USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 508 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 58 ASN : amide:sc= -0.211 K(o=0.61,f=-4.8!) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.823 K(o=0.61,f=-0.93) USER MOD Set 2.1: A 42 THR OG1 : rot -170:sc= 0.558 USER MOD Set 2.2: A 44 LYS NZ :NH3+ -158:sc= 0.183 (180deg=-0.107) USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0.105 USER MOD Set 3.2: A 21 ASN : amide:sc= 1.28 K(o=1.4,f=-1.1) USER MOD Single : A 5 TYR OH : rot 26:sc= 1.19 USER MOD Single : A 6 SER OG : rot 101:sc= 0.0424 USER MOD Single : A 7 SER OG : rot 180:sc= 0.105 USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 0.811 (180deg=-1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0.661 (180deg=0.463) USER MOD Single : A 16 CYS SG : rot 120:sc= -0.566 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -174:sc= -1.83 (180deg=-1.92) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -170:sc= -1.34 USER MOD Single : A 34 SER OG : rot 87:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 1.81 (180deg=1.75) USER MOD Single : A 38 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.82) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.574 K(o=0.57,f=-1.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 30:sc= -0.0112 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 4.446 13.040 -4.362 1.00 0.00 N ATOM 81 CA TYR A 5 3.685 14.184 -4.803 1.00 0.00 C ATOM 82 C TYR A 5 3.986 15.277 -3.826 1.00 0.00 C ATOM 83 O TYR A 5 3.303 16.277 -3.764 1.00 0.00 O ATOM 84 CB TYR A 5 2.168 13.914 -4.814 1.00 0.00 C ATOM 85 CG TYR A 5 1.702 12.855 -5.788 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.374 11.590 -5.349 1.00 0.00 C ATOM 87 CD2 TYR A 5 1.578 13.131 -7.144 1.00 0.00 C ATOM 88 CE1 TYR A 5 0.934 10.623 -6.219 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.140 12.162 -8.028 1.00 0.00 C ATOM 90 CZ TYR A 5 0.820 10.908 -7.556 1.00 0.00 C ATOM 91 OH TYR A 5 0.359 9.940 -8.419 1.00 0.00 O ATOM 0 HA TYR A 5 3.960 14.440 -5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.862 13.620 -3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.652 14.846 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.465 11.355 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.827 14.115 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.678 9.640 -5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.049 12.387 -9.080 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.208 9.308 -7.929 1.00 0.00 H new ATOM 101 N SER A 6 5.063 15.063 -3.087 1.00 0.00 N ATOM 102 CA SER A 6 5.518 15.903 -1.998 1.00 0.00 C ATOM 103 C SER A 6 5.609 17.376 -2.403 1.00 0.00 C ATOM 104 O SER A 6 5.151 18.257 -1.662 1.00 0.00 O ATOM 105 CB SER A 6 6.874 15.372 -1.563 1.00 0.00 C ATOM 106 OG SER A 6 6.799 13.953 -1.415 1.00 0.00 O ATOM 0 H SER A 6 5.671 14.259 -3.240 1.00 0.00 H new ATOM 0 HA SER A 6 4.801 15.866 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.633 15.633 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.173 15.832 -0.621 1.00 0.00 H new ATOM 0 HG SER A 6 7.188 13.521 -2.204 1.00 0.00 H new ATOM 112 N SER A 7 6.158 17.617 -3.577 1.00 0.00 N ATOM 113 CA SER A 7 6.312 18.938 -4.145 1.00 0.00 C ATOM 114 C SER A 7 4.947 19.628 -4.254 1.00 0.00 C ATOM 115 O SER A 7 4.764 20.791 -3.857 1.00 0.00 O ATOM 116 CB SER A 7 6.880 18.726 -5.526 1.00 0.00 C ATOM 117 OG SER A 7 7.841 17.679 -5.472 1.00 0.00 O ATOM 0 H SER A 7 6.519 16.876 -4.178 1.00 0.00 H new ATOM 0 HA SER A 7 6.956 19.565 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.084 18.472 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.342 19.644 -5.889 1.00 0.00 H new ATOM 0 HG SER A 7 8.215 17.532 -6.366 1.00 0.00 H new ATOM 123 N LEU A 8 3.992 18.878 -4.741 1.00 0.00 N ATOM 124 CA LEU A 8 2.656 19.351 -4.952 1.00 0.00 C ATOM 125 C LEU A 8 1.939 19.499 -3.656 1.00 0.00 C ATOM 126 O LEU A 8 1.356 20.530 -3.400 1.00 0.00 O ATOM 127 CB LEU A 8 1.911 18.395 -5.854 1.00 0.00 C ATOM 128 CG LEU A 8 0.449 18.722 -6.137 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.288 20.122 -6.707 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.111 17.704 -7.077 1.00 0.00 C ATOM 0 H LEU A 8 4.128 17.902 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 8 2.704 20.330 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.439 18.344 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.958 17.401 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.101 18.693 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.767 20.319 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.671 20.852 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.845 20.201 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.157 17.934 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.454 17.720 -8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.039 16.714 -6.626 1.00 0.00 H new ATOM 142 N LEU A 9 2.022 18.482 -2.838 1.00 0.00 N ATOM 143 CA LEU A 9 1.380 18.434 -1.570 1.00 0.00 C ATOM 144 C LEU A 9 1.750 19.642 -0.692 1.00 0.00 C ATOM 145 O LEU A 9 0.931 20.127 0.087 1.00 0.00 O ATOM 146 CB LEU A 9 1.746 17.131 -0.878 1.00 0.00 C ATOM 147 CG LEU A 9 1.227 15.826 -1.503 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.708 14.625 -0.704 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.293 15.823 -1.595 1.00 0.00 C ATOM 0 H LEU A 9 2.559 17.641 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 9 0.302 18.478 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.833 17.071 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.381 17.181 0.148 1.00 0.00 H new ATOM 0 HG LEU A 9 1.627 15.760 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.331 13.710 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.798 14.605 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.340 14.698 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.629 14.887 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.718 15.922 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.622 16.658 -2.214 1.00 0.00 H new ATOM 161 N GLY A 10 2.978 20.118 -0.831 1.00 0.00 N ATOM 162 CA GLY A 10 3.404 21.293 -0.102 1.00 0.00 C ATOM 163 C GLY A 10 2.758 22.559 -0.651 1.00 0.00 C ATOM 164 O GLY A 10 2.321 23.429 0.108 1.00 0.00 O ATOM 0 H GLY A 10 3.689 19.710 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.148 21.181 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.489 21.383 -0.159 1.00 0.00 H new ATOM 168 N LYS A 11 2.661 22.633 -1.969 1.00 0.00 N ATOM 169 CA LYS A 11 2.097 23.756 -2.659 1.00 0.00 C ATOM 170 C LYS A 11 0.574 23.798 -2.475 1.00 0.00 C ATOM 171 O LYS A 11 -0.028 24.875 -2.447 1.00 0.00 O ATOM 172 CB LYS A 11 2.484 23.641 -4.127 1.00 0.00 C ATOM 173 CG LYS A 11 1.940 24.717 -5.017 1.00 0.00 C ATOM 174 CD LYS A 11 2.395 26.145 -4.646 1.00 0.00 C ATOM 175 CE LYS A 11 3.890 26.428 -4.887 1.00 0.00 C ATOM 176 NZ LYS A 11 4.784 25.847 -3.855 1.00 0.00 N ATOM 0 H LYS A 11 2.982 21.892 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 11 2.484 24.690 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.571 23.646 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.144 22.676 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.241 24.509 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.851 24.678 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.807 26.860 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.171 26.321 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.172 26.033 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.045 27.506 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.504 26.547 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.224 25.586 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.251 25.000 -4.237 1.00 0.00 H new ATOM 190 N ILE A 12 -0.033 22.627 -2.333 1.00 0.00 N ATOM 191 CA ILE A 12 -1.468 22.516 -2.089 1.00 0.00 C ATOM 192 C ILE A 12 -1.835 23.245 -0.802 1.00 0.00 C ATOM 193 O ILE A 12 -2.813 23.987 -0.760 1.00 0.00 O ATOM 194 CB ILE A 12 -1.943 21.030 -2.007 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.739 20.316 -3.349 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.404 20.945 -1.581 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.180 18.861 -3.351 1.00 0.00 C ATOM 0 H ILE A 12 0.451 21.731 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.976 22.977 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.336 20.530 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.290 20.853 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.684 20.365 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.708 19.900 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.524 21.404 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.026 21.470 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.003 18.428 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.611 18.307 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.243 18.803 -3.115 1.00 0.00 H new ATOM 209 N THR A 13 -1.017 23.081 0.215 1.00 0.00 N ATOM 210 CA THR A 13 -1.240 23.719 1.491 1.00 0.00 C ATOM 211 C THR A 13 -1.169 25.238 1.339 1.00 0.00 C ATOM 212 O THR A 13 -1.956 25.984 1.918 1.00 0.00 O ATOM 213 CB THR A 13 -0.147 23.314 2.464 1.00 0.00 C ATOM 214 OG1 THR A 13 0.112 21.898 2.331 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.579 23.626 3.894 1.00 0.00 C ATOM 0 H THR A 13 -0.179 22.501 0.179 1.00 0.00 H new ATOM 0 HA THR A 13 -2.221 23.415 1.856 1.00 0.00 H new ATOM 0 HB THR A 13 0.761 23.874 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.819 21.634 2.957 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.211 23.332 4.585 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.768 24.695 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.489 23.074 4.128 1.00 0.00 H new ATOM 223 N GLU A 14 -0.261 25.657 0.509 1.00 0.00 N ATOM 224 CA GLU A 14 0.033 27.044 0.304 1.00 0.00 C ATOM 225 C GLU A 14 -1.056 27.768 -0.469 1.00 0.00 C ATOM 226 O GLU A 14 -1.267 28.962 -0.284 1.00 0.00 O ATOM 227 CB GLU A 14 1.335 27.159 -0.421 1.00 0.00 C ATOM 228 CG GLU A 14 2.533 26.628 0.323 1.00 0.00 C ATOM 229 CD GLU A 14 3.801 26.739 -0.482 1.00 0.00 C ATOM 230 OE1 GLU A 14 4.533 27.730 -0.322 1.00 0.00 O ATOM 231 OE2 GLU A 14 4.098 25.847 -1.287 1.00 0.00 O ATOM 0 H GLU A 14 0.309 25.029 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 14 0.092 27.521 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.252 26.629 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.510 28.209 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.650 27.176 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.362 25.584 0.585 1.00 0.00 H new ATOM 238 N LYS A 15 -1.730 27.063 -1.338 1.00 0.00 N ATOM 239 CA LYS A 15 -2.710 27.653 -2.146 1.00 0.00 C ATOM 240 C LYS A 15 -4.090 27.375 -1.666 1.00 0.00 C ATOM 241 O LYS A 15 -4.891 28.287 -1.460 1.00 0.00 O ATOM 242 CB LYS A 15 -2.549 27.125 -3.532 1.00 0.00 C ATOM 243 CG LYS A 15 -1.950 28.112 -4.470 1.00 0.00 C ATOM 244 CD LYS A 15 -0.537 28.471 -4.075 1.00 0.00 C ATOM 245 CE LYS A 15 -0.016 29.560 -4.960 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.793 30.816 -4.804 1.00 0.00 N ATOM 0 H LYS A 15 -1.599 26.063 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.575 28.734 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.922 26.234 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.523 26.817 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.953 27.702 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.563 29.013 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.513 28.795 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.104 27.593 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.032 29.749 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.056 29.234 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.361 31.565 -5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.773 30.659 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.790 31.104 -3.805 1.00 0.00 H new ATOM 260 N CYS A 16 -4.350 26.145 -1.428 1.00 0.00 N ATOM 261 CA CYS A 16 -5.634 25.704 -1.160 1.00 0.00 C ATOM 262 C CYS A 16 -5.797 25.527 0.309 1.00 0.00 C ATOM 263 O CYS A 16 -6.815 25.882 0.871 1.00 0.00 O ATOM 264 CB CYS A 16 -5.817 24.386 -1.876 1.00 0.00 C ATOM 265 SG CYS A 16 -5.531 24.471 -3.657 1.00 0.00 S ATOM 0 H CYS A 16 -3.644 25.409 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.379 26.423 -1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.137 23.652 -1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.830 24.025 -1.698 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.560 23.669 -3.979 1.00 0.00 H new ATOM 271 N GLY A 17 -4.779 25.011 0.943 1.00 0.00 N ATOM 272 CA GLY A 17 -4.882 24.734 2.311 1.00 0.00 C ATOM 273 C GLY A 17 -4.646 23.296 2.590 1.00 0.00 C ATOM 274 O GLY A 17 -3.679 22.917 3.236 1.00 0.00 O ATOM 0 H GLY A 17 -3.881 24.782 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.160 25.337 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.872 25.018 2.668 1.00 0.00 H new ATOM 278 N THR A 18 -5.526 22.491 2.085 1.00 0.00 N ATOM 279 CA THR A 18 -5.500 21.064 2.298 1.00 0.00 C ATOM 280 C THR A 18 -5.865 20.352 1.003 1.00 0.00 C ATOM 281 O THR A 18 -6.231 21.010 0.011 1.00 0.00 O ATOM 282 CB THR A 18 -6.508 20.659 3.395 1.00 0.00 C ATOM 283 OG1 THR A 18 -7.841 20.924 2.942 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.256 21.448 4.669 1.00 0.00 C ATOM 0 H THR A 18 -6.301 22.805 1.501 1.00 0.00 H new ATOM 0 HA THR A 18 -4.497 20.779 2.615 1.00 0.00 H new ATOM 0 HB THR A 18 -6.385 19.596 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.481 20.665 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.976 21.149 5.431 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.246 21.249 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.365 22.513 4.465 1.00 0.00 H new ATOM 292 N GLN A 19 -5.827 19.029 1.021 1.00 0.00 N ATOM 293 CA GLN A 19 -6.128 18.222 -0.152 1.00 0.00 C ATOM 294 C GLN A 19 -7.625 18.245 -0.448 1.00 0.00 C ATOM 295 O GLN A 19 -8.051 18.026 -1.579 1.00 0.00 O ATOM 296 CB GLN A 19 -5.634 16.793 0.045 1.00 0.00 C ATOM 297 CG GLN A 19 -4.129 16.694 0.246 1.00 0.00 C ATOM 298 CD GLN A 19 -3.672 15.281 0.515 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.360 14.533 -0.403 1.00 0.00 O ATOM 300 NE2 GLN A 19 -3.619 14.906 1.767 1.00 0.00 N ATOM 0 H GLN A 19 -5.587 18.484 1.849 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.607 18.647 -1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.137 16.359 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.917 16.196 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.622 17.073 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.834 17.332 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.887 15.556 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.310 13.963 2.004 1.00 0.00 H new ATOM 309 N TYR A 20 -8.414 18.517 0.573 1.00 0.00 N ATOM 310 CA TYR A 20 -9.845 18.657 0.409 1.00 0.00 C ATOM 311 C TYR A 20 -10.111 19.932 -0.342 1.00 0.00 C ATOM 312 O TYR A 20 -10.762 19.942 -1.380 1.00 0.00 O ATOM 313 CB TYR A 20 -10.519 18.736 1.761 1.00 0.00 C ATOM 314 CG TYR A 20 -12.029 18.767 1.680 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.734 17.756 1.036 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.748 19.806 2.244 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.109 17.788 0.958 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.124 19.840 2.172 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.799 18.831 1.529 1.00 0.00 C ATOM 320 OH TYR A 20 -16.174 18.866 1.456 1.00 0.00 O ATOM 0 H TYR A 20 -8.084 18.646 1.530 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.237 17.797 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.213 17.880 2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.172 19.630 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.195 16.933 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.223 20.603 2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.642 16.998 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.670 20.657 2.620 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.505 19.669 1.910 1.00 0.00 H new ATOM 330 N ASN A 21 -9.565 20.993 0.200 1.00 0.00 N ATOM 331 CA ASN A 21 -9.647 22.348 -0.362 1.00 0.00 C ATOM 332 C ASN A 21 -9.185 22.370 -1.826 1.00 0.00 C ATOM 333 O ASN A 21 -9.713 23.130 -2.637 1.00 0.00 O ATOM 334 CB ASN A 21 -8.745 23.280 0.422 1.00 0.00 C ATOM 335 CG ASN A 21 -9.177 23.603 1.849 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.914 22.855 2.498 1.00 0.00 O ATOM 337 ND2 ASN A 21 -8.668 24.691 2.360 1.00 0.00 N ATOM 0 H ASN A 21 -9.033 20.952 1.069 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.687 22.668 -0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.748 22.840 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.660 24.217 -0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.876 24.947 3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.063 25.286 1.794 1.00 0.00 H new ATOM 344 N PHE A 22 -8.168 21.564 -2.119 1.00 0.00 N ATOM 345 CA PHE A 22 -7.622 21.363 -3.476 1.00 0.00 C ATOM 346 C PHE A 22 -8.739 20.965 -4.424 1.00 0.00 C ATOM 347 O PHE A 22 -8.998 21.637 -5.434 1.00 0.00 O ATOM 348 CB PHE A 22 -6.598 20.231 -3.408 1.00 0.00 C ATOM 349 CG PHE A 22 -5.861 19.920 -4.687 1.00 0.00 C ATOM 350 CD1 PHE A 22 -4.899 20.781 -5.185 1.00 0.00 C ATOM 351 CD2 PHE A 22 -6.109 18.737 -5.368 1.00 0.00 C ATOM 352 CE1 PHE A 22 -4.201 20.471 -6.339 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.419 18.425 -6.523 1.00 0.00 C ATOM 354 CZ PHE A 22 -4.462 19.294 -7.008 1.00 0.00 C ATOM 0 H PHE A 22 -7.683 21.015 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.160 22.282 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.864 20.479 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.109 19.326 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.691 21.706 -4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.852 18.051 -4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.452 21.151 -6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.628 17.503 -7.046 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.919 19.052 -7.910 1.00 0.00 H new ATOM 364 N ALA A 23 -9.400 19.877 -4.065 1.00 0.00 N ATOM 365 CA ALA A 23 -10.545 19.345 -4.808 1.00 0.00 C ATOM 366 C ALA A 23 -11.608 20.434 -4.984 1.00 0.00 C ATOM 367 O ALA A 23 -12.150 20.610 -6.066 1.00 0.00 O ATOM 368 CB ALA A 23 -11.149 18.164 -4.050 1.00 0.00 C ATOM 0 H ALA A 23 -9.159 19.327 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.205 19.013 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.000 17.772 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.398 17.382 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.480 18.495 -3.066 1.00 0.00 H new ATOM 374 N ILE A 24 -11.867 21.181 -3.908 1.00 0.00 N ATOM 375 CA ILE A 24 -12.837 22.269 -3.904 1.00 0.00 C ATOM 376 C ILE A 24 -12.480 23.327 -4.956 1.00 0.00 C ATOM 377 O ILE A 24 -13.288 23.653 -5.823 1.00 0.00 O ATOM 378 CB ILE A 24 -12.867 22.950 -2.524 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.121 21.923 -1.419 1.00 0.00 C ATOM 380 CG2 ILE A 24 -13.912 24.072 -2.475 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.451 21.216 -1.474 1.00 0.00 C ATOM 0 H ILE A 24 -11.404 21.043 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.812 21.841 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.889 23.402 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.331 21.173 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.038 22.426 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.907 24.531 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.673 24.825 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.900 23.658 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.523 20.512 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.255 21.948 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.537 20.676 -2.417 1.00 0.00 H new ATOM 393 N ALA A 25 -11.247 23.816 -4.887 1.00 0.00 N ATOM 394 CA ALA A 25 -10.759 24.878 -5.768 1.00 0.00 C ATOM 395 C ALA A 25 -10.755 24.447 -7.222 1.00 0.00 C ATOM 396 O ALA A 25 -11.092 25.228 -8.117 1.00 0.00 O ATOM 397 CB ALA A 25 -9.370 25.302 -5.351 1.00 0.00 C ATOM 0 H ALA A 25 -10.552 23.487 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.441 25.723 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.017 26.092 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.395 25.671 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.695 24.448 -5.413 1.00 0.00 H new ATOM 403 N MET A 26 -10.382 23.204 -7.455 1.00 0.00 N ATOM 404 CA MET A 26 -10.360 22.661 -8.801 1.00 0.00 C ATOM 405 C MET A 26 -11.760 22.386 -9.318 1.00 0.00 C ATOM 406 O MET A 26 -11.989 22.356 -10.536 1.00 0.00 O ATOM 407 CB MET A 26 -9.519 21.388 -8.885 1.00 0.00 C ATOM 408 CG MET A 26 -8.022 21.605 -8.799 1.00 0.00 C ATOM 409 SD MET A 26 -7.088 20.107 -9.178 1.00 0.00 S ATOM 410 CE MET A 26 -7.513 19.843 -10.907 1.00 0.00 C ATOM 0 H MET A 26 -10.090 22.549 -6.729 1.00 0.00 H new ATOM 0 HA MET A 26 -9.900 23.421 -9.432 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.821 20.717 -8.081 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.745 20.882 -9.824 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.732 22.396 -9.491 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.764 21.947 -7.797 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.094 18.895 -11.244 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.597 19.819 -11.016 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.106 20.655 -11.510 1.00 0.00 H new ATOM 420 N GLY A 27 -12.691 22.219 -8.406 1.00 0.00 N ATOM 421 CA GLY A 27 -14.046 21.892 -8.767 1.00 0.00 C ATOM 422 C GLY A 27 -14.163 20.418 -9.041 1.00 0.00 C ATOM 423 O GLY A 27 -14.697 20.003 -10.074 1.00 0.00 O ATOM 0 H GLY A 27 -12.530 22.306 -7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.724 22.176 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.343 22.459 -9.649 1.00 0.00 H new ATOM 427 N LEU A 28 -13.615 19.638 -8.148 1.00 0.00 N ATOM 428 CA LEU A 28 -13.601 18.209 -8.262 1.00 0.00 C ATOM 429 C LEU A 28 -14.242 17.586 -7.051 1.00 0.00 C ATOM 430 O LEU A 28 -14.433 18.247 -6.010 1.00 0.00 O ATOM 431 CB LEU A 28 -12.167 17.710 -8.349 1.00 0.00 C ATOM 432 CG LEU A 28 -11.313 18.213 -9.506 1.00 0.00 C ATOM 433 CD1 LEU A 28 -9.945 17.607 -9.412 1.00 0.00 C ATOM 434 CD2 LEU A 28 -11.924 17.832 -10.811 1.00 0.00 C ATOM 0 H LEU A 28 -13.158 19.987 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.152 17.932 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.663 17.974 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.193 16.621 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.249 19.300 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.331 17.965 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.484 17.894 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.024 16.521 -9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.300 18.200 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.000 16.747 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.919 18.271 -10.889 1.00 0.00 H new ATOM 446 N SER A 29 -14.548 16.339 -7.170 1.00 0.00 N ATOM 447 CA SER A 29 -15.109 15.590 -6.088 1.00 0.00 C ATOM 448 C SER A 29 -13.949 14.969 -5.299 1.00 0.00 C ATOM 449 O SER A 29 -12.913 14.630 -5.911 1.00 0.00 O ATOM 450 CB SER A 29 -16.020 14.524 -6.662 1.00 0.00 C ATOM 451 OG SER A 29 -16.946 15.100 -7.593 1.00 0.00 O ATOM 0 H SER A 29 -14.416 15.802 -8.027 1.00 0.00 H new ATOM 0 HA SER A 29 -15.697 16.219 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.425 13.758 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.565 14.031 -5.857 1.00 0.00 H new ATOM 0 HG SER A 29 -17.525 14.397 -7.955 1.00 0.00 H new ATOM 457 N GLU A 30 -14.102 14.825 -3.965 1.00 0.00 N ATOM 458 CA GLU A 30 -13.020 14.321 -3.088 1.00 0.00 C ATOM 459 C GLU A 30 -12.476 13.011 -3.619 1.00 0.00 C ATOM 460 O GLU A 30 -11.266 12.843 -3.786 1.00 0.00 O ATOM 461 CB GLU A 30 -13.511 14.069 -1.644 1.00 0.00 C ATOM 462 CG GLU A 30 -12.397 13.594 -0.703 1.00 0.00 C ATOM 463 CD GLU A 30 -12.902 12.807 0.496 1.00 0.00 C ATOM 464 OE1 GLU A 30 -12.791 11.575 0.497 1.00 0.00 O ATOM 465 OE2 GLU A 30 -13.424 13.405 1.455 1.00 0.00 O ATOM 0 H GLU A 30 -14.965 15.051 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.249 15.091 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.945 14.988 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.306 13.323 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.699 12.974 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.839 14.461 -0.348 1.00 0.00 H new ATOM 472 N ARG A 31 -13.382 12.115 -3.918 1.00 0.00 N ATOM 473 CA ARG A 31 -13.058 10.786 -4.350 1.00 0.00 C ATOM 474 C ARG A 31 -12.315 10.806 -5.650 1.00 0.00 C ATOM 475 O ARG A 31 -11.294 10.171 -5.782 1.00 0.00 O ATOM 476 CB ARG A 31 -14.315 9.964 -4.509 1.00 0.00 C ATOM 477 CG ARG A 31 -14.059 8.463 -4.634 1.00 0.00 C ATOM 478 CD ARG A 31 -13.299 7.922 -3.421 1.00 0.00 C ATOM 479 NE ARG A 31 -14.021 8.177 -2.175 1.00 0.00 N ATOM 480 CZ ARG A 31 -13.599 8.966 -1.173 1.00 0.00 C ATOM 481 NH1 ARG A 31 -12.381 9.504 -1.184 1.00 0.00 N ATOM 482 NH2 ARG A 31 -14.379 9.189 -0.148 1.00 0.00 N ATOM 0 H ARG A 31 -14.384 12.296 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.421 10.338 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.965 10.142 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.852 10.306 -5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.009 7.938 -4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.488 8.264 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.142 6.850 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.313 8.385 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.923 7.716 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.749 9.320 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.080 10.100 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.306 8.764 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.061 9.788 0.614 1.00 0.00 H new ATOM 496 N THR A 32 -12.804 11.594 -6.561 1.00 0.00 N ATOM 497 CA THR A 32 -12.272 11.676 -7.907 1.00 0.00 C ATOM 498 C THR A 32 -10.831 12.176 -7.864 1.00 0.00 C ATOM 499 O THR A 32 -9.941 11.659 -8.562 1.00 0.00 O ATOM 500 CB THR A 32 -13.156 12.601 -8.746 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.523 12.263 -8.456 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.893 12.375 -10.229 1.00 0.00 C ATOM 0 H THR A 32 -13.598 12.213 -6.396 1.00 0.00 H new ATOM 0 HA THR A 32 -12.272 10.688 -8.368 1.00 0.00 H new ATOM 0 HB THR A 32 -12.945 13.644 -8.510 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.115 12.723 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.528 13.039 -10.816 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.846 12.585 -10.449 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.117 11.339 -10.484 1.00 0.00 H new ATOM 510 N VAL A 33 -10.603 13.138 -6.999 1.00 0.00 N ATOM 511 CA VAL A 33 -9.311 13.640 -6.709 1.00 0.00 C ATOM 512 C VAL A 33 -8.474 12.602 -6.117 1.00 0.00 C ATOM 513 O VAL A 33 -7.367 12.369 -6.567 1.00 0.00 O ATOM 514 CB VAL A 33 -9.434 14.808 -5.744 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.121 15.272 -5.253 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.966 15.884 -6.484 1.00 0.00 C ATOM 0 H VAL A 33 -11.345 13.596 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.845 13.970 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.042 14.491 -4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.263 16.107 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.618 14.457 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.511 15.595 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.075 16.753 -5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.294 16.128 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.941 15.604 -6.883 1.00 0.00 H new ATOM 526 N SER A 34 -9.021 11.914 -5.177 1.00 0.00 N ATOM 527 CA SER A 34 -8.251 11.000 -4.449 1.00 0.00 C ATOM 528 C SER A 34 -7.906 9.744 -5.299 1.00 0.00 C ATOM 529 O SER A 34 -7.054 8.949 -4.936 1.00 0.00 O ATOM 530 CB SER A 34 -8.914 10.642 -3.126 1.00 0.00 C ATOM 531 OG SER A 34 -9.227 11.823 -2.385 1.00 0.00 O ATOM 0 H SER A 34 -10.001 11.975 -4.903 1.00 0.00 H new ATOM 0 HA SER A 34 -7.305 11.483 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.824 10.071 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.251 10.004 -2.541 1.00 0.00 H new ATOM 0 HG SER A 34 -10.105 12.159 -2.660 1.00 0.00 H new ATOM 537 N LEU A 35 -8.600 9.577 -6.413 1.00 0.00 N ATOM 538 CA LEU A 35 -8.319 8.509 -7.342 1.00 0.00 C ATOM 539 C LEU A 35 -7.124 8.898 -8.222 1.00 0.00 C ATOM 540 O LEU A 35 -6.108 8.165 -8.298 1.00 0.00 O ATOM 541 CB LEU A 35 -9.543 8.248 -8.236 1.00 0.00 C ATOM 542 CG LEU A 35 -10.847 7.859 -7.552 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.962 7.743 -8.578 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.693 6.554 -6.817 1.00 0.00 C ATOM 0 H LEU A 35 -9.373 10.181 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.087 7.604 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.727 9.147 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.283 7.456 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.101 8.637 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.889 7.464 -8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.095 8.701 -9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.703 6.980 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.636 6.294 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.417 5.770 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.914 6.652 -6.061 1.00 0.00 H new ATOM 556 N LYS A 36 -7.247 10.065 -8.860 1.00 0.00 N ATOM 557 CA LYS A 36 -6.262 10.595 -9.784 1.00 0.00 C ATOM 558 C LYS A 36 -4.995 11.029 -9.102 1.00 0.00 C ATOM 559 O LYS A 36 -3.897 10.669 -9.506 1.00 0.00 O ATOM 560 CB LYS A 36 -6.849 11.771 -10.476 1.00 0.00 C ATOM 561 CG LYS A 36 -7.871 11.406 -11.498 1.00 0.00 C ATOM 562 CD LYS A 36 -8.756 12.559 -11.707 1.00 0.00 C ATOM 563 CE LYS A 36 -9.854 12.258 -12.702 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.336 12.100 -14.074 1.00 0.00 N ATOM 0 H LYS A 36 -8.055 10.675 -8.740 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.004 9.797 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.305 12.429 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.051 12.336 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.387 11.126 -12.434 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.447 10.542 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.200 12.853 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.169 13.407 -12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.372 11.346 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.589 13.063 -12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.128 11.929 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.835 12.966 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.680 11.294 -14.107 1.00 0.00 H new ATOM 578 N LEU A 37 -5.162 11.772 -8.029 1.00 0.00 N ATOM 579 CA LEU A 37 -4.059 12.357 -7.292 1.00 0.00 C ATOM 580 C LEU A 37 -3.389 11.329 -6.393 1.00 0.00 C ATOM 581 O LEU A 37 -2.468 11.639 -5.627 1.00 0.00 O ATOM 582 CB LEU A 37 -4.537 13.637 -6.538 1.00 0.00 C ATOM 583 CG LEU A 37 -3.563 14.381 -5.659 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.649 15.208 -6.472 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.268 15.199 -4.592 1.00 0.00 C ATOM 0 H LEU A 37 -6.078 11.990 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.286 12.677 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.907 14.339 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.388 13.354 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.962 13.640 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.956 15.735 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.089 14.568 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.227 15.932 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.528 15.718 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.923 15.929 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.860 14.538 -3.959 1.00 0.00 H new ATOM 597 N ASN A 38 -3.818 10.099 -6.495 1.00 0.00 N ATOM 598 CA ASN A 38 -3.175 9.093 -5.764 1.00 0.00 C ATOM 599 C ASN A 38 -2.434 8.138 -6.691 1.00 0.00 C ATOM 600 O ASN A 38 -1.222 8.272 -6.875 1.00 0.00 O ATOM 601 CB ASN A 38 -4.114 8.316 -4.869 1.00 0.00 C ATOM 602 CG ASN A 38 -3.360 7.377 -3.955 1.00 0.00 C ATOM 603 OD1 ASN A 38 -2.261 7.669 -3.517 1.00 0.00 O ATOM 604 ND2 ASN A 38 -3.928 6.253 -3.687 1.00 0.00 N ATOM 0 H ASN A 38 -4.600 9.793 -7.074 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.461 9.601 -5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.706 9.010 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.813 7.746 -5.481 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.457 5.573 -3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.849 6.043 -4.071 1.00 0.00 H new ATOM 611 N ASP A 39 -3.169 7.227 -7.352 1.00 0.00 N ATOM 612 CA ASP A 39 -2.493 6.142 -8.089 1.00 0.00 C ATOM 613 C ASP A 39 -3.433 5.299 -8.984 1.00 0.00 C ATOM 614 O ASP A 39 -2.965 4.459 -9.750 1.00 0.00 O ATOM 615 CB ASP A 39 -1.764 5.228 -7.050 1.00 0.00 C ATOM 616 CG ASP A 39 -1.076 3.994 -7.613 1.00 0.00 C ATOM 617 OD1 ASP A 39 -1.531 2.875 -7.318 1.00 0.00 O ATOM 618 OD2 ASP A 39 -0.060 4.106 -8.318 1.00 0.00 O ATOM 0 H ASP A 39 -4.188 7.215 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.787 6.606 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.019 5.828 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.492 4.906 -6.306 1.00 0.00 H new ATOM 623 N LYS A 40 -4.752 5.519 -8.948 1.00 0.00 N ATOM 624 CA LYS A 40 -5.594 4.651 -9.689 1.00 0.00 C ATOM 625 C LYS A 40 -5.769 5.134 -11.076 1.00 0.00 C ATOM 626 O LYS A 40 -5.826 4.334 -12.012 1.00 0.00 O ATOM 627 CB LYS A 40 -6.979 4.521 -9.081 1.00 0.00 C ATOM 628 CG LYS A 40 -7.018 4.069 -7.617 1.00 0.00 C ATOM 629 CD LYS A 40 -8.436 3.747 -7.166 1.00 0.00 C ATOM 630 CE LYS A 40 -8.470 3.210 -5.738 1.00 0.00 C ATOM 631 NZ LYS A 40 -9.828 2.801 -5.312 1.00 0.00 N ATOM 0 H LYS A 40 -5.219 6.264 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.097 3.681 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.483 5.484 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.553 3.812 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.387 3.189 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.603 4.852 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.051 4.645 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.874 3.012 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.797 2.356 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.096 3.975 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.793 2.445 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.468 3.620 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.178 2.051 -5.942 1.00 0.00 H new ATOM 645 N VAL A 41 -5.844 6.434 -11.248 1.00 0.00 N ATOM 646 CA VAL A 41 -6.273 6.904 -12.510 1.00 0.00 C ATOM 647 C VAL A 41 -5.397 8.053 -12.948 1.00 0.00 C ATOM 648 O VAL A 41 -4.554 8.519 -12.184 1.00 0.00 O ATOM 649 CB VAL A 41 -7.736 7.397 -12.466 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.467 6.763 -13.563 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.431 7.118 -11.173 1.00 0.00 C ATOM 0 H VAL A 41 -5.620 7.145 -10.552 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.202 6.073 -13.212 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.716 8.482 -12.566 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.504 7.098 -13.550 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.008 7.038 -14.513 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.434 5.680 -13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.453 7.494 -11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.448 6.043 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.900 7.613 -10.360 1.00 0.00 H new ATOM 661 N THR A 42 -5.642 8.534 -14.127 1.00 0.00 N ATOM 662 CA THR A 42 -4.843 9.564 -14.713 1.00 0.00 C ATOM 663 C THR A 42 -5.566 10.907 -14.715 1.00 0.00 C ATOM 664 O THR A 42 -6.818 10.970 -14.645 1.00 0.00 O ATOM 665 CB THR A 42 -4.500 9.182 -16.167 1.00 0.00 C ATOM 666 OG1 THR A 42 -5.715 8.799 -16.868 1.00 0.00 O ATOM 667 CG2 THR A 42 -3.505 8.030 -16.211 1.00 0.00 C ATOM 0 H THR A 42 -6.412 8.218 -14.717 1.00 0.00 H new ATOM 0 HA THR A 42 -3.937 9.662 -14.116 1.00 0.00 H new ATOM 0 HB THR A 42 -4.047 10.047 -16.651 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.482 8.408 -17.736 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.281 7.782 -17.249 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.587 8.323 -15.702 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.934 7.160 -15.714 1.00 0.00 H new ATOM 675 N TRP A 43 -4.796 11.963 -14.762 1.00 0.00 N ATOM 676 CA TRP A 43 -5.324 13.279 -14.951 1.00 0.00 C ATOM 677 C TRP A 43 -5.401 13.517 -16.423 1.00 0.00 C ATOM 678 O TRP A 43 -4.450 13.194 -17.163 1.00 0.00 O ATOM 679 CB TRP A 43 -4.416 14.360 -14.383 1.00 0.00 C ATOM 680 CG TRP A 43 -4.312 14.449 -12.909 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.225 14.998 -12.063 1.00 0.00 C ATOM 682 CD2 TRP A 43 -3.204 14.048 -12.106 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.754 14.956 -10.781 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.516 14.378 -10.782 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.974 13.438 -12.378 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.655 14.128 -9.734 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.117 13.185 -11.328 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.462 13.534 -10.020 1.00 0.00 C ATOM 0 H TRP A 43 -3.781 11.929 -14.669 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.288 13.332 -14.444 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.414 14.205 -14.784 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.763 15.324 -14.756 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.180 15.406 -12.360 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.247 15.300 -9.957 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.702 13.171 -13.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.917 14.394 -8.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.166 12.710 -11.519 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.768 13.329 -9.218 1.00 0.00 H new ATOM 699 N LYS A 44 -6.484 14.032 -16.871 1.00 0.00 N ATOM 700 CA LYS A 44 -6.595 14.379 -18.239 1.00 0.00 C ATOM 701 C LYS A 44 -6.022 15.758 -18.434 1.00 0.00 C ATOM 702 O LYS A 44 -6.009 16.555 -17.494 1.00 0.00 O ATOM 703 CB LYS A 44 -8.039 14.245 -18.753 1.00 0.00 C ATOM 704 CG LYS A 44 -8.496 12.791 -19.007 1.00 0.00 C ATOM 705 CD LYS A 44 -8.538 11.942 -17.734 1.00 0.00 C ATOM 706 CE LYS A 44 -8.859 10.484 -18.029 1.00 0.00 C ATOM 707 NZ LYS A 44 -7.789 9.795 -18.803 1.00 0.00 N ATOM 0 H LYS A 44 -7.312 14.224 -16.307 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.019 13.678 -18.843 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.713 14.703 -18.029 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.135 14.810 -19.680 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.487 12.802 -19.461 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.821 12.325 -19.725 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.576 12.005 -17.225 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.287 12.347 -17.053 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.017 9.956 -17.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.794 10.430 -18.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.190 8.966 -19.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.393 10.450 -19.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.036 9.487 -18.155 1.00 0.00 H new ATOM 721 N ASP A 45 -5.529 16.032 -19.623 1.00 0.00 N ATOM 722 CA ASP A 45 -4.857 17.314 -19.943 1.00 0.00 C ATOM 723 C ASP A 45 -5.715 18.521 -19.567 1.00 0.00 C ATOM 724 O ASP A 45 -5.217 19.522 -19.018 1.00 0.00 O ATOM 725 CB ASP A 45 -4.480 17.351 -21.429 1.00 0.00 C ATOM 726 CG ASP A 45 -3.872 18.664 -21.868 1.00 0.00 C ATOM 727 OD1 ASP A 45 -4.604 19.538 -22.384 1.00 0.00 O ATOM 728 OD2 ASP A 45 -2.643 18.842 -21.720 1.00 0.00 O ATOM 0 H ASP A 45 -5.573 15.384 -20.409 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.948 17.374 -19.344 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.774 16.546 -21.636 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.371 17.155 -22.026 1.00 0.00 H new ATOM 733 N ASP A 46 -6.997 18.382 -19.811 1.00 0.00 N ATOM 734 CA ASP A 46 -8.006 19.398 -19.498 1.00 0.00 C ATOM 735 C ASP A 46 -8.174 19.596 -17.981 1.00 0.00 C ATOM 736 O ASP A 46 -8.523 20.687 -17.511 1.00 0.00 O ATOM 737 CB ASP A 46 -9.334 18.993 -20.145 1.00 0.00 C ATOM 738 CG ASP A 46 -10.513 19.820 -19.705 1.00 0.00 C ATOM 739 OD1 ASP A 46 -11.302 19.338 -18.859 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.680 20.960 -20.186 1.00 0.00 O ATOM 0 H ASP A 46 -7.388 17.545 -20.242 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.674 20.355 -19.902 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.236 19.069 -21.228 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.533 17.946 -19.915 1.00 0.00 H new ATOM 745 N GLU A 47 -7.884 18.568 -17.225 1.00 0.00 N ATOM 746 CA GLU A 47 -8.009 18.626 -15.779 1.00 0.00 C ATOM 747 C GLU A 47 -6.730 19.210 -15.204 1.00 0.00 C ATOM 748 O GLU A 47 -6.761 20.021 -14.273 1.00 0.00 O ATOM 749 CB GLU A 47 -8.255 17.230 -15.205 1.00 0.00 C ATOM 750 CG GLU A 47 -9.455 16.514 -15.811 1.00 0.00 C ATOM 751 CD GLU A 47 -9.628 15.117 -15.274 1.00 0.00 C ATOM 752 OE1 GLU A 47 -10.758 14.748 -14.870 1.00 0.00 O ATOM 753 OE2 GLU A 47 -8.642 14.351 -15.250 1.00 0.00 O ATOM 0 H GLU A 47 -7.557 17.671 -17.584 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.858 19.255 -15.512 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.364 16.622 -15.362 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.399 17.311 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.358 17.091 -15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.339 16.471 -16.894 1.00 0.00 H new ATOM 760 N ILE A 48 -5.604 18.819 -15.798 1.00 0.00 N ATOM 761 CA ILE A 48 -4.285 19.298 -15.396 1.00 0.00 C ATOM 762 C ILE A 48 -4.218 20.818 -15.493 1.00 0.00 C ATOM 763 O ILE A 48 -3.773 21.489 -14.553 1.00 0.00 O ATOM 764 CB ILE A 48 -3.145 18.677 -16.267 1.00 0.00 C ATOM 765 CG1 ILE A 48 -3.157 17.149 -16.160 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.778 19.228 -15.848 1.00 0.00 C ATOM 767 CD1 ILE A 48 -2.084 16.450 -16.973 1.00 0.00 C ATOM 0 H ILE A 48 -5.582 18.158 -16.575 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.135 18.985 -14.363 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.324 18.955 -17.306 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.040 16.870 -15.113 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.133 16.783 -16.480 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.000 18.782 -16.468 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.767 20.310 -15.976 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.593 18.984 -14.802 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.169 15.372 -16.837 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.210 16.693 -18.028 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.101 16.782 -16.639 1.00 0.00 H new ATOM 779 N LEU A 49 -4.729 21.360 -16.603 1.00 0.00 N ATOM 780 CA LEU A 49 -4.690 22.796 -16.848 1.00 0.00 C ATOM 781 C LEU A 49 -5.448 23.612 -15.794 1.00 0.00 C ATOM 782 O LEU A 49 -5.164 24.806 -15.584 1.00 0.00 O ATOM 783 CB LEU A 49 -5.074 23.135 -18.294 1.00 0.00 C ATOM 784 CG LEU A 49 -6.454 22.771 -18.747 1.00 0.00 C ATOM 785 CD1 LEU A 49 -7.468 23.763 -18.232 1.00 0.00 C ATOM 786 CD2 LEU A 49 -6.493 22.658 -20.245 1.00 0.00 C ATOM 0 H LEU A 49 -5.175 20.820 -17.345 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.652 23.108 -16.731 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.947 24.209 -18.433 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.362 22.642 -18.955 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.718 21.799 -18.331 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.463 23.477 -18.574 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.448 23.772 -17.142 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.227 24.758 -18.607 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.501 22.393 -20.564 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.211 23.613 -20.689 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.795 21.886 -20.570 1.00 0.00 H new ATOM 798 N LYS A 50 -6.386 22.957 -15.110 1.00 0.00 N ATOM 799 CA LYS A 50 -7.126 23.579 -14.052 1.00 0.00 C ATOM 800 C LYS A 50 -6.254 23.746 -12.840 1.00 0.00 C ATOM 801 O LYS A 50 -6.148 24.836 -12.288 1.00 0.00 O ATOM 802 CB LYS A 50 -8.295 22.749 -13.674 1.00 0.00 C ATOM 803 CG LYS A 50 -9.540 23.560 -13.749 1.00 0.00 C ATOM 804 CD LYS A 50 -9.964 23.804 -15.183 1.00 0.00 C ATOM 805 CE LYS A 50 -11.227 24.631 -15.245 1.00 0.00 C ATOM 806 NZ LYS A 50 -11.745 24.778 -16.625 1.00 0.00 N ATOM 0 H LYS A 50 -6.641 21.985 -15.285 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.466 24.551 -14.408 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.371 21.889 -14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.164 22.361 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.341 23.048 -13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.383 24.515 -13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.165 24.315 -15.720 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.126 22.850 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.991 24.167 -14.622 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.031 25.619 -14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.611 25.353 -16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.029 25.245 -17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.959 23.839 -17.017 1.00 0.00 H new ATOM 820 N ALA A 51 -5.573 22.657 -12.467 1.00 0.00 N ATOM 821 CA ALA A 51 -4.683 22.637 -11.308 1.00 0.00 C ATOM 822 C ALA A 51 -3.583 23.653 -11.494 1.00 0.00 C ATOM 823 O ALA A 51 -3.282 24.428 -10.589 1.00 0.00 O ATOM 824 CB ALA A 51 -4.088 21.250 -11.110 1.00 0.00 C ATOM 0 H ALA A 51 -5.625 21.767 -12.962 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.261 22.890 -10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.429 21.257 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.890 20.529 -10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.519 20.969 -11.996 1.00 0.00 H new ATOM 830 N VAL A 52 -3.036 23.676 -12.701 1.00 0.00 N ATOM 831 CA VAL A 52 -1.993 24.618 -13.100 1.00 0.00 C ATOM 832 C VAL A 52 -2.416 26.062 -12.817 1.00 0.00 C ATOM 833 O VAL A 52 -1.658 26.838 -12.266 1.00 0.00 O ATOM 834 CB VAL A 52 -1.651 24.452 -14.619 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.666 25.500 -15.099 1.00 0.00 C ATOM 836 CG2 VAL A 52 -1.086 23.074 -14.887 1.00 0.00 C ATOM 0 H VAL A 52 -3.307 23.032 -13.444 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.104 24.396 -12.510 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.582 24.583 -15.170 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.458 25.346 -16.158 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.091 26.493 -14.953 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.261 25.415 -14.531 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.854 22.976 -15.947 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.177 22.933 -14.302 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.820 22.319 -14.605 1.00 0.00 H new ATOM 846 N HIS A 53 -3.644 26.378 -13.115 1.00 0.00 N ATOM 847 CA HIS A 53 -4.133 27.725 -12.974 1.00 0.00 C ATOM 848 C HIS A 53 -4.552 28.096 -11.566 1.00 0.00 C ATOM 849 O HIS A 53 -4.669 29.281 -11.237 1.00 0.00 O ATOM 850 CB HIS A 53 -5.241 27.974 -13.948 1.00 0.00 C ATOM 851 CG HIS A 53 -4.741 28.426 -15.272 1.00 0.00 C ATOM 852 ND1 HIS A 53 -4.426 27.567 -16.302 1.00 0.00 N ATOM 853 CD2 HIS A 53 -4.451 29.666 -15.719 1.00 0.00 C ATOM 854 CE1 HIS A 53 -3.954 28.268 -17.316 1.00 0.00 C ATOM 855 NE2 HIS A 53 -3.965 29.536 -16.983 1.00 0.00 N ATOM 0 H HIS A 53 -4.335 25.713 -13.462 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.289 28.378 -13.199 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.822 27.060 -14.075 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.916 28.727 -13.541 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -4.539 26.553 -16.284 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.581 30.590 -15.175 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.616 27.865 -18.260 1.00 0.00 H new ATOM 863 N VAL A 54 -4.757 27.118 -10.743 1.00 0.00 N ATOM 864 CA VAL A 54 -5.169 27.362 -9.375 1.00 0.00 C ATOM 865 C VAL A 54 -3.940 27.477 -8.508 1.00 0.00 C ATOM 866 O VAL A 54 -3.743 28.459 -7.788 1.00 0.00 O ATOM 867 CB VAL A 54 -6.092 26.222 -8.843 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.410 26.413 -7.366 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.382 26.160 -9.644 1.00 0.00 C ATOM 0 H VAL A 54 -4.648 26.133 -10.985 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.741 28.289 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.554 25.281 -8.961 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.055 25.603 -7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.484 26.407 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.919 27.366 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.012 25.359 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.910 27.110 -9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.151 25.967 -10.692 1.00 0.00 H new ATOM 879 N LEU A 55 -3.096 26.490 -8.641 1.00 0.00 N ATOM 880 CA LEU A 55 -1.901 26.340 -7.913 1.00 0.00 C ATOM 881 C LEU A 55 -0.801 27.287 -8.406 1.00 0.00 C ATOM 882 O LEU A 55 0.260 27.381 -7.789 1.00 0.00 O ATOM 883 CB LEU A 55 -1.494 24.900 -8.091 1.00 0.00 C ATOM 884 CG LEU A 55 -2.200 23.814 -7.248 1.00 0.00 C ATOM 885 CD1 LEU A 55 -1.660 23.764 -5.839 1.00 0.00 C ATOM 886 CD2 LEU A 55 -3.719 23.962 -7.194 1.00 0.00 C ATOM 0 H LEU A 55 -3.250 25.732 -9.306 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.053 26.593 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.635 24.645 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.425 24.832 -7.887 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.980 22.879 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.181 22.989 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.594 23.539 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.815 24.729 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.141 23.163 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.975 24.927 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.127 23.902 -8.203 1.00 0.00 H new ATOM 898 N GLU A 56 -1.079 27.968 -9.522 1.00 0.00 N ATOM 899 CA GLU A 56 -0.173 28.932 -10.164 1.00 0.00 C ATOM 900 C GLU A 56 1.060 28.270 -10.732 1.00 0.00 C ATOM 901 O GLU A 56 2.151 28.857 -10.761 1.00 0.00 O ATOM 902 CB GLU A 56 0.207 30.094 -9.250 1.00 0.00 C ATOM 903 CG GLU A 56 -0.946 30.990 -8.895 1.00 0.00 C ATOM 904 CD GLU A 56 -0.491 32.243 -8.217 1.00 0.00 C ATOM 905 OE1 GLU A 56 -0.076 33.182 -8.921 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.586 32.336 -6.974 1.00 0.00 O ATOM 0 H GLU A 56 -1.964 27.863 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.739 29.351 -10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.641 29.696 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.980 30.688 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.498 31.247 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.635 30.454 -8.242 1.00 0.00 H new ATOM 913 N LEU A 57 0.868 27.098 -11.258 1.00 0.00 N ATOM 914 CA LEU A 57 1.933 26.349 -11.841 1.00 0.00 C ATOM 915 C LEU A 57 2.054 26.705 -13.312 1.00 0.00 C ATOM 916 O LEU A 57 1.400 27.647 -13.794 1.00 0.00 O ATOM 917 CB LEU A 57 1.681 24.868 -11.691 1.00 0.00 C ATOM 918 CG LEU A 57 1.357 24.363 -10.278 1.00 0.00 C ATOM 919 CD1 LEU A 57 1.149 22.858 -10.279 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.443 24.759 -9.286 1.00 0.00 C ATOM 0 H LEU A 57 -0.040 26.634 -11.294 1.00 0.00 H new ATOM 0 HA LEU A 57 2.862 26.596 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.855 24.595 -12.347 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.562 24.335 -12.049 1.00 0.00 H new ATOM 0 HG LEU A 57 0.428 24.837 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.921 22.522 -9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.321 22.606 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.056 22.366 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.184 24.387 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.395 24.329 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.528 25.845 -9.254 1.00 0.00 H new ATOM 932 N ASN A 58 2.856 25.966 -14.017 1.00 0.00 N ATOM 933 CA ASN A 58 3.087 26.170 -15.414 1.00 0.00 C ATOM 934 C ASN A 58 3.355 24.796 -16.027 1.00 0.00 C ATOM 935 O ASN A 58 3.805 23.914 -15.307 1.00 0.00 O ATOM 936 CB ASN A 58 4.316 27.083 -15.561 1.00 0.00 C ATOM 937 CG ASN A 58 4.631 27.466 -16.982 1.00 0.00 C ATOM 938 OD1 ASN A 58 5.400 26.803 -17.666 1.00 0.00 O ATOM 939 ND2 ASN A 58 4.046 28.531 -17.424 1.00 0.00 N ATOM 0 H ASN A 58 3.381 25.184 -13.626 1.00 0.00 H new ATOM 0 HA ASN A 58 2.239 26.637 -15.915 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.153 27.990 -14.979 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.182 26.580 -15.131 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.218 28.849 -18.378 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.412 29.053 -16.819 1.00 0.00 H new ATOM 946 N PRO A 59 3.037 24.563 -17.331 1.00 0.00 N ATOM 947 CA PRO A 59 3.325 23.288 -18.041 1.00 0.00 C ATOM 948 C PRO A 59 4.775 22.775 -17.854 1.00 0.00 C ATOM 949 O PRO A 59 5.034 21.571 -17.893 1.00 0.00 O ATOM 950 CB PRO A 59 3.086 23.641 -19.521 1.00 0.00 C ATOM 951 CG PRO A 59 2.856 25.118 -19.548 1.00 0.00 C ATOM 952 CD PRO A 59 2.303 25.469 -18.209 1.00 0.00 C ATOM 0 HA PRO A 59 2.700 22.483 -17.654 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.945 23.366 -20.133 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.226 23.103 -19.919 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.785 25.655 -19.740 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.161 25.391 -20.342 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.479 26.514 -17.956 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.227 25.305 -18.156 1.00 0.00 H new ATOM 960 N GLN A 60 5.700 23.687 -17.634 1.00 0.00 N ATOM 961 CA GLN A 60 7.109 23.339 -17.434 1.00 0.00 C ATOM 962 C GLN A 60 7.335 22.761 -16.043 1.00 0.00 C ATOM 963 O GLN A 60 8.280 22.008 -15.807 1.00 0.00 O ATOM 964 CB GLN A 60 7.960 24.574 -17.624 1.00 0.00 C ATOM 965 CG GLN A 60 7.789 25.181 -18.988 1.00 0.00 C ATOM 966 CD GLN A 60 8.556 26.461 -19.163 1.00 0.00 C ATOM 967 OE1 GLN A 60 9.714 26.468 -19.601 1.00 0.00 O ATOM 968 NE2 GLN A 60 7.923 27.558 -18.828 1.00 0.00 N ATOM 0 H GLN A 60 5.507 24.688 -17.587 1.00 0.00 H new ATOM 0 HA GLN A 60 7.390 22.581 -18.165 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.700 25.312 -16.865 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.008 24.317 -17.472 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.114 24.464 -19.742 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.730 25.372 -19.164 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.969 27.507 -18.471 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.384 28.463 -18.924 1.00 0.00 H new ATOM 977 N ASP A 61 6.445 23.098 -15.137 1.00 0.00 N ATOM 978 CA ASP A 61 6.498 22.684 -13.792 1.00 0.00 C ATOM 979 C ASP A 61 5.709 21.403 -13.587 1.00 0.00 C ATOM 980 O ASP A 61 5.588 20.921 -12.477 1.00 0.00 O ATOM 981 CB ASP A 61 5.883 23.769 -12.944 1.00 0.00 C ATOM 982 CG ASP A 61 6.746 24.982 -12.733 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.732 24.913 -11.977 1.00 0.00 O ATOM 984 OD2 ASP A 61 6.424 26.051 -13.298 1.00 0.00 O ATOM 0 H ASP A 61 5.642 23.691 -15.346 1.00 0.00 H new ATOM 0 HA ASP A 61 7.536 22.501 -13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.948 24.084 -13.407 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.631 23.348 -11.971 1.00 0.00 H new ATOM 989 N ILE A 62 5.197 20.836 -14.656 1.00 0.00 N ATOM 990 CA ILE A 62 4.427 19.604 -14.551 1.00 0.00 C ATOM 991 C ILE A 62 5.256 18.417 -14.008 1.00 0.00 C ATOM 992 O ILE A 62 4.845 17.798 -13.032 1.00 0.00 O ATOM 993 CB ILE A 62 3.673 19.237 -15.855 1.00 0.00 C ATOM 994 CG1 ILE A 62 2.646 20.328 -16.171 1.00 0.00 C ATOM 995 CG2 ILE A 62 2.989 17.867 -15.748 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.614 20.576 -15.086 1.00 0.00 C ATOM 0 H ILE A 62 5.295 21.200 -15.604 1.00 0.00 H new ATOM 0 HA ILE A 62 3.660 19.814 -13.806 1.00 0.00 H new ATOM 0 HB ILE A 62 4.398 19.172 -16.666 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.177 21.260 -16.365 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.126 20.060 -17.091 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.471 17.645 -16.681 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.739 17.100 -15.558 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.270 17.882 -14.929 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.933 21.365 -15.405 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.050 19.661 -14.905 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.117 20.880 -14.168 1.00 0.00 H new ATOM 1008 N PRO A 63 6.477 18.114 -14.555 1.00 0.00 N ATOM 1009 CA PRO A 63 7.294 16.989 -14.060 1.00 0.00 C ATOM 1010 C PRO A 63 7.947 17.333 -12.729 1.00 0.00 C ATOM 1011 O PRO A 63 8.555 16.507 -12.058 1.00 0.00 O ATOM 1012 CB PRO A 63 8.374 16.821 -15.121 1.00 0.00 C ATOM 1013 CG PRO A 63 7.947 17.665 -16.269 1.00 0.00 C ATOM 1014 CD PRO A 63 7.160 18.787 -15.675 1.00 0.00 C ATOM 0 HA PRO A 63 6.697 16.092 -13.899 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.346 17.137 -14.743 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.472 15.777 -15.418 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.809 18.040 -16.821 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.343 17.092 -16.973 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.800 19.601 -15.334 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.454 19.214 -16.388 1.00 0.00 H new ATOM 1022 N LYS A 64 7.817 18.566 -12.392 1.00 0.00 N ATOM 1023 CA LYS A 64 8.336 19.122 -11.173 1.00 0.00 C ATOM 1024 C LYS A 64 7.352 18.876 -10.023 1.00 0.00 C ATOM 1025 O LYS A 64 7.709 18.985 -8.854 1.00 0.00 O ATOM 1026 CB LYS A 64 8.532 20.616 -11.361 1.00 0.00 C ATOM 1027 CG LYS A 64 9.453 20.980 -12.514 1.00 0.00 C ATOM 1028 CD LYS A 64 10.904 20.658 -12.229 1.00 0.00 C ATOM 1029 CE LYS A 64 11.800 21.205 -13.329 1.00 0.00 C ATOM 1030 NZ LYS A 64 13.224 20.847 -13.137 1.00 0.00 N ATOM 0 H LYS A 64 7.330 19.249 -12.972 1.00 0.00 H new ATOM 0 HA LYS A 64 9.287 18.647 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.560 21.081 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.936 21.037 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.136 20.445 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.357 22.044 -12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.195 21.085 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.034 19.579 -12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.460 20.824 -14.292 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.704 22.290 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.790 21.244 -13.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.560 21.233 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.324 19.812 -13.131 1.00 0.00 H new ATOM 1044 N TYR A 65 6.116 18.539 -10.377 1.00 0.00 N ATOM 1045 CA TYR A 65 5.055 18.340 -9.411 1.00 0.00 C ATOM 1046 C TYR A 65 4.363 16.994 -9.549 1.00 0.00 C ATOM 1047 O TYR A 65 4.294 16.221 -8.602 1.00 0.00 O ATOM 1048 CB TYR A 65 4.020 19.450 -9.558 1.00 0.00 C ATOM 1049 CG TYR A 65 4.418 20.740 -8.910 1.00 0.00 C ATOM 1050 CD1 TYR A 65 5.289 21.625 -9.521 1.00 0.00 C ATOM 1051 CD2 TYR A 65 3.929 21.055 -7.676 1.00 0.00 C ATOM 1052 CE1 TYR A 65 5.664 22.792 -8.906 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.290 22.225 -7.044 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.163 23.090 -7.666 1.00 0.00 C ATOM 1055 OH TYR A 65 5.539 24.255 -7.041 1.00 0.00 O ATOM 0 H TYR A 65 5.827 18.397 -11.345 1.00 0.00 H new ATOM 0 HA TYR A 65 5.519 18.363 -8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.840 19.628 -10.618 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.077 19.114 -9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.681 21.392 -10.500 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.247 20.376 -7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.348 23.470 -9.395 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.892 22.462 -6.069 1.00 0.00 H new ATOM 0 HH TYR A 65 5.736 24.939 -7.715 1.00 0.00 H new ATOM 1065 N PHE A 66 3.884 16.712 -10.733 1.00 0.00 N ATOM 1066 CA PHE A 66 3.062 15.538 -10.988 1.00 0.00 C ATOM 1067 C PHE A 66 3.907 14.364 -11.471 1.00 0.00 C ATOM 1068 O PHE A 66 3.424 13.517 -12.223 1.00 0.00 O ATOM 1069 CB PHE A 66 1.995 15.874 -12.054 1.00 0.00 C ATOM 1070 CG PHE A 66 1.055 16.997 -11.686 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.120 16.740 -11.001 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.343 18.307 -12.035 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -0.988 17.763 -10.671 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.481 19.335 -11.707 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.687 19.062 -11.025 1.00 0.00 C ATOM 0 H PHE A 66 4.049 17.289 -11.558 1.00 0.00 H new ATOM 0 HA PHE A 66 2.580 15.252 -10.053 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.501 16.134 -12.983 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.406 14.978 -12.252 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.362 15.725 -10.721 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.254 18.527 -12.571 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.901 17.546 -10.137 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.721 20.351 -11.984 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.364 19.863 -10.769 1.00 0.00 H new