A 60 4.152 6.839 0.401 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.933 7.741 0.027 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.926 6.785 0.166 1.00 0.00 O ATOM 0 H GLU A 60 4.390 2.960 0.564 1.00 0.00 H new ATOM 0 HA GLU A 60 7.197 3.605 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.905 5.734 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.306 5.774 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.099 4.826 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.816 5.992 2.271 1.00 0.00 H new ATOM 970 N THR A 61 7.763 3.020 2.365 1.00 0.00 N ATOM 971 CA THR A 61 8.097 2.444 3.656 1.00 0.00 C ATOM 972 C THR A 61 8.315 3.548 4.693 1.00 0.00 C ATOM 973 O THR A 61 9.348 4.216 4.685 1.00 0.00 O ATOM 974 CB THR A 61 9.316 1.537 3.468 1.00 0.00 C ATOM 975 OG1 THR A 61 8.844 0.493 2.622 1.00 0.00 O ATOM 976 CG2 THR A 61 9.716 0.820 4.758 1.00 0.00 C ATOM 0 H THR A 61 8.567 3.273 1.790 1.00 0.00 H new ATOM 0 HA THR A 61 7.278 1.837 4.042 1.00 0.00 H new ATOM 0 HB THR A 61 10.157 2.129 3.106 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.591 0.866 1.752 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.585 0.190 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.961 1.557 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.887 0.201 5.102 1.00 0.00 H new ATOM 1127 N HIS A 70 7.188 0.420 7.939 1.00 0.00 N ATOM 1128 CA HIS A 70 6.003 -0.314 7.530 1.00 0.00 C ATOM 1129 C HIS A 70 5.544 0.177 6.155 1.00 0.00 C ATOM 1130 O HIS A 70 5.603 1.372 5.868 1.00 0.00 O ATOM 1131 CB HIS A 70 4.906 -0.211 8.592 1.00 0.00 C ATOM 1132 CG HIS A 70 4.119 1.077 8.539 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.811 1.174 8.981 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.468 2.317 8.094 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.401 2.421 8.804 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.430 3.128 8.253 1.00 0.00 N ATOM 0 HA HIS A 70 6.241 -1.374 7.439 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.220 -1.049 8.473 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.359 -0.308 9.579 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.257 0.414 9.376 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.427 2.593 7.682 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.424 2.810 9.052 1.00 0.00 H new ATOM 1144 N ILE A 71 5.098 -0.769 5.343 1.00 0.00 N ATOM 1145 CA ILE A 71 4.630 -0.448 4.005 1.00 0.00 C ATOM 1146 C ILE A 71 3.395 0.450 4.104 1.00 0.00 C ATOM 1147 O ILE A 71 2.488 0.181 4.890 1.00 0.00 O ATOM 1148 CB ILE A 71 4.397 -1.726 3.197 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.722 -2.309 2.701 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.414 -1.479 2.051 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.542 -3.753 2.228 1.00 0.00 C ATOM 0 H ILE A 71 5.051 -1.759 5.585 1.00 0.00 H new ATOM 0 HA ILE A 71 5.390 0.112 3.460 1.00 0.00 H new ATOM 0 HB ILE A 71 3.944 -2.468 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.108 -1.700 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.461 -2.274 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.266 -2.403 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.459 -1.143 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.815 -0.714 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.498 -4.144 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.179 -4.364 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.820 -3.781 1.412 1.00 0.00 H new ATOM 1163 N VAL A 72 3.400 1.500 3.295 1.00 0.00 N ATOM 1164 CA VAL A 72 2.291 2.439 3.281 1.00 0.00 C ATOM 1165 C VAL A 72 1.889 2.725 1.833 1.00 0.00 C ATOM 1166 O VAL A 72 2.742 2.799 0.950 1.00 0.00 O ATOM 1167 CB VAL A 72 2.667 3.703 4.057 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.871 4.910 3.557 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.470 3.501 5.561 1.00 0.00 C ATOM 0 H VAL A 72 4.154 1.721 2.645 1.00 0.00 H new ATOM 0 HA VAL A 72 1.422 2.012 3.782 1.00 0.00 H new ATOM 0 HB VAL A 72 3.724 3.903 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.157 5.795 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.083 5.073 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.805 4.723 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.744 4.414 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.425 3.265 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.100 2.680 5.903 1.00 0.00 H new ATOM 1179 N ILE A 73 0.588 2.877 1.633 1.00 0.00 N ATOM 1180 CA ILE A 73 0.061 3.153 0.307 1.00 0.00 C ATOM 1181 C ILE A 73 -0.527 4.565 0.281 1.00 0.00 C ATOM 1182 O ILE A 73 -0.991 5.068 1.303 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.930 2.065 -0.112 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.261 0.689 -0.128 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.578 2.403 -1.456 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.106 0.138 1.291 1.00 0.00 C ATOM 0 H ILE A 73 -0.117 2.814 2.367 1.00 0.00 H new ATOM 0 HA ILE A 73 0.860 3.127 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.728 2.026 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.855 -0.001 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.718 0.762 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.278 1.614 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.112 3.350 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.806 2.486 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.372 -0.841 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.509 0.818 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.088 0.043 1.754 1.00 0.00 H new ATOM 1198 N SER A 74 -0.489 5.165 -0.900 1.00 0.00 N ATOM 1199 CA SER A 74 -1.013 6.509 -1.074 1.00 0.00 C ATOM 1200 C SER A 74 -1.834 6.588 -2.362 1.00 0.00 C ATOM 1201 O SER A 74 -1.653 5.777 -3.269 1.00 0.00 O ATOM 1202 CB SER A 74 0.117 7.541 -1.099 1.00 0.00 C ATOM 1203 OG SER A 74 -0.178 8.633 -1.966 1.00 0.00 O ATOM 0 H SER A 74 -0.103 4.745 -1.746 1.00 0.00 H new ATOM 0 HA SER A 74 -1.658 6.738 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.289 7.915 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.040 7.060 -1.422 1.00 0.00 H new ATOM 0 HG SER A 74 0.566 9.271 -1.954 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.718 7.574 -2.403 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.567 7.770 -3.566 1.00 0.00 C ATOM 1211 C LYS A 75 -2.764 8.466 -4.667 1.00 0.00 C ATOM 1212 O LYS A 75 -2.223 9.550 -4.455 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.847 8.512 -3.175 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.962 7.530 -2.811 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.333 8.203 -2.888 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.399 7.222 -3.380 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.446 7.936 -4.145 1.00 0.00 N ATOM 0 H LYS A 75 -2.865 8.246 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.892 6.810 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.646 9.169 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.171 9.145 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.934 6.676 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.798 7.145 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.611 8.584 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.284 9.060 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.938 6.459 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.848 6.707 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.162 7.256 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.897 8.647 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.016 8.407 -4.966 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.713 7.813 -5.819 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.985 8.355 -6.954 1.00 0.00 C ATOM 1233 C VAL A 76 -2.915 8.419 -8.167 1.00 0.00 C ATOM 1234 O VAL A 76 -3.978 7.801 -8.172 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.723 7.529 -7.210 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.009 8.019 -8.460 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.201 7.546 -5.991 1.00 0.00 C ATOM 0 H VAL A 76 -3.164 6.914 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.653 9.372 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.028 6.497 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.902 7.415 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.648 7.930 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.295 9.062 -8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.090 6.951 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.494 8.572 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.322 7.126 -5.132 1.00 0.00 H new