USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 415 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 167:sc= 1.04 USER MOD Single : A 15 GLN : amide:sc= 0.102 X(o=0.1,f=-0.009) USER MOD Single : A 17 TYR OH : rot -159:sc= 0.385 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.4) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 153:sc= -0.138 (180deg=-0.612) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0249 (180deg=-0.206) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -39:sc= 0.107 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00231 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00916) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N GLU A 9 4.141 7.807 2.898 1.00 0.00 N ATOM 82 CA GLU A 9 5.202 6.991 2.320 1.00 0.00 C ATOM 83 C GLU A 9 4.674 6.158 1.156 1.00 0.00 C ATOM 84 O GLU A 9 3.669 5.458 1.283 1.00 0.00 O ATOM 85 CB GLU A 9 5.809 6.074 3.384 1.00 0.00 C ATOM 86 CG GLU A 9 6.875 6.747 4.231 1.00 0.00 C ATOM 87 CD GLU A 9 8.189 6.913 3.493 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.156 7.169 2.272 1.00 0.00 O ATOM 89 OE2 GLU A 9 9.251 6.786 4.138 1.00 0.00 O ATOM 0 HA GLU A 9 5.976 7.660 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.014 5.712 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.243 5.202 2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.516 7.725 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.041 6.159 5.133 1.00 0.00 H new ATOM 96 N LYS A 10 5.359 6.239 0.020 1.00 0.00 N ATOM 97 CA LYS A 10 4.961 5.492 -1.168 1.00 0.00 C ATOM 98 C LYS A 10 5.626 4.120 -1.197 1.00 0.00 C ATOM 99 O LYS A 10 6.839 4.011 -1.376 1.00 0.00 O ATOM 100 CB LYS A 10 5.327 6.274 -2.432 1.00 0.00 C ATOM 101 CG LYS A 10 4.263 7.271 -2.860 1.00 0.00 C ATOM 102 CD LYS A 10 4.364 7.592 -4.342 1.00 0.00 C ATOM 103 CE LYS A 10 3.701 8.921 -4.670 1.00 0.00 C ATOM 104 NZ LYS A 10 4.170 9.467 -5.975 1.00 0.00 N ATOM 0 H LYS A 10 6.192 6.814 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 10 3.881 5.352 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.263 6.805 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.503 5.571 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.275 6.867 -2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.368 8.188 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.413 7.624 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.894 6.797 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.619 8.790 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.914 9.639 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.695 10.373 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.199 9.616 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.944 8.794 -6.735 1.00 0.00 H new ATOM 118 N TYR A 11 4.824 3.076 -1.020 1.00 0.00 N ATOM 119 CA TYR A 11 5.334 1.710 -1.024 1.00 0.00 C ATOM 120 C TYR A 11 5.047 1.025 -2.356 1.00 0.00 C ATOM 121 O TYR A 11 4.486 1.630 -3.271 1.00 0.00 O ATOM 122 CB TYR A 11 4.714 0.908 0.120 1.00 0.00 C ATOM 123 CG TYR A 11 5.505 0.974 1.407 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.828 2.197 1.984 1.00 0.00 C ATOM 125 CD2 TYR A 11 5.931 -0.184 2.045 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.551 2.262 3.160 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.654 -0.127 3.220 1.00 0.00 C ATOM 128 CZ TYR A 11 6.961 1.098 3.774 1.00 0.00 C ATOM 129 OH TYR A 11 7.682 1.159 4.944 1.00 0.00 O ATOM 0 H TYR A 11 3.818 3.150 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 11 6.414 1.752 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.705 1.276 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.622 -0.134 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.509 3.111 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.693 -1.145 1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.794 3.220 3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.977 -1.037 3.703 1.00 0.00 H new ATOM 0 HH TYR A 11 7.892 0.251 5.247 1.00 0.00 H new ATOM 139 N VAL A 12 5.435 -0.243 -2.458 1.00 0.00 N ATOM 140 CA VAL A 12 5.218 -1.012 -3.678 1.00 0.00 C ATOM 141 C VAL A 12 4.789 -2.440 -3.356 1.00 0.00 C ATOM 142 O VAL A 12 5.250 -3.034 -2.382 1.00 0.00 O ATOM 143 CB VAL A 12 6.486 -1.053 -4.549 1.00 0.00 C ATOM 144 CG1 VAL A 12 7.628 -1.724 -3.800 1.00 0.00 C ATOM 145 CG2 VAL A 12 6.207 -1.767 -5.863 1.00 0.00 C ATOM 0 H VAL A 12 5.901 -0.759 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 12 4.423 -0.512 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 12 6.784 -0.029 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.516 -1.744 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.843 -1.166 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.344 -2.744 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.115 -1.787 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.884 -2.788 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.423 -1.239 -6.405 1.00 0.00 H new ATOM 155 N THR A 13 3.903 -2.986 -4.184 1.00 0.00 N ATOM 156 CA THR A 13 3.411 -4.343 -3.988 1.00 0.00 C ATOM 157 C THR A 13 4.267 -5.353 -4.745 1.00 0.00 C ATOM 158 O THR A 13 4.567 -5.167 -5.924 1.00 0.00 O ATOM 159 CB THR A 13 1.947 -4.482 -4.448 1.00 0.00 C ATOM 160 OG1 THR A 13 1.864 -4.340 -5.870 1.00 0.00 O ATOM 161 CG2 THR A 13 1.069 -3.437 -3.777 1.00 0.00 C ATOM 0 H THR A 13 3.512 -2.509 -4.996 1.00 0.00 H new ATOM 0 HA THR A 13 3.470 -4.549 -2.919 1.00 0.00 H new ATOM 0 HB THR A 13 1.591 -5.472 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.978 -4.626 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.040 -3.554 -4.117 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.111 -3.566 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.426 -2.441 -4.037 1.00 0.00 H new ATOM 169 N VAL A 14 4.655 -6.424 -4.061 1.00 0.00 N ATOM 170 CA VAL A 14 5.476 -7.463 -4.670 1.00 0.00 C ATOM 171 C VAL A 14 4.632 -8.672 -5.059 1.00 0.00 C ATOM 172 O VAL A 14 5.102 -9.573 -5.753 1.00 0.00 O ATOM 173 CB VAL A 14 6.599 -7.921 -3.720 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.620 -6.811 -3.526 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.020 -8.363 -2.385 1.00 0.00 C ATOM 0 H VAL A 14 4.414 -6.595 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 14 5.922 -7.030 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 14 7.107 -8.774 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.405 -7.153 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.057 -6.547 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.130 -5.937 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.827 -8.683 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.486 -7.531 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.331 -9.192 -2.544 1.00 0.00 H new ATOM 185 N GLN A 15 3.382 -8.684 -4.607 1.00 0.00 N ATOM 186 CA GLN A 15 2.471 -9.782 -4.909 1.00 0.00 C ATOM 187 C GLN A 15 1.031 -9.288 -4.989 1.00 0.00 C ATOM 188 O GLN A 15 0.613 -8.393 -4.254 1.00 0.00 O ATOM 189 CB GLN A 15 2.589 -10.876 -3.846 1.00 0.00 C ATOM 190 CG GLN A 15 3.884 -11.668 -3.928 1.00 0.00 C ATOM 191 CD GLN A 15 3.865 -12.706 -5.033 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.058 -13.635 -5.012 1.00 0.00 O ATOM 193 NE2 GLN A 15 4.755 -12.552 -6.006 1.00 0.00 N ATOM 0 H GLN A 15 2.977 -7.946 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 15 2.748 -10.195 -5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.513 -10.421 -2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.747 -11.561 -3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.715 -10.982 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.064 -12.162 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.405 -11.767 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.788 -13.219 -6.777 1.00 0.00 H new ATOM 202 N PRO A 16 0.251 -9.883 -5.904 1.00 0.00 N ATOM 203 CA PRO A 16 -1.156 -9.520 -6.102 1.00 0.00 C ATOM 204 C PRO A 16 -2.035 -9.947 -4.931 1.00 0.00 C ATOM 205 O PRO A 16 -1.837 -11.014 -4.349 1.00 0.00 O ATOM 206 CB PRO A 16 -1.545 -10.285 -7.369 1.00 0.00 C ATOM 207 CG PRO A 16 -0.609 -11.444 -7.414 1.00 0.00 C ATOM 208 CD PRO A 16 0.682 -10.958 -6.814 1.00 0.00 C ATOM 0 HA PRO A 16 -1.291 -8.441 -6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.583 -10.616 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.444 -9.660 -8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.007 -12.289 -6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.459 -11.785 -8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.201 -11.753 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.366 -10.588 -7.578 1.00 0.00 H new ATOM 216 N TYR A 17 -3.007 -9.108 -4.591 1.00 0.00 N ATOM 217 CA TYR A 17 -3.916 -9.398 -3.489 1.00 0.00 C ATOM 218 C TYR A 17 -5.359 -9.474 -3.978 1.00 0.00 C ATOM 219 O TYR A 17 -5.732 -8.827 -4.958 1.00 0.00 O ATOM 220 CB TYR A 17 -3.791 -8.328 -2.403 1.00 0.00 C ATOM 221 CG TYR A 17 -4.448 -8.712 -1.096 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.926 -9.726 -0.304 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.592 -8.058 -0.653 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.524 -10.081 0.890 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.195 -8.405 0.540 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.658 -9.417 1.307 1.00 0.00 C ATOM 227 OH TYR A 17 -6.256 -9.766 2.497 1.00 0.00 O ATOM 0 H TYR A 17 -3.186 -8.222 -5.063 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.641 -10.366 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.735 -8.126 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.236 -7.401 -2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.037 -10.247 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.016 -7.265 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.106 -10.874 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.083 -7.886 0.870 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.187 -9.460 2.497 1.00 0.00 H new ATOM 237 N THR A 18 -6.170 -10.270 -3.287 1.00 0.00 N ATOM 238 CA THR A 18 -7.573 -10.432 -3.649 1.00 0.00 C ATOM 239 C THR A 18 -8.488 -10.018 -2.504 1.00 0.00 C ATOM 240 O THR A 18 -8.764 -10.806 -1.600 1.00 0.00 O ATOM 241 CB THR A 18 -7.886 -11.890 -4.041 1.00 0.00 C ATOM 242 OG1 THR A 18 -6.999 -12.320 -5.079 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.328 -12.026 -4.508 1.00 0.00 C ATOM 0 H THR A 18 -5.879 -10.812 -2.474 1.00 0.00 H new ATOM 0 HA THR A 18 -7.755 -9.785 -4.507 1.00 0.00 H new ATOM 0 HB THR A 18 -7.745 -12.518 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.204 -13.247 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.526 -13.063 -4.779 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.001 -11.726 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.491 -11.386 -5.375 1.00 0.00 H new ATOM 251 N SER A 19 -8.958 -8.775 -2.548 1.00 0.00 N ATOM 252 CA SER A 19 -9.842 -8.254 -1.512 1.00 0.00 C ATOM 253 C SER A 19 -11.197 -8.952 -1.552 1.00 0.00 C ATOM 254 O SER A 19 -11.745 -9.204 -2.625 1.00 0.00 O ATOM 255 CB SER A 19 -10.026 -6.745 -1.680 1.00 0.00 C ATOM 256 OG SER A 19 -10.530 -6.434 -2.968 1.00 0.00 O ATOM 0 H SER A 19 -8.741 -8.110 -3.290 1.00 0.00 H new ATOM 0 HA SER A 19 -9.381 -8.450 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.710 -6.372 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.072 -6.240 -1.527 1.00 0.00 H new ATOM 0 HG SER A 19 -10.641 -5.464 -3.050 1.00 0.00 H new ATOM 262 N GLN A 20 -11.731 -9.262 -0.375 1.00 0.00 N ATOM 263 CA GLN A 20 -13.023 -9.932 -0.276 1.00 0.00 C ATOM 264 C GLN A 20 -14.132 -8.932 0.033 1.00 0.00 C ATOM 265 O GLN A 20 -15.230 -9.018 -0.518 1.00 0.00 O ATOM 266 CB GLN A 20 -12.979 -11.013 0.806 1.00 0.00 C ATOM 267 CG GLN A 20 -11.911 -12.068 0.568 1.00 0.00 C ATOM 268 CD GLN A 20 -12.187 -12.911 -0.661 1.00 0.00 C ATOM 269 OE1 GLN A 20 -13.327 -13.300 -0.918 1.00 0.00 O ATOM 270 NE2 GLN A 20 -11.142 -13.199 -1.429 1.00 0.00 N ATOM 0 H GLN A 20 -11.290 -9.060 0.522 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.237 -10.399 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.803 -10.541 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.953 -11.500 0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.942 -11.581 0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.845 -12.717 1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.215 -12.856 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.267 -13.763 -2.269 1.00 0.00 H new ATOM 279 N SER A 21 -13.839 -7.985 0.918 1.00 0.00 N ATOM 280 CA SER A 21 -14.813 -6.970 1.304 1.00 0.00 C ATOM 281 C SER A 21 -14.212 -5.572 1.198 1.00 0.00 C ATOM 282 O SER A 21 -13.007 -5.413 1.001 1.00 0.00 O ATOM 283 CB SER A 21 -15.304 -7.220 2.730 1.00 0.00 C ATOM 284 OG SER A 21 -16.022 -8.439 2.817 1.00 0.00 O ATOM 0 H SER A 21 -12.935 -7.899 1.382 1.00 0.00 H new ATOM 0 HA SER A 21 -15.659 -7.035 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.454 -7.246 3.411 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.942 -6.395 3.048 1.00 0.00 H new ATOM 0 HG SER A 21 -16.323 -8.576 3.739 1.00 0.00 H new ATOM 290 N LYS A 22 -15.062 -4.559 1.330 1.00 0.00 N ATOM 291 CA LYS A 22 -14.617 -3.172 1.251 1.00 0.00 C ATOM 292 C LYS A 22 -13.486 -2.907 2.239 1.00 0.00 C ATOM 293 O LYS A 22 -12.503 -2.241 1.907 1.00 0.00 O ATOM 294 CB LYS A 22 -15.785 -2.224 1.530 1.00 0.00 C ATOM 295 CG LYS A 22 -16.338 -2.338 2.941 1.00 0.00 C ATOM 296 CD LYS A 22 -17.724 -1.725 3.047 1.00 0.00 C ATOM 297 CE LYS A 22 -18.809 -2.744 2.733 1.00 0.00 C ATOM 298 NZ LYS A 22 -18.828 -3.856 3.722 1.00 0.00 N ATOM 0 H LYS A 22 -16.063 -4.672 1.492 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.244 -2.993 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.458 -1.198 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.585 -2.427 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.380 -3.387 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.664 -1.840 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.873 -1.331 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.804 -0.883 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.780 -2.249 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.649 -3.149 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.787 -4.255 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.161 -4.596 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.550 -3.494 4.656 1.00 0.00 H new ATOM 312 N ASP A 23 -13.630 -3.430 3.451 1.00 0.00 N ATOM 313 CA ASP A 23 -12.618 -3.251 4.486 1.00 0.00 C ATOM 314 C ASP A 23 -11.216 -3.440 3.915 1.00 0.00 C ATOM 315 O ASP A 23 -10.312 -2.653 4.192 1.00 0.00 O ATOM 316 CB ASP A 23 -12.851 -4.236 5.632 1.00 0.00 C ATOM 317 CG ASP A 23 -14.306 -4.297 6.057 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.787 -3.318 6.664 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.962 -5.324 5.782 1.00 0.00 O ATOM 0 H ASP A 23 -14.437 -3.981 3.741 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.701 -2.233 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.523 -5.229 5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.238 -3.947 6.486 1.00 0.00 H new ATOM 324 N GLU A 24 -11.045 -4.489 3.117 1.00 0.00 N ATOM 325 CA GLU A 24 -9.752 -4.782 2.508 1.00 0.00 C ATOM 326 C GLU A 24 -9.702 -4.277 1.069 1.00 0.00 C ATOM 327 O GLU A 24 -10.738 -4.083 0.431 1.00 0.00 O ATOM 328 CB GLU A 24 -9.476 -6.286 2.543 1.00 0.00 C ATOM 329 CG GLU A 24 -9.327 -6.845 3.948 1.00 0.00 C ATOM 330 CD GLU A 24 -9.595 -8.337 4.014 1.00 0.00 C ATOM 331 OE1 GLU A 24 -9.112 -9.066 3.123 1.00 0.00 O ATOM 332 OE2 GLU A 24 -10.288 -8.773 4.957 1.00 0.00 O ATOM 0 H GLU A 24 -11.784 -5.150 2.877 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.983 -4.266 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.289 -6.808 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.566 -6.493 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.319 -6.644 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.014 -6.326 4.616 1.00 0.00 H new ATOM 339 N ILE A 25 -8.490 -4.067 0.564 1.00 0.00 N ATOM 340 CA ILE A 25 -8.305 -3.586 -0.800 1.00 0.00 C ATOM 341 C ILE A 25 -7.447 -4.552 -1.611 1.00 0.00 C ATOM 342 O ILE A 25 -6.448 -5.073 -1.119 1.00 0.00 O ATOM 343 CB ILE A 25 -7.650 -2.193 -0.821 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.751 -1.579 -2.219 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.197 -2.283 -0.380 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.629 -0.071 -2.227 1.00 0.00 C ATOM 0 H ILE A 25 -7.623 -4.222 1.078 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.296 -3.519 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.182 -1.548 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.969 -2.002 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.706 -1.861 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.748 -1.290 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.148 -2.682 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.652 -2.941 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.710 0.295 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.426 0.362 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.663 0.218 -1.813 1.00 0.00 H new ATOM 358 N GLY A 26 -7.844 -4.781 -2.859 1.00 0.00 N ATOM 359 CA GLY A 26 -7.099 -5.682 -3.720 1.00 0.00 C ATOM 360 C GLY A 26 -6.308 -4.946 -4.783 1.00 0.00 C ATOM 361 O GLY A 26 -6.865 -4.157 -5.546 1.00 0.00 O ATOM 0 H GLY A 26 -8.667 -4.359 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.418 -6.279 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.790 -6.375 -4.200 1.00 0.00 H new ATOM 365 N PHE A 27 -5.005 -5.203 -4.833 1.00 0.00 N ATOM 366 CA PHE A 27 -4.136 -4.557 -5.808 1.00 0.00 C ATOM 367 C PHE A 27 -3.347 -5.593 -6.604 1.00 0.00 C ATOM 368 O PHE A 27 -3.371 -6.782 -6.289 1.00 0.00 O ATOM 369 CB PHE A 27 -3.174 -3.595 -5.108 1.00 0.00 C ATOM 370 CG PHE A 27 -2.506 -4.189 -3.901 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.682 -5.297 -4.024 1.00 0.00 C ATOM 372 CD2 PHE A 27 -2.700 -3.639 -2.645 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.066 -5.845 -2.914 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.087 -4.183 -1.532 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.269 -5.288 -1.667 1.00 0.00 C ATOM 0 H PHE A 27 -4.528 -5.854 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.763 -3.994 -6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.410 -3.278 -5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.721 -2.701 -4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.520 -5.737 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.338 -2.775 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.426 -6.708 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.247 -3.745 -0.558 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.789 -5.715 -0.799 1.00 0.00 H new ATOM 385 N GLU A 28 -2.649 -5.132 -7.637 1.00 0.00 N ATOM 386 CA GLU A 28 -1.853 -6.018 -8.478 1.00 0.00 C ATOM 387 C GLU A 28 -0.372 -5.923 -8.122 1.00 0.00 C ATOM 388 O GLU A 28 0.032 -5.085 -7.317 1.00 0.00 O ATOM 389 CB GLU A 28 -2.056 -5.674 -9.955 1.00 0.00 C ATOM 390 CG GLU A 28 -3.513 -5.692 -10.389 1.00 0.00 C ATOM 391 CD GLU A 28 -3.677 -5.980 -11.869 1.00 0.00 C ATOM 392 OE1 GLU A 28 -2.878 -6.774 -12.409 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.603 -5.414 -12.485 1.00 0.00 O ATOM 0 H GLU A 28 -2.619 -4.150 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.186 -7.040 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.640 -4.686 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.495 -6.382 -10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.050 -6.446 -9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.969 -4.730 -10.157 1.00 0.00 H new ATOM 400 N LYS A 29 0.432 -6.791 -8.727 1.00 0.00 N ATOM 401 CA LYS A 29 1.868 -6.806 -8.476 1.00 0.00 C ATOM 402 C LYS A 29 2.602 -5.897 -9.456 1.00 0.00 C ATOM 403 O LYS A 29 2.451 -6.027 -10.670 1.00 0.00 O ATOM 404 CB LYS A 29 2.410 -8.233 -8.585 1.00 0.00 C ATOM 405 CG LYS A 29 3.890 -8.299 -8.923 1.00 0.00 C ATOM 406 CD LYS A 29 4.350 -9.729 -9.140 1.00 0.00 C ATOM 407 CE LYS A 29 5.803 -9.787 -9.585 1.00 0.00 C ATOM 408 NZ LYS A 29 5.995 -9.183 -10.932 1.00 0.00 N ATOM 0 H LYS A 29 0.113 -7.493 -9.395 1.00 0.00 H new ATOM 0 HA LYS A 29 2.038 -6.434 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.238 -8.751 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.847 -8.769 -9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.085 -7.713 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.469 -7.848 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.229 -10.295 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.719 -10.205 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.426 -9.263 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.137 -10.825 -9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.931 -9.448 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.257 -9.531 -11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.931 -8.147 -10.860 1.00 0.00 H new ATOM 422 N GLY A 30 3.399 -4.976 -8.920 1.00 0.00 N ATOM 423 CA GLY A 30 4.145 -4.061 -9.763 1.00 0.00 C ATOM 424 C GLY A 30 3.507 -2.687 -9.833 1.00 0.00 C ATOM 425 O GLY A 30 3.621 -1.992 -10.843 1.00 0.00 O ATOM 0 H GLY A 30 3.541 -4.848 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.162 -3.967 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.219 -4.476 -10.768 1.00 0.00 H new ATOM 429 N VAL A 31 2.829 -2.296 -8.759 1.00 0.00 N ATOM 430 CA VAL A 31 2.169 -0.996 -8.703 1.00 0.00 C ATOM 431 C VAL A 31 2.617 -0.205 -7.479 1.00 0.00 C ATOM 432 O VAL A 31 3.257 -0.745 -6.576 1.00 0.00 O ATOM 433 CB VAL A 31 0.636 -1.146 -8.672 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.122 -1.649 -10.012 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.216 -2.079 -7.546 1.00 0.00 C ATOM 0 H VAL A 31 2.722 -2.860 -7.916 1.00 0.00 H new ATOM 0 HA VAL A 31 2.455 -0.456 -9.605 1.00 0.00 H new ATOM 0 HB VAL A 31 0.195 -0.167 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.963 -1.749 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.392 -0.940 -10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.568 -2.619 -10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.870 -2.174 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.665 -3.060 -7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.552 -1.672 -6.592 1.00 0.00 H new ATOM 445 N THR A 32 2.274 1.080 -7.454 1.00 0.00 N ATOM 446 CA THR A 32 2.640 1.946 -6.341 1.00 0.00 C ATOM 447 C THR A 32 1.475 2.119 -5.372 1.00 0.00 C ATOM 448 O THR A 32 0.318 2.197 -5.785 1.00 0.00 O ATOM 449 CB THR A 32 3.092 3.334 -6.835 1.00 0.00 C ATOM 450 OG1 THR A 32 4.269 3.207 -7.641 1.00 0.00 O ATOM 451 CG2 THR A 32 3.371 4.261 -5.662 1.00 0.00 C ATOM 0 H THR A 32 1.743 1.543 -8.192 1.00 0.00 H new ATOM 0 HA THR A 32 3.470 1.463 -5.825 1.00 0.00 H new ATOM 0 HB THR A 32 2.288 3.763 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.549 4.093 -7.953 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.689 5.235 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.465 4.378 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.160 3.835 -5.042 1.00 0.00 H new ATOM 459 N VAL A 33 1.790 2.179 -4.082 1.00 0.00 N ATOM 460 CA VAL A 33 0.769 2.345 -3.053 1.00 0.00 C ATOM 461 C VAL A 33 1.203 3.364 -2.007 1.00 0.00 C ATOM 462 O VAL A 33 2.394 3.626 -1.839 1.00 0.00 O ATOM 463 CB VAL A 33 0.455 1.009 -2.354 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.140 0.016 -3.341 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.708 0.441 -1.705 1.00 0.00 C ATOM 0 H VAL A 33 2.743 2.115 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.130 2.705 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.282 1.193 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.355 -0.922 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.062 0.423 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.571 -0.166 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.468 -0.503 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.468 0.272 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.087 1.147 -0.966 1.00 0.00 H new ATOM 475 N GLU A 34 0.229 3.936 -1.306 1.00 0.00 N ATOM 476 CA GLU A 34 0.513 4.928 -0.275 1.00 0.00 C ATOM 477 C GLU A 34 0.088 4.421 1.100 1.00 0.00 C ATOM 478 O GLU A 34 -1.096 4.204 1.355 1.00 0.00 O ATOM 479 CB GLU A 34 -0.205 6.243 -0.590 1.00 0.00 C ATOM 480 CG GLU A 34 0.349 6.962 -1.808 1.00 0.00 C ATOM 481 CD GLU A 34 0.195 8.468 -1.716 1.00 0.00 C ATOM 482 OE1 GLU A 34 -0.956 8.950 -1.752 1.00 0.00 O ATOM 483 OE2 GLU A 34 1.226 9.164 -1.607 1.00 0.00 O ATOM 0 H GLU A 34 -0.762 3.730 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 34 1.589 5.103 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.264 6.040 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.133 6.903 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.404 6.715 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.162 6.602 -2.701 1.00 0.00 H new ATOM 490 N VAL A 35 1.065 4.232 1.982 1.00 0.00 N ATOM 491 CA VAL A 35 0.793 3.749 3.330 1.00 0.00 C ATOM 492 C VAL A 35 0.267 4.871 4.220 1.00 0.00 C ATOM 493 O VAL A 35 1.030 5.722 4.679 1.00 0.00 O ATOM 494 CB VAL A 35 2.055 3.147 3.976 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.747 2.632 5.373 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.622 2.038 3.102 1.00 0.00 C ATOM 0 H VAL A 35 2.051 4.406 1.787 1.00 0.00 H new ATOM 0 HA VAL A 35 0.033 2.972 3.240 1.00 0.00 H new ATOM 0 HB VAL A 35 2.807 3.931 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.651 2.211 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.391 3.454 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.978 1.861 5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.513 1.623 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.876 1.252 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.883 2.443 2.124 1.00 0.00 H new ATOM 506 N ILE A 36 -1.039 4.866 4.459 1.00 0.00 N ATOM 507 CA ILE A 36 -1.667 5.882 5.294 1.00 0.00 C ATOM 508 C ILE A 36 -1.376 5.636 6.770 1.00 0.00 C ATOM 509 O ILE A 36 -0.717 6.443 7.426 1.00 0.00 O ATOM 510 CB ILE A 36 -3.192 5.922 5.082 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.519 6.213 3.617 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.825 6.966 5.989 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.903 5.765 3.205 1.00 0.00 C ATOM 0 H ILE A 36 -1.684 4.169 4.086 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.243 6.841 4.997 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.605 4.947 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.425 7.284 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.783 5.718 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.903 6.983 5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.618 6.718 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.409 7.947 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.065 6.004 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.996 4.689 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.648 6.279 3.813 1.00 0.00 H new ATOM 525 N ARG A 37 -1.871 4.516 7.287 1.00 0.00 N ATOM 526 CA ARG A 37 -1.663 4.163 8.687 1.00 0.00 C ATOM 527 C ARG A 37 -1.217 2.710 8.821 1.00 0.00 C ATOM 528 O ARG A 37 -1.982 1.786 8.545 1.00 0.00 O ATOM 529 CB ARG A 37 -2.947 4.390 9.487 1.00 0.00 C ATOM 530 CG ARG A 37 -3.239 5.854 9.769 1.00 0.00 C ATOM 531 CD ARG A 37 -4.066 6.024 11.034 1.00 0.00 C ATOM 532 NE ARG A 37 -4.696 7.339 11.104 1.00 0.00 N ATOM 533 CZ ARG A 37 -5.457 7.738 12.117 1.00 0.00 C ATOM 534 NH1 ARG A 37 -5.682 6.925 13.141 1.00 0.00 N ATOM 535 NH2 ARG A 37 -5.996 8.950 12.107 1.00 0.00 N ATOM 0 H ARG A 37 -2.419 3.838 6.758 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.876 4.804 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.786 3.960 8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.875 3.854 10.433 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.301 6.400 9.870 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.772 6.289 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.834 5.252 11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.428 5.881 11.906 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.543 7.988 10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.270 5.992 13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.267 7.233 13.918 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.826 9.577 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.580 9.255 12.886 1.00 0.00 H new ATOM 626 N TRP A 43 -1.306 -5.185 10.128 1.00 0.00 N ATOM 627 CA TRP A 43 -2.261 -4.521 9.247 1.00 0.00 C ATOM 628 C TRP A 43 -1.761 -3.139 8.844 1.00 0.00 C ATOM 629 O TRP A 43 -1.594 -2.259 9.689 1.00 0.00 O ATOM 630 CB TRP A 43 -3.623 -4.405 9.934 1.00 0.00 C ATOM 631 CG TRP A 43 -4.519 -5.580 9.680 1.00 0.00 C ATOM 632 CD1 TRP A 43 -5.055 -6.419 10.614 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.982 -6.045 8.407 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.823 -7.379 9.999 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.795 -7.170 8.645 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.790 -5.620 7.090 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.412 -7.873 7.615 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.403 -6.318 6.068 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.207 -7.434 6.335 1.00 0.00 C ATOM 0 HA TRP A 43 -2.367 -5.124 8.345 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.472 -4.298 11.008 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.119 -3.498 9.590 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.899 -6.340 11.680 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.331 -8.125 10.473 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.173 -4.760 6.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.031 -8.735 7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.260 -5.998 5.046 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.674 -7.958 5.514 1.00 0.00 H new ATOM 650 N TRP A 44 -1.525 -2.954 7.550 1.00 0.00 N ATOM 651 CA TRP A 44 -1.045 -1.677 7.036 1.00 0.00 C ATOM 652 C TRP A 44 -2.062 -1.055 6.086 1.00 0.00 C ATOM 653 O TRP A 44 -2.308 -1.575 4.997 1.00 0.00 O ATOM 654 CB TRP A 44 0.294 -1.864 6.319 1.00 0.00 C ATOM 655 CG TRP A 44 1.459 -1.974 7.255 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.446 -2.481 8.523 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.806 -1.567 6.997 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.705 -2.414 9.069 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.558 -1.858 8.153 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.453 -0.986 5.903 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.921 -1.585 8.242 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.805 -0.717 5.993 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.528 -1.017 7.156 1.00 0.00 C ATOM 0 H TRP A 44 -1.658 -3.672 6.838 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.906 -1.002 7.881 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.246 -2.762 5.703 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.457 -1.023 5.644 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.574 -2.876 9.023 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.963 -2.728 10.005 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.905 -0.751 5.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.479 -1.814 9.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.314 -0.268 5.153 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.584 -0.795 7.195 1.00 0.00 H new ATOM 674 N TYR A 45 -2.650 0.060 6.504 1.00 0.00 N ATOM 675 CA TYR A 45 -3.643 0.751 5.690 1.00 0.00 C ATOM 676 C TYR A 45 -2.978 1.511 4.546 1.00 0.00 C ATOM 677 O TYR A 45 -2.111 2.356 4.771 1.00 0.00 O ATOM 678 CB TYR A 45 -4.457 1.717 6.553 1.00 0.00 C ATOM 679 CG TYR A 45 -5.872 1.923 6.061 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.761 0.859 5.977 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.320 3.183 5.682 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.054 1.042 5.527 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.612 3.376 5.233 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.475 2.303 5.157 1.00 0.00 C ATOM 685 OH TYR A 45 -9.763 2.490 4.710 1.00 0.00 O ATOM 0 H TYR A 45 -2.456 0.505 7.401 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.311 0.002 5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.488 1.340 7.575 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.948 2.680 6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.436 -0.129 6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.647 4.025 5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.731 0.203 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.944 4.362 4.943 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.027 1.733 4.146 1.00 0.00 H new ATOM 695 N ILE A 46 -3.390 1.202 3.321 1.00 0.00 N ATOM 696 CA ILE A 46 -2.835 1.857 2.143 1.00 0.00 C ATOM 697 C ILE A 46 -3.941 2.313 1.197 1.00 0.00 C ATOM 698 O ILE A 46 -5.102 1.936 1.354 1.00 0.00 O ATOM 699 CB ILE A 46 -1.876 0.924 1.380 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.614 -0.332 0.913 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.691 0.552 2.259 1.00 0.00 C ATOM 702 CD1 ILE A 46 -1.988 -0.986 -0.299 1.00 0.00 C ATOM 0 H ILE A 46 -4.105 0.503 3.119 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.280 2.726 2.496 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.503 1.450 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.642 -1.052 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.647 -0.072 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.021 -0.108 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.154 1.456 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.048 0.041 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.564 -1.870 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.985 -0.282 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.964 -1.278 -0.067 1.00 0.00 H new ATOM 714 N ARG A 47 -3.571 3.127 0.213 1.00 0.00 N ATOM 715 CA ARG A 47 -4.532 3.635 -0.760 1.00 0.00 C ATOM 716 C ARG A 47 -4.103 3.283 -2.181 1.00 0.00 C ATOM 717 O ARG A 47 -3.063 3.739 -2.658 1.00 0.00 O ATOM 718 CB ARG A 47 -4.677 5.151 -0.620 1.00 0.00 C ATOM 719 CG ARG A 47 -5.494 5.789 -1.731 1.00 0.00 C ATOM 720 CD ARG A 47 -5.762 7.260 -1.452 1.00 0.00 C ATOM 721 NE ARG A 47 -6.129 7.989 -2.663 1.00 0.00 N ATOM 722 CZ ARG A 47 -6.708 9.185 -2.653 1.00 0.00 C ATOM 723 NH1 ARG A 47 -6.983 9.783 -1.503 1.00 0.00 N ATOM 724 NH2 ARG A 47 -7.012 9.785 -3.797 1.00 0.00 N ATOM 0 H ARG A 47 -2.614 3.449 0.068 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.495 3.165 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.145 5.376 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.685 5.603 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.964 5.688 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.441 5.260 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.563 7.350 -0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.874 7.713 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.930 7.557 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.750 9.325 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.427 10.701 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.801 9.328 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.456 10.703 -3.789 1.00 0.00 H new ATOM 738 N TYR A 48 -4.911 2.469 -2.852 1.00 0.00 N ATOM 739 CA TYR A 48 -4.614 2.054 -4.218 1.00 0.00 C ATOM 740 C TYR A 48 -5.827 2.249 -5.122 1.00 0.00 C ATOM 741 O TYR A 48 -6.930 1.802 -4.808 1.00 0.00 O ATOM 742 CB TYR A 48 -4.176 0.588 -4.244 1.00 0.00 C ATOM 743 CG TYR A 48 -4.300 -0.058 -5.606 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.412 0.253 -6.628 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.306 -0.978 -5.869 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.522 -0.333 -7.874 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.424 -1.571 -7.112 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.529 -1.246 -8.110 1.00 0.00 C ATOM 749 OH TYR A 48 -4.643 -1.833 -9.350 1.00 0.00 O ATOM 0 H TYR A 48 -5.776 2.084 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.801 2.677 -4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.140 0.521 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.776 0.026 -3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.621 0.966 -6.445 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.008 -1.235 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.824 -0.078 -8.658 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.212 -2.285 -7.301 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.403 -2.452 -9.350 1.00 0.00 H new ATOM 759 N LEU A 49 -5.614 2.921 -6.248 1.00 0.00 N ATOM 760 CA LEU A 49 -6.689 3.176 -7.202 1.00 0.00 C ATOM 761 C LEU A 49 -7.780 4.037 -6.574 1.00 0.00 C ATOM 762 O LEU A 49 -8.969 3.799 -6.781 1.00 0.00 O ATOM 763 CB LEU A 49 -7.285 1.857 -7.695 1.00 0.00 C ATOM 764 CG LEU A 49 -6.626 1.243 -8.931 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.206 -0.132 -9.219 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.796 2.159 -10.136 1.00 0.00 C ATOM 0 H LEU A 49 -4.708 3.299 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.268 3.716 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.234 1.132 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.341 2.017 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.560 1.130 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.724 -0.552 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.032 -0.786 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.278 -0.045 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.321 1.707 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.858 2.304 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.331 3.123 -9.929 1.00 0.00 H new ATOM 778 N GLY A 50 -7.368 5.040 -5.805 1.00 0.00 N ATOM 779 CA GLY A 50 -8.322 5.922 -5.160 1.00 0.00 C ATOM 780 C GLY A 50 -9.244 5.183 -4.210 1.00 0.00 C ATOM 781 O GLY A 50 -10.424 5.517 -4.092 1.00 0.00 O ATOM 0 H GLY A 50 -6.389 5.257 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.784 6.695 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.918 6.427 -5.921 1.00 0.00 H new ATOM 785 N LYS A 51 -8.707 4.175 -3.532 1.00 0.00 N ATOM 786 CA LYS A 51 -9.490 3.385 -2.588 1.00 0.00 C ATOM 787 C LYS A 51 -8.658 3.023 -1.362 1.00 0.00 C ATOM 788 O LYS A 51 -7.592 2.421 -1.480 1.00 0.00 O ATOM 789 CB LYS A 51 -10.006 2.112 -3.262 1.00 0.00 C ATOM 790 CG LYS A 51 -11.236 2.336 -4.124 1.00 0.00 C ATOM 791 CD LYS A 51 -11.668 1.057 -4.822 1.00 0.00 C ATOM 792 CE LYS A 51 -12.414 1.352 -6.114 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.516 0.147 -6.983 1.00 0.00 N ATOM 0 H LYS A 51 -7.733 3.885 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.339 3.987 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.212 1.690 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.240 1.374 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.053 2.707 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.025 3.104 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.792 0.445 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.306 0.476 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.414 1.717 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.902 2.148 -6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.031 0.389 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.562 -0.187 -7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.027 -0.604 -6.476 1.00 0.00 H new ATOM 807 N GLU A 52 -9.155 3.392 -0.185 1.00 0.00 N ATOM 808 CA GLU A 52 -8.456 3.105 1.063 1.00 0.00 C ATOM 809 C GLU A 52 -8.988 1.826 1.702 1.00 0.00 C ATOM 810 O GLU A 52 -10.188 1.689 1.936 1.00 0.00 O ATOM 811 CB GLU A 52 -8.605 4.274 2.037 1.00 0.00 C ATOM 812 CG GLU A 52 -7.904 5.542 1.577 1.00 0.00 C ATOM 813 CD GLU A 52 -8.801 6.434 0.740 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.586 7.206 1.326 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.715 6.357 -0.505 1.00 0.00 O ATOM 0 H GLU A 52 -10.038 3.890 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.400 2.965 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.665 4.486 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.206 3.980 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.557 6.097 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.021 5.274 0.997 1.00 0.00 H new ATOM 822 N GLY A 53 -8.085 0.890 1.979 1.00 0.00 N ATOM 823 CA GLY A 53 -8.482 -0.367 2.587 1.00 0.00 C ATOM 824 C GLY A 53 -7.387 -0.965 3.448 1.00 0.00 C ATOM 825 O GLY A 53 -6.329 -0.362 3.627 1.00 0.00 O ATOM 0 H GLY A 53 -7.086 0.980 1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.372 -0.208 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.753 -1.076 1.805 1.00 0.00 H new ATOM 829 N TRP A 54 -7.643 -2.154 3.984 1.00 0.00 N ATOM 830 CA TRP A 54 -6.670 -2.834 4.832 1.00 0.00 C ATOM 831 C TRP A 54 -5.920 -3.906 4.050 1.00 0.00 C ATOM 832 O TRP A 54 -6.512 -4.889 3.603 1.00 0.00 O ATOM 833 CB TRP A 54 -7.367 -3.460 6.041 1.00 0.00 C ATOM 834 CG TRP A 54 -7.636 -2.481 7.145 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.857 -2.041 7.569 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.663 -1.821 7.961 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.701 -1.147 8.601 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.364 -0.995 8.861 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.267 -1.848 8.020 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.716 -0.205 9.805 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.625 -1.063 8.959 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.349 -0.251 9.842 1.00 0.00 C ATOM 0 H TRP A 54 -8.514 -2.666 3.847 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.949 -2.094 5.180 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.310 -3.902 5.719 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.750 -4.272 6.427 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.805 -2.350 7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.458 -0.673 9.094 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.700 -2.471 7.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.273 0.423 10.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.546 -1.076 9.013 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.818 0.350 10.565 1.00 0.00 H new ATOM 853 N ALA A 55 -4.616 -3.712 3.888 1.00 0.00 N ATOM 854 CA ALA A 55 -3.786 -4.664 3.161 1.00 0.00 C ATOM 855 C ALA A 55 -2.642 -5.174 4.033 1.00 0.00 C ATOM 856 O ALA A 55 -2.062 -4.437 4.830 1.00 0.00 O ATOM 857 CB ALA A 55 -3.240 -4.028 1.892 1.00 0.00 C ATOM 0 H ALA A 55 -4.111 -2.903 4.251 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.409 -5.516 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.622 -4.751 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.068 -3.719 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.638 -3.157 2.151 1.00 0.00 H new ATOM 863 N PRO A 56 -2.311 -6.464 3.881 1.00 0.00 N ATOM 864 CA PRO A 56 -1.235 -7.101 4.647 1.00 0.00 C ATOM 865 C PRO A 56 0.145 -6.597 4.237 1.00 0.00 C ATOM 866 O PRO A 56 0.541 -6.716 3.078 1.00 0.00 O ATOM 867 CB PRO A 56 -1.385 -8.584 4.304 1.00 0.00 C ATOM 868 CG PRO A 56 -2.052 -8.600 2.972 1.00 0.00 C ATOM 869 CD PRO A 56 -2.960 -7.401 2.949 1.00 0.00 C ATOM 0 HA PRO A 56 -1.312 -6.886 5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.416 -9.082 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.983 -9.105 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.318 -8.549 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.618 -9.521 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.043 -6.979 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.969 -7.655 3.272 1.00 0.00 H new ATOM 877 N ALA A 57 0.873 -6.033 5.196 1.00 0.00 N ATOM 878 CA ALA A 57 2.208 -5.513 4.935 1.00 0.00 C ATOM 879 C ALA A 57 3.019 -6.485 4.085 1.00 0.00 C ATOM 880 O ALA A 57 3.848 -6.072 3.274 1.00 0.00 O ATOM 881 CB ALA A 57 2.928 -5.227 6.244 1.00 0.00 C ATOM 0 H ALA A 57 0.559 -5.925 6.161 1.00 0.00 H new ATOM 0 HA ALA A 57 2.106 -4.582 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.925 -4.839 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.365 -4.490 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.012 -6.147 6.822 1.00 0.00 H new ATOM 887 N SER A 58 2.775 -7.778 4.275 1.00 0.00 N ATOM 888 CA SER A 58 3.486 -8.809 3.529 1.00 0.00 C ATOM 889 C SER A 58 3.472 -8.504 2.034 1.00 0.00 C ATOM 890 O SER A 58 4.467 -8.711 1.337 1.00 0.00 O ATOM 891 CB SER A 58 2.857 -10.180 3.787 1.00 0.00 C ATOM 892 OG SER A 58 3.410 -10.784 4.943 1.00 0.00 O ATOM 0 H SER A 58 2.090 -8.136 4.940 1.00 0.00 H new ATOM 0 HA SER A 58 4.521 -8.822 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.779 -10.072 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.017 -10.826 2.923 1.00 0.00 H new ATOM 0 HG SER A 58 2.991 -11.658 5.088 1.00 0.00 H new ATOM 898 N TYR A 59 2.340 -8.009 1.548 1.00 0.00 N ATOM 899 CA TYR A 59 2.195 -7.677 0.136 1.00 0.00 C ATOM 900 C TYR A 59 2.598 -6.229 -0.128 1.00 0.00 C ATOM 901 O TYR A 59 2.129 -5.606 -1.081 1.00 0.00 O ATOM 902 CB TYR A 59 0.752 -7.908 -0.318 1.00 0.00 C ATOM 903 CG TYR A 59 0.345 -9.363 -0.326 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.342 -10.110 0.846 1.00 0.00 C ATOM 905 CD2 TYR A 59 -0.036 -9.993 -1.505 1.00 0.00 C ATOM 906 CE1 TYR A 59 -0.028 -11.441 0.844 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.409 -11.323 -1.515 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.404 -12.043 -0.338 1.00 0.00 C ATOM 909 OH TYR A 59 -0.774 -13.368 -0.345 1.00 0.00 O ATOM 0 H TYR A 59 1.509 -7.829 2.111 1.00 0.00 H new ATOM 0 HA TYR A 59 2.857 -8.329 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.081 -7.355 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.626 -7.499 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.634 -9.642 1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.040 -9.433 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.023 -12.007 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.703 -11.797 -2.440 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.011 -13.637 -1.257 1.00 0.00 H new ATOM 919 N LEU A 60 3.471 -5.701 0.723 1.00 0.00 N ATOM 920 CA LEU A 60 3.938 -4.326 0.583 1.00 0.00 C ATOM 921 C LEU A 60 5.386 -4.195 1.046 1.00 0.00 C ATOM 922 O LEU A 60 5.849 -4.955 1.896 1.00 0.00 O ATOM 923 CB LEU A 60 3.046 -3.378 1.387 1.00 0.00 C ATOM 924 CG LEU A 60 1.539 -3.554 1.196 1.00 0.00 C ATOM 925 CD1 LEU A 60 0.776 -2.876 2.325 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.103 -3.001 -0.153 1.00 0.00 C ATOM 0 H LEU A 60 3.869 -6.203 1.516 1.00 0.00 H new ATOM 0 HA LEU A 60 3.886 -4.056 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.276 -3.505 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.309 -2.353 1.124 1.00 0.00 H new ATOM 0 HG LEU A 60 1.311 -4.620 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.295 -3.011 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.066 -3.319 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.010 -1.811 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.028 -3.135 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.344 -1.939 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.624 -3.532 -0.950 1.00 0.00 H new ATOM 938 N LYS A 61 6.096 -3.223 0.483 1.00 0.00 N ATOM 939 CA LYS A 61 7.490 -2.988 0.839 1.00 0.00 C ATOM 940 C LYS A 61 7.904 -1.559 0.500 1.00 0.00 C ATOM 941 O LYS A 61 7.602 -1.053 -0.581 1.00 0.00 O ATOM 942 CB LYS A 61 8.398 -3.980 0.109 1.00 0.00 C ATOM 943 CG LYS A 61 8.570 -3.675 -1.370 1.00 0.00 C ATOM 944 CD LYS A 61 9.629 -4.562 -2.002 1.00 0.00 C ATOM 945 CE LYS A 61 11.012 -3.936 -1.903 1.00 0.00 C ATOM 946 NZ LYS A 61 11.203 -2.851 -2.904 1.00 0.00 N ATOM 0 H LYS A 61 5.728 -2.585 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 61 7.594 -3.133 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.378 -3.982 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.987 -4.984 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.620 -3.818 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.847 -2.629 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.632 -5.534 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.381 -4.736 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.158 -3.535 -0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.770 -4.705 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.179 -2.496 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.022 -3.223 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.541 -2.074 -2.705 1.00 0.00 H new ATOM 960 N LYS A 62 8.600 -0.915 1.430 1.00 0.00 N ATOM 961 CA LYS A 62 9.059 0.454 1.230 1.00 0.00 C ATOM 962 C LYS A 62 9.747 0.606 -0.123 1.00 0.00 C ATOM 963 O LYS A 62 10.710 -0.098 -0.423 1.00 0.00 O ATOM 964 CB LYS A 62 10.019 0.861 2.350 1.00 0.00 C ATOM 965 CG LYS A 62 10.047 2.356 2.616 1.00 0.00 C ATOM 966 CD LYS A 62 11.202 2.741 3.525 1.00 0.00 C ATOM 967 CE LYS A 62 11.174 4.222 3.865 1.00 0.00 C ATOM 968 NZ LYS A 62 12.375 4.635 4.644 1.00 0.00 N ATOM 0 H LYS A 62 8.859 -1.319 2.330 1.00 0.00 H new ATOM 0 HA LYS A 62 8.188 1.109 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.735 0.343 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.025 0.527 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.132 2.893 1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.106 2.663 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.155 2.155 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.146 2.496 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.119 4.805 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.274 4.446 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.318 5.652 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.414 4.097 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.232 4.445 4.087 1.00 0.00 H new ATOM 982 N ALA A 63 9.245 1.530 -0.936 1.00 0.00 N ATOM 983 CA ALA A 63 9.813 1.776 -2.256 1.00 0.00 C ATOM 984 C ALA A 63 10.733 2.992 -2.239 1.00 0.00 C ATOM 985 O ALA A 63 10.281 4.124 -2.068 1.00 0.00 O ATOM 986 CB ALA A 63 8.704 1.965 -3.281 1.00 0.00 C ATOM 0 H ALA A 63 8.446 2.120 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 63 10.408 0.907 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.143 2.148 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.088 1.067 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.086 2.816 -2.996 1.00 0.00 H new