USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=21 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 18 THR OG1 : rot 180:sc= 0.0512 USER MOD Set 1.2: A 21 ASN : amide:sc= 0.886 K(o=0.94,f=-3.6!) USER MOD Single : A 5 TYR OH : rot -134:sc= 0.811 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.805) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0.624 (180deg=0.314) USER MOD Single : A 16 CYS SG : rot 150:sc= -1.34 USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -111:sc= -0.413 (180deg=-1.42) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00852 USER MOD Single : A 34 SER OG : rot 70:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.857) USER MOD Single : A 38 ASN : amide:sc= 0.462 K(o=0.46,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.21) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= -0.0101 (180deg=-0.134) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.08) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 58 ASN : amide:sc= -0.858 K(o=-0.86,f=-4.5!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 1.26 (180deg=0.866) USER MOD Single : A 65 TYR OH : rot 30:sc= -0.0925 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 4.864 12.298 -3.416 1.00 0.00 N ATOM 81 CA TYR A 5 4.131 13.555 -3.656 1.00 0.00 C ATOM 82 C TYR A 5 4.536 14.662 -2.702 1.00 0.00 C ATOM 83 O TYR A 5 3.946 15.703 -2.723 1.00 0.00 O ATOM 84 CB TYR A 5 2.599 13.373 -3.598 1.00 0.00 C ATOM 85 CG TYR A 5 2.028 12.383 -4.574 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.646 12.777 -5.843 1.00 0.00 C ATOM 87 CD2 TYR A 5 1.863 11.051 -4.219 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.110 11.862 -6.734 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.336 10.137 -5.096 1.00 0.00 C ATOM 90 CZ TYR A 5 0.958 10.540 -6.349 1.00 0.00 C ATOM 91 OH TYR A 5 0.409 9.618 -7.217 1.00 0.00 O ATOM 0 HA TYR A 5 4.410 13.848 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.325 13.062 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.129 14.341 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.767 13.808 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.156 10.727 -3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.812 12.177 -7.723 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.220 9.105 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.253 9.074 -6.741 1.00 0.00 H new ATOM 101 N SER A 6 5.584 14.451 -1.933 1.00 0.00 N ATOM 102 CA SER A 6 6.003 15.372 -0.875 1.00 0.00 C ATOM 103 C SER A 6 6.155 16.843 -1.352 1.00 0.00 C ATOM 104 O SER A 6 5.662 17.764 -0.685 1.00 0.00 O ATOM 105 CB SER A 6 7.279 14.852 -0.230 1.00 0.00 C ATOM 106 OG SER A 6 7.699 15.665 0.844 1.00 0.00 O ATOM 0 H SER A 6 6.181 13.629 -2.019 1.00 0.00 H new ATOM 0 HA SER A 6 5.206 15.402 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.116 13.835 0.127 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.070 14.804 -0.979 1.00 0.00 H new ATOM 0 HG SER A 6 8.520 15.296 1.232 1.00 0.00 H new ATOM 112 N SER A 7 6.792 17.052 -2.499 1.00 0.00 N ATOM 113 CA SER A 7 6.958 18.393 -3.058 1.00 0.00 C ATOM 114 C SER A 7 5.590 19.005 -3.431 1.00 0.00 C ATOM 115 O SER A 7 5.357 20.207 -3.287 1.00 0.00 O ATOM 116 CB SER A 7 7.840 18.295 -4.299 1.00 0.00 C ATOM 117 OG SER A 7 9.078 17.646 -3.988 1.00 0.00 O ATOM 0 H SER A 7 7.204 16.309 -3.063 1.00 0.00 H new ATOM 0 HA SER A 7 7.424 19.040 -2.314 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.319 17.741 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.035 19.293 -4.693 1.00 0.00 H new ATOM 0 HG SER A 7 9.630 17.590 -4.796 1.00 0.00 H new ATOM 123 N LEU A 8 4.686 18.148 -3.843 1.00 0.00 N ATOM 124 CA LEU A 8 3.373 18.544 -4.300 1.00 0.00 C ATOM 125 C LEU A 8 2.492 18.810 -3.071 1.00 0.00 C ATOM 126 O LEU A 8 1.793 19.817 -3.007 1.00 0.00 O ATOM 127 CB LEU A 8 2.827 17.410 -5.230 1.00 0.00 C ATOM 128 CG LEU A 8 1.655 17.718 -6.191 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.434 16.553 -7.126 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.395 17.938 -5.442 1.00 0.00 C ATOM 0 H LEU A 8 4.843 17.141 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 8 3.389 19.465 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.661 17.052 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.518 16.583 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 8 1.916 18.618 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.607 16.779 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.338 16.377 -7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.197 15.661 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.412 18.153 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.151 17.043 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.518 18.781 -4.762 1.00 0.00 H new ATOM 142 N LEU A 9 2.607 17.937 -2.078 1.00 0.00 N ATOM 143 CA LEU A 9 1.893 18.016 -0.839 1.00 0.00 C ATOM 144 C LEU A 9 2.188 19.316 -0.093 1.00 0.00 C ATOM 145 O LEU A 9 1.318 19.844 0.605 1.00 0.00 O ATOM 146 CB LEU A 9 2.268 16.815 0.018 1.00 0.00 C ATOM 147 CG LEU A 9 1.859 15.427 -0.495 1.00 0.00 C ATOM 148 CD1 LEU A 9 2.300 14.344 0.473 1.00 0.00 C ATOM 149 CD2 LEU A 9 0.364 15.350 -0.729 1.00 0.00 C ATOM 0 H LEU A 9 3.227 17.129 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 9 0.824 18.008 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.350 16.820 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.826 16.954 1.004 1.00 0.00 H new ATOM 0 HG LEU A 9 2.361 15.264 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.000 13.369 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.384 14.373 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.833 14.511 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.103 14.356 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.161 15.544 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.073 16.095 -1.470 1.00 0.00 H new ATOM 161 N GLY A 10 3.408 19.816 -0.240 1.00 0.00 N ATOM 162 CA GLY A 10 3.769 21.079 0.368 1.00 0.00 C ATOM 163 C GLY A 10 3.038 22.234 -0.292 1.00 0.00 C ATOM 164 O GLY A 10 2.476 23.100 0.381 1.00 0.00 O ATOM 0 H GLY A 10 4.155 19.367 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.531 21.055 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.845 21.231 0.285 1.00 0.00 H new ATOM 168 N LYS A 11 2.984 22.202 -1.619 1.00 0.00 N ATOM 169 CA LYS A 11 2.341 23.219 -2.403 1.00 0.00 C ATOM 170 C LYS A 11 0.860 23.243 -2.160 1.00 0.00 C ATOM 171 O LYS A 11 0.238 24.301 -2.209 1.00 0.00 O ATOM 172 CB LYS A 11 2.647 22.983 -3.859 1.00 0.00 C ATOM 173 CG LYS A 11 4.065 23.319 -4.220 1.00 0.00 C ATOM 174 CD LYS A 11 4.291 24.828 -4.218 1.00 0.00 C ATOM 175 CE LYS A 11 5.763 25.182 -4.327 1.00 0.00 C ATOM 176 NZ LYS A 11 6.506 24.758 -3.121 1.00 0.00 N ATOM 0 H LYS A 11 3.395 21.453 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 11 2.727 24.194 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.454 21.938 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.971 23.582 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.745 22.846 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.298 22.915 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.747 25.277 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.882 25.255 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.191 24.703 -5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.872 26.258 -4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.338 25.369 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.888 24.835 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.815 23.771 -3.233 1.00 0.00 H new ATOM 190 N ILE A 12 0.309 22.080 -1.895 1.00 0.00 N ATOM 191 CA ILE A 12 -1.096 21.952 -1.541 1.00 0.00 C ATOM 192 C ILE A 12 -1.396 22.825 -0.326 1.00 0.00 C ATOM 193 O ILE A 12 -2.287 23.672 -0.363 1.00 0.00 O ATOM 194 CB ILE A 12 -1.491 20.483 -1.224 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.293 19.599 -2.455 1.00 0.00 C ATOM 196 CG2 ILE A 12 -2.933 20.399 -0.728 1.00 0.00 C ATOM 197 CD1 ILE A 12 -1.673 18.150 -2.243 1.00 0.00 C ATOM 0 H ILE A 12 0.816 21.195 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.682 22.276 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.840 20.121 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.884 20.002 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.248 19.648 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.184 19.360 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.041 20.993 0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.605 20.783 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.503 17.591 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.064 17.727 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.726 18.086 -1.969 1.00 0.00 H new ATOM 209 N THR A 13 -0.609 22.654 0.714 1.00 0.00 N ATOM 210 CA THR A 13 -0.764 23.402 1.938 1.00 0.00 C ATOM 211 C THR A 13 -0.527 24.888 1.703 1.00 0.00 C ATOM 212 O THR A 13 -1.253 25.743 2.221 1.00 0.00 O ATOM 213 CB THR A 13 0.227 22.887 2.967 1.00 0.00 C ATOM 214 OG1 THR A 13 0.066 21.458 3.054 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.040 23.502 4.337 1.00 0.00 C ATOM 0 H THR A 13 0.162 21.986 0.732 1.00 0.00 H new ATOM 0 HA THR A 13 -1.784 23.270 2.300 1.00 0.00 H new ATOM 0 HB THR A 13 1.239 23.156 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.696 21.097 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.683 23.117 5.056 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.053 24.586 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.048 23.243 4.662 1.00 0.00 H new ATOM 223 N GLU A 14 0.452 25.173 0.897 1.00 0.00 N ATOM 224 CA GLU A 14 0.824 26.518 0.587 1.00 0.00 C ATOM 225 C GLU A 14 -0.262 27.298 -0.149 1.00 0.00 C ATOM 226 O GLU A 14 -0.510 28.462 0.162 1.00 0.00 O ATOM 227 CB GLU A 14 2.095 26.543 -0.221 1.00 0.00 C ATOM 228 CG GLU A 14 3.388 26.249 0.514 1.00 0.00 C ATOM 229 CD GLU A 14 4.590 26.426 -0.390 1.00 0.00 C ATOM 230 OE1 GLU A 14 5.055 27.577 -0.555 1.00 0.00 O ATOM 231 OE2 GLU A 14 5.092 25.444 -0.961 1.00 0.00 O ATOM 0 H GLU A 14 1.022 24.467 0.431 1.00 0.00 H new ATOM 0 HA GLU A 14 0.977 27.012 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.995 25.821 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.184 27.527 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.478 26.912 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.366 25.229 0.898 1.00 0.00 H new ATOM 238 N LYS A 15 -0.913 26.668 -1.085 1.00 0.00 N ATOM 239 CA LYS A 15 -1.808 27.338 -1.946 1.00 0.00 C ATOM 240 C LYS A 15 -3.223 27.249 -1.476 1.00 0.00 C ATOM 241 O LYS A 15 -3.975 28.231 -1.487 1.00 0.00 O ATOM 242 CB LYS A 15 -1.725 26.690 -3.301 1.00 0.00 C ATOM 243 CG LYS A 15 -0.796 27.363 -4.300 1.00 0.00 C ATOM 244 CD LYS A 15 0.642 27.314 -3.821 1.00 0.00 C ATOM 245 CE LYS A 15 1.607 27.930 -4.805 1.00 0.00 C ATOM 246 NZ LYS A 15 1.384 29.371 -5.023 1.00 0.00 N ATOM 0 H LYS A 15 -0.828 25.667 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.527 28.391 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.401 25.658 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.727 26.658 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.878 26.869 -5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.100 28.400 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.720 27.835 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.925 26.277 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.625 27.778 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.523 27.409 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.239 29.796 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.584 29.504 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.172 29.831 -4.115 1.00 0.00 H new ATOM 260 N CYS A 16 -3.589 26.084 -1.073 1.00 0.00 N ATOM 261 CA CYS A 16 -4.901 25.803 -0.780 1.00 0.00 C ATOM 262 C CYS A 16 -5.049 25.568 0.693 1.00 0.00 C ATOM 263 O CYS A 16 -5.967 26.061 1.311 1.00 0.00 O ATOM 264 CB CYS A 16 -5.253 24.553 -1.546 1.00 0.00 C ATOM 265 SG CYS A 16 -4.941 24.650 -3.326 1.00 0.00 S ATOM 0 H CYS A 16 -2.950 25.299 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.559 26.627 -1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.685 23.718 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.308 24.329 -1.387 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.652 23.467 -3.781 1.00 0.00 H new ATOM 271 N GLY A 17 -4.119 24.851 1.264 1.00 0.00 N ATOM 272 CA GLY A 17 -4.261 24.474 2.617 1.00 0.00 C ATOM 273 C GLY A 17 -4.222 22.992 2.788 1.00 0.00 C ATOM 274 O GLY A 17 -3.251 22.421 3.274 1.00 0.00 O ATOM 0 H GLY A 17 -3.267 24.526 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.465 24.929 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.204 24.860 3.004 1.00 0.00 H new ATOM 278 N THR A 18 -5.250 22.367 2.335 1.00 0.00 N ATOM 279 CA THR A 18 -5.448 20.944 2.522 1.00 0.00 C ATOM 280 C THR A 18 -5.921 20.331 1.213 1.00 0.00 C ATOM 281 O THR A 18 -6.084 21.053 0.222 1.00 0.00 O ATOM 282 CB THR A 18 -6.532 20.708 3.593 1.00 0.00 C ATOM 283 OG1 THR A 18 -7.788 21.199 3.108 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.176 21.443 4.870 1.00 0.00 C ATOM 0 H THR A 18 -5.999 22.823 1.813 1.00 0.00 H new ATOM 0 HA THR A 18 -4.510 20.488 2.838 1.00 0.00 H new ATOM 0 HB THR A 18 -6.599 19.640 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.481 21.050 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.949 21.268 5.618 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.220 21.079 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.103 22.511 4.667 1.00 0.00 H new ATOM 292 N GLN A 19 -6.178 19.025 1.207 1.00 0.00 N ATOM 293 CA GLN A 19 -6.647 18.348 0.006 1.00 0.00 C ATOM 294 C GLN A 19 -8.115 18.696 -0.292 1.00 0.00 C ATOM 295 O GLN A 19 -8.561 18.611 -1.432 1.00 0.00 O ATOM 296 CB GLN A 19 -6.405 16.837 0.093 1.00 0.00 C ATOM 297 CG GLN A 19 -4.916 16.481 0.168 1.00 0.00 C ATOM 298 CD GLN A 19 -4.647 14.993 0.277 1.00 0.00 C ATOM 299 OE1 GLN A 19 -4.478 14.340 -0.830 1.00 0.00 O flip ATOM 300 NE2 GLN A 19 -4.574 14.438 1.378 1.00 0.00 N flip ATOM 0 H GLN A 19 -6.069 18.418 2.019 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.063 18.710 -0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.914 16.441 0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.847 16.351 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.415 16.867 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.475 16.984 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.712 14.979 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.376 13.439 1.433 1.00 0.00 H new ATOM 309 N TYR A 20 -8.841 19.119 0.737 1.00 0.00 N ATOM 310 CA TYR A 20 -10.217 19.606 0.585 1.00 0.00 C ATOM 311 C TYR A 20 -10.187 20.885 -0.191 1.00 0.00 C ATOM 312 O TYR A 20 -10.825 21.030 -1.225 1.00 0.00 O ATOM 313 CB TYR A 20 -10.816 19.914 1.955 1.00 0.00 C ATOM 314 CG TYR A 20 -12.208 20.529 1.913 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.327 19.767 1.626 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.386 21.883 2.170 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.586 20.342 1.593 1.00 0.00 C ATOM 318 CE2 TYR A 20 -13.632 22.461 2.139 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.729 21.692 1.853 1.00 0.00 C ATOM 320 OH TYR A 20 -15.985 22.277 1.822 1.00 0.00 O ATOM 0 H TYR A 20 -8.499 19.136 1.698 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.811 18.845 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.858 18.992 2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.148 20.594 2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.217 18.712 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.526 22.495 2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.452 19.739 1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.746 23.516 2.339 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.906 23.232 2.029 1.00 0.00 H new ATOM 330 N ASN A 21 -9.448 21.806 0.358 1.00 0.00 N ATOM 331 CA ASN A 21 -9.236 23.140 -0.193 1.00 0.00 C ATOM 332 C ASN A 21 -8.684 23.044 -1.614 1.00 0.00 C ATOM 333 O ASN A 21 -9.071 23.802 -2.492 1.00 0.00 O ATOM 334 CB ASN A 21 -8.225 23.872 0.662 1.00 0.00 C ATOM 335 CG ASN A 21 -8.631 24.124 2.122 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.481 23.438 2.694 1.00 0.00 O ATOM 337 ND2 ASN A 21 -7.973 25.064 2.737 1.00 0.00 N ATOM 0 H ASN A 21 -8.952 21.655 1.236 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.188 23.671 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.296 23.302 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.012 24.833 0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.154 25.252 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.276 25.613 2.233 1.00 0.00 H new ATOM 344 N PHE A 22 -7.754 22.110 -1.801 1.00 0.00 N ATOM 345 CA PHE A 22 -7.153 21.785 -3.104 1.00 0.00 C ATOM 346 C PHE A 22 -8.256 21.481 -4.092 1.00 0.00 C ATOM 347 O PHE A 22 -8.328 22.061 -5.181 1.00 0.00 O ATOM 348 CB PHE A 22 -6.297 20.536 -2.926 1.00 0.00 C ATOM 349 CG PHE A 22 -5.436 20.139 -4.096 1.00 0.00 C ATOM 350 CD1 PHE A 22 -5.840 19.135 -4.956 1.00 0.00 C ATOM 351 CD2 PHE A 22 -4.215 20.745 -4.314 1.00 0.00 C ATOM 352 CE1 PHE A 22 -5.044 18.742 -6.011 1.00 0.00 C ATOM 353 CE2 PHE A 22 -3.415 20.359 -5.372 1.00 0.00 C ATOM 354 CZ PHE A 22 -3.829 19.357 -6.219 1.00 0.00 C ATOM 0 H PHE A 22 -7.385 21.543 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.552 22.618 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.650 20.686 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.957 19.701 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.793 18.651 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.882 21.529 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.372 17.954 -6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.464 20.844 -5.534 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.203 19.053 -7.045 1.00 0.00 H new ATOM 364 N ALA A 23 -9.124 20.576 -3.674 1.00 0.00 N ATOM 365 CA ALA A 23 -10.272 20.163 -4.455 1.00 0.00 C ATOM 366 C ALA A 23 -11.159 21.371 -4.807 1.00 0.00 C ATOM 367 O ALA A 23 -11.624 21.489 -5.937 1.00 0.00 O ATOM 368 CB ALA A 23 -11.081 19.111 -3.698 1.00 0.00 C ATOM 0 H ALA A 23 -9.049 20.104 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.911 19.723 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.940 18.811 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.454 18.241 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.427 19.529 -2.753 1.00 0.00 H new ATOM 374 N ILE A 24 -11.358 22.270 -3.833 1.00 0.00 N ATOM 375 CA ILE A 24 -12.143 23.498 -4.009 1.00 0.00 C ATOM 376 C ILE A 24 -11.534 24.363 -5.111 1.00 0.00 C ATOM 377 O ILE A 24 -12.199 24.721 -6.094 1.00 0.00 O ATOM 378 CB ILE A 24 -12.120 24.328 -2.708 1.00 0.00 C ATOM 379 CG1 ILE A 24 -12.652 23.510 -1.541 1.00 0.00 C ATOM 380 CG2 ILE A 24 -12.907 25.636 -2.859 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.116 23.186 -1.599 1.00 0.00 C ATOM 0 H ILE A 24 -10.975 22.164 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.162 23.211 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.083 24.591 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.092 22.576 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.453 24.054 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.869 26.194 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.468 26.235 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.945 25.410 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.394 22.601 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.693 24.111 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.326 22.610 -2.501 1.00 0.00 H new ATOM 393 N ALA A 25 -10.255 24.650 -4.946 1.00 0.00 N ATOM 394 CA ALA A 25 -9.516 25.511 -5.842 1.00 0.00 C ATOM 395 C ALA A 25 -9.438 24.931 -7.256 1.00 0.00 C ATOM 396 O ALA A 25 -9.404 25.673 -8.237 1.00 0.00 O ATOM 397 CB ALA A 25 -8.136 25.779 -5.273 1.00 0.00 C ATOM 0 H ALA A 25 -9.696 24.285 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.050 26.458 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.583 26.428 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.231 26.265 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.601 24.836 -5.156 1.00 0.00 H new ATOM 403 N MET A 26 -9.412 23.615 -7.358 1.00 0.00 N ATOM 404 CA MET A 26 -9.407 22.964 -8.658 1.00 0.00 C ATOM 405 C MET A 26 -10.806 22.836 -9.249 1.00 0.00 C ATOM 406 O MET A 26 -10.978 22.897 -10.464 1.00 0.00 O ATOM 407 CB MET A 26 -8.710 21.607 -8.622 1.00 0.00 C ATOM 408 CG MET A 26 -7.199 21.682 -8.547 1.00 0.00 C ATOM 409 SD MET A 26 -6.405 20.073 -8.774 1.00 0.00 S ATOM 410 CE MET A 26 -6.903 19.647 -10.446 1.00 0.00 C ATOM 0 H MET A 26 -9.394 22.978 -6.562 1.00 0.00 H new ATOM 0 HA MET A 26 -8.831 23.616 -9.315 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.077 21.046 -7.762 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.990 21.044 -9.513 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.836 22.372 -9.309 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.908 22.093 -7.580 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.600 18.810 -10.416 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.387 20.506 -10.911 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.024 19.367 -11.027 1.00 0.00 H new ATOM 420 N GLY A 27 -11.791 22.655 -8.403 1.00 0.00 N ATOM 421 CA GLY A 27 -13.152 22.542 -8.868 1.00 0.00 C ATOM 422 C GLY A 27 -13.627 21.103 -8.924 1.00 0.00 C ATOM 423 O GLY A 27 -14.424 20.733 -9.792 1.00 0.00 O ATOM 0 H GLY A 27 -11.676 22.583 -7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.807 23.112 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.232 22.987 -9.860 1.00 0.00 H new ATOM 427 N LEU A 28 -13.131 20.293 -8.025 1.00 0.00 N ATOM 428 CA LEU A 28 -13.517 18.896 -7.929 1.00 0.00 C ATOM 429 C LEU A 28 -13.999 18.630 -6.537 1.00 0.00 C ATOM 430 O LEU A 28 -13.789 19.443 -5.642 1.00 0.00 O ATOM 431 CB LEU A 28 -12.326 17.937 -8.189 1.00 0.00 C ATOM 432 CG LEU A 28 -11.732 17.837 -9.599 1.00 0.00 C ATOM 433 CD1 LEU A 28 -12.791 17.470 -10.625 1.00 0.00 C ATOM 434 CD2 LEU A 28 -10.967 19.090 -9.988 1.00 0.00 C ATOM 0 H LEU A 28 -12.442 20.580 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.286 18.717 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.520 18.227 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.643 16.936 -7.896 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.005 17.025 -9.584 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.334 17.408 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.229 16.506 -10.367 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.570 18.232 -10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.565 18.973 -10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.638 19.948 -9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.148 19.249 -9.286 1.00 0.00 H new ATOM 446 N SER A 29 -14.638 17.522 -6.346 1.00 0.00 N ATOM 447 CA SER A 29 -14.986 17.092 -5.038 1.00 0.00 C ATOM 448 C SER A 29 -13.725 16.473 -4.449 1.00 0.00 C ATOM 449 O SER A 29 -12.849 15.984 -5.211 1.00 0.00 O ATOM 450 CB SER A 29 -16.117 16.056 -5.105 1.00 0.00 C ATOM 451 OG SER A 29 -16.555 15.658 -3.808 1.00 0.00 O ATOM 0 H SER A 29 -14.932 16.893 -7.093 1.00 0.00 H new ATOM 0 HA SER A 29 -15.343 17.919 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.958 16.473 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.774 15.180 -5.656 1.00 0.00 H new ATOM 0 HG SER A 29 -17.276 15.000 -3.894 1.00 0.00 H new ATOM 457 N GLU A 30 -13.613 16.469 -3.133 1.00 0.00 N ATOM 458 CA GLU A 30 -12.436 15.923 -2.480 1.00 0.00 C ATOM 459 C GLU A 30 -12.295 14.444 -2.795 1.00 0.00 C ATOM 460 O GLU A 30 -11.204 13.938 -2.871 1.00 0.00 O ATOM 461 CB GLU A 30 -12.455 16.139 -0.965 1.00 0.00 C ATOM 462 CG GLU A 30 -13.664 15.549 -0.279 1.00 0.00 C ATOM 463 CD GLU A 30 -13.491 15.443 1.207 1.00 0.00 C ATOM 464 OE1 GLU A 30 -13.450 16.475 1.885 1.00 0.00 O ATOM 465 OE2 GLU A 30 -13.418 14.306 1.734 1.00 0.00 O ATOM 0 H GLU A 30 -14.320 16.836 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.574 16.462 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.555 15.701 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.419 17.209 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.537 16.165 -0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.863 14.559 -0.689 1.00 0.00 H new ATOM 472 N ARG A 31 -13.425 13.792 -3.030 1.00 0.00 N ATOM 473 CA ARG A 31 -13.494 12.371 -3.357 1.00 0.00 C ATOM 474 C ARG A 31 -12.663 12.109 -4.624 1.00 0.00 C ATOM 475 O ARG A 31 -11.815 11.236 -4.647 1.00 0.00 O ATOM 476 CB ARG A 31 -14.977 12.027 -3.614 1.00 0.00 C ATOM 477 CG ARG A 31 -15.410 10.539 -3.563 1.00 0.00 C ATOM 478 CD ARG A 31 -14.711 9.658 -4.580 1.00 0.00 C ATOM 479 NE ARG A 31 -15.461 8.427 -4.856 1.00 0.00 N ATOM 480 CZ ARG A 31 -15.076 7.181 -4.557 1.00 0.00 C ATOM 481 NH1 ARG A 31 -14.064 6.959 -3.711 1.00 0.00 N ATOM 482 NH2 ARG A 31 -15.745 6.157 -5.060 1.00 0.00 N ATOM 0 H ARG A 31 -14.339 14.243 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.100 11.758 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.575 12.572 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.242 12.416 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.215 10.149 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.486 10.479 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.575 10.214 -5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.717 9.401 -4.214 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.363 8.531 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.574 7.745 -3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.782 6.003 -3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.546 6.321 -5.670 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.460 5.203 -4.838 1.00 0.00 H new ATOM 496 N THR A 32 -12.886 12.927 -5.630 1.00 0.00 N ATOM 497 CA THR A 32 -12.259 12.777 -6.935 1.00 0.00 C ATOM 498 C THR A 32 -10.768 13.044 -6.821 1.00 0.00 C ATOM 499 O THR A 32 -9.934 12.300 -7.357 1.00 0.00 O ATOM 500 CB THR A 32 -12.897 13.782 -7.902 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.320 13.716 -7.746 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.535 13.473 -9.346 1.00 0.00 C ATOM 0 H THR A 32 -13.516 13.727 -5.568 1.00 0.00 H new ATOM 0 HA THR A 32 -12.405 11.762 -7.305 1.00 0.00 H new ATOM 0 HB THR A 32 -12.523 14.779 -7.670 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.746 14.354 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.004 14.205 -10.003 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.453 13.517 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.888 12.475 -9.604 1.00 0.00 H new ATOM 510 N VAL A 33 -10.451 14.078 -6.088 1.00 0.00 N ATOM 511 CA VAL A 33 -9.116 14.463 -5.814 1.00 0.00 C ATOM 512 C VAL A 33 -8.403 13.420 -5.074 1.00 0.00 C ATOM 513 O VAL A 33 -7.283 13.098 -5.395 1.00 0.00 O ATOM 514 CB VAL A 33 -9.130 15.752 -5.014 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.784 16.140 -4.537 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.571 16.785 -5.901 1.00 0.00 C ATOM 0 H VAL A 33 -11.147 14.687 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.593 14.614 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.773 15.611 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.852 17.069 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.384 15.353 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.123 16.284 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.597 17.735 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.883 16.860 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.569 16.547 -6.269 1.00 0.00 H new ATOM 526 N SER A 34 -9.056 12.840 -4.142 1.00 0.00 N ATOM 527 CA SER A 34 -8.390 11.936 -3.321 1.00 0.00 C ATOM 528 C SER A 34 -8.202 10.562 -4.023 1.00 0.00 C ATOM 529 O SER A 34 -7.500 9.686 -3.518 1.00 0.00 O ATOM 530 CB SER A 34 -9.061 11.814 -1.967 1.00 0.00 C ATOM 531 OG SER A 34 -9.203 13.103 -1.364 1.00 0.00 O ATOM 0 H SER A 34 -10.045 12.980 -3.937 1.00 0.00 H new ATOM 0 HA SER A 34 -7.390 12.329 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.040 11.348 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.472 11.165 -1.319 1.00 0.00 H new ATOM 0 HG SER A 34 -9.873 13.622 -1.856 1.00 0.00 H new ATOM 537 N LEU A 35 -8.867 10.376 -5.162 1.00 0.00 N ATOM 538 CA LEU A 35 -8.667 9.188 -5.960 1.00 0.00 C ATOM 539 C LEU A 35 -7.516 9.414 -6.942 1.00 0.00 C ATOM 540 O LEU A 35 -6.566 8.600 -7.025 1.00 0.00 O ATOM 541 CB LEU A 35 -9.936 8.823 -6.728 1.00 0.00 C ATOM 542 CG LEU A 35 -11.165 8.456 -5.906 1.00 0.00 C ATOM 543 CD1 LEU A 35 -12.332 8.152 -6.828 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.879 7.268 -4.998 1.00 0.00 C ATOM 0 H LEU A 35 -9.545 11.036 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.422 8.363 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.197 9.665 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.705 7.983 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.424 9.305 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.207 7.890 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.555 9.030 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.073 7.317 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.773 7.027 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.594 6.408 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.065 7.518 -4.317 1.00 0.00 H new ATOM 556 N LYS A 36 -7.596 10.519 -7.682 1.00 0.00 N ATOM 557 CA LYS A 36 -6.602 10.874 -8.644 1.00 0.00 C ATOM 558 C LYS A 36 -5.304 11.228 -8.000 1.00 0.00 C ATOM 559 O LYS A 36 -4.265 10.658 -8.318 1.00 0.00 O ATOM 560 CB LYS A 36 -7.082 11.995 -9.474 1.00 0.00 C ATOM 561 CG LYS A 36 -8.241 11.595 -10.323 1.00 0.00 C ATOM 562 CD LYS A 36 -8.514 12.644 -11.295 1.00 0.00 C ATOM 563 CE LYS A 36 -9.860 12.433 -11.965 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.064 13.331 -13.112 1.00 0.00 N ATOM 0 H LYS A 36 -8.365 11.185 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.426 10.003 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.371 12.826 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.271 12.351 -10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.024 10.657 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.119 11.423 -9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.499 13.615 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.727 12.659 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.938 11.398 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.654 12.593 -11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.081 13.508 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.574 14.232 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.681 12.889 -13.972 1.00 0.00 H new ATOM 578 N LEU A 37 -5.374 12.112 -7.030 1.00 0.00 N ATOM 579 CA LEU A 37 -4.213 12.565 -6.300 1.00 0.00 C ATOM 580 C LEU A 37 -3.922 11.605 -5.171 1.00 0.00 C ATOM 581 O LEU A 37 -3.939 11.940 -3.979 1.00 0.00 O ATOM 582 CB LEU A 37 -4.391 14.023 -5.823 1.00 0.00 C ATOM 583 CG LEU A 37 -3.282 14.627 -5.008 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.133 14.989 -5.862 1.00 0.00 C ATOM 585 CD2 LEU A 37 -3.766 15.787 -4.169 1.00 0.00 C ATOM 0 H LEU A 37 -6.247 12.540 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.345 12.571 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.541 14.649 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.307 14.075 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.934 13.869 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.345 15.424 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.754 14.096 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.451 15.715 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.933 16.194 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.172 16.562 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.543 15.443 -3.486 1.00 0.00 H new ATOM 597 N ASN A 38 -3.747 10.389 -5.561 1.00 0.00 N ATOM 598 CA ASN A 38 -3.409 9.362 -4.688 1.00 0.00 C ATOM 599 C ASN A 38 -2.653 8.313 -5.488 1.00 0.00 C ATOM 600 O ASN A 38 -1.418 8.280 -5.470 1.00 0.00 O ATOM 601 CB ASN A 38 -4.674 8.785 -4.119 1.00 0.00 C ATOM 602 CG ASN A 38 -4.495 7.973 -2.890 1.00 0.00 C ATOM 603 OD1 ASN A 38 -3.475 7.343 -2.660 1.00 0.00 O ATOM 604 ND2 ASN A 38 -5.505 7.994 -2.098 1.00 0.00 N ATOM 0 H ASN A 38 -3.843 10.091 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.786 9.717 -3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.362 9.602 -3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.148 8.165 -4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.480 7.466 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.333 8.539 -2.341 1.00 0.00 H new ATOM 611 N ASP A 39 -3.401 7.541 -6.284 1.00 0.00 N ATOM 612 CA ASP A 39 -2.835 6.465 -7.117 1.00 0.00 C ATOM 613 C ASP A 39 -3.921 5.703 -7.894 1.00 0.00 C ATOM 614 O ASP A 39 -3.586 4.862 -8.725 1.00 0.00 O ATOM 615 CB ASP A 39 -2.032 5.417 -6.277 1.00 0.00 C ATOM 616 CG ASP A 39 -2.899 4.429 -5.484 1.00 0.00 C ATOM 617 OD1 ASP A 39 -3.212 3.333 -6.000 1.00 0.00 O ATOM 618 OD2 ASP A 39 -3.268 4.728 -4.334 1.00 0.00 O ATOM 0 H ASP A 39 -4.412 7.641 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.164 6.971 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.384 4.853 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.383 5.950 -5.581 1.00 0.00 H new ATOM 623 N LYS A 40 -5.222 6.015 -7.676 1.00 0.00 N ATOM 624 CA LYS A 40 -6.258 5.174 -8.176 1.00 0.00 C ATOM 625 C LYS A 40 -6.513 5.484 -9.586 1.00 0.00 C ATOM 626 O LYS A 40 -6.719 4.587 -10.398 1.00 0.00 O ATOM 627 CB LYS A 40 -7.562 5.389 -7.411 1.00 0.00 C ATOM 628 CG LYS A 40 -7.408 5.584 -5.891 1.00 0.00 C ATOM 629 CD LYS A 40 -6.635 4.447 -5.235 1.00 0.00 C ATOM 630 CE LYS A 40 -6.422 4.706 -3.749 1.00 0.00 C ATOM 631 NZ LYS A 40 -5.486 3.731 -3.156 1.00 0.00 N ATOM 0 H LYS A 40 -5.543 6.836 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.929 4.142 -8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.066 6.263 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.213 4.533 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.896 6.527 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.395 5.659 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.178 3.511 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.670 4.329 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.035 5.715 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.379 4.655 -3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.404 3.906 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.842 2.767 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.551 3.832 -3.601 1.00 0.00 H new ATOM 645 N VAL A 41 -6.490 6.744 -9.910 1.00 0.00 N ATOM 646 CA VAL A 41 -6.875 7.093 -11.207 1.00 0.00 C ATOM 647 C VAL A 41 -5.764 7.904 -11.827 1.00 0.00 C ATOM 648 O VAL A 41 -4.774 8.219 -11.154 1.00 0.00 O ATOM 649 CB VAL A 41 -8.186 7.893 -11.229 1.00 0.00 C ATOM 650 CG1 VAL A 41 -9.068 7.264 -12.210 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.874 7.960 -9.895 1.00 0.00 C ATOM 0 H VAL A 41 -6.214 7.513 -9.300 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.054 6.180 -11.775 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.950 8.924 -11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.012 7.808 -12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.594 7.284 -13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.257 6.231 -11.919 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.792 8.540 -9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.115 6.952 -9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.215 8.437 -9.169 1.00 0.00 H new ATOM 661 N THR A 42 -5.926 8.263 -13.049 1.00 0.00 N ATOM 662 CA THR A 42 -4.892 8.897 -13.791 1.00 0.00 C ATOM 663 C THR A 42 -5.127 10.420 -13.883 1.00 0.00 C ATOM 664 O THR A 42 -6.225 10.924 -13.614 1.00 0.00 O ATOM 665 CB THR A 42 -4.901 8.306 -15.208 1.00 0.00 C ATOM 666 OG1 THR A 42 -5.180 6.890 -15.128 1.00 0.00 O ATOM 667 CG2 THR A 42 -3.560 8.486 -15.882 1.00 0.00 C ATOM 0 H THR A 42 -6.791 8.124 -13.571 1.00 0.00 H new ATOM 0 HA THR A 42 -3.937 8.729 -13.294 1.00 0.00 H new ATOM 0 HB THR A 42 -5.664 8.825 -15.788 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.189 6.507 -16.030 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.596 8.058 -16.884 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.326 9.549 -15.949 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.789 7.981 -15.299 1.00 0.00 H new ATOM 675 N TRP A 43 -4.087 11.123 -14.239 1.00 0.00 N ATOM 676 CA TRP A 43 -4.149 12.527 -14.519 1.00 0.00 C ATOM 677 C TRP A 43 -4.058 12.732 -16.002 1.00 0.00 C ATOM 678 O TRP A 43 -3.056 12.375 -16.630 1.00 0.00 O ATOM 679 CB TRP A 43 -3.011 13.310 -13.868 1.00 0.00 C ATOM 680 CG TRP A 43 -3.196 13.660 -12.433 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.038 14.608 -11.933 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.486 13.125 -11.318 1.00 0.00 C ATOM 683 NE1 TRP A 43 -3.903 14.688 -10.575 1.00 0.00 N ATOM 684 CE2 TRP A 43 -2.954 13.791 -10.171 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.502 12.145 -11.175 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.469 13.515 -8.906 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.027 11.870 -9.911 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.511 12.557 -8.795 1.00 0.00 C ATOM 0 H TRP A 43 -3.154 10.725 -14.344 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.091 12.894 -14.112 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.095 12.728 -13.964 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.863 14.232 -14.430 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.714 15.209 -12.524 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.425 15.315 -9.963 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.122 11.614 -12.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.838 14.041 -8.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.269 11.112 -9.781 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.114 12.321 -7.819 1.00 0.00 H new ATOM 699 N LYS A 44 -5.093 13.261 -16.570 1.00 0.00 N ATOM 700 CA LYS A 44 -5.074 13.616 -17.951 1.00 0.00 C ATOM 701 C LYS A 44 -4.402 14.973 -18.053 1.00 0.00 C ATOM 702 O LYS A 44 -4.312 15.679 -17.045 1.00 0.00 O ATOM 703 CB LYS A 44 -6.505 13.669 -18.492 1.00 0.00 C ATOM 704 CG LYS A 44 -7.260 12.343 -18.402 1.00 0.00 C ATOM 705 CD LYS A 44 -6.567 11.254 -19.207 1.00 0.00 C ATOM 706 CE LYS A 44 -7.314 9.931 -19.143 1.00 0.00 C ATOM 707 NZ LYS A 44 -8.671 10.020 -19.730 1.00 0.00 N ATOM 0 H LYS A 44 -5.972 13.458 -16.092 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.528 12.881 -18.543 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.061 14.428 -17.942 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.476 13.987 -19.534 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.334 12.035 -17.359 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.278 12.477 -18.768 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.481 11.571 -20.246 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.553 11.116 -18.831 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.742 9.168 -19.671 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.391 9.610 -18.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.074 9.065 -19.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.279 10.597 -19.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.614 10.460 -20.671 1.00 0.00 H new ATOM 721 N ASP A 45 -3.939 15.348 -19.225 1.00 0.00 N ATOM 722 CA ASP A 45 -3.249 16.643 -19.401 1.00 0.00 C ATOM 723 C ASP A 45 -4.162 17.800 -19.011 1.00 0.00 C ATOM 724 O ASP A 45 -3.723 18.777 -18.412 1.00 0.00 O ATOM 725 CB ASP A 45 -2.745 16.819 -20.835 1.00 0.00 C ATOM 726 CG ASP A 45 -2.022 18.139 -21.052 1.00 0.00 C ATOM 727 OD1 ASP A 45 -0.788 18.218 -20.785 1.00 0.00 O ATOM 728 OD2 ASP A 45 -2.659 19.108 -21.530 1.00 0.00 O ATOM 0 H ASP A 45 -4.018 14.791 -20.076 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.383 16.646 -18.740 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.072 15.998 -21.081 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.589 16.756 -21.521 1.00 0.00 H new ATOM 733 N ASP A 46 -5.447 17.642 -19.296 1.00 0.00 N ATOM 734 CA ASP A 46 -6.466 18.637 -18.936 1.00 0.00 C ATOM 735 C ASP A 46 -6.605 18.773 -17.406 1.00 0.00 C ATOM 736 O ASP A 46 -6.935 19.843 -16.887 1.00 0.00 O ATOM 737 CB ASP A 46 -7.810 18.289 -19.584 1.00 0.00 C ATOM 738 CG ASP A 46 -8.910 19.278 -19.242 1.00 0.00 C ATOM 739 OD1 ASP A 46 -8.834 20.453 -19.669 1.00 0.00 O ATOM 740 OD2 ASP A 46 -9.886 18.892 -18.568 1.00 0.00 O ATOM 0 H ASP A 46 -5.819 16.826 -19.782 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.142 19.604 -19.320 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.686 18.253 -20.666 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.114 17.292 -19.264 1.00 0.00 H new ATOM 745 N GLU A 47 -6.300 17.699 -16.691 1.00 0.00 N ATOM 746 CA GLU A 47 -6.331 17.716 -15.228 1.00 0.00 C ATOM 747 C GLU A 47 -5.066 18.402 -14.733 1.00 0.00 C ATOM 748 O GLU A 47 -5.094 19.231 -13.819 1.00 0.00 O ATOM 749 CB GLU A 47 -6.371 16.286 -14.659 1.00 0.00 C ATOM 750 CG GLU A 47 -7.567 15.453 -15.085 1.00 0.00 C ATOM 751 CD GLU A 47 -8.874 16.028 -14.618 1.00 0.00 C ATOM 752 OE1 GLU A 47 -9.550 16.699 -15.407 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.259 15.804 -13.457 1.00 0.00 O ATOM 0 H GLU A 47 -6.028 16.803 -17.096 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.225 18.246 -14.898 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.461 15.767 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.359 16.345 -13.571 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.579 15.372 -16.172 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.459 14.442 -14.691 1.00 0.00 H new ATOM 760 N ILE A 48 -3.960 18.060 -15.377 1.00 0.00 N ATOM 761 CA ILE A 48 -2.657 18.602 -15.044 1.00 0.00 C ATOM 762 C ILE A 48 -2.634 20.119 -15.249 1.00 0.00 C ATOM 763 O ILE A 48 -2.230 20.859 -14.352 1.00 0.00 O ATOM 764 CB ILE A 48 -1.526 17.925 -15.874 1.00 0.00 C ATOM 765 CG1 ILE A 48 -1.506 16.411 -15.600 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.167 18.544 -15.547 1.00 0.00 C ATOM 767 CD1 ILE A 48 -0.470 15.641 -16.396 1.00 0.00 C ATOM 0 H ILE A 48 -3.944 17.394 -16.150 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.472 18.388 -13.991 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.727 18.090 -16.932 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.323 16.249 -14.538 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.492 16.002 -15.820 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.607 18.055 -16.138 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.186 19.608 -15.782 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.048 18.411 -14.487 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.527 14.583 -16.140 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.662 15.767 -17.461 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.525 16.019 -16.160 1.00 0.00 H new ATOM 779 N LEU A 49 -3.132 20.581 -16.403 1.00 0.00 N ATOM 780 CA LEU A 49 -3.146 22.007 -16.710 1.00 0.00 C ATOM 781 C LEU A 49 -4.011 22.783 -15.747 1.00 0.00 C ATOM 782 O LEU A 49 -3.804 23.984 -15.530 1.00 0.00 O ATOM 783 CB LEU A 49 -3.501 22.287 -18.183 1.00 0.00 C ATOM 784 CG LEU A 49 -4.897 21.935 -18.640 1.00 0.00 C ATOM 785 CD1 LEU A 49 -5.909 22.983 -18.195 1.00 0.00 C ATOM 786 CD2 LEU A 49 -4.935 21.742 -20.122 1.00 0.00 C ATOM 0 H LEU A 49 -3.527 19.988 -17.132 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.127 22.369 -16.572 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.342 23.349 -18.372 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.794 21.743 -18.809 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.176 20.993 -18.168 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.903 22.699 -18.540 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.908 23.050 -17.107 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.641 23.951 -18.619 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.950 21.489 -20.430 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.624 22.662 -20.617 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.259 20.934 -20.401 1.00 0.00 H new ATOM 798 N LYS A 50 -4.979 22.098 -15.163 1.00 0.00 N ATOM 799 CA LYS A 50 -5.862 22.715 -14.229 1.00 0.00 C ATOM 800 C LYS A 50 -5.076 23.002 -12.974 1.00 0.00 C ATOM 801 O LYS A 50 -5.007 24.137 -12.521 1.00 0.00 O ATOM 802 CB LYS A 50 -7.048 21.799 -13.918 1.00 0.00 C ATOM 803 CG LYS A 50 -8.384 22.500 -13.983 1.00 0.00 C ATOM 804 CD LYS A 50 -8.456 23.684 -13.043 1.00 0.00 C ATOM 805 CE LYS A 50 -9.690 24.509 -13.316 1.00 0.00 C ATOM 806 NZ LYS A 50 -10.934 23.769 -13.051 1.00 0.00 N ATOM 0 H LYS A 50 -5.162 21.109 -15.331 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.263 23.638 -14.646 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.049 20.967 -14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.918 21.374 -12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.566 22.837 -15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.176 21.793 -13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.467 23.335 -12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.566 24.302 -13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.667 25.407 -12.698 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.681 24.837 -14.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.743 24.420 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.047 23.016 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.892 23.348 -12.101 1.00 0.00 H new ATOM 820 N ALA A 51 -4.420 21.970 -12.471 1.00 0.00 N ATOM 821 CA ALA A 51 -3.610 22.075 -11.275 1.00 0.00 C ATOM 822 C ALA A 51 -2.501 23.109 -11.450 1.00 0.00 C ATOM 823 O ALA A 51 -2.246 23.881 -10.553 1.00 0.00 O ATOM 824 CB ALA A 51 -3.036 20.727 -10.901 1.00 0.00 C ATOM 0 H ALA A 51 -4.436 21.037 -12.882 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.252 22.411 -10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.431 20.827 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.848 20.024 -10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.415 20.357 -11.717 1.00 0.00 H new ATOM 830 N VAL A 52 -1.886 23.140 -12.629 1.00 0.00 N ATOM 831 CA VAL A 52 -0.834 24.123 -12.959 1.00 0.00 C ATOM 832 C VAL A 52 -1.323 25.551 -12.743 1.00 0.00 C ATOM 833 O VAL A 52 -0.643 26.354 -12.119 1.00 0.00 O ATOM 834 CB VAL A 52 -0.344 23.965 -14.436 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.641 25.056 -14.820 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.314 22.628 -14.628 1.00 0.00 C ATOM 0 H VAL A 52 -2.095 22.490 -13.387 1.00 0.00 H new ATOM 0 HA VAL A 52 0.001 23.926 -12.287 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.222 24.045 -15.076 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.959 24.912 -15.853 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.162 26.030 -14.720 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.510 25.009 -14.163 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.650 22.533 -15.661 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.170 22.544 -13.959 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.400 21.836 -14.404 1.00 0.00 H new ATOM 846 N HIS A 53 -2.521 25.836 -13.198 1.00 0.00 N ATOM 847 CA HIS A 53 -3.063 27.183 -13.120 1.00 0.00 C ATOM 848 C HIS A 53 -3.473 27.521 -11.702 1.00 0.00 C ATOM 849 O HIS A 53 -3.458 28.667 -11.305 1.00 0.00 O ATOM 850 CB HIS A 53 -4.279 27.303 -14.021 1.00 0.00 C ATOM 851 CG HIS A 53 -4.728 28.730 -14.248 1.00 0.00 C ATOM 852 ND1 HIS A 53 -5.859 29.271 -13.682 1.00 0.00 N ATOM 853 CD2 HIS A 53 -4.173 29.724 -14.979 1.00 0.00 C ATOM 854 CE1 HIS A 53 -5.977 30.528 -14.047 1.00 0.00 C ATOM 855 NE2 HIS A 53 -4.967 30.828 -14.832 1.00 0.00 N ATOM 0 H HIS A 53 -3.145 25.154 -13.629 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.286 27.877 -13.442 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.054 26.845 -14.984 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.102 26.738 -13.584 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.271 29.658 -15.569 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.769 31.200 -13.752 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.802 31.738 -15.263 1.00 0.00 H new ATOM 863 N VAL A 54 -3.791 26.517 -10.956 1.00 0.00 N ATOM 864 CA VAL A 54 -4.327 26.697 -9.620 1.00 0.00 C ATOM 865 C VAL A 54 -3.200 26.807 -8.620 1.00 0.00 C ATOM 866 O VAL A 54 -3.144 27.726 -7.804 1.00 0.00 O ATOM 867 CB VAL A 54 -5.276 25.519 -9.246 1.00 0.00 C ATOM 868 CG1 VAL A 54 -5.745 25.620 -7.815 1.00 0.00 C ATOM 869 CG2 VAL A 54 -6.477 25.490 -10.175 1.00 0.00 C ATOM 0 H VAL A 54 -3.692 25.543 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.906 27.620 -9.598 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.709 24.594 -9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.405 24.783 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.884 25.594 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.285 26.556 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.130 24.661 -9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.026 26.428 -10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.139 25.360 -11.203 1.00 0.00 H new ATOM 879 N LEU A 55 -2.303 25.875 -8.711 1.00 0.00 N ATOM 880 CA LEU A 55 -1.172 25.766 -7.877 1.00 0.00 C ATOM 881 C LEU A 55 -0.057 26.718 -8.294 1.00 0.00 C ATOM 882 O LEU A 55 0.978 26.792 -7.626 1.00 0.00 O ATOM 883 CB LEU A 55 -0.712 24.349 -7.983 1.00 0.00 C ATOM 884 CG LEU A 55 -1.393 23.283 -7.123 1.00 0.00 C ATOM 885 CD1 LEU A 55 -0.836 23.289 -5.712 1.00 0.00 C ATOM 886 CD2 LEU A 55 -2.913 23.428 -7.069 1.00 0.00 C ATOM 0 H LEU A 55 -2.354 25.135 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.431 26.036 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.815 24.046 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.352 24.330 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.175 22.330 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.336 22.522 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.234 23.083 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.005 24.266 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.332 22.640 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.171 24.401 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.322 23.347 -8.076 1.00 0.00 H new ATOM 898 N GLU A 56 -0.272 27.414 -9.413 1.00 0.00 N ATOM 899 CA GLU A 56 0.654 28.415 -9.953 1.00 0.00 C ATOM 900 C GLU A 56 1.990 27.762 -10.354 1.00 0.00 C ATOM 901 O GLU A 56 3.069 28.342 -10.186 1.00 0.00 O ATOM 902 CB GLU A 56 0.857 29.562 -8.940 1.00 0.00 C ATOM 903 CG GLU A 56 -0.449 30.224 -8.508 1.00 0.00 C ATOM 904 CD GLU A 56 -0.248 31.340 -7.526 1.00 0.00 C ATOM 905 OE1 GLU A 56 -0.194 31.079 -6.308 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.149 32.508 -7.946 1.00 0.00 O ATOM 0 H GLU A 56 -1.111 27.296 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 56 0.220 28.844 -10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.368 29.173 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.510 30.315 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.961 30.611 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.101 29.472 -8.065 1.00 0.00 H new ATOM 913 N LEU A 57 1.885 26.584 -10.941 1.00 0.00 N ATOM 914 CA LEU A 57 3.033 25.792 -11.352 1.00 0.00 C ATOM 915 C LEU A 57 3.371 26.056 -12.809 1.00 0.00 C ATOM 916 O LEU A 57 2.924 27.047 -13.395 1.00 0.00 O ATOM 917 CB LEU A 57 2.745 24.318 -11.173 1.00 0.00 C ATOM 918 CG LEU A 57 2.282 23.856 -9.793 1.00 0.00 C ATOM 919 CD1 LEU A 57 2.043 22.352 -9.790 1.00 0.00 C ATOM 920 CD2 LEU A 57 3.281 24.249 -8.702 1.00 0.00 C ATOM 0 H LEU A 57 0.989 26.143 -11.149 1.00 0.00 H new ATOM 0 HA LEU A 57 3.880 26.078 -10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.982 24.033 -11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.649 23.765 -11.428 1.00 0.00 H new ATOM 0 HG LEU A 57 1.342 24.360 -9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.714 22.038 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.276 22.104 -10.523 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.969 21.836 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.917 23.903 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.247 23.791 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.390 25.333 -8.682 1.00 0.00 H new ATOM 932 N ASN A 58 4.174 25.195 -13.380 1.00 0.00 N ATOM 933 CA ASN A 58 4.557 25.277 -14.760 1.00 0.00 C ATOM 934 C ASN A 58 4.412 23.886 -15.385 1.00 0.00 C ATOM 935 O ASN A 58 4.697 22.889 -14.721 1.00 0.00 O ATOM 936 CB ASN A 58 6.009 25.759 -14.825 1.00 0.00 C ATOM 937 CG ASN A 58 6.552 25.864 -16.230 1.00 0.00 C ATOM 938 OD1 ASN A 58 7.155 24.925 -16.750 1.00 0.00 O ATOM 939 ND2 ASN A 58 6.318 26.968 -16.858 1.00 0.00 N ATOM 0 H ASN A 58 4.586 24.403 -12.886 1.00 0.00 H new ATOM 0 HA ASN A 58 3.927 25.976 -15.310 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.081 26.734 -14.344 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.636 25.075 -14.253 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.636 27.085 -17.820 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.815 27.723 -16.392 1.00 0.00 H new ATOM 946 N PRO A 59 3.983 23.787 -16.669 1.00 0.00 N ATOM 947 CA PRO A 59 3.774 22.498 -17.357 1.00 0.00 C ATOM 948 C PRO A 59 5.059 21.676 -17.554 1.00 0.00 C ATOM 949 O PRO A 59 4.990 20.500 -17.897 1.00 0.00 O ATOM 950 CB PRO A 59 3.180 22.895 -18.716 1.00 0.00 C ATOM 951 CG PRO A 59 3.588 24.312 -18.909 1.00 0.00 C ATOM 952 CD PRO A 59 3.619 24.919 -17.538 1.00 0.00 C ATOM 0 HA PRO A 59 3.132 21.848 -16.762 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.563 22.261 -19.516 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.095 22.792 -18.719 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.566 24.376 -19.387 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.883 24.837 -19.553 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.349 25.726 -17.473 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.652 25.341 -17.264 1.00 0.00 H new ATOM 960 N GLN A 60 6.217 22.290 -17.351 1.00 0.00 N ATOM 961 CA GLN A 60 7.475 21.578 -17.473 1.00 0.00 C ATOM 962 C GLN A 60 8.114 21.368 -16.106 1.00 0.00 C ATOM 963 O GLN A 60 9.245 20.889 -16.002 1.00 0.00 O ATOM 964 CB GLN A 60 8.436 22.317 -18.397 1.00 0.00 C ATOM 965 CG GLN A 60 7.895 22.507 -19.794 1.00 0.00 C ATOM 966 CD GLN A 60 8.910 23.111 -20.741 1.00 0.00 C ATOM 967 OE1 GLN A 60 9.785 23.868 -20.338 1.00 0.00 O ATOM 968 NE2 GLN A 60 8.797 22.792 -21.993 1.00 0.00 N ATOM 0 H GLN A 60 6.308 23.275 -17.102 1.00 0.00 H new ATOM 0 HA GLN A 60 7.262 20.602 -17.910 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.664 23.293 -17.967 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.374 21.765 -18.450 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.568 21.544 -20.186 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.016 23.150 -19.754 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.056 22.159 -22.293 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.449 23.175 -22.678 1.00 0.00 H new ATOM 977 N ASP A 61 7.391 21.719 -15.068 1.00 0.00 N ATOM 978 CA ASP A 61 7.877 21.561 -13.672 1.00 0.00 C ATOM 979 C ASP A 61 7.169 20.366 -13.054 1.00 0.00 C ATOM 980 O ASP A 61 7.454 19.919 -11.945 1.00 0.00 O ATOM 981 CB ASP A 61 7.589 22.822 -12.865 1.00 0.00 C ATOM 982 CG ASP A 61 8.422 22.934 -11.616 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.870 23.267 -10.564 1.00 0.00 O ATOM 984 OD2 ASP A 61 9.659 22.729 -11.689 1.00 0.00 O ATOM 0 H ASP A 61 6.456 22.120 -15.141 1.00 0.00 H new ATOM 0 HA ASP A 61 8.955 21.399 -13.668 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.768 23.695 -13.492 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.534 22.837 -12.592 1.00 0.00 H new ATOM 989 N ILE A 62 6.277 19.831 -13.853 1.00 0.00 N ATOM 990 CA ILE A 62 5.382 18.730 -13.537 1.00 0.00 C ATOM 991 C ILE A 62 6.028 17.404 -12.969 1.00 0.00 C ATOM 992 O ILE A 62 5.411 16.780 -12.079 1.00 0.00 O ATOM 993 CB ILE A 62 4.455 18.445 -14.757 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.562 19.666 -15.032 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.607 17.192 -14.583 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.724 20.101 -13.846 1.00 0.00 C ATOM 0 H ILE A 62 6.144 20.172 -14.805 1.00 0.00 H new ATOM 0 HA ILE A 62 4.808 19.083 -12.681 1.00 0.00 H new ATOM 0 HB ILE A 62 5.103 18.261 -15.614 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.191 20.500 -15.344 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.899 19.437 -15.867 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.984 17.049 -15.466 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.258 16.327 -14.454 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.971 17.302 -13.704 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.123 20.967 -14.123 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.067 19.285 -13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.378 20.364 -13.015 1.00 0.00 H new ATOM 1008 N PRO A 63 7.278 16.952 -13.368 1.00 0.00 N ATOM 1009 CA PRO A 63 7.795 15.671 -12.899 1.00 0.00 C ATOM 1010 C PRO A 63 8.314 15.759 -11.485 1.00 0.00 C ATOM 1011 O PRO A 63 8.724 14.771 -10.887 1.00 0.00 O ATOM 1012 CB PRO A 63 8.904 15.351 -13.867 1.00 0.00 C ATOM 1013 CG PRO A 63 9.412 16.657 -14.345 1.00 0.00 C ATOM 1014 CD PRO A 63 8.281 17.635 -14.227 1.00 0.00 C ATOM 0 HA PRO A 63 7.024 14.901 -12.870 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.694 14.778 -13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.537 14.747 -14.697 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.266 16.980 -13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.753 16.584 -15.378 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.613 18.572 -13.780 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.865 17.879 -15.204 1.00 0.00 H new ATOM 1022 N LYS A 64 8.309 16.953 -10.977 1.00 0.00 N ATOM 1023 CA LYS A 64 8.661 17.191 -9.608 1.00 0.00 C ATOM 1024 C LYS A 64 7.432 17.011 -8.741 1.00 0.00 C ATOM 1025 O LYS A 64 7.526 16.797 -7.531 1.00 0.00 O ATOM 1026 CB LYS A 64 9.178 18.604 -9.390 1.00 0.00 C ATOM 1027 CG LYS A 64 10.324 19.031 -10.268 1.00 0.00 C ATOM 1028 CD LYS A 64 10.967 20.285 -9.691 1.00 0.00 C ATOM 1029 CE LYS A 64 12.135 20.763 -10.520 1.00 0.00 C ATOM 1030 NZ LYS A 64 11.724 21.073 -11.886 1.00 0.00 N ATOM 0 H LYS A 64 8.060 17.793 -11.500 1.00 0.00 H new ATOM 0 HA LYS A 64 9.448 16.484 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.352 19.299 -9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.488 18.699 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.061 18.231 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.968 19.225 -11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.221 21.077 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.304 20.083 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.572 21.649 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.910 19.997 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.308 21.850 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.847 20.232 -12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.724 21.358 -11.891 1.00 0.00 H new ATOM 1044 N TYR A 65 6.284 17.104 -9.365 1.00 0.00 N ATOM 1045 CA TYR A 65 5.050 17.062 -8.669 1.00 0.00 C ATOM 1046 C TYR A 65 4.281 15.794 -8.914 1.00 0.00 C ATOM 1047 O TYR A 65 4.285 14.896 -8.086 1.00 0.00 O ATOM 1048 CB TYR A 65 4.211 18.287 -9.021 1.00 0.00 C ATOM 1049 CG TYR A 65 4.808 19.551 -8.497 1.00 0.00 C ATOM 1050 CD1 TYR A 65 5.514 20.434 -9.313 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.707 19.837 -7.160 1.00 0.00 C ATOM 1052 CE1 TYR A 65 6.097 21.561 -8.783 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.275 20.959 -6.626 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.972 21.817 -7.432 1.00 0.00 C ATOM 1055 OH TYR A 65 6.561 22.928 -6.882 1.00 0.00 O ATOM 0 H TYR A 65 6.193 17.211 -10.375 1.00 0.00 H new ATOM 0 HA TYR A 65 5.280 17.075 -7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.110 18.357 -10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.207 18.166 -8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.604 20.231 -10.370 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.167 19.160 -6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.648 22.240 -9.418 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.174 21.168 -5.571 1.00 0.00 H new ATOM 0 HH TYR A 65 6.602 23.642 -7.552 1.00 0.00 H new ATOM 1065 N PHE A 66 3.691 15.684 -10.070 1.00 0.00 N ATOM 1066 CA PHE A 66 2.763 14.597 -10.358 1.00 0.00 C ATOM 1067 C PHE A 66 3.466 13.293 -10.656 1.00 0.00 C ATOM 1068 O PHE A 66 2.864 12.216 -10.592 1.00 0.00 O ATOM 1069 CB PHE A 66 1.811 14.998 -11.487 1.00 0.00 C ATOM 1070 CG PHE A 66 0.955 16.175 -11.116 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.375 17.471 -11.368 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.256 15.982 -10.490 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.600 18.546 -10.997 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -1.038 17.052 -10.121 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.608 18.334 -10.374 1.00 0.00 C ATOM 0 H PHE A 66 3.830 16.334 -10.843 1.00 0.00 H new ATOM 0 HA PHE A 66 2.177 14.420 -9.456 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.389 15.238 -12.379 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.172 14.152 -11.739 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.321 17.639 -11.861 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.596 14.978 -10.286 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.939 19.552 -11.194 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.987 16.886 -9.634 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.220 19.175 -10.083 1.00 0.00 H new