USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 619 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 71 LYS NZ :NH3+ 155:sc= -0.159 (180deg=-0.854) USER MOD Set 1.2: A 95 GLN : amide:sc= -0.159 K(o=-0.32,f=-1.7) USER MOD Single : A 20 HIS : no HD1:sc=-0.00508 X(o=-0.0051,f=-0.33) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.137 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 37 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-5.3!) USER MOD Single : A 41 ASN : amide:sc= -0.0765 K(o=-0.077,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.053) USER MOD Single : A 45 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-8.6!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.124 (180deg=-0.772) USER MOD Single : A 57 CYS SG : rot -49:sc= 1.14 USER MOD Single : A 60 HIS : no HD1:sc= -3.04! C(o=-3!,f=-8.4!) USER MOD Single : A 72 TYR OH : rot 34:sc= 0.356 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.465 K(o=-0.46,f=-2.8) USER MOD Single : A 101 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 12.223 -1.248 -9.010 1.00 0.00 N ATOM 109 CA HIS A 20 12.280 -0.025 -8.194 1.00 0.00 C ATOM 110 C HIS A 20 10.904 0.616 -8.093 1.00 0.00 C ATOM 111 O HIS A 20 10.785 1.760 -7.668 1.00 0.00 O ATOM 112 CB HIS A 20 13.282 0.970 -8.822 1.00 0.00 C ATOM 113 CG HIS A 20 12.893 1.247 -10.254 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.023 2.271 -10.598 1.00 0.00 N ATOM 115 CD2 HIS A 20 13.236 0.636 -11.435 1.00 0.00 C ATOM 116 CE1 HIS A 20 11.873 2.245 -11.933 1.00 0.00 C ATOM 117 NE2 HIS A 20 12.591 1.270 -12.494 1.00 0.00 N ATOM 0 HA HIS A 20 12.611 -0.288 -7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.293 1.899 -8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.291 0.559 -8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 20 13.904 -0.207 -11.528 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.247 2.930 -12.485 1.00 0.00 H new ATOM 0 HE2 HIS A 20 12.654 1.039 -13.485 1.00 0.00 H new ATOM 125 N MET A 21 9.872 -0.125 -8.492 1.00 0.00 N ATOM 126 CA MET A 21 8.499 0.384 -8.454 1.00 0.00 C ATOM 127 C MET A 21 8.069 0.664 -7.027 1.00 0.00 C ATOM 128 O MET A 21 7.361 1.633 -6.765 1.00 0.00 O ATOM 129 CB MET A 21 7.535 -0.632 -9.103 1.00 0.00 C ATOM 130 CG MET A 21 8.004 -0.973 -10.552 1.00 0.00 C ATOM 131 SD MET A 21 9.265 -2.294 -10.493 1.00 0.00 S ATOM 132 CE MET A 21 8.655 -3.295 -11.865 1.00 0.00 C ATOM 0 H MET A 21 9.958 -1.078 -8.845 1.00 0.00 H new ATOM 0 HA MET A 21 8.466 1.317 -9.016 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.495 -1.541 -8.503 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.525 -0.222 -9.127 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.154 -1.294 -11.154 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.416 -0.084 -11.030 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.299 -4.165 -11.995 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.638 -3.625 -11.651 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.659 -2.701 -12.779 1.00 0.00 H new ATOM 142 N ALA A 22 8.506 -0.202 -6.108 1.00 0.00 N ATOM 143 CA ALA A 22 8.155 -0.053 -4.698 1.00 0.00 C ATOM 144 C ALA A 22 8.637 1.294 -4.161 1.00 0.00 C ATOM 145 O ALA A 22 7.848 2.087 -3.659 1.00 0.00 O ATOM 146 CB ALA A 22 8.792 -1.194 -3.878 1.00 0.00 C ATOM 0 H ALA A 22 9.098 -1.006 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 22 7.070 -0.098 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.527 -1.078 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.423 -2.153 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.876 -1.158 -3.985 1.00 0.00 H new ATOM 152 N SER A 23 9.945 1.543 -4.282 1.00 0.00 N ATOM 153 CA SER A 23 10.537 2.798 -3.797 1.00 0.00 C ATOM 154 C SER A 23 9.963 3.984 -4.545 1.00 0.00 C ATOM 155 O SER A 23 9.630 5.009 -3.949 1.00 0.00 O ATOM 156 CB SER A 23 12.062 2.764 -3.982 1.00 0.00 C ATOM 157 OG SER A 23 12.363 2.701 -5.370 1.00 0.00 O ATOM 0 H SER A 23 10.611 0.899 -4.708 1.00 0.00 H new ATOM 0 HA SER A 23 10.300 2.902 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.514 3.652 -3.540 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.484 1.901 -3.467 1.00 0.00 H new ATOM 0 HG SER A 23 13.335 2.681 -5.493 1.00 0.00 H new ATOM 163 N LYS A 24 9.848 3.840 -5.867 1.00 0.00 N ATOM 164 CA LYS A 24 9.324 4.917 -6.700 1.00 0.00 C ATOM 165 C LYS A 24 7.895 5.265 -6.286 1.00 0.00 C ATOM 166 O LYS A 24 7.521 6.435 -6.220 1.00 0.00 O ATOM 167 CB LYS A 24 9.354 4.495 -8.182 1.00 0.00 C ATOM 168 CG LYS A 24 8.974 5.692 -9.095 1.00 0.00 C ATOM 169 CD LYS A 24 9.031 5.286 -10.581 1.00 0.00 C ATOM 170 CE LYS A 24 8.664 6.494 -11.466 1.00 0.00 C ATOM 171 NZ LYS A 24 8.747 6.087 -12.879 1.00 0.00 N ATOM 0 H LYS A 24 10.109 2.996 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 24 9.950 5.799 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.348 4.132 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.660 3.670 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.972 6.041 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.655 6.524 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.030 4.930 -10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.342 4.463 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.658 6.842 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.342 7.325 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.501 6.894 -13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.715 5.773 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.083 5.306 -13.055 1.00 0.00 H new ATOM 185 N ARG A 25 7.094 4.232 -6.033 1.00 0.00 N ATOM 186 CA ARG A 25 5.702 4.427 -5.639 1.00 0.00 C ATOM 187 C ARG A 25 5.619 4.923 -4.219 1.00 0.00 C ATOM 188 O ARG A 25 4.858 5.824 -3.928 1.00 0.00 O ATOM 189 CB ARG A 25 4.942 3.094 -5.772 1.00 0.00 C ATOM 190 CG ARG A 25 4.802 2.684 -7.296 1.00 0.00 C ATOM 191 CD ARG A 25 3.477 3.221 -7.902 1.00 0.00 C ATOM 192 NE ARG A 25 3.517 4.690 -7.949 1.00 0.00 N ATOM 193 CZ ARG A 25 4.210 5.350 -8.882 1.00 0.00 C ATOM 194 NH1 ARG A 25 4.890 4.690 -9.777 1.00 0.00 N ATOM 195 NH2 ARG A 25 4.221 6.659 -8.887 1.00 0.00 N ATOM 0 H ARG A 25 7.384 3.256 -6.094 1.00 0.00 H new ATOM 0 HA ARG A 25 5.251 5.173 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.470 2.312 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.954 3.186 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.648 3.076 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.833 1.598 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.334 2.819 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.630 2.889 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 25 3.000 5.221 -7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.893 3.670 -9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.419 5.193 -10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.700 7.176 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.750 7.162 -9.599 1.00 0.00 H new ATOM 209 N ASP A 26 6.397 4.314 -3.339 1.00 0.00 N ATOM 210 CA ASP A 26 6.401 4.686 -1.918 1.00 0.00 C ATOM 211 C ASP A 26 6.889 6.105 -1.752 1.00 0.00 C ATOM 212 O ASP A 26 6.731 6.697 -0.692 1.00 0.00 O ATOM 213 CB ASP A 26 7.291 3.717 -1.121 1.00 0.00 C ATOM 214 CG ASP A 26 6.708 2.298 -1.151 1.00 0.00 C ATOM 215 OD1 ASP A 26 5.494 2.170 -1.156 1.00 0.00 O ATOM 216 OD2 ASP A 26 7.490 1.360 -1.170 1.00 0.00 O ATOM 0 H ASP A 26 7.038 3.557 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 26 5.383 4.622 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.297 3.711 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.377 4.059 -0.090 1.00 0.00 H new ATOM 221 N LYS A 27 7.513 6.640 -2.796 1.00 0.00 N ATOM 222 CA LYS A 27 8.055 7.997 -2.746 1.00 0.00 C ATOM 223 C LYS A 27 7.001 9.010 -2.296 1.00 0.00 C ATOM 224 O LYS A 27 7.320 10.141 -1.897 1.00 0.00 O ATOM 225 CB LYS A 27 8.583 8.388 -4.136 1.00 0.00 C ATOM 226 CG LYS A 27 9.658 9.512 -4.015 1.00 0.00 C ATOM 227 CD LYS A 27 10.071 10.027 -5.415 1.00 0.00 C ATOM 228 CE LYS A 27 10.652 8.879 -6.291 1.00 0.00 C ATOM 229 NZ LYS A 27 11.439 9.461 -7.384 1.00 0.00 N ATOM 0 H LYS A 27 7.657 6.159 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 27 8.865 8.010 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.014 7.515 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.759 8.731 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.264 10.336 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.533 9.130 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.206 10.466 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.813 10.818 -5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.277 8.223 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.844 8.267 -6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.831 8.699 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.828 10.070 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.217 10.027 -6.989 1.00 0.00 H new ATOM 243 N ILE A 28 5.737 8.588 -2.380 1.00 0.00 N ATOM 244 CA ILE A 28 4.631 9.443 -1.993 1.00 0.00 C ATOM 245 C ILE A 28 4.715 9.771 -0.510 1.00 0.00 C ATOM 246 O ILE A 28 4.186 10.779 -0.069 1.00 0.00 O ATOM 247 CB ILE A 28 3.285 8.736 -2.299 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.230 7.337 -1.561 1.00 0.00 C ATOM 249 CG2 ILE A 28 3.144 8.553 -3.843 1.00 0.00 C ATOM 250 CD1 ILE A 28 1.837 6.716 -1.678 1.00 0.00 C ATOM 0 H ILE A 28 5.463 7.663 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 28 4.687 10.370 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 28 2.456 9.344 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.971 6.664 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.489 7.465 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.200 8.056 -4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.164 9.529 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.970 7.946 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.823 5.755 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.103 7.382 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.592 6.568 -2.730 1.00 0.00 H new ATOM 262 N ALA A 29 5.360 8.887 0.253 1.00 0.00 N ATOM 263 CA ALA A 29 5.462 9.057 1.708 1.00 0.00 C ATOM 264 C ALA A 29 5.985 10.443 2.067 1.00 0.00 C ATOM 265 O ALA A 29 5.350 11.200 2.813 1.00 0.00 O ATOM 266 CB ALA A 29 6.404 7.977 2.295 1.00 0.00 C ATOM 0 H ALA A 29 5.818 8.050 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 29 4.464 8.948 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.477 8.106 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.005 6.987 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.394 8.077 1.850 1.00 0.00 H new ATOM 272 N ASP A 30 7.160 10.757 1.526 1.00 0.00 N ATOM 273 CA ASP A 30 7.806 12.041 1.787 1.00 0.00 C ATOM 274 C ASP A 30 7.034 13.187 1.168 1.00 0.00 C ATOM 275 O ASP A 30 6.927 14.256 1.754 1.00 0.00 O ATOM 276 CB ASP A 30 9.247 12.037 1.222 1.00 0.00 C ATOM 277 CG ASP A 30 10.030 10.869 1.814 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.899 10.645 3.006 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.745 10.217 1.070 1.00 0.00 O ATOM 0 H ASP A 30 7.684 10.140 0.905 1.00 0.00 H new ATOM 0 HA ASP A 30 7.830 12.182 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.221 11.956 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.744 12.978 1.460 1.00 0.00 H new ATOM 284 N ILE A 31 6.502 12.964 -0.033 1.00 0.00 N ATOM 285 CA ILE A 31 5.765 14.025 -0.744 1.00 0.00 C ATOM 286 C ILE A 31 4.440 14.331 -0.074 1.00 0.00 C ATOM 287 O ILE A 31 4.052 15.493 0.067 1.00 0.00 O ATOM 288 CB ILE A 31 5.517 13.591 -2.215 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.893 13.323 -2.929 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.698 14.692 -2.986 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.677 12.641 -4.293 1.00 0.00 C ATOM 0 H ILE A 31 6.562 12.077 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 31 6.371 14.930 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 31 4.932 12.671 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.425 14.264 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.519 12.693 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.534 14.370 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.736 14.841 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.255 15.629 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.642 12.465 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.166 11.689 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.070 13.285 -4.930 1.00 0.00 H new ATOM 303 N GLN A 32 3.720 13.274 0.301 1.00 0.00 N ATOM 304 CA GLN A 32 2.396 13.429 0.890 1.00 0.00 C ATOM 305 C GLN A 32 2.464 14.314 2.116 1.00 0.00 C ATOM 306 O GLN A 32 1.800 15.352 2.180 1.00 0.00 O ATOM 307 CB GLN A 32 1.813 12.048 1.265 1.00 0.00 C ATOM 308 CG GLN A 32 0.329 12.179 1.714 1.00 0.00 C ATOM 309 CD GLN A 32 -0.251 10.819 2.046 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.440 9.960 2.591 1.00 0.00 O ATOM 311 NE2 GLN A 32 -1.493 10.574 1.751 1.00 0.00 N ATOM 0 H GLN A 32 4.032 12.307 0.207 1.00 0.00 H new ATOM 0 HA GLN A 32 1.743 13.900 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.881 11.375 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.403 11.605 2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.263 12.831 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.256 12.646 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.061 11.291 1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.900 9.665 1.972 1.00 0.00 H new ATOM 320 N GLU A 33 3.274 13.886 3.090 1.00 0.00 N ATOM 321 CA GLU A 33 3.416 14.626 4.345 1.00 0.00 C ATOM 322 C GLU A 33 3.941 16.015 4.102 1.00 0.00 C ATOM 323 O GLU A 33 3.364 16.985 4.590 1.00 0.00 O ATOM 324 CB GLU A 33 4.374 13.888 5.289 1.00 0.00 C ATOM 325 CG GLU A 33 3.804 12.487 5.628 1.00 0.00 C ATOM 326 CD GLU A 33 4.761 11.750 6.562 1.00 0.00 C ATOM 327 OE1 GLU A 33 5.952 11.790 6.298 1.00 0.00 O ATOM 328 OE2 GLU A 33 4.295 11.159 7.521 1.00 0.00 O ATOM 0 H GLU A 33 3.837 13.037 3.033 1.00 0.00 H new ATOM 0 HA GLU A 33 2.428 14.698 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.354 13.788 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.514 14.465 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.826 12.587 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.660 11.912 4.713 1.00 0.00 H new ATOM 335 N ALA A 34 5.097 16.094 3.415 1.00 0.00 N ATOM 336 CA ALA A 34 5.764 17.363 3.199 1.00 0.00 C ATOM 337 C ALA A 34 4.748 18.411 2.858 1.00 0.00 C ATOM 338 O ALA A 34 4.584 19.318 3.608 1.00 0.00 O ATOM 339 CB ALA A 34 6.739 17.251 2.026 1.00 0.00 C ATOM 0 H ALA A 34 5.575 15.290 3.008 1.00 0.00 H new ATOM 0 HA ALA A 34 6.302 17.631 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.235 18.209 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.485 16.487 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.193 16.976 1.124 1.00 0.00 H new ATOM 345 N LEU A 35 4.015 18.245 1.774 1.00 0.00 N ATOM 346 CA LEU A 35 2.977 19.224 1.423 1.00 0.00 C ATOM 347 C LEU A 35 1.835 19.252 2.451 1.00 0.00 C ATOM 348 O LEU A 35 1.472 20.298 2.987 1.00 0.00 O ATOM 349 CB LEU A 35 2.411 18.881 0.029 1.00 0.00 C ATOM 350 CG LEU A 35 1.142 19.746 -0.305 1.00 0.00 C ATOM 351 CD1 LEU A 35 1.474 21.280 -0.223 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.596 19.370 -1.692 1.00 0.00 C ATOM 0 H LEU A 35 4.107 17.462 1.126 1.00 0.00 H new ATOM 0 HA LEU A 35 3.435 20.213 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.177 19.050 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.152 17.823 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 35 0.371 19.536 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.581 21.859 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.811 21.526 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.261 21.521 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.283 19.975 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.362 19.553 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.322 18.315 -1.701 1.00 0.00 H new ATOM 364 N ALA A 36 1.207 18.093 2.653 1.00 0.00 N ATOM 365 CA ALA A 36 0.039 18.007 3.545 1.00 0.00 C ATOM 366 C ALA A 36 0.322 18.679 4.890 1.00 0.00 C ATOM 367 O ALA A 36 -0.329 19.658 5.277 1.00 0.00 O ATOM 368 CB ALA A 36 -0.313 16.526 3.770 1.00 0.00 C ATOM 0 H ALA A 36 1.478 17.210 2.220 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.798 18.526 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.177 16.454 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.546 16.058 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.535 16.016 4.226 1.00 0.00 H new ATOM 374 N HIS A 37 1.318 18.152 5.575 1.00 0.00 N ATOM 375 CA HIS A 37 1.763 18.651 6.881 1.00 0.00 C ATOM 376 C HIS A 37 2.658 19.868 6.735 1.00 0.00 C ATOM 377 O HIS A 37 3.471 20.118 7.621 1.00 0.00 O ATOM 378 CB HIS A 37 2.470 17.542 7.691 1.00 0.00 C ATOM 379 CG HIS A 37 1.536 16.377 7.847 1.00 0.00 C ATOM 380 ND1 HIS A 37 1.054 15.670 6.756 1.00 0.00 N ATOM 381 CD2 HIS A 37 0.978 15.794 8.953 1.00 0.00 C ATOM 382 CE1 HIS A 37 0.246 14.706 7.228 1.00 0.00 C ATOM 383 NE2 HIS A 37 0.166 14.736 8.562 1.00 0.00 N ATOM 0 H HIS A 37 1.856 17.352 5.243 1.00 0.00 H new ATOM 0 HA HIS A 37 0.874 18.957 7.433 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.381 17.228 7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 37 2.765 17.921 8.669 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.143 16.108 9.973 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.275 13.994 6.606 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.375 14.115 9.164 1.00 0.00 H new ATOM 391 N ALA A 38 2.516 20.621 5.621 1.00 0.00 N ATOM 392 CA ALA A 38 3.334 21.836 5.432 1.00 0.00 C ATOM 393 C ALA A 38 2.491 23.064 5.413 1.00 0.00 C ATOM 394 O ALA A 38 2.745 23.922 6.238 1.00 0.00 O ATOM 395 CB ALA A 38 4.081 21.783 4.083 1.00 0.00 C ATOM 0 H ALA A 38 1.865 20.417 4.863 1.00 0.00 H new ATOM 0 HA ALA A 38 4.033 21.872 6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.678 22.687 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.735 20.911 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.359 21.714 3.270 1.00 0.00 H new ATOM 401 N ASP A 39 1.473 23.116 4.496 1.00 0.00 N ATOM 402 CA ASP A 39 0.576 24.299 4.326 1.00 0.00 C ATOM 403 C ASP A 39 1.038 25.474 5.200 1.00 0.00 C ATOM 404 O ASP A 39 0.276 26.006 6.029 1.00 0.00 O ATOM 405 CB ASP A 39 -0.881 23.922 4.670 1.00 0.00 C ATOM 406 CG ASP A 39 -1.337 22.737 3.822 1.00 0.00 C ATOM 407 OD1 ASP A 39 -1.083 22.756 2.630 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.936 21.827 4.377 1.00 0.00 O ATOM 0 H ASP A 39 1.256 22.346 3.863 1.00 0.00 H new ATOM 0 HA ASP A 39 0.625 24.611 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.959 23.672 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.536 24.776 4.495 1.00 0.00 H new ATOM 413 N ALA A 40 2.333 25.813 5.069 1.00 0.00 N ATOM 414 CA ALA A 40 2.937 26.840 5.907 1.00 0.00 C ATOM 415 C ALA A 40 2.273 28.169 5.655 1.00 0.00 C ATOM 416 O ALA A 40 1.822 28.828 6.589 1.00 0.00 O ATOM 417 CB ALA A 40 4.455 26.938 5.615 1.00 0.00 C ATOM 0 H ALA A 40 2.969 25.389 4.394 1.00 0.00 H new ATOM 0 HA ALA A 40 2.797 26.570 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.898 27.708 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.929 25.979 5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.608 27.195 4.567 1.00 0.00 H new ATOM 423 N ASN A 41 2.218 28.551 4.374 1.00 0.00 N ATOM 424 CA ASN A 41 1.617 29.828 4.020 1.00 0.00 C ATOM 425 C ASN A 41 0.104 29.737 4.083 1.00 0.00 C ATOM 426 O ASN A 41 -0.571 30.762 4.139 1.00 0.00 O ATOM 427 CB ASN A 41 2.068 30.212 2.594 1.00 0.00 C ATOM 428 CG ASN A 41 1.548 31.605 2.228 1.00 0.00 C ATOM 429 OD1 ASN A 41 1.430 32.471 3.093 1.00 0.00 O ATOM 430 ND2 ASN A 41 1.215 31.869 0.999 1.00 0.00 N ATOM 0 H ASN A 41 2.574 28.006 3.589 1.00 0.00 H new ATOM 0 HA ASN A 41 1.941 30.591 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.156 30.195 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.697 29.478 1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.857 32.792 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.312 31.153 0.279 1.00 0.00 H new ATOM 437 N ALA A 42 -0.425 28.509 4.086 1.00 0.00 N ATOM 438 CA ALA A 42 -1.880 28.299 4.160 1.00 0.00 C ATOM 439 C ALA A 42 -2.636 29.167 3.137 1.00 0.00 C ATOM 440 O ALA A 42 -3.511 29.949 3.500 1.00 0.00 O ATOM 441 CB ALA A 42 -2.349 28.639 5.586 1.00 0.00 C ATOM 0 H ALA A 42 0.124 27.651 4.039 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.097 27.258 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.426 28.489 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.842 27.990 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.111 29.679 5.809 1.00 0.00 H new ATOM 447 N ASP A 43 -2.288 29.018 1.855 1.00 0.00 N ATOM 448 CA ASP A 43 -2.933 29.788 0.769 1.00 0.00 C ATOM 449 C ASP A 43 -3.907 28.917 0.022 1.00 0.00 C ATOM 450 O ASP A 43 -4.658 29.431 -0.789 1.00 0.00 O ATOM 451 CB ASP A 43 -1.852 30.315 -0.196 1.00 0.00 C ATOM 452 CG ASP A 43 -0.946 29.175 -0.688 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.297 28.014 -0.506 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.094 29.486 -1.239 1.00 0.00 O ATOM 0 H ASP A 43 -1.564 28.373 1.537 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.477 30.629 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.327 30.800 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.249 31.072 0.306 1.00 0.00 H new ATOM 459 N GLN A 44 -3.883 27.610 0.303 1.00 0.00 N ATOM 460 CA GLN A 44 -4.785 26.650 -0.336 1.00 0.00 C ATOM 461 C GLN A 44 -4.532 26.562 -1.824 1.00 0.00 C ATOM 462 O GLN A 44 -5.260 25.875 -2.524 1.00 0.00 O ATOM 463 CB GLN A 44 -6.274 27.057 -0.070 1.00 0.00 C ATOM 464 CG GLN A 44 -6.521 27.176 1.460 1.00 0.00 C ATOM 465 CD GLN A 44 -6.411 25.798 2.107 1.00 0.00 C ATOM 466 OE1 GLN A 44 -5.434 25.501 2.799 1.00 0.00 O ATOM 467 NE2 GLN A 44 -7.351 24.927 1.887 1.00 0.00 N ATOM 0 H GLN A 44 -3.241 27.191 0.976 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.594 25.668 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.494 28.006 -0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.946 26.314 -0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.794 27.856 1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.508 27.599 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.156 25.179 1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.283 23.991 2.288 1.00 0.00 H new ATOM 476 N HIS A 45 -3.479 27.237 -2.297 1.00 0.00 N ATOM 477 CA HIS A 45 -3.101 27.224 -3.723 1.00 0.00 C ATOM 478 C HIS A 45 -1.651 26.846 -3.795 1.00 0.00 C ATOM 479 O HIS A 45 -0.843 27.311 -2.988 1.00 0.00 O ATOM 480 CB HIS A 45 -3.325 28.615 -4.353 1.00 0.00 C ATOM 481 CG HIS A 45 -4.792 28.947 -4.319 1.00 0.00 C ATOM 482 ND1 HIS A 45 -5.393 29.547 -3.226 1.00 0.00 N ATOM 483 CD2 HIS A 45 -5.790 28.761 -5.242 1.00 0.00 C ATOM 484 CE1 HIS A 45 -6.696 29.696 -3.513 1.00 0.00 C ATOM 485 NE2 HIS A 45 -6.992 29.235 -4.731 1.00 0.00 N ATOM 0 H HIS A 45 -2.866 27.805 -1.712 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.713 26.511 -4.276 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.757 29.369 -3.808 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.962 28.624 -5.381 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.930 29.825 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.661 28.314 -6.217 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.418 30.136 -2.840 1.00 0.00 H new ATOM 493 N LEU A 46 -1.343 25.984 -4.748 1.00 0.00 N ATOM 494 CA LEU A 46 0.009 25.476 -4.921 1.00 0.00 C ATOM 495 C LEU A 46 0.769 26.267 -5.977 1.00 0.00 C ATOM 496 O LEU A 46 0.337 26.339 -7.124 1.00 0.00 O ATOM 497 CB LEU A 46 -0.051 23.994 -5.379 1.00 0.00 C ATOM 498 CG LEU A 46 1.344 23.286 -5.125 1.00 0.00 C ATOM 499 CD1 LEU A 46 1.419 22.772 -3.652 1.00 0.00 C ATOM 500 CD2 LEU A 46 1.546 22.122 -6.125 1.00 0.00 C ATOM 0 H LEU A 46 -2.017 25.618 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 46 0.524 25.570 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.837 23.470 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.306 23.943 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 46 2.144 24.009 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.380 22.287 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.313 23.613 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.616 22.057 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.508 21.645 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.748 21.391 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.524 22.509 -7.144 1.00 0.00 H new ATOM 512 N ASP A 47 1.912 26.838 -5.581 1.00 0.00 N ATOM 513 CA ASP A 47 2.784 27.581 -6.494 1.00 0.00 C ATOM 514 C ASP A 47 4.054 26.767 -6.665 1.00 0.00 C ATOM 515 O ASP A 47 4.521 26.125 -5.720 1.00 0.00 O ATOM 516 CB ASP A 47 3.089 28.973 -5.916 1.00 0.00 C ATOM 517 CG ASP A 47 3.727 28.861 -4.530 1.00 0.00 C ATOM 518 OD1 ASP A 47 3.249 28.064 -3.749 1.00 0.00 O ATOM 519 OD2 ASP A 47 4.675 29.591 -4.272 1.00 0.00 O ATOM 0 H ASP A 47 2.257 26.798 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 47 2.304 27.732 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.759 29.511 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.169 29.554 -5.851 1.00 0.00 H new ATOM 524 N PHE A 48 4.595 26.791 -7.877 1.00 0.00 N ATOM 525 CA PHE A 48 5.786 26.035 -8.222 1.00 0.00 C ATOM 526 C PHE A 48 6.889 26.167 -7.175 1.00 0.00 C ATOM 527 O PHE A 48 7.488 25.174 -6.775 1.00 0.00 O ATOM 528 CB PHE A 48 6.352 26.536 -9.577 1.00 0.00 C ATOM 529 CG PHE A 48 7.247 25.447 -10.183 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.647 24.309 -10.761 1.00 0.00 C ATOM 531 CD2 PHE A 48 8.659 25.553 -10.165 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.439 23.295 -11.318 1.00 0.00 C ATOM 533 CE2 PHE A 48 9.443 24.533 -10.729 1.00 0.00 C ATOM 534 CZ PHE A 48 8.834 23.409 -11.303 1.00 0.00 C ATOM 0 H PHE A 48 4.216 27.339 -8.649 1.00 0.00 H new ATOM 0 HA PHE A 48 5.485 24.989 -8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.536 26.775 -10.260 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.923 27.453 -9.430 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.571 24.218 -10.775 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.132 26.416 -9.719 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.973 22.426 -11.759 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.520 24.615 -10.720 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.443 22.628 -11.735 1.00 0.00 H new ATOM 544 N ASP A 49 7.170 27.408 -6.753 1.00 0.00 N ATOM 545 CA ASP A 49 8.240 27.652 -5.782 1.00 0.00 C ATOM 546 C ASP A 49 8.150 26.682 -4.605 1.00 0.00 C ATOM 547 O ASP A 49 9.088 25.931 -4.317 1.00 0.00 O ATOM 548 CB ASP A 49 8.124 29.105 -5.271 1.00 0.00 C ATOM 549 CG ASP A 49 9.310 29.435 -4.358 1.00 0.00 C ATOM 550 OD1 ASP A 49 10.345 29.801 -4.883 1.00 0.00 O ATOM 551 OD2 ASP A 49 9.168 29.293 -3.152 1.00 0.00 O ATOM 0 H ASP A 49 6.678 28.246 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 49 9.202 27.497 -6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.100 29.795 -6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.188 29.234 -4.727 1.00 0.00 H new ATOM 556 N GLU A 50 7.002 26.697 -3.935 1.00 0.00 N ATOM 557 CA GLU A 50 6.783 25.808 -2.789 1.00 0.00 C ATOM 558 C GLU A 50 7.003 24.371 -3.224 1.00 0.00 C ATOM 559 O GLU A 50 7.663 23.613 -2.535 1.00 0.00 O ATOM 560 CB GLU A 50 5.348 25.968 -2.250 1.00 0.00 C ATOM 561 CG GLU A 50 5.158 27.368 -1.612 1.00 0.00 C ATOM 562 CD GLU A 50 3.735 27.541 -1.073 1.00 0.00 C ATOM 563 OE1 GLU A 50 2.984 26.575 -1.074 1.00 0.00 O ATOM 564 OE2 GLU A 50 3.418 28.644 -0.668 1.00 0.00 O ATOM 0 H GLU A 50 6.215 27.306 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 50 7.485 26.069 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.632 25.831 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.143 25.194 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.875 27.502 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.366 28.140 -2.353 1.00 0.00 H new ATOM 571 N TRP A 51 6.461 24.006 -4.392 1.00 0.00 N ATOM 572 CA TRP A 51 6.607 22.636 -4.885 1.00 0.00 C ATOM 573 C TRP A 51 8.071 22.279 -5.047 1.00 0.00 C ATOM 574 O TRP A 51 8.570 21.332 -4.425 1.00 0.00 O ATOM 575 CB TRP A 51 5.864 22.497 -6.231 1.00 0.00 C ATOM 576 CG TRP A 51 5.774 21.053 -6.619 1.00 0.00 C ATOM 577 CD1 TRP A 51 6.381 20.491 -7.690 1.00 0.00 C ATOM 578 CD2 TRP A 51 5.073 19.981 -5.939 1.00 0.00 C ATOM 579 NE1 TRP A 51 6.071 19.146 -7.739 1.00 0.00 N ATOM 580 CE2 TRP A 51 5.272 18.782 -6.671 1.00 0.00 C ATOM 581 CE3 TRP A 51 4.286 19.925 -4.770 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.708 17.584 -6.257 1.00 0.00 C ATOM 583 CZ3 TRP A 51 3.726 18.714 -4.355 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.936 17.547 -5.092 1.00 0.00 C ATOM 0 H TRP A 51 5.928 24.627 -5.001 1.00 0.00 H new ATOM 0 HA TRP A 51 6.173 21.947 -4.161 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.864 22.923 -6.150 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.388 23.058 -7.005 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.010 21.013 -8.396 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.389 18.506 -8.467 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.115 20.822 -4.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.865 16.684 -6.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.126 18.680 -3.457 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.502 16.615 -4.762 1.00 0.00 H new ATOM 595 N ARG A 52 8.744 23.042 -5.890 1.00 0.00 N ATOM 596 CA ARG A 52 10.153 22.804 -6.168 1.00 0.00 C ATOM 597 C ARG A 52 10.963 22.704 -4.894 1.00 0.00 C ATOM 598 O ARG A 52 11.618 21.716 -4.647 1.00 0.00 O ATOM 599 CB ARG A 52 10.746 23.965 -7.010 1.00 0.00 C ATOM 600 CG ARG A 52 12.240 23.668 -7.400 1.00 0.00 C ATOM 601 CD ARG A 52 12.836 24.843 -8.163 1.00 0.00 C ATOM 602 NE ARG A 52 12.838 26.036 -7.302 1.00 0.00 N ATOM 603 CZ ARG A 52 13.282 27.214 -7.748 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.724 27.318 -8.972 1.00 0.00 N ATOM 605 NH2 ARG A 52 13.271 28.258 -6.965 1.00 0.00 N ATOM 0 H ARG A 52 8.340 23.831 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 52 10.209 21.862 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.151 24.106 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.692 24.895 -6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.825 23.476 -6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.290 22.767 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.852 24.608 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.258 25.035 -9.067 1.00 0.00 H new ATOM 0 HE ARG A 52 12.493 25.962 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.729 26.502 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.064 28.216 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.923 28.175 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.611 29.156 -7.308 1.00 0.00 H new ATOM 619 N GLN A 53 10.888 23.742 -4.087 1.00 0.00 N ATOM 620 CA GLN A 53 11.682 23.810 -2.851 1.00 0.00 C ATOM 621 C GLN A 53 11.306 22.733 -1.853 1.00 0.00 C ATOM 622 O GLN A 53 12.169 22.112 -1.229 1.00 0.00 O ATOM 623 CB GLN A 53 11.532 25.203 -2.204 1.00 0.00 C ATOM 624 CG GLN A 53 12.566 25.383 -1.053 1.00 0.00 C ATOM 625 CD GLN A 53 12.444 26.762 -0.443 1.00 0.00 C ATOM 626 OE1 GLN A 53 11.363 27.153 -0.001 1.00 0.00 O ATOM 627 NE2 GLN A 53 13.495 27.525 -0.383 1.00 0.00 N ATOM 0 H GLN A 53 10.292 24.553 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 53 12.722 23.639 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.678 25.978 -2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.521 25.323 -1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.403 24.624 -0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.576 25.237 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.387 27.194 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.428 28.454 0.032 1.00 0.00 H new ATOM 636 N GLU A 54 9.997 22.516 -1.685 1.00 0.00 N ATOM 637 CA GLU A 54 9.523 21.533 -0.722 1.00 0.00 C ATOM 638 C GLU A 54 10.034 20.141 -1.072 1.00 0.00 C ATOM 639 O GLU A 54 10.613 19.445 -0.239 1.00 0.00 O ATOM 640 CB GLU A 54 7.979 21.534 -0.702 1.00 0.00 C ATOM 641 CG GLU A 54 7.446 20.498 0.311 1.00 0.00 C ATOM 642 CD GLU A 54 5.942 20.506 0.325 1.00 0.00 C ATOM 643 OE1 GLU A 54 5.378 21.540 0.629 1.00 0.00 O ATOM 644 OE2 GLU A 54 5.379 19.474 0.033 1.00 0.00 O ATOM 0 H GLU A 54 9.262 23.003 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 54 9.903 21.800 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.614 22.527 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.597 21.307 -1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.809 19.504 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.827 20.724 1.307 1.00 0.00 H new ATOM 651 N LEU A 55 9.772 19.732 -2.301 1.00 0.00 N ATOM 652 CA LEU A 55 10.146 18.382 -2.756 1.00 0.00 C ATOM 653 C LEU A 55 11.607 18.275 -3.001 1.00 0.00 C ATOM 654 O LEU A 55 12.180 17.197 -2.896 1.00 0.00 O ATOM 655 CB LEU A 55 9.401 18.014 -4.069 1.00 0.00 C ATOM 656 CG LEU A 55 7.997 17.365 -3.767 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.999 18.432 -3.263 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.478 16.649 -5.032 1.00 0.00 C ATOM 0 H LEU A 55 9.305 20.303 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 55 9.862 17.693 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.267 18.909 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.007 17.320 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 55 8.103 16.625 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.036 17.963 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.382 18.885 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.874 19.202 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.507 16.200 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.378 17.370 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.183 15.870 -5.324 1.00 0.00 H new ATOM 670 N LYS A 56 12.224 19.376 -3.361 1.00 0.00 N ATOM 671 CA LYS A 56 13.647 19.348 -3.687 1.00 0.00 C ATOM 672 C LYS A 56 14.499 18.750 -2.575 1.00 0.00 C ATOM 673 O LYS A 56 15.362 17.906 -2.826 1.00 0.00 O ATOM 674 CB LYS A 56 14.149 20.773 -3.971 1.00 0.00 C ATOM 675 CG LYS A 56 15.645 20.772 -4.360 1.00 0.00 C ATOM 676 CD LYS A 56 16.104 22.197 -4.731 1.00 0.00 C ATOM 677 CE LYS A 56 17.591 22.164 -5.131 1.00 0.00 C ATOM 678 NZ LYS A 56 18.386 21.657 -3.975 1.00 0.00 N ATOM 0 H LYS A 56 11.781 20.291 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 56 13.749 18.714 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.562 21.215 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.000 21.396 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.243 20.395 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.808 20.100 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.502 22.583 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.957 22.870 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.735 21.521 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.929 23.161 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.378 21.952 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 18.000 22.046 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.335 20.619 -3.948 1.00 0.00 H new ATOM 692 N CYS A 57 14.273 19.212 -1.353 1.00 0.00 N ATOM 693 CA CYS A 57 15.071 18.763 -0.202 1.00 0.00 C ATOM 694 C CYS A 57 14.914 17.274 0.034 1.00 0.00 C ATOM 695 O CYS A 57 15.575 16.709 0.896 1.00 0.00 O ATOM 696 CB CYS A 57 14.643 19.551 1.055 1.00 0.00 C ATOM 697 SG CYS A 57 12.914 19.189 1.466 1.00 0.00 S ATOM 0 H CYS A 57 13.550 19.894 -1.125 1.00 0.00 H new ATOM 0 HA CYS A 57 16.123 18.953 -0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.286 19.287 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.767 20.620 0.882 1.00 0.00 H new ATOM 0 HG CYS A 57 12.180 19.308 0.399 1.00 0.00 H new ATOM 703 N ARG A 58 14.009 16.640 -0.728 1.00 0.00 N ATOM 704 CA ARG A 58 13.719 15.198 -0.587 1.00 0.00 C ATOM 705 C ARG A 58 14.542 14.390 -1.554 1.00 0.00 C ATOM 706 O ARG A 58 14.247 13.231 -1.792 1.00 0.00 O ATOM 707 CB ARG A 58 12.203 14.949 -0.818 1.00 0.00 C ATOM 708 CG ARG A 58 11.351 15.941 0.039 1.00 0.00 C ATOM 709 CD ARG A 58 11.601 15.714 1.547 1.00 0.00 C ATOM 710 NE ARG A 58 10.601 16.420 2.330 1.00 0.00 N ATOM 711 CZ ARG A 58 10.619 16.381 3.664 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.555 15.700 4.287 1.00 0.00 N ATOM 713 NH2 ARG A 58 9.714 17.014 4.338 1.00 0.00 N ATOM 0 H ARG A 58 13.461 17.103 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 58 13.984 14.881 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.964 15.073 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.952 13.922 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.603 16.968 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.293 15.805 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.566 14.648 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.598 16.064 1.815 1.00 0.00 H new ATOM 0 HE ARG A 58 9.874 16.953 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.266 15.202 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.570 15.669 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.990 17.541 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.725 16.986 5.358 1.00 0.00 H new ATOM 727 N GLY A 59 15.583 15.016 -2.108 1.00 0.00 N ATOM 728 CA GLY A 59 16.476 14.345 -3.060 1.00 0.00 C ATOM 729 C GLY A 59 15.989 14.521 -4.481 1.00 0.00 C ATOM 730 O GLY A 59 16.621 14.036 -5.415 1.00 0.00 O ATOM 0 H GLY A 59 15.830 15.987 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.484 14.749 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.535 13.283 -2.821 1.00 0.00 H new ATOM 734 N HIS A 60 14.845 15.197 -4.648 1.00 0.00 N ATOM 735 CA HIS A 60 14.264 15.419 -5.981 1.00 0.00 C ATOM 736 C HIS A 60 14.940 16.617 -6.626 1.00 0.00 C ATOM 737 O HIS A 60 15.268 17.570 -5.938 1.00 0.00 O ATOM 738 CB HIS A 60 12.739 15.685 -5.852 1.00 0.00 C ATOM 739 CG HIS A 60 12.093 14.562 -5.089 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.765 13.846 -4.114 1.00 0.00 N ATOM 741 CD2 HIS A 60 10.834 14.033 -5.140 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.913 12.933 -3.622 1.00 0.00 C ATOM 743 NE2 HIS A 60 10.719 13.006 -4.212 1.00 0.00 N ATOM 0 H HIS A 60 14.305 15.598 -3.882 1.00 0.00 H new ATOM 0 HA HIS A 60 14.419 14.534 -6.599 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.567 16.632 -5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.290 15.771 -6.841 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.047 14.364 -5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.163 12.227 -2.844 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.898 12.431 -4.022 1.00 0.00 H new ATOM 751 N ALA A 61 15.134 16.562 -7.941 1.00 0.00 N ATOM 752 CA ALA A 61 15.766 17.660 -8.695 1.00 0.00 C ATOM 753 C ALA A 61 14.677 18.464 -9.393 1.00 0.00 C ATOM 754 O ALA A 61 13.581 17.957 -9.634 1.00 0.00 O ATOM 755 CB ALA A 61 16.745 17.080 -9.727 1.00 0.00 C ATOM 0 H ALA A 61 14.863 15.765 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 61 16.320 18.310 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.211 17.893 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.515 16.503 -9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.205 16.432 -10.417 1.00 0.00 H new ATOM 761 N ASP A 62 14.997 19.719 -9.708 1.00 0.00 N ATOM 762 CA ASP A 62 14.052 20.618 -10.369 1.00 0.00 C ATOM 763 C ASP A 62 13.672 20.087 -11.750 1.00 0.00 C ATOM 764 O ASP A 62 12.559 20.315 -12.222 1.00 0.00 O ATOM 765 CB ASP A 62 14.682 22.019 -10.517 1.00 0.00 C ATOM 766 CG ASP A 62 15.992 21.924 -11.316 1.00 0.00 C ATOM 767 OD1 ASP A 62 16.831 21.121 -10.942 1.00 0.00 O ATOM 768 OD2 ASP A 62 16.134 22.650 -12.290 1.00 0.00 O ATOM 0 H ASP A 62 15.907 20.137 -9.515 1.00 0.00 H new ATOM 0 HA ASP A 62 13.152 20.679 -9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.986 22.688 -11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.877 22.445 -9.533 1.00 0.00 H new ATOM 773 N ALA A 63 14.615 19.395 -12.397 1.00 0.00 N ATOM 774 CA ALA A 63 14.388 18.862 -13.741 1.00 0.00 C ATOM 775 C ALA A 63 13.410 17.701 -13.723 1.00 0.00 C ATOM 776 O ALA A 63 12.465 17.672 -14.513 1.00 0.00 O ATOM 777 CB ALA A 63 15.724 18.382 -14.343 1.00 0.00 C ATOM 0 H ALA A 63 15.538 19.192 -12.013 1.00 0.00 H new ATOM 0 HA ALA A 63 13.964 19.662 -14.348 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.551 17.986 -15.344 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.419 19.220 -14.400 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.148 17.601 -13.712 1.00 0.00 H new ATOM 783 N ASP A 64 13.647 16.734 -12.825 1.00 0.00 N ATOM 784 CA ASP A 64 12.806 15.538 -12.742 1.00 0.00 C ATOM 785 C ASP A 64 11.356 15.896 -12.512 1.00 0.00 C ATOM 786 O ASP A 64 10.455 15.190 -12.963 1.00 0.00 O ATOM 787 CB ASP A 64 13.300 14.628 -11.600 1.00 0.00 C ATOM 788 CG ASP A 64 12.512 13.307 -11.596 1.00 0.00 C ATOM 789 OD1 ASP A 64 12.715 12.529 -12.509 1.00 0.00 O ATOM 790 OD2 ASP A 64 11.711 13.110 -10.693 1.00 0.00 O ATOM 0 H ASP A 64 14.411 16.759 -12.150 1.00 0.00 H new ATOM 0 HA ASP A 64 12.880 15.011 -13.693 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.364 14.425 -11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.179 15.135 -10.643 1.00 0.00 H new ATOM 795 N ILE A 65 11.126 17.000 -11.794 1.00 0.00 N ATOM 796 CA ILE A 65 9.753 17.430 -11.498 1.00 0.00 C ATOM 797 C ILE A 65 8.969 17.613 -12.783 1.00 0.00 C ATOM 798 O ILE A 65 7.755 17.550 -12.792 1.00 0.00 O ATOM 799 CB ILE A 65 9.780 18.757 -10.695 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.258 18.483 -9.226 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.375 19.459 -10.691 1.00 0.00 C ATOM 802 CD1 ILE A 65 10.406 19.793 -8.433 1.00 0.00 C ATOM 0 H ILE A 65 11.856 17.603 -11.413 1.00 0.00 H new ATOM 0 HA ILE A 65 9.263 16.661 -10.900 1.00 0.00 H new ATOM 0 HB ILE A 65 10.483 19.432 -11.183 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.543 17.831 -8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.212 17.956 -9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.433 20.385 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.077 19.683 -11.715 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.639 18.797 -10.236 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.738 19.569 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.140 20.434 -8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.445 20.306 -8.395 1.00 0.00 H new ATOM 814 N GLU A 66 9.654 17.889 -13.869 1.00 0.00 N ATOM 815 CA GLU A 66 8.957 18.128 -15.131 1.00 0.00 C ATOM 816 C GLU A 66 8.044 16.946 -15.473 1.00 0.00 C ATOM 817 O GLU A 66 6.955 17.127 -16.013 1.00 0.00 O ATOM 818 CB GLU A 66 9.992 18.319 -16.244 1.00 0.00 C ATOM 819 CG GLU A 66 9.304 18.724 -17.579 1.00 0.00 C ATOM 820 CD GLU A 66 10.326 18.938 -18.687 1.00 0.00 C ATOM 821 OE1 GLU A 66 11.462 18.516 -18.528 1.00 0.00 O ATOM 822 OE2 GLU A 66 9.951 19.516 -19.692 1.00 0.00 O ATOM 0 H GLU A 66 10.671 17.955 -13.915 1.00 0.00 H new ATOM 0 HA GLU A 66 8.342 19.023 -15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.708 19.087 -15.952 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.554 17.396 -16.385 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.599 17.948 -17.877 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.728 19.638 -17.431 1.00 0.00 H new ATOM 829 N ALA A 67 8.521 15.744 -15.149 1.00 0.00 N ATOM 830 CA ALA A 67 7.777 14.516 -15.444 1.00 0.00 C ATOM 831 C ALA A 67 6.617 14.320 -14.490 1.00 0.00 C ATOM 832 O ALA A 67 5.513 13.983 -14.910 1.00 0.00 O ATOM 833 CB ALA A 67 8.717 13.300 -15.342 1.00 0.00 C ATOM 0 H ALA A 67 9.416 15.593 -14.684 1.00 0.00 H new ATOM 0 HA ALA A 67 7.380 14.607 -16.455 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.159 12.390 -15.562 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.532 13.409 -16.058 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.126 13.240 -14.333 1.00 0.00 H new ATOM 839 N VAL A 68 6.879 14.526 -13.193 1.00 0.00 N ATOM 840 CA VAL A 68 5.851 14.322 -12.169 1.00 0.00 C ATOM 841 C VAL A 68 4.679 15.257 -12.398 1.00 0.00 C ATOM 842 O VAL A 68 3.587 15.018 -11.909 1.00 0.00 O ATOM 843 CB VAL A 68 6.459 14.556 -10.743 1.00 0.00 C ATOM 844 CG1 VAL A 68 6.491 16.093 -10.377 1.00 0.00 C ATOM 845 CG2 VAL A 68 5.632 13.789 -9.672 1.00 0.00 C ATOM 0 H VAL A 68 7.783 14.830 -12.832 1.00 0.00 H new ATOM 0 HA VAL A 68 5.492 13.295 -12.237 1.00 0.00 H new ATOM 0 HB VAL A 68 7.482 14.180 -10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.918 16.221 -9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.101 16.628 -11.105 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.477 16.491 -10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.065 13.960 -8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.602 14.146 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.648 12.722 -9.895 1.00 0.00 H new ATOM 855 N PHE A 69 4.926 16.369 -13.089 1.00 0.00 N ATOM 856 CA PHE A 69 3.881 17.368 -13.313 1.00 0.00 C ATOM 857 C PHE A 69 2.768 16.768 -14.151 1.00 0.00 C ATOM 858 O PHE A 69 1.615 16.684 -13.721 1.00 0.00 O ATOM 859 CB PHE A 69 4.491 18.586 -14.032 1.00 0.00 C ATOM 860 CG PHE A 69 3.504 19.754 -13.937 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.461 20.530 -12.756 1.00 0.00 C ATOM 862 CD2 PHE A 69 2.617 20.052 -14.997 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.557 21.593 -12.641 1.00 0.00 C ATOM 864 CE2 PHE A 69 1.713 21.121 -14.875 1.00 0.00 C ATOM 865 CZ PHE A 69 1.684 21.892 -13.697 1.00 0.00 C ATOM 0 H PHE A 69 5.831 16.600 -13.500 1.00 0.00 H new ATOM 0 HA PHE A 69 3.465 17.686 -12.357 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.443 18.857 -13.576 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.695 18.346 -15.076 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.129 20.302 -11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.634 19.459 -15.899 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.532 22.184 -11.737 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.039 21.352 -15.687 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.989 22.714 -13.607 1.00 0.00 H new ATOM 875 N ALA A 70 3.149 16.343 -15.356 1.00 0.00 N ATOM 876 CA ALA A 70 2.200 15.737 -16.317 1.00 0.00 C ATOM 877 C ALA A 70 1.359 14.663 -15.642 1.00 0.00 C ATOM 878 O ALA A 70 0.301 14.242 -16.149 1.00 0.00 O ATOM 879 CB ALA A 70 2.952 15.108 -17.515 1.00 0.00 C ATOM 0 H ALA A 70 4.108 16.403 -15.699 1.00 0.00 H new ATOM 0 HA ALA A 70 1.549 16.533 -16.678 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.233 14.670 -18.207 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.526 15.879 -18.029 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.627 14.332 -17.154 1.00 0.00 H new ATOM 885 N LYS A 71 1.856 14.188 -14.482 1.00 0.00 N ATOM 886 CA LYS A 71 1.173 13.116 -13.784 1.00 0.00 C ATOM 887 C LYS A 71 -0.268 13.512 -13.501 1.00 0.00 C ATOM 888 O LYS A 71 -1.195 12.821 -13.932 1.00 0.00 O ATOM 889 CB LYS A 71 1.878 12.865 -12.432 1.00 0.00 C ATOM 890 CG LYS A 71 1.356 11.567 -11.767 1.00 0.00 C ATOM 891 CD LYS A 71 2.025 11.358 -10.386 1.00 0.00 C ATOM 892 CE LYS A 71 1.519 10.042 -9.770 1.00 0.00 C ATOM 893 NZ LYS A 71 1.901 8.923 -10.677 1.00 0.00 N ATOM 0 H LYS A 71 2.705 14.528 -14.030 1.00 0.00 H new ATOM 0 HA LYS A 71 1.195 12.220 -14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.954 12.791 -12.587 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.709 13.712 -11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.274 11.622 -11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.563 10.713 -12.411 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.109 11.329 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.793 12.194 -9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.953 9.894 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.437 10.074 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.965 8.040 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.182 8.818 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.823 9.128 -11.113 1.00 0.00 H new ATOM 907 N TYR A 72 -0.448 14.635 -12.782 1.00 0.00 N ATOM 908 CA TYR A 72 -1.802 15.087 -12.490 1.00 0.00 C ATOM 909 C TYR A 72 -2.181 16.159 -13.432 1.00 0.00 C ATOM 910 O TYR A 72 -3.265 16.048 -13.963 1.00 0.00 O ATOM 911 CB TYR A 72 -1.879 15.706 -11.069 1.00 0.00 C ATOM 912 CG TYR A 72 -1.764 14.586 -10.044 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.875 13.736 -9.827 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.571 14.372 -9.324 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.789 12.696 -8.901 1.00 0.00 C ATOM 916 CE2 TYR A 72 -0.499 13.325 -8.400 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.605 12.495 -8.193 1.00 0.00 C ATOM 918 OH TYR A 72 -1.528 11.472 -7.288 1.00 0.00 O ATOM 0 H TYR A 72 0.300 15.220 -12.409 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.462 14.224 -12.572 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.077 16.431 -10.928 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.820 16.242 -10.940 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.790 13.893 -10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.283 15.013 -9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.637 12.049 -8.733 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.412 13.157 -7.845 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.066 10.716 -7.603 1.00 0.00 H new ATOM 928 N ASP A 73 -1.271 17.152 -13.672 1.00 0.00 N ATOM 929 CA ASP A 73 -1.528 18.317 -14.572 1.00 0.00 C ATOM 930 C ASP A 73 -2.980 18.368 -15.059 1.00 0.00 C ATOM 931 O ASP A 73 -3.242 18.660 -16.246 1.00 0.00 O ATOM 932 CB ASP A 73 -0.591 18.253 -15.792 1.00 0.00 C ATOM 933 CG ASP A 73 -0.982 17.072 -16.707 1.00 0.00 C ATOM 934 OD1 ASP A 73 -1.463 16.072 -16.194 1.00 0.00 O ATOM 935 OD2 ASP A 73 -0.807 17.196 -17.913 1.00 0.00 O ATOM 0 H ASP A 73 -0.343 17.166 -13.248 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.337 19.219 -13.991 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.645 19.188 -16.350 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.441 18.139 -15.461 1.00 0.00 H new ATOM 940 N VAL A 74 -3.904 17.986 -14.161 1.00 0.00 N ATOM 941 CA VAL A 74 -5.311 17.874 -14.478 1.00 0.00 C ATOM 942 C VAL A 74 -5.710 19.053 -15.325 1.00 0.00 C ATOM 943 O VAL A 74 -6.140 18.877 -16.477 1.00 0.00 O ATOM 944 CB VAL A 74 -6.140 17.797 -13.159 1.00 0.00 C ATOM 945 CG1 VAL A 74 -5.736 18.956 -12.185 1.00 0.00 C ATOM 946 CG2 VAL A 74 -7.678 17.860 -13.483 1.00 0.00 C ATOM 0 H VAL A 74 -3.680 17.748 -13.195 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.509 16.963 -15.042 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.924 16.849 -12.667 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.325 18.885 -11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.677 18.874 -11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.924 19.917 -12.664 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.248 17.805 -12.555 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.904 18.796 -13.993 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.949 17.022 -14.125 1.00 0.00 H new ATOM 956 N ASP A 75 -5.544 20.244 -14.754 1.00 0.00 N ATOM 957 CA ASP A 75 -5.853 21.472 -15.442 1.00 0.00 C ATOM 958 C ASP A 75 -4.577 22.128 -15.902 1.00 0.00 C ATOM 959 O ASP A 75 -4.640 23.086 -16.654 1.00 0.00 O ATOM 960 CB ASP A 75 -6.624 22.436 -14.494 1.00 0.00 C ATOM 961 CG ASP A 75 -7.239 23.607 -15.292 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.088 23.640 -16.509 1.00 0.00 O ATOM 963 OD2 ASP A 75 -7.859 24.453 -14.674 1.00 0.00 O ATOM 0 H ASP A 75 -5.192 20.373 -13.805 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.479 21.248 -16.306 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.411 21.890 -13.974 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.948 22.824 -13.732 1.00 0.00 H new ATOM 968 N GLY A 76 -3.411 21.610 -15.444 1.00 0.00 N ATOM 969 CA GLY A 76 -2.107 22.159 -15.817 1.00 0.00 C ATOM 970 C GLY A 76 -2.130 23.682 -15.865 1.00 0.00 C ATOM 971 O GLY A 76 -1.404 24.305 -16.643 1.00 0.00 O ATOM 0 H GLY A 76 -3.359 20.810 -14.814 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.355 21.829 -15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.813 21.769 -16.791 1.00 0.00 H new ATOM 975 N ASP A 77 -3.000 24.273 -15.038 1.00 0.00 N ATOM 976 CA ASP A 77 -3.166 25.732 -14.989 1.00 0.00 C ATOM 977 C ASP A 77 -2.156 26.331 -14.043 1.00 0.00 C ATOM 978 O ASP A 77 -2.346 27.428 -13.525 1.00 0.00 O ATOM 979 CB ASP A 77 -4.597 26.091 -14.512 1.00 0.00 C ATOM 980 CG ASP A 77 -4.837 27.605 -14.653 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.935 28.056 -15.782 1.00 0.00 O ATOM 982 OD2 ASP A 77 -4.891 28.285 -13.639 1.00 0.00 O ATOM 0 H ASP A 77 -3.602 23.763 -14.392 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.011 26.136 -15.989 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.333 25.542 -15.099 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.729 25.789 -13.473 1.00 0.00 H new ATOM 987 N ARG A 78 -1.085 25.595 -13.802 1.00 0.00 N ATOM 988 CA ARG A 78 -0.030 26.047 -12.901 1.00 0.00 C ATOM 989 C ARG A 78 -0.557 26.277 -11.487 1.00 0.00 C ATOM 990 O ARG A 78 0.183 26.699 -10.604 1.00 0.00 O ATOM 991 CB ARG A 78 0.601 27.373 -13.440 1.00 0.00 C ATOM 992 CG ARG A 78 2.042 27.615 -12.830 1.00 0.00 C ATOM 993 CD ARG A 78 3.106 27.210 -13.861 1.00 0.00 C ATOM 994 NE ARG A 78 2.850 25.839 -14.350 1.00 0.00 N ATOM 995 CZ ARG A 78 3.602 25.285 -15.298 1.00 0.00 C ATOM 996 NH1 ARG A 78 4.578 25.967 -15.825 1.00 0.00 N ATOM 997 NH2 ARG A 78 3.356 24.067 -15.707 1.00 0.00 N ATOM 0 H ARG A 78 -0.919 24.678 -14.217 1.00 0.00 H new ATOM 0 HA ARG A 78 0.727 25.263 -12.860 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.667 27.331 -14.527 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.047 28.214 -13.192 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.163 28.664 -12.559 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.165 27.033 -11.916 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.097 27.909 -14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.097 27.264 -13.411 1.00 0.00 H new ATOM 0 HE ARG A 78 2.078 25.304 -13.951 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.762 26.920 -15.511 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.158 25.548 -16.552 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.585 23.538 -15.299 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.935 23.646 -16.434 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.853 26.036 -11.290 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.500 26.252 -9.991 1.00 0.00 C ATOM 1013 C VAL A 79 -3.536 25.188 -9.776 1.00 0.00 C ATOM 1014 O VAL A 79 -4.359 24.980 -10.658 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.182 27.641 -9.961 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -3.777 27.902 -8.538 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.147 28.746 -10.327 1.00 0.00 C ATOM 0 H VAL A 79 -2.480 25.689 -12.016 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.748 26.207 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.990 27.665 -10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.257 28.880 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.513 27.132 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.977 27.875 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.633 29.721 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.329 28.731 -9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.754 28.560 -11.326 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.501 24.564 -8.587 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.428 23.497 -8.191 1.00 0.00 C ATOM 1029 C LEU A 80 -4.860 23.716 -6.782 1.00 0.00 C ATOM 1030 O LEU A 80 -4.206 23.284 -5.837 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.732 22.109 -8.359 1.00 0.00 C ATOM 1032 CG LEU A 80 -3.573 21.741 -9.897 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -4.932 21.931 -10.672 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -2.383 22.528 -10.607 1.00 0.00 C ATOM 0 H LEU A 80 -2.817 24.792 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.312 23.514 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.752 22.128 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.317 21.340 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.304 20.685 -9.935 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.792 21.672 -11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.693 21.283 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.253 22.970 -10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.326 22.233 -11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.566 23.601 -10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.442 22.289 -10.111 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.006 24.385 -6.657 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.563 24.679 -5.371 1.00 0.00 C ATOM 1048 C ASP A 81 -6.904 23.387 -4.618 1.00 0.00 C ATOM 1049 O ASP A 81 -6.556 22.257 -5.043 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.803 25.602 -5.535 1.00 0.00 C ATOM 1051 CG ASP A 81 -8.138 26.268 -4.188 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -7.271 26.941 -3.667 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -9.244 26.086 -3.697 1.00 0.00 O ATOM 0 H ASP A 81 -6.556 24.728 -7.445 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.824 25.210 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.604 26.364 -6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.656 25.022 -5.886 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.600 23.554 -3.510 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.051 22.475 -2.646 1.00 0.00 C ATOM 1060 C ALA A 82 -9.009 21.540 -3.376 1.00 0.00 C ATOM 1061 O ALA A 82 -9.351 20.470 -2.870 1.00 0.00 O ATOM 1062 CB ALA A 82 -8.714 23.016 -1.366 1.00 0.00 C ATOM 0 H ALA A 82 -7.878 24.476 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.166 21.907 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.039 22.182 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.997 23.623 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.576 23.627 -1.633 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.497 21.976 -4.541 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.483 21.204 -5.313 1.00 0.00 C ATOM 1070 C GLU A 83 -9.885 19.952 -5.927 1.00 0.00 C ATOM 1071 O GLU A 83 -10.414 18.848 -5.756 1.00 0.00 O ATOM 1072 CB GLU A 83 -11.098 22.136 -6.405 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.101 23.143 -5.757 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.371 24.081 -4.784 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.151 23.681 -3.650 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -11.058 25.190 -5.181 1.00 0.00 O ATOM 0 H GLU A 83 -9.227 22.860 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.265 20.858 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.305 22.681 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.610 21.537 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.592 23.728 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.882 22.597 -5.228 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.797 20.115 -6.650 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.124 18.992 -7.312 1.00 0.00 C ATOM 1085 C GLU A 84 -7.226 18.301 -6.327 1.00 0.00 C ATOM 1086 O GLU A 84 -6.884 17.149 -6.508 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.310 19.482 -8.527 1.00 0.00 C ATOM 1088 CG GLU A 84 -8.264 20.086 -9.608 1.00 0.00 C ATOM 1089 CD GLU A 84 -8.888 21.393 -9.100 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -8.142 22.220 -8.602 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -10.094 21.553 -9.228 1.00 0.00 O ATOM 0 H GLU A 84 -8.348 21.018 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.876 18.290 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.586 20.233 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.744 18.653 -8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.710 20.273 -10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.050 19.370 -9.850 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.842 19.023 -5.277 1.00 0.00 N ATOM 1099 CA GLN A 85 -5.950 18.455 -4.263 1.00 0.00 C ATOM 1100 C GLN A 85 -6.609 17.280 -3.559 1.00 0.00 C ATOM 1101 O GLN A 85 -6.002 16.230 -3.369 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.558 19.529 -3.238 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.328 19.065 -2.404 1.00 0.00 C ATOM 1104 CD GLN A 85 -3.965 20.120 -1.373 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -4.318 19.994 -0.200 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -3.291 21.164 -1.752 1.00 0.00 N ATOM 0 H GLN A 85 -7.127 19.987 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.051 18.096 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.325 20.462 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.399 19.731 -2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.552 18.122 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.480 18.884 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.003 21.259 -2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.050 21.888 -1.076 1.00 0.00 H new ATOM 1115 N MET A 86 -7.863 17.469 -3.160 1.00 0.00 N ATOM 1116 CA MET A 86 -8.598 16.407 -2.463 1.00 0.00 C ATOM 1117 C MET A 86 -8.487 15.098 -3.240 1.00 0.00 C ATOM 1118 O MET A 86 -8.300 14.015 -2.668 1.00 0.00 O ATOM 1119 CB MET A 86 -10.087 16.798 -2.335 1.00 0.00 C ATOM 1120 CG MET A 86 -10.852 15.804 -1.401 1.00 0.00 C ATOM 1121 SD MET A 86 -10.334 16.088 0.319 1.00 0.00 S ATOM 1122 CE MET A 86 -11.602 17.291 0.775 1.00 0.00 C ATOM 0 H MET A 86 -8.389 18.331 -3.302 1.00 0.00 H new ATOM 0 HA MET A 86 -8.168 16.276 -1.470 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.168 17.810 -1.938 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.551 16.805 -3.322 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.928 15.948 -1.499 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.641 14.775 -1.693 1.00 0.00 H new ATOM 0 HE1 MET A 86 -11.458 17.597 1.811 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.526 18.163 0.126 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.588 16.840 0.664 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.595 15.223 -4.559 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.514 14.069 -5.430 1.00 0.00 C ATOM 1134 C LYS A 87 -7.116 13.456 -5.411 1.00 0.00 C ATOM 1135 O LYS A 87 -6.959 12.240 -5.459 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.890 14.473 -6.870 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.921 13.201 -7.815 1.00 0.00 C ATOM 1138 CD LYS A 87 -7.676 13.165 -8.743 1.00 0.00 C ATOM 1139 CE LYS A 87 -7.687 11.886 -9.589 1.00 0.00 C ATOM 1140 NZ LYS A 87 -6.514 11.903 -10.480 1.00 0.00 N ATOM 0 H LYS A 87 -8.738 16.110 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.216 13.319 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.865 14.960 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.170 15.198 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.954 12.295 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.828 13.214 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.671 14.040 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.766 13.207 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.661 11.006 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.605 11.827 -10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.507 11.041 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.560 12.737 -11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.645 11.943 -9.910 1.00 0.00 H new ATOM 1154 N MET A 88 -6.095 14.323 -5.345 1.00 0.00 N ATOM 1155 CA MET A 88 -4.693 13.865 -5.333 1.00 0.00 C ATOM 1156 C MET A 88 -4.451 12.968 -4.135 1.00 0.00 C ATOM 1157 O MET A 88 -4.111 11.805 -4.300 1.00 0.00 O ATOM 1158 CB MET A 88 -3.735 15.080 -5.281 1.00 0.00 C ATOM 1159 CG MET A 88 -3.801 15.860 -6.606 1.00 0.00 C ATOM 1160 SD MET A 88 -2.776 17.341 -6.483 1.00 0.00 S ATOM 1161 CE MET A 88 -3.361 18.137 -7.997 1.00 0.00 C ATOM 0 H MET A 88 -6.209 15.336 -5.299 1.00 0.00 H new ATOM 0 HA MET A 88 -4.500 13.301 -6.246 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.007 15.733 -4.451 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.715 14.742 -5.099 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.455 15.233 -7.428 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.832 16.136 -6.827 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.851 19.091 -8.127 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.150 17.494 -8.851 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.435 18.307 -7.927 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.642 13.513 -2.928 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.429 12.742 -1.697 1.00 0.00 C ATOM 1173 C ALA A 89 -5.121 11.383 -1.773 1.00 0.00 C ATOM 1174 O ALA A 89 -4.581 10.371 -1.314 1.00 0.00 O ATOM 1175 CB ALA A 89 -4.958 13.537 -0.484 1.00 0.00 C ATOM 0 H ALA A 89 -4.941 14.476 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.359 12.571 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.798 12.960 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.427 14.486 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.024 13.727 -0.610 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.315 11.373 -2.374 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.083 10.136 -2.531 1.00 0.00 C ATOM 1183 C HIS A 90 -6.450 9.256 -3.610 1.00 0.00 C ATOM 1184 O HIS A 90 -6.529 8.030 -3.546 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.537 10.470 -2.923 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.346 9.199 -3.019 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.959 8.634 -1.914 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -9.605 8.356 -4.068 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.553 7.497 -2.318 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.369 7.280 -3.624 1.00 0.00 N ATOM 0 H HIS A 90 -6.768 12.203 -2.757 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.078 9.596 -1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.978 11.138 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.554 10.996 -3.878 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.268 8.504 -5.083 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.110 6.840 -1.667 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.714 6.495 -4.176 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.842 9.891 -4.621 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.232 9.155 -5.729 1.00 0.00 C ATOM 1200 C ASP A 91 -4.033 8.345 -5.265 1.00 0.00 C ATOM 1201 O ASP A 91 -3.827 7.214 -5.698 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.797 10.136 -6.843 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.383 9.361 -8.102 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -5.260 9.026 -8.875 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -3.197 9.104 -8.256 1.00 0.00 O ATOM 0 H ASP A 91 -5.761 10.905 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.979 8.464 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.616 10.816 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.965 10.748 -6.494 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.225 8.948 -4.392 1.00 0.00 N ATOM 1211 CA LEU A 92 -1.999 8.302 -3.890 1.00 0.00 C ATOM 1212 C LEU A 92 -2.292 6.914 -3.341 1.00 0.00 C ATOM 1213 O LEU A 92 -1.701 5.914 -3.772 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.376 9.180 -2.777 1.00 0.00 C ATOM 1215 CG LEU A 92 -1.069 10.623 -3.301 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.496 11.492 -2.156 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.080 10.594 -4.516 1.00 0.00 C ATOM 0 H LEU A 92 -3.392 9.881 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.300 8.198 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.059 9.236 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.457 8.718 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.004 11.063 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.286 12.494 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.223 11.552 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.425 11.043 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.111 11.612 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.858 10.131 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.520 10.018 -5.330 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.221 6.856 -2.405 1.00 0.00 N ATOM 1230 CA GLU A 93 -3.617 5.588 -1.799 1.00 0.00 C ATOM 1231 C GLU A 93 -4.324 4.715 -2.838 1.00 0.00 C ATOM 1232 O GLU A 93 -4.080 3.504 -2.922 1.00 0.00 O ATOM 1233 CB GLU A 93 -4.545 5.859 -0.590 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.731 6.786 -0.995 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.589 7.108 0.221 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.397 6.274 0.577 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.428 8.188 0.769 1.00 0.00 O ATOM 0 H GLU A 93 -3.719 7.670 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.731 5.058 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.931 4.915 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.974 6.323 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.348 7.708 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.338 6.299 -1.758 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.218 5.324 -3.618 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.985 4.586 -4.623 1.00 0.00 C ATOM 1246 C GLY A 94 -5.056 3.856 -5.566 1.00 0.00 C ATOM 1247 O GLY A 94 -5.289 2.702 -5.912 1.00 0.00 O ATOM 0 H GLY A 94 -5.428 6.321 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.648 3.874 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.616 5.274 -5.185 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.994 4.549 -5.979 1.00 0.00 N ATOM 1252 CA GLN A 95 -3.012 3.968 -6.884 1.00 0.00 C ATOM 1253 C GLN A 95 -2.226 2.878 -6.191 1.00 0.00 C ATOM 1254 O GLN A 95 -1.844 1.896 -6.812 1.00 0.00 O ATOM 1255 CB GLN A 95 -2.043 5.060 -7.396 1.00 0.00 C ATOM 1256 CG GLN A 95 -1.153 4.499 -8.548 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.229 5.581 -9.078 1.00 0.00 C ATOM 1258 OE1 GLN A 95 0.967 5.588 -8.779 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.726 6.508 -9.840 1.00 0.00 N ATOM 0 H GLN A 95 -3.796 5.510 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.545 3.534 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.610 5.921 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.413 5.409 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.565 3.656 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.784 4.124 -9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.717 6.493 -10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.125 7.251 -10.197 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.968 3.065 -4.895 1.00 0.00 N ATOM 1269 CA LYS A 96 -1.185 2.101 -4.128 1.00 0.00 C ATOM 1270 C LYS A 96 -1.878 0.745 -4.107 1.00 0.00 C ATOM 1271 O LYS A 96 -1.231 -0.297 -4.022 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.996 2.615 -2.686 1.00 0.00 C ATOM 1273 CG LYS A 96 0.046 1.743 -1.938 1.00 0.00 C ATOM 1274 CD LYS A 96 0.257 2.262 -0.501 1.00 0.00 C ATOM 1275 CE LYS A 96 1.305 1.394 0.217 1.00 0.00 C ATOM 1276 NZ LYS A 96 1.481 1.904 1.588 1.00 0.00 N ATOM 0 H LYS A 96 -2.289 3.871 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.211 1.985 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.666 3.654 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.948 2.591 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.292 0.707 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.993 1.755 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.586 3.301 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.685 2.238 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.982 0.353 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.252 1.422 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.188 1.326 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.805 2.892 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.575 1.855 2.096 1.00 0.00 H new ATOM 1290 N SER A 97 -3.207 0.773 -4.164 1.00 0.00 N ATOM 1291 CA SER A 97 -3.996 -0.463 -4.139 1.00 0.00 C ATOM 1292 C SER A 97 -3.589 -1.389 -5.285 1.00 0.00 C ATOM 1293 O SER A 97 -3.561 -2.609 -5.129 1.00 0.00 O ATOM 1294 CB SER A 97 -5.486 -0.134 -4.255 1.00 0.00 C ATOM 1295 OG SER A 97 -6.229 -1.339 -4.173 1.00 0.00 O ATOM 0 H SER A 97 -3.759 1.628 -4.227 1.00 0.00 H new ATOM 0 HA SER A 97 -3.806 -0.970 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.785 0.548 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.688 0.370 -5.200 1.00 0.00 H new ATOM 0 HG SER A 97 -7.186 -1.139 -4.245 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.272 -0.792 -6.437 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.866 -1.565 -7.617 1.00 0.00 C ATOM 1303 C ASP A 98 -1.560 -2.296 -7.351 1.00 0.00 C ATOM 1304 O ASP A 98 -1.355 -3.424 -7.803 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.707 -0.613 -8.830 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.052 0.057 -9.139 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -4.992 -0.668 -9.415 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.124 1.278 -9.090 1.00 0.00 O ATOM 0 H ASP A 98 -3.288 0.218 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.635 -2.306 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.953 0.144 -8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.359 -1.171 -9.699 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.667 -1.638 -6.609 1.00 0.00 N ATOM 1314 CA LEU A 99 0.651 -2.215 -6.291 1.00 0.00 C ATOM 1315 C LEU A 99 0.528 -3.398 -5.389 1.00 0.00 C ATOM 1316 O LEU A 99 1.261 -4.386 -5.543 1.00 0.00 O ATOM 1317 CB LEU A 99 1.585 -1.130 -5.671 1.00 0.00 C ATOM 1318 CG LEU A 99 2.231 -0.244 -6.794 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.311 -1.050 -7.592 1.00 0.00 C ATOM 1320 CD2 LEU A 99 1.124 0.312 -7.769 1.00 0.00 C ATOM 0 H LEU A 99 -0.826 -0.710 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 99 1.099 -2.564 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.015 -0.501 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.368 -1.610 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 99 2.725 0.601 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.743 -0.413 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.096 -1.379 -6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.846 -1.919 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.592 0.924 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.599 -0.521 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.415 0.919 -7.206 1.00 0.00 H new ATOM 1332 N ASN A 100 -0.383 -3.299 -4.437 1.00 0.00 N ATOM 1333 CA ASN A 100 -0.580 -4.373 -3.488 1.00 0.00 C ATOM 1334 C ASN A 100 -0.737 -5.711 -4.230 1.00 0.00 C ATOM 1335 O ASN A 100 -0.164 -6.732 -3.849 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.834 -4.079 -2.644 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.705 -2.730 -1.930 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.657 -2.084 -1.977 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -2.720 -2.271 -1.265 1.00 0.00 N ATOM 0 H ASN A 100 -0.992 -2.492 -4.303 1.00 0.00 H new ATOM 0 HA ASN A 100 0.287 -4.443 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.716 -4.074 -3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.978 -4.872 -1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.650 -1.376 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.588 -2.805 -1.226 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.500 -5.681 -5.318 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.718 -6.887 -6.119 1.00 0.00 C ATOM 1348 C ASN A 101 -0.436 -7.316 -6.816 1.00 0.00 C ATOM 1349 O ASN A 101 -0.065 -8.492 -6.773 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.810 -6.622 -7.169 1.00 0.00 C ATOM 1351 CG ASN A 101 -4.088 -6.171 -6.472 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.783 -6.986 -5.868 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.432 -4.913 -6.506 1.00 0.00 N ATOM 0 H ASN A 101 -1.974 -4.847 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.034 -7.689 -5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.477 -5.857 -7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.999 -7.526 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.280 -4.603 -6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.853 -4.239 -7.008 1.00 0.00 H new ATOM 1360 N GLN A 102 0.237 -6.351 -7.471 1.00 0.00 N ATOM 1361 CA GLN A 102 1.470 -6.649 -8.204 1.00 0.00 C ATOM 1362 C GLN A 102 2.431 -7.436 -7.322 1.00 0.00 C ATOM 1363 O GLN A 102 2.989 -8.441 -7.759 1.00 0.00 O ATOM 1364 CB GLN A 102 2.127 -5.330 -8.687 1.00 0.00 C ATOM 1365 CG GLN A 102 1.238 -4.645 -9.756 1.00 0.00 C ATOM 1366 CD GLN A 102 1.886 -3.349 -10.227 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.279 -2.278 -10.151 1.00 0.00 O ATOM 1368 NE2 GLN A 102 3.105 -3.385 -10.690 1.00 0.00 N ATOM 0 H GLN A 102 -0.052 -5.373 -7.505 1.00 0.00 H new ATOM 0 HA GLN A 102 1.229 -7.258 -9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.273 -4.658 -7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.113 -5.538 -9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.092 -5.316 -10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.252 -4.437 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.602 -4.274 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.562 -2.524 -10.992 1.00 0.00 H new ATOM 1377 N LEU A 103 2.603 -6.974 -6.081 1.00 0.00 N ATOM 1378 CA LEU A 103 3.498 -7.636 -5.125 1.00 0.00 C ATOM 1379 C LEU A 103 3.493 -6.876 -3.803 1.00 0.00 C ATOM 1380 O LEU A 103 4.446 -6.191 -3.462 1.00 0.00 O ATOM 1381 CB LEU A 103 4.954 -7.682 -5.692 1.00 0.00 C ATOM 1382 CG LEU A 103 5.391 -6.230 -6.219 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.620 -5.697 -5.437 1.00 0.00 C ATOM 1384 CD2 LEU A 103 5.723 -6.278 -7.744 1.00 0.00 C ATOM 0 H LEU A 103 2.135 -6.145 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 103 3.146 -8.655 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.643 -8.018 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.012 -8.405 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 103 4.553 -5.553 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.893 -4.712 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.373 -5.623 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.459 -6.381 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.017 -5.285 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.541 -6.978 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.843 -6.605 -8.298 1.00 0.00 H new