USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 643 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 29 LYS NZ :NH3+ 143:sc= 1.1 (180deg=-0.791) USER MOD Set 1.2: A 74 CYS SG : rot 169:sc= 0.309 USER MOD Single : A 7 CYS SG : rot -71:sc= -2.83! USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.121) USER MOD Single : A 10 MET CE :methyl 158:sc= -0.255 (180deg=-0.962) USER MOD Single : A 11 SER OG : rot -87:sc= 1.22 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.57 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 1.24 (180deg=0.858) USER MOD Single : A 17 GLN : amide:sc= -0.0837 K(o=-0.084,f=-0.88) USER MOD Single : A 19 SER OG : rot 140:sc= -2.6! USER MOD Single : A 23 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.045) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0812) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.0276 K(o=0.028,f=-0.57) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc=-0.00893 (180deg=-0.119) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 47 SER OG : rot 94:sc= 0.0963 USER MOD Single : A 48 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.36) USER MOD Single : A 58 THR OG1 : rot -11:sc= -0.563 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0.781 (180deg=0.69) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 63 THR OG1 : rot 157:sc= -0.0521 USER MOD Single : A 70 TYR OH : rot 178:sc= 1.22 USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.427 USER MOD Single : A 73 SER OG : rot -85:sc= 1.23 USER MOD Single : B 205 LYS NZ :NH3+ -161:sc= -0.221 (180deg=-1.43!) USER MOD Single : B 207 THR OG1 : rot 180:sc= 0 USER MOD Single : B 208 LYS NZ :NH3+ 172:sc= -0.225! (180deg=-0.393!) USER MOD ----------------------------------------------------------------- ATOM 93 N CYS A 7 -15.286 -2.201 -5.177 1.00 0.00 N ATOM 94 CA CYS A 7 -15.189 -2.844 -3.874 1.00 0.00 C ATOM 95 C CYS A 7 -15.593 -1.872 -2.769 1.00 0.00 C ATOM 96 O CYS A 7 -15.613 -0.656 -2.973 1.00 0.00 O ATOM 97 CB CYS A 7 -13.760 -3.351 -3.643 1.00 0.00 C ATOM 98 SG CYS A 7 -13.592 -4.501 -2.255 1.00 0.00 S ATOM 0 HA CYS A 7 -15.871 -3.694 -3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.410 -3.842 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.107 -2.495 -3.472 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.734 -3.854 -1.136 1.00 0.00 H new ATOM 104 N LYS A 8 -15.943 -2.418 -1.614 1.00 0.00 N ATOM 105 CA LYS A 8 -16.304 -1.620 -0.454 1.00 0.00 C ATOM 106 C LYS A 8 -15.078 -1.391 0.425 1.00 0.00 C ATOM 107 O LYS A 8 -14.135 -2.189 0.399 1.00 0.00 O ATOM 108 CB LYS A 8 -17.402 -2.317 0.357 1.00 0.00 C ATOM 109 CG LYS A 8 -18.810 -2.108 -0.181 1.00 0.00 C ATOM 110 CD LYS A 8 -19.003 -2.735 -1.551 1.00 0.00 C ATOM 111 CE LYS A 8 -20.386 -2.440 -2.109 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.469 -3.003 -1.259 1.00 0.00 N ATOM 0 H LYS A 8 -15.984 -3.425 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.682 -0.658 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.192 -3.386 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.362 -1.957 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.530 -2.536 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.019 -1.040 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.245 -2.356 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.860 -3.813 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.518 -1.361 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.465 -2.852 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.380 -2.912 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.276 -4.008 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.509 -2.484 -0.359 1.00 0.00 H new ATOM 126 N PRO A 9 -15.069 -0.299 1.212 1.00 0.00 N ATOM 127 CA PRO A 9 -13.951 0.023 2.098 1.00 0.00 C ATOM 128 C PRO A 9 -13.747 -1.029 3.173 1.00 0.00 C ATOM 129 O PRO A 9 -14.686 -1.716 3.579 1.00 0.00 O ATOM 130 CB PRO A 9 -14.346 1.343 2.757 1.00 0.00 C ATOM 131 CG PRO A 9 -15.487 1.877 1.957 1.00 0.00 C ATOM 132 CD PRO A 9 -16.149 0.696 1.306 1.00 0.00 C ATOM 0 HA PRO A 9 -13.018 0.074 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.637 1.189 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.510 2.043 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.190 2.411 2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.136 2.586 1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.984 0.326 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.546 0.950 0.323 1.00 0.00 H new ATOM 140 N MET A 10 -12.518 -1.144 3.632 1.00 0.00 N ATOM 141 CA MET A 10 -12.196 -2.049 4.713 1.00 0.00 C ATOM 142 C MET A 10 -12.148 -1.287 6.032 1.00 0.00 C ATOM 143 O MET A 10 -12.053 -0.057 6.043 1.00 0.00 O ATOM 144 CB MET A 10 -10.869 -2.762 4.439 1.00 0.00 C ATOM 145 CG MET A 10 -9.709 -1.827 4.182 1.00 0.00 C ATOM 146 SD MET A 10 -8.171 -2.705 3.849 1.00 0.00 S ATOM 147 CE MET A 10 -8.650 -3.748 2.472 1.00 0.00 C ATOM 0 H MET A 10 -11.722 -0.618 3.270 1.00 0.00 H new ATOM 0 HA MET A 10 -12.974 -2.809 4.783 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.628 -3.398 5.291 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.992 -3.417 3.577 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.947 -1.184 3.335 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.572 -1.178 5.047 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.762 -4.045 1.914 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.156 -4.637 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.324 -3.197 1.815 1.00 0.00 H new ATOM 157 N SER A 11 -12.224 -2.021 7.130 1.00 0.00 N ATOM 158 CA SER A 11 -12.306 -1.432 8.464 1.00 0.00 C ATOM 159 C SER A 11 -11.007 -0.735 8.872 1.00 0.00 C ATOM 160 O SER A 11 -9.986 -0.852 8.187 1.00 0.00 O ATOM 161 CB SER A 11 -12.657 -2.516 9.488 1.00 0.00 C ATOM 162 OG SER A 11 -11.734 -3.593 9.432 1.00 0.00 O ATOM 0 H SER A 11 -12.231 -3.041 7.126 1.00 0.00 H new ATOM 0 HA SER A 11 -13.089 -0.674 8.439 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.659 -2.087 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.664 -2.887 9.298 1.00 0.00 H new ATOM 0 HG SER A 11 -12.026 -4.239 8.755 1.00 0.00 H new ATOM 168 N TYR A 12 -11.049 -0.027 9.997 1.00 0.00 N ATOM 169 CA TYR A 12 -9.867 0.648 10.532 1.00 0.00 C ATOM 170 C TYR A 12 -8.770 -0.379 10.810 1.00 0.00 C ATOM 171 O TYR A 12 -7.596 -0.145 10.512 1.00 0.00 O ATOM 172 CB TYR A 12 -10.246 1.414 11.810 1.00 0.00 C ATOM 173 CG TYR A 12 -9.149 2.287 12.387 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.039 1.731 13.002 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.243 3.671 12.337 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.052 2.525 13.551 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.260 4.474 12.880 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.167 3.898 13.487 1.00 0.00 C ATOM 179 OH TYR A 12 -6.185 4.695 14.031 1.00 0.00 O ATOM 0 H TYR A 12 -11.891 0.095 10.559 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.488 1.364 9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.112 2.040 11.596 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.553 0.694 12.569 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.944 0.656 13.053 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.100 4.128 11.865 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.195 2.074 14.028 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.348 5.549 12.829 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.419 5.638 13.900 1.00 0.00 H new ATOM 189 N GLU A 13 -9.174 -1.529 11.352 1.00 0.00 N ATOM 190 CA GLU A 13 -8.247 -2.627 11.627 1.00 0.00 C ATOM 191 C GLU A 13 -7.514 -3.033 10.356 1.00 0.00 C ATOM 192 O GLU A 13 -6.292 -3.193 10.347 1.00 0.00 O ATOM 193 CB GLU A 13 -8.997 -3.845 12.178 1.00 0.00 C ATOM 194 CG GLU A 13 -8.086 -5.024 12.478 1.00 0.00 C ATOM 195 CD GLU A 13 -8.848 -6.232 12.968 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.441 -6.946 12.134 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.862 -6.470 14.193 1.00 0.00 O ATOM 0 H GLU A 13 -10.141 -1.724 11.610 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.529 -2.279 12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.522 -3.559 13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.754 -4.154 11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.531 -5.289 11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.353 -4.731 13.230 1.00 0.00 H new ATOM 204 N GLU A 14 -8.275 -3.169 9.280 1.00 0.00 N ATOM 205 CA GLU A 14 -7.744 -3.653 8.015 1.00 0.00 C ATOM 206 C GLU A 14 -6.832 -2.612 7.378 1.00 0.00 C ATOM 207 O GLU A 14 -5.748 -2.937 6.902 1.00 0.00 O ATOM 208 CB GLU A 14 -8.890 -4.013 7.069 1.00 0.00 C ATOM 209 CG GLU A 14 -9.689 -5.230 7.514 1.00 0.00 C ATOM 210 CD GLU A 14 -10.975 -5.400 6.734 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.962 -4.706 7.055 1.00 0.00 O ATOM 212 OE2 GLU A 14 -11.010 -6.230 5.802 1.00 0.00 O ATOM 0 H GLU A 14 -9.271 -2.949 9.259 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.152 -4.548 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.562 -3.159 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.484 -4.199 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.077 -6.124 7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.921 -5.139 8.575 1.00 0.00 H new ATOM 219 N LYS A 15 -7.272 -1.359 7.394 1.00 0.00 N ATOM 220 CA LYS A 15 -6.477 -0.256 6.870 1.00 0.00 C ATOM 221 C LYS A 15 -5.150 -0.137 7.615 1.00 0.00 C ATOM 222 O LYS A 15 -4.098 0.071 7.008 1.00 0.00 O ATOM 223 CB LYS A 15 -7.263 1.051 6.975 1.00 0.00 C ATOM 224 CG LYS A 15 -8.411 1.147 5.988 1.00 0.00 C ATOM 225 CD LYS A 15 -9.381 2.255 6.358 1.00 0.00 C ATOM 226 CE LYS A 15 -9.903 2.962 5.124 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.868 4.032 5.472 1.00 0.00 N ATOM 0 H LYS A 15 -8.180 -1.081 7.766 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.259 -0.457 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.655 1.150 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.584 1.888 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.017 1.328 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.942 0.196 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.216 1.838 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.884 2.974 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.068 3.391 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.384 2.238 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.727 4.846 4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.838 3.673 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.717 4.329 6.457 1.00 0.00 H new ATOM 241 N ARG A 16 -5.203 -0.270 8.934 1.00 0.00 N ATOM 242 CA ARG A 16 -3.996 -0.229 9.751 1.00 0.00 C ATOM 243 C ARG A 16 -3.097 -1.435 9.463 1.00 0.00 C ATOM 244 O ARG A 16 -1.877 -1.299 9.392 1.00 0.00 O ATOM 245 CB ARG A 16 -4.356 -0.166 11.246 1.00 0.00 C ATOM 246 CG ARG A 16 -3.151 -0.156 12.183 1.00 0.00 C ATOM 247 CD ARG A 16 -3.569 -0.113 13.640 1.00 0.00 C ATOM 248 NE ARG A 16 -4.064 1.208 14.028 1.00 0.00 N ATOM 249 CZ ARG A 16 -3.980 1.698 15.266 1.00 0.00 C ATOM 250 NH1 ARG A 16 -3.462 0.961 16.242 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.426 2.922 15.531 1.00 0.00 N ATOM 0 H ARG A 16 -6.066 -0.407 9.460 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.443 0.674 9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.950 0.730 11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.986 -1.021 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.545 -1.045 12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.524 0.707 11.959 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.345 -0.858 13.817 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.720 -0.382 14.269 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.499 1.788 13.310 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.127 0.018 16.046 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.399 1.338 17.188 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.833 3.489 14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.361 3.295 16.478 1.00 0.00 H new ATOM 265 N GLN A 17 -3.702 -2.607 9.286 1.00 0.00 N ATOM 266 CA GLN A 17 -2.954 -3.812 8.962 1.00 0.00 C ATOM 267 C GLN A 17 -2.301 -3.689 7.595 1.00 0.00 C ATOM 268 O GLN A 17 -1.220 -4.214 7.365 1.00 0.00 O ATOM 269 CB GLN A 17 -3.867 -5.038 8.998 1.00 0.00 C ATOM 270 CG GLN A 17 -3.121 -6.336 8.767 1.00 0.00 C ATOM 271 CD GLN A 17 -2.073 -6.595 9.827 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.230 -6.204 10.986 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.991 -7.242 9.436 1.00 0.00 N ATOM 0 H GLN A 17 -4.710 -2.745 9.362 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.172 -3.935 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.371 -5.081 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.642 -4.930 8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.831 -7.163 8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.644 -6.308 7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.902 -7.548 8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.244 -7.436 10.103 1.00 0.00 H new ATOM 282 N LEU A 18 -2.964 -2.980 6.705 1.00 0.00 N ATOM 283 CA LEU A 18 -2.450 -2.745 5.362 1.00 0.00 C ATOM 284 C LEU A 18 -1.216 -1.848 5.426 1.00 0.00 C ATOM 285 O LEU A 18 -0.249 -2.021 4.694 1.00 0.00 O ATOM 286 CB LEU A 18 -3.542 -2.102 4.510 1.00 0.00 C ATOM 287 CG LEU A 18 -3.733 -2.679 3.106 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.047 -2.200 2.527 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.596 -2.284 2.187 1.00 0.00 C ATOM 0 H LEU A 18 -3.871 -2.550 6.886 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.160 -3.693 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.488 -2.185 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.321 -1.039 4.416 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.742 -3.766 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.177 -2.614 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.867 -2.529 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.045 -1.111 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.763 -2.710 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.550 -1.198 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.655 -2.659 2.590 1.00 0.00 H new ATOM 301 N SER A 19 -1.251 -0.877 6.313 1.00 0.00 N ATOM 302 CA SER A 19 -0.068 -0.082 6.590 1.00 0.00 C ATOM 303 C SER A 19 1.059 -0.984 7.095 1.00 0.00 C ATOM 304 O SER A 19 2.238 -0.763 6.802 1.00 0.00 O ATOM 305 CB SER A 19 -0.397 1.008 7.619 1.00 0.00 C ATOM 306 OG SER A 19 0.754 1.756 7.975 1.00 0.00 O ATOM 0 H SER A 19 -2.077 -0.618 6.852 1.00 0.00 H new ATOM 0 HA SER A 19 0.263 0.402 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.154 1.677 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.824 0.550 8.511 1.00 0.00 H new ATOM 0 HG SER A 19 0.517 2.703 8.055 1.00 0.00 H new ATOM 312 N LEU A 20 0.682 -2.015 7.830 1.00 0.00 N ATOM 313 CA LEU A 20 1.637 -2.950 8.398 1.00 0.00 C ATOM 314 C LEU A 20 2.144 -3.944 7.351 1.00 0.00 C ATOM 315 O LEU A 20 3.305 -4.353 7.391 1.00 0.00 O ATOM 316 CB LEU A 20 0.996 -3.686 9.573 1.00 0.00 C ATOM 317 CG LEU A 20 0.725 -2.829 10.807 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.069 -3.632 11.813 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.031 -2.359 11.425 1.00 0.00 C ATOM 0 H LEU A 20 -0.291 -2.227 8.049 1.00 0.00 H new ATOM 0 HA LEU A 20 2.500 -2.386 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.054 -4.121 9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.645 -4.513 9.860 1.00 0.00 H new ATOM 0 HG LEU A 20 0.151 -1.951 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.263 -3.021 12.695 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.016 -3.938 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.499 -4.516 12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.819 -1.749 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.627 -3.223 11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.585 -1.766 10.697 1.00 0.00 H new ATOM 331 N ASP A 21 1.285 -4.309 6.405 1.00 0.00 N ATOM 332 CA ASP A 21 1.628 -5.326 5.417 1.00 0.00 C ATOM 333 C ASP A 21 2.519 -4.765 4.305 1.00 0.00 C ATOM 334 O ASP A 21 3.392 -5.468 3.790 1.00 0.00 O ATOM 335 CB ASP A 21 0.367 -6.013 4.863 1.00 0.00 C ATOM 336 CG ASP A 21 -0.610 -5.115 4.147 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.184 -4.238 3.387 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.829 -5.343 4.311 1.00 0.00 O ATOM 0 H ASP A 21 0.349 -3.917 6.301 1.00 0.00 H new ATOM 0 HA ASP A 21 2.215 -6.092 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.677 -6.801 4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.153 -6.497 5.690 1.00 0.00 H new ATOM 343 N ILE A 22 2.335 -3.496 3.961 1.00 0.00 N ATOM 344 CA ILE A 22 3.206 -2.845 2.987 1.00 0.00 C ATOM 345 C ILE A 22 4.556 -2.553 3.616 1.00 0.00 C ATOM 346 O ILE A 22 5.599 -2.617 2.963 1.00 0.00 O ATOM 347 CB ILE A 22 2.582 -1.541 2.459 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.288 -1.856 1.715 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.543 -0.799 1.546 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.406 -0.657 1.534 1.00 0.00 C ATOM 0 H ILE A 22 1.597 -2.901 4.338 1.00 0.00 H new ATOM 0 HA ILE A 22 3.335 -3.523 2.143 1.00 0.00 H new ATOM 0 HB ILE A 22 2.365 -0.896 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.530 -2.272 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.740 -2.624 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.072 0.117 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.450 -0.551 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.797 -1.431 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.498 -0.948 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.135 -0.254 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.938 0.103 0.962 1.00 0.00 H new ATOM 362 N ASN A 23 4.523 -2.260 4.907 1.00 0.00 N ATOM 363 CA ASN A 23 5.725 -2.036 5.686 1.00 0.00 C ATOM 364 C ASN A 23 6.588 -3.308 5.730 1.00 0.00 C ATOM 365 O ASN A 23 7.782 -3.255 6.033 1.00 0.00 O ATOM 366 CB ASN A 23 5.311 -1.596 7.093 1.00 0.00 C ATOM 367 CG ASN A 23 6.470 -1.445 8.057 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.866 -2.396 8.732 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.011 -0.241 8.140 1.00 0.00 N ATOM 0 H ASN A 23 3.659 -2.171 5.442 1.00 0.00 H new ATOM 0 HA ASN A 23 6.330 -1.255 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.782 -0.645 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.607 -2.323 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.786 -0.073 8.781 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.653 0.520 7.563 1.00 0.00 H new ATOM 376 N LYS A 24 5.974 -4.448 5.407 1.00 0.00 N ATOM 377 CA LYS A 24 6.674 -5.730 5.377 1.00 0.00 C ATOM 378 C LYS A 24 7.457 -5.914 4.078 1.00 0.00 C ATOM 379 O LYS A 24 8.542 -6.497 4.076 1.00 0.00 O ATOM 380 CB LYS A 24 5.676 -6.881 5.526 1.00 0.00 C ATOM 381 CG LYS A 24 5.072 -6.994 6.915 1.00 0.00 C ATOM 382 CD LYS A 24 4.033 -8.100 6.974 1.00 0.00 C ATOM 383 CE LYS A 24 3.356 -8.162 8.334 1.00 0.00 C ATOM 384 NZ LYS A 24 4.315 -8.481 9.422 1.00 0.00 N ATOM 0 H LYS A 24 4.986 -4.507 5.161 1.00 0.00 H new ATOM 0 HA LYS A 24 7.377 -5.736 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.873 -6.749 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.177 -7.818 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.860 -7.192 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.613 -6.045 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.282 -7.936 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.508 -9.057 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.876 -7.206 8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.569 -8.916 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.793 -8.663 10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.864 -9.326 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.961 -7.678 9.562 1.00 0.00 H new ATOM 398 N LEU A 25 6.898 -5.413 2.985 1.00 0.00 N ATOM 399 CA LEU A 25 7.472 -5.613 1.655 1.00 0.00 C ATOM 400 C LEU A 25 8.881 -5.036 1.545 1.00 0.00 C ATOM 401 O LEU A 25 9.117 -3.882 1.912 1.00 0.00 O ATOM 402 CB LEU A 25 6.588 -4.960 0.597 1.00 0.00 C ATOM 403 CG LEU A 25 5.148 -5.451 0.541 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.485 -4.935 -0.713 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.094 -6.959 0.589 1.00 0.00 C ATOM 0 H LEU A 25 6.041 -4.860 2.991 1.00 0.00 H new ATOM 0 HA LEU A 25 7.528 -6.689 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.578 -3.884 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.045 -5.120 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 25 4.611 -5.070 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.454 -5.288 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.496 -3.845 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.026 -5.299 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.055 -7.287 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.639 -7.370 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.549 -7.310 1.515 1.00 0.00 H new ATOM 417 N PRO A 26 9.841 -5.847 1.060 1.00 0.00 N ATOM 418 CA PRO A 26 11.187 -5.365 0.721 1.00 0.00 C ATOM 419 C PRO A 26 11.132 -4.244 -0.316 1.00 0.00 C ATOM 420 O PRO A 26 10.209 -4.204 -1.126 1.00 0.00 O ATOM 421 CB PRO A 26 11.879 -6.605 0.141 1.00 0.00 C ATOM 422 CG PRO A 26 11.133 -7.757 0.717 1.00 0.00 C ATOM 423 CD PRO A 26 9.706 -7.301 0.841 1.00 0.00 C ATOM 0 HA PRO A 26 11.709 -4.945 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.836 -6.610 -0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.933 -6.637 0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.209 -8.633 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.539 -8.039 1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.132 -7.522 -0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.197 -7.789 1.672 1.00 0.00 H new ATOM 431 N GLY A 27 12.130 -3.359 -0.288 1.00 0.00 N ATOM 432 CA GLY A 27 12.126 -2.143 -1.101 1.00 0.00 C ATOM 433 C GLY A 27 11.675 -2.328 -2.546 1.00 0.00 C ATOM 434 O GLY A 27 10.902 -1.515 -3.057 1.00 0.00 O ATOM 0 H GLY A 27 12.960 -3.465 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.475 -1.410 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.132 -1.723 -1.102 1.00 0.00 H new ATOM 438 N GLU A 28 12.142 -3.384 -3.206 1.00 0.00 N ATOM 439 CA GLU A 28 11.791 -3.622 -4.606 1.00 0.00 C ATOM 440 C GLU A 28 10.286 -3.864 -4.754 1.00 0.00 C ATOM 441 O GLU A 28 9.630 -3.275 -5.617 1.00 0.00 O ATOM 442 CB GLU A 28 12.582 -4.827 -5.155 1.00 0.00 C ATOM 443 CG GLU A 28 12.261 -5.200 -6.594 1.00 0.00 C ATOM 444 CD GLU A 28 12.663 -6.618 -6.935 1.00 0.00 C ATOM 445 OE1 GLU A 28 11.897 -7.548 -6.616 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.736 -6.804 -7.553 1.00 0.00 O ATOM 0 H GLU A 28 12.761 -4.085 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 28 12.054 -2.735 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.647 -4.609 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.388 -5.691 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.192 -5.079 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.772 -4.511 -7.266 1.00 0.00 H new ATOM 453 N LYS A 29 9.754 -4.729 -3.901 1.00 0.00 N ATOM 454 CA LYS A 29 8.328 -5.023 -3.870 1.00 0.00 C ATOM 455 C LYS A 29 7.541 -3.813 -3.384 1.00 0.00 C ATOM 456 O LYS A 29 6.444 -3.526 -3.860 1.00 0.00 O ATOM 457 CB LYS A 29 8.082 -6.205 -2.934 1.00 0.00 C ATOM 458 CG LYS A 29 8.580 -7.536 -3.466 1.00 0.00 C ATOM 459 CD LYS A 29 7.742 -8.018 -4.636 1.00 0.00 C ATOM 460 CE LYS A 29 8.073 -9.455 -5.000 1.00 0.00 C ATOM 461 NZ LYS A 29 7.938 -10.370 -3.833 1.00 0.00 N ATOM 0 H LYS A 29 10.299 -5.246 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 29 7.994 -5.269 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.567 -6.004 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.012 -6.282 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.620 -7.438 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.555 -8.279 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.684 -7.939 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.914 -7.374 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.412 -9.788 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.091 -9.506 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.554 -11.283 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.871 -10.519 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.294 -9.948 -3.134 1.00 0.00 H new ATOM 475 N LEU A 30 8.126 -3.121 -2.430 1.00 0.00 N ATOM 476 CA LEU A 30 7.534 -1.943 -1.819 1.00 0.00 C ATOM 477 C LEU A 30 7.307 -0.829 -2.837 1.00 0.00 C ATOM 478 O LEU A 30 6.252 -0.196 -2.823 1.00 0.00 O ATOM 479 CB LEU A 30 8.456 -1.475 -0.694 1.00 0.00 C ATOM 480 CG LEU A 30 8.019 -0.221 0.038 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.532 -0.269 0.349 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.837 -0.077 1.312 1.00 0.00 C ATOM 0 H LEU A 30 9.041 -3.362 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 30 6.553 -2.200 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.551 -2.282 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.448 -1.303 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 30 8.192 0.647 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.241 0.641 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.968 -0.348 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.319 -1.134 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.528 0.823 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.676 -0.947 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.895 -0.003 1.059 1.00 0.00 H new ATOM 494 N GLY A 31 8.277 -0.612 -3.724 1.00 0.00 N ATOM 495 CA GLY A 31 8.179 0.462 -4.707 1.00 0.00 C ATOM 496 C GLY A 31 6.904 0.401 -5.531 1.00 0.00 C ATOM 497 O GLY A 31 6.412 1.428 -5.999 1.00 0.00 O ATOM 0 H GLY A 31 9.134 -1.162 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.227 1.422 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.039 0.415 -5.375 1.00 0.00 H new ATOM 501 N ARG A 32 6.357 -0.799 -5.689 1.00 0.00 N ATOM 502 CA ARG A 32 5.109 -0.982 -6.415 1.00 0.00 C ATOM 503 C ARG A 32 3.954 -0.294 -5.694 1.00 0.00 C ATOM 504 O ARG A 32 3.192 0.440 -6.307 1.00 0.00 O ATOM 505 CB ARG A 32 4.803 -2.472 -6.565 1.00 0.00 C ATOM 506 CG ARG A 32 3.485 -2.770 -7.276 1.00 0.00 C ATOM 507 CD ARG A 32 3.532 -2.347 -8.737 1.00 0.00 C ATOM 508 NE ARG A 32 4.554 -3.074 -9.490 1.00 0.00 N ATOM 509 CZ ARG A 32 5.019 -2.683 -10.674 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.540 -1.584 -11.246 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.949 -3.397 -11.294 1.00 0.00 N ATOM 0 H ARG A 32 6.761 -1.661 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 32 5.222 -0.532 -7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.616 -2.945 -7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.781 -2.929 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.269 -3.836 -7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.672 -2.249 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.557 -2.516 -9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.731 -1.277 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 32 4.932 -3.930 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.816 -1.040 -10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.897 -1.285 -12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.310 -4.248 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.303 -3.095 -12.201 1.00 0.00 H new ATOM 525 N VAL A 33 3.851 -0.516 -4.390 1.00 0.00 N ATOM 526 CA VAL A 33 2.715 -0.017 -3.614 1.00 0.00 C ATOM 527 C VAL A 33 2.745 1.494 -3.519 1.00 0.00 C ATOM 528 O VAL A 33 1.729 2.146 -3.751 1.00 0.00 O ATOM 529 CB VAL A 33 2.665 -0.611 -2.194 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.225 -0.862 -1.803 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.476 -1.891 -2.094 1.00 0.00 C ATOM 0 H VAL A 33 4.538 -1.037 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 33 1.819 -0.335 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 33 3.109 0.107 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.189 -1.282 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.673 0.078 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.774 -1.563 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.417 -2.281 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.077 -2.630 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.517 -1.683 -2.343 1.00 0.00 H new ATOM 541 N VAL A 34 3.910 2.048 -3.197 1.00 0.00 N ATOM 542 CA VAL A 34 4.085 3.504 -3.188 1.00 0.00 C ATOM 543 C VAL A 34 3.599 4.079 -4.514 1.00 0.00 C ATOM 544 O VAL A 34 2.945 5.119 -4.556 1.00 0.00 O ATOM 545 CB VAL A 34 5.567 3.919 -2.919 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.463 2.711 -2.916 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.085 4.938 -3.931 1.00 0.00 C ATOM 0 H VAL A 34 4.743 1.519 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 34 3.491 3.911 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 34 5.583 4.392 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.491 3.021 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.142 2.022 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.406 2.213 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.119 5.191 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.034 4.513 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.473 5.839 -3.887 1.00 0.00 H new ATOM 557 N HIS A 35 3.897 3.359 -5.583 1.00 0.00 N ATOM 558 CA HIS A 35 3.461 3.740 -6.917 1.00 0.00 C ATOM 559 C HIS A 35 1.947 3.559 -7.082 1.00 0.00 C ATOM 560 O HIS A 35 1.283 4.417 -7.659 1.00 0.00 O ATOM 561 CB HIS A 35 4.215 2.924 -7.967 1.00 0.00 C ATOM 562 CG HIS A 35 3.996 3.396 -9.373 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.714 4.428 -9.936 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.133 2.976 -10.329 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.303 4.622 -11.174 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.346 3.755 -11.439 1.00 0.00 N ATOM 0 H HIS A 35 4.445 2.499 -5.552 1.00 0.00 H new ATOM 0 HA HIS A 35 3.686 4.797 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.281 2.959 -7.744 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.908 1.881 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.412 2.177 -10.235 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.686 5.366 -11.856 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.846 3.676 -12.324 1.00 0.00 H new ATOM 575 N ILE A 36 1.410 2.444 -6.578 1.00 0.00 N ATOM 576 CA ILE A 36 -0.024 2.165 -6.684 1.00 0.00 C ATOM 577 C ILE A 36 -0.846 3.270 -6.032 1.00 0.00 C ATOM 578 O ILE A 36 -1.735 3.842 -6.665 1.00 0.00 O ATOM 579 CB ILE A 36 -0.441 0.807 -6.054 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.338 -0.356 -6.675 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.940 0.590 -6.242 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.154 -1.727 -6.249 1.00 0.00 C ATOM 0 H ILE A 36 1.945 1.723 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.226 2.116 -7.754 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.207 0.839 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.278 -0.281 -7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.390 -0.259 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.228 -0.363 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.488 1.397 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.176 0.581 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.449 -2.496 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.068 -1.824 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.197 -1.847 -6.542 1.00 0.00 H new ATOM 594 N ILE A 37 -0.545 3.582 -4.773 1.00 0.00 N ATOM 595 CA ILE A 37 -1.309 4.591 -4.050 1.00 0.00 C ATOM 596 C ILE A 37 -1.204 5.945 -4.739 1.00 0.00 C ATOM 597 O ILE A 37 -2.210 6.597 -4.984 1.00 0.00 O ATOM 598 CB ILE A 37 -0.871 4.750 -2.576 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.033 3.443 -1.810 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.710 5.827 -1.920 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.265 2.862 -1.313 1.00 0.00 C ATOM 0 H ILE A 37 0.213 3.156 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.340 4.238 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 37 0.183 5.029 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.694 3.611 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.523 2.714 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.405 5.943 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.568 6.770 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.762 5.544 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.067 1.933 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.921 2.660 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.748 3.572 -0.641 1.00 0.00 H new ATOM 613 N GLN A 38 0.016 6.353 -5.057 1.00 0.00 N ATOM 614 CA GLN A 38 0.250 7.629 -5.729 1.00 0.00 C ATOM 615 C GLN A 38 -0.486 7.703 -7.067 1.00 0.00 C ATOM 616 O GLN A 38 -0.985 8.762 -7.452 1.00 0.00 O ATOM 617 CB GLN A 38 1.750 7.860 -5.948 1.00 0.00 C ATOM 618 CG GLN A 38 2.529 8.127 -4.662 1.00 0.00 C ATOM 619 CD GLN A 38 3.760 9.005 -4.918 1.00 0.00 C ATOM 620 OE1 GLN A 38 4.303 8.992 -6.021 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.251 9.744 -3.919 1.00 0.00 N ATOM 0 H GLN A 38 0.863 5.819 -4.861 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.141 8.413 -5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.174 6.986 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.883 8.705 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.878 8.615 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.842 7.180 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.789 9.744 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.088 10.308 -4.066 1.00 0.00 H new ATOM 630 N SER A 39 -0.552 6.582 -7.770 1.00 0.00 N ATOM 631 CA SER A 39 -1.228 6.530 -9.056 1.00 0.00 C ATOM 632 C SER A 39 -2.742 6.653 -8.887 1.00 0.00 C ATOM 633 O SER A 39 -3.394 7.394 -9.623 1.00 0.00 O ATOM 634 CB SER A 39 -0.870 5.233 -9.791 1.00 0.00 C ATOM 635 OG SER A 39 -1.542 5.136 -11.038 1.00 0.00 O ATOM 0 H SER A 39 -0.145 5.696 -7.471 1.00 0.00 H new ATOM 0 HA SER A 39 -0.889 7.376 -9.654 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.207 5.192 -9.953 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.132 4.377 -9.169 1.00 0.00 H new ATOM 0 HG SER A 39 -1.290 4.299 -11.481 1.00 0.00 H new ATOM 641 N ARG A 40 -3.295 5.940 -7.910 1.00 0.00 N ATOM 642 CA ARG A 40 -4.741 5.931 -7.706 1.00 0.00 C ATOM 643 C ARG A 40 -5.197 7.177 -6.958 1.00 0.00 C ATOM 644 O ARG A 40 -6.283 7.699 -7.207 1.00 0.00 O ATOM 645 CB ARG A 40 -5.181 4.690 -6.933 1.00 0.00 C ATOM 646 CG ARG A 40 -4.656 3.382 -7.506 1.00 0.00 C ATOM 647 CD ARG A 40 -5.608 2.244 -7.234 1.00 0.00 C ATOM 648 NE ARG A 40 -6.866 2.388 -7.966 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.639 1.366 -8.329 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.304 0.124 -8.003 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.752 1.592 -9.017 1.00 0.00 N ATOM 0 H ARG A 40 -2.769 5.365 -7.252 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.204 5.918 -8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.847 4.781 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.270 4.654 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.508 3.487 -8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.682 3.157 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.134 1.302 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.815 2.194 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.170 3.330 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.451 -0.051 -7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.900 -0.655 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.013 2.546 -9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.346 0.811 -9.297 1.00 0.00 H new ATOM 665 N GLU A 41 -4.373 7.635 -6.030 1.00 0.00 N ATOM 666 CA GLU A 41 -4.681 8.812 -5.228 1.00 0.00 C ATOM 667 C GLU A 41 -3.769 9.981 -5.608 1.00 0.00 C ATOM 668 O GLU A 41 -2.731 10.194 -4.980 1.00 0.00 O ATOM 669 CB GLU A 41 -4.502 8.497 -3.742 1.00 0.00 C ATOM 670 CG GLU A 41 -5.244 7.263 -3.259 1.00 0.00 C ATOM 671 CD GLU A 41 -6.725 7.303 -3.557 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.336 8.386 -3.439 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.288 6.249 -3.904 1.00 0.00 O ATOM 0 H GLU A 41 -3.475 7.205 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.716 9.092 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.439 8.368 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.836 9.356 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.810 6.380 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.099 7.158 -2.184 1.00 0.00 H new ATOM 680 N PRO A 42 -4.145 10.769 -6.632 1.00 0.00 N ATOM 681 CA PRO A 42 -3.320 11.885 -7.122 1.00 0.00 C ATOM 682 C PRO A 42 -3.131 12.995 -6.082 1.00 0.00 C ATOM 683 O PRO A 42 -2.227 13.824 -6.204 1.00 0.00 O ATOM 684 CB PRO A 42 -4.102 12.419 -8.329 1.00 0.00 C ATOM 685 CG PRO A 42 -5.060 11.336 -8.688 1.00 0.00 C ATOM 686 CD PRO A 42 -5.390 10.635 -7.404 1.00 0.00 C ATOM 0 HA PRO A 42 -2.311 11.550 -7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.627 13.342 -8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.435 12.646 -9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.958 11.746 -9.151 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.618 10.646 -9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.234 11.100 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.653 9.590 -7.569 1.00 0.00 H new ATOM 694 N SER A 43 -3.981 13.002 -5.060 1.00 0.00 N ATOM 695 CA SER A 43 -3.909 13.998 -4.001 1.00 0.00 C ATOM 696 C SER A 43 -2.611 13.865 -3.208 1.00 0.00 C ATOM 697 O SER A 43 -2.071 14.848 -2.704 1.00 0.00 O ATOM 698 CB SER A 43 -5.109 13.835 -3.070 1.00 0.00 C ATOM 699 OG SER A 43 -6.314 13.763 -3.814 1.00 0.00 O ATOM 0 H SER A 43 -4.733 12.322 -4.944 1.00 0.00 H new ATOM 0 HA SER A 43 -3.926 14.989 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.991 12.932 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.154 14.674 -2.376 1.00 0.00 H new ATOM 0 HG SER A 43 -7.071 13.657 -3.201 1.00 0.00 H new ATOM 705 N LEU A 44 -2.105 12.644 -3.118 1.00 0.00 N ATOM 706 CA LEU A 44 -0.885 12.381 -2.374 1.00 0.00 C ATOM 707 C LEU A 44 0.256 12.047 -3.321 1.00 0.00 C ATOM 708 O LEU A 44 1.306 11.560 -2.906 1.00 0.00 O ATOM 709 CB LEU A 44 -1.102 11.261 -1.349 1.00 0.00 C ATOM 710 CG LEU A 44 -1.636 9.937 -1.898 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.499 9.051 -2.380 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.462 9.229 -0.836 1.00 0.00 C ATOM 0 H LEU A 44 -2.522 11.820 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.614 13.284 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.154 11.067 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.796 11.622 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.277 10.149 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.905 8.116 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.050 9.562 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.174 8.839 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.838 8.287 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.840 9.030 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.301 9.861 -0.546 1.00 0.00 H new ATOM 724 N LYS A 45 0.060 12.342 -4.597 1.00 0.00 N ATOM 725 CA LYS A 45 1.113 12.098 -5.579 1.00 0.00 C ATOM 726 C LYS A 45 2.017 13.333 -5.648 1.00 0.00 C ATOM 727 O LYS A 45 2.961 13.405 -6.433 1.00 0.00 O ATOM 728 CB LYS A 45 0.576 11.626 -6.968 1.00 0.00 C ATOM 729 CG LYS A 45 1.662 11.442 -8.019 1.00 0.00 C ATOM 730 CD LYS A 45 1.109 10.891 -9.315 1.00 0.00 C ATOM 731 CE LYS A 45 0.588 12.013 -10.186 1.00 0.00 C ATOM 732 NZ LYS A 45 1.694 12.781 -10.824 1.00 0.00 N ATOM 0 H LYS A 45 -0.799 12.743 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 45 1.713 11.250 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.045 10.683 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.149 12.354 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.148 12.399 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.427 10.767 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.887 10.342 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.307 10.184 -9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.061 11.601 -10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.022 12.687 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.317 13.337 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.121 13.421 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.417 12.121 -11.176 1.00 0.00 H new ATOM 746 N ASN A 46 1.735 14.308 -4.775 1.00 0.00 N ATOM 747 CA ASN A 46 2.564 15.493 -4.663 1.00 0.00 C ATOM 748 C ASN A 46 3.653 15.229 -3.631 1.00 0.00 C ATOM 749 O ASN A 46 4.602 16.003 -3.484 1.00 0.00 O ATOM 750 CB ASN A 46 1.716 16.700 -4.251 1.00 0.00 C ATOM 751 CG ASN A 46 0.627 17.020 -5.259 1.00 0.00 C ATOM 752 OD1 ASN A 46 0.799 16.821 -6.462 1.00 0.00 O ATOM 753 ND2 ASN A 46 -0.508 17.497 -4.777 1.00 0.00 N ATOM 0 H ASN A 46 0.937 14.291 -4.140 1.00 0.00 H new ATOM 0 HA ASN A 46 3.019 15.717 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.261 16.505 -3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.362 17.570 -4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.279 17.714 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.612 17.648 -3.774 1.00 0.00 H new ATOM 760 N SER A 47 3.496 14.120 -2.911 1.00 0.00 N ATOM 761 CA SER A 47 4.477 13.683 -1.934 1.00 0.00 C ATOM 762 C SER A 47 5.721 13.168 -2.647 1.00 0.00 C ATOM 763 O SER A 47 5.616 12.528 -3.698 1.00 0.00 O ATOM 764 CB SER A 47 3.881 12.573 -1.060 1.00 0.00 C ATOM 765 OG SER A 47 2.645 12.980 -0.499 1.00 0.00 O ATOM 0 H SER A 47 2.687 13.505 -2.992 1.00 0.00 H new ATOM 0 HA SER A 47 4.752 14.527 -1.301 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.735 11.673 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.580 12.317 -0.264 1.00 0.00 H new ATOM 0 HG SER A 47 1.910 12.682 -1.075 1.00 0.00 H new ATOM 771 N ASN A 48 6.892 13.456 -2.087 1.00 0.00 N ATOM 772 CA ASN A 48 8.144 12.981 -2.665 1.00 0.00 C ATOM 773 C ASN A 48 8.133 11.460 -2.674 1.00 0.00 C ATOM 774 O ASN A 48 7.855 10.837 -1.652 1.00 0.00 O ATOM 775 CB ASN A 48 9.353 13.471 -1.860 1.00 0.00 C ATOM 776 CG ASN A 48 9.389 14.974 -1.677 1.00 0.00 C ATOM 777 OD1 ASN A 48 8.886 15.735 -2.507 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.990 15.412 -0.585 1.00 0.00 N ATOM 0 H ASN A 48 7.000 14.012 -1.239 1.00 0.00 H new ATOM 0 HA ASN A 48 8.229 13.373 -3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.344 12.994 -0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.267 13.152 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.051 16.414 -0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.393 14.748 0.076 1.00 0.00 H new ATOM 785 N PRO A 49 8.428 10.842 -3.829 1.00 0.00 N ATOM 786 CA PRO A 49 8.317 9.390 -3.998 1.00 0.00 C ATOM 787 C PRO A 49 9.215 8.603 -3.049 1.00 0.00 C ATOM 788 O PRO A 49 8.971 7.424 -2.805 1.00 0.00 O ATOM 789 CB PRO A 49 8.731 9.145 -5.450 1.00 0.00 C ATOM 790 CG PRO A 49 9.469 10.373 -5.864 1.00 0.00 C ATOM 791 CD PRO A 49 8.888 11.504 -5.062 1.00 0.00 C ATOM 0 HA PRO A 49 7.307 9.050 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.362 8.260 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.860 8.977 -6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.537 10.268 -5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.354 10.554 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.632 12.273 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.067 11.990 -5.588 1.00 0.00 H new ATOM 799 N ASP A 50 10.236 9.249 -2.503 1.00 0.00 N ATOM 800 CA ASP A 50 11.132 8.587 -1.562 1.00 0.00 C ATOM 801 C ASP A 50 10.520 8.580 -0.158 1.00 0.00 C ATOM 802 O ASP A 50 10.667 7.610 0.589 1.00 0.00 O ATOM 803 CB ASP A 50 12.513 9.262 -1.541 1.00 0.00 C ATOM 804 CG ASP A 50 13.109 9.427 -2.923 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.488 8.414 -3.539 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.202 10.579 -3.403 1.00 0.00 O ATOM 0 H ASP A 50 10.465 10.225 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 50 11.266 7.557 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.426 10.241 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.192 8.671 -0.926 1.00 0.00 H new ATOM 811 N GLU A 51 9.780 9.637 0.162 1.00 0.00 N ATOM 812 CA GLU A 51 9.168 9.814 1.477 1.00 0.00 C ATOM 813 C GLU A 51 7.688 10.128 1.299 1.00 0.00 C ATOM 814 O GLU A 51 7.261 11.271 1.484 1.00 0.00 O ATOM 815 CB GLU A 51 9.844 10.965 2.238 1.00 0.00 C ATOM 816 CG GLU A 51 11.071 10.542 3.023 1.00 0.00 C ATOM 817 CD GLU A 51 11.664 11.674 3.829 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.152 11.951 4.931 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.644 12.297 3.360 1.00 0.00 O ATOM 0 H GLU A 51 9.586 10.400 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 51 9.292 8.896 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.129 11.741 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.122 11.409 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.805 9.724 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.824 10.158 2.334 1.00 0.00 H new ATOM 826 N ILE A 52 6.904 9.128 0.919 1.00 0.00 N ATOM 827 CA ILE A 52 5.542 9.383 0.497 1.00 0.00 C ATOM 828 C ILE A 52 4.592 9.452 1.682 1.00 0.00 C ATOM 829 O ILE A 52 4.780 8.768 2.689 1.00 0.00 O ATOM 830 CB ILE A 52 5.051 8.335 -0.522 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.592 7.071 0.164 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.158 7.989 -1.493 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.689 6.242 -0.713 1.00 0.00 C ATOM 0 H ILE A 52 7.186 8.148 0.896 1.00 0.00 H new ATOM 0 HA ILE A 52 5.546 10.356 0.005 1.00 0.00 H new ATOM 0 HB ILE A 52 4.208 8.772 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.461 6.479 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.066 7.329 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.798 7.248 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.467 8.887 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.008 7.582 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.385 5.343 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.805 6.823 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.223 5.959 -1.620 1.00 0.00 H new ATOM 845 N GLU A 53 3.580 10.288 1.545 1.00 0.00 N ATOM 846 CA GLU A 53 2.622 10.528 2.598 1.00 0.00 C ATOM 847 C GLU A 53 1.293 9.867 2.223 1.00 0.00 C ATOM 848 O GLU A 53 0.611 10.321 1.306 1.00 0.00 O ATOM 849 CB GLU A 53 2.435 12.041 2.735 1.00 0.00 C ATOM 850 CG GLU A 53 2.358 12.568 4.158 1.00 0.00 C ATOM 851 CD GLU A 53 1.423 11.786 5.051 1.00 0.00 C ATOM 852 OE1 GLU A 53 0.206 11.780 4.785 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.909 11.204 6.042 1.00 0.00 O ATOM 0 H GLU A 53 3.402 10.821 0.694 1.00 0.00 H new ATOM 0 HA GLU A 53 2.971 10.111 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.261 12.538 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.522 12.325 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.357 12.555 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.035 13.609 4.133 1.00 0.00 H new ATOM 860 N ILE A 54 0.928 8.795 2.908 1.00 0.00 N ATOM 861 CA ILE A 54 -0.313 8.086 2.594 1.00 0.00 C ATOM 862 C ILE A 54 -1.389 8.392 3.625 1.00 0.00 C ATOM 863 O ILE A 54 -1.109 8.437 4.820 1.00 0.00 O ATOM 864 CB ILE A 54 -0.106 6.562 2.535 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.884 6.192 1.439 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.427 5.854 2.290 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.225 4.724 1.424 1.00 0.00 C ATOM 0 H ILE A 54 1.464 8.396 3.679 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.630 8.436 1.612 1.00 0.00 H new ATOM 0 HB ILE A 54 0.298 6.242 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.468 6.473 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.798 6.770 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.261 4.777 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.120 6.086 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.850 6.190 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.934 4.523 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.669 4.444 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.318 4.141 1.261 1.00 0.00 H new ATOM 879 N ASP A 55 -2.620 8.582 3.162 1.00 0.00 N ATOM 880 CA ASP A 55 -3.723 8.858 4.067 1.00 0.00 C ATOM 881 C ASP A 55 -4.774 7.771 3.928 1.00 0.00 C ATOM 882 O ASP A 55 -5.685 7.873 3.106 1.00 0.00 O ATOM 883 CB ASP A 55 -4.331 10.232 3.784 1.00 0.00 C ATOM 884 CG ASP A 55 -5.305 10.664 4.860 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.429 10.131 4.896 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.948 11.540 5.676 1.00 0.00 O ATOM 0 H ASP A 55 -2.875 8.550 2.175 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.347 8.866 5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.533 10.970 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.843 10.209 2.822 1.00 0.00 H new ATOM 891 N PHE A 56 -4.646 6.730 4.742 1.00 0.00 N ATOM 892 CA PHE A 56 -5.438 5.518 4.576 1.00 0.00 C ATOM 893 C PHE A 56 -6.939 5.750 4.731 1.00 0.00 C ATOM 894 O PHE A 56 -7.742 4.911 4.333 1.00 0.00 O ATOM 895 CB PHE A 56 -4.956 4.435 5.537 1.00 0.00 C ATOM 896 CG PHE A 56 -4.121 3.399 4.846 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.761 3.576 4.657 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.712 2.255 4.352 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.014 2.622 3.988 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.976 1.303 3.691 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.626 1.482 3.505 1.00 0.00 C ATOM 0 H PHE A 56 -3.997 6.702 5.528 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.288 5.185 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.375 4.893 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.817 3.955 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.279 4.466 5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.773 2.105 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.954 2.769 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.458 0.412 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.046 0.735 2.984 1.00 0.00 H new ATOM 911 N GLU A 57 -7.319 6.895 5.273 1.00 0.00 N ATOM 912 CA GLU A 57 -8.725 7.210 5.462 1.00 0.00 C ATOM 913 C GLU A 57 -9.328 7.889 4.237 1.00 0.00 C ATOM 914 O GLU A 57 -10.538 8.095 4.168 1.00 0.00 O ATOM 915 CB GLU A 57 -8.896 8.078 6.705 1.00 0.00 C ATOM 916 CG GLU A 57 -8.729 7.297 7.995 1.00 0.00 C ATOM 917 CD GLU A 57 -9.907 6.385 8.268 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.990 5.307 7.650 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.771 6.750 9.094 1.00 0.00 O ATOM 0 H GLU A 57 -6.675 7.620 5.589 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.265 6.274 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.168 8.889 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.885 8.537 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.816 6.703 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.610 7.992 8.826 1.00 0.00 H new ATOM 926 N THR A 58 -8.494 8.221 3.263 1.00 0.00 N ATOM 927 CA THR A 58 -8.968 8.916 2.074 1.00 0.00 C ATOM 928 C THR A 58 -8.700 8.126 0.797 1.00 0.00 C ATOM 929 O THR A 58 -9.161 8.508 -0.283 1.00 0.00 O ATOM 930 CB THR A 58 -8.326 10.306 1.959 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.902 10.189 1.996 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.782 11.189 3.101 1.00 0.00 C ATOM 0 H THR A 58 -7.493 8.023 3.271 1.00 0.00 H new ATOM 0 HA THR A 58 -10.047 9.021 2.186 1.00 0.00 H new ATOM 0 HB THR A 58 -8.632 10.753 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.655 9.278 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.320 12.172 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.867 11.294 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.488 10.738 4.049 1.00 0.00 H new ATOM 940 N LEU A 59 -7.950 7.034 0.909 1.00 0.00 N ATOM 941 CA LEU A 59 -7.700 6.173 -0.251 1.00 0.00 C ATOM 942 C LEU A 59 -9.019 5.552 -0.700 1.00 0.00 C ATOM 943 O LEU A 59 -9.889 5.259 0.128 1.00 0.00 O ATOM 944 CB LEU A 59 -6.708 5.044 0.066 1.00 0.00 C ATOM 945 CG LEU A 59 -5.560 5.399 1.011 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.606 4.220 1.158 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.821 6.646 0.543 1.00 0.00 C ATOM 0 H LEU A 59 -7.509 6.724 1.775 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.266 6.792 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.263 4.212 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.282 4.689 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.985 5.620 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.795 4.490 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.146 3.364 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.194 3.961 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.011 6.871 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.409 6.473 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.513 7.487 0.508 1.00 0.00 H new ATOM 959 N LYS A 60 -9.178 5.375 -2.000 1.00 0.00 N ATOM 960 CA LYS A 60 -10.350 4.705 -2.544 1.00 0.00 C ATOM 961 C LYS A 60 -10.382 3.246 -2.082 1.00 0.00 C ATOM 962 O LYS A 60 -9.334 2.636 -1.855 1.00 0.00 O ATOM 963 CB LYS A 60 -10.318 4.771 -4.074 1.00 0.00 C ATOM 964 CG LYS A 60 -10.243 6.185 -4.629 1.00 0.00 C ATOM 965 CD LYS A 60 -10.147 6.189 -6.142 1.00 0.00 C ATOM 966 CE LYS A 60 -9.934 7.599 -6.668 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.698 8.219 -6.115 1.00 0.00 N ATOM 0 H LYS A 60 -8.508 5.687 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.248 5.207 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.460 4.204 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.210 4.284 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.125 6.745 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.377 6.696 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.323 5.550 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.058 5.771 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.872 7.575 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.795 8.216 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.563 9.160 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.788 8.313 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.879 7.618 -6.338 1.00 0.00 H new ATOM 981 N PRO A 61 -11.590 2.672 -1.929 1.00 0.00 N ATOM 982 CA PRO A 61 -11.756 1.274 -1.514 1.00 0.00 C ATOM 983 C PRO A 61 -11.054 0.317 -2.467 1.00 0.00 C ATOM 984 O PRO A 61 -10.536 -0.725 -2.061 1.00 0.00 O ATOM 985 CB PRO A 61 -13.271 1.047 -1.565 1.00 0.00 C ATOM 986 CG PRO A 61 -13.892 2.404 -1.557 1.00 0.00 C ATOM 987 CD PRO A 61 -12.881 3.346 -2.153 1.00 0.00 C ATOM 0 HA PRO A 61 -11.324 1.091 -0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.553 0.495 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.606 0.460 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.815 2.410 -2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.150 2.705 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.066 3.511 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.911 4.322 -1.669 1.00 0.00 H new ATOM 995 N SER A 62 -11.033 0.693 -3.735 1.00 0.00 N ATOM 996 CA SER A 62 -10.369 -0.086 -4.759 1.00 0.00 C ATOM 997 C SER A 62 -8.857 -0.016 -4.587 1.00 0.00 C ATOM 998 O SER A 62 -8.149 -0.999 -4.816 1.00 0.00 O ATOM 999 CB SER A 62 -10.787 0.425 -6.134 1.00 0.00 C ATOM 1000 OG SER A 62 -10.817 1.846 -6.154 1.00 0.00 O ATOM 0 H SER A 62 -11.475 1.545 -4.080 1.00 0.00 H new ATOM 0 HA SER A 62 -10.665 -1.131 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.091 0.060 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.771 0.032 -6.390 1.00 0.00 H new ATOM 0 HG SER A 62 -11.085 2.155 -7.044 1.00 0.00 H new ATOM 1006 N THR A 63 -8.370 1.144 -4.164 1.00 0.00 N ATOM 1007 CA THR A 63 -6.956 1.324 -3.885 1.00 0.00 C ATOM 1008 C THR A 63 -6.530 0.381 -2.767 1.00 0.00 C ATOM 1009 O THR A 63 -5.569 -0.364 -2.916 1.00 0.00 O ATOM 1010 CB THR A 63 -6.634 2.789 -3.500 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.347 3.671 -4.376 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.144 3.069 -3.619 1.00 0.00 C ATOM 0 H THR A 63 -8.939 1.976 -4.007 1.00 0.00 H new ATOM 0 HA THR A 63 -6.398 1.091 -4.792 1.00 0.00 H new ATOM 0 HB THR A 63 -6.937 2.950 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.451 4.545 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.945 4.105 -3.343 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.594 2.404 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.823 2.899 -4.647 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.292 0.378 -1.679 1.00 0.00 N ATOM 1021 CA LEU A 64 -7.003 -0.478 -0.528 1.00 0.00 C ATOM 1022 C LEU A 64 -6.952 -1.953 -0.917 1.00 0.00 C ATOM 1023 O LEU A 64 -6.092 -2.697 -0.454 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.053 -0.260 0.567 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.007 1.109 1.248 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.186 1.297 2.190 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.711 1.268 2.009 1.00 0.00 C ATOM 0 H LEU A 64 -8.121 0.962 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.019 -0.201 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.043 -0.399 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.928 -1.031 1.327 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.067 1.872 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.125 2.279 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.117 1.221 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.163 0.526 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.689 2.246 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.637 0.489 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.871 1.184 1.319 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.851 -2.366 -1.791 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.924 -3.763 -2.195 1.00 0.00 C ATOM 1041 C ARG A 65 -6.865 -4.086 -3.238 1.00 0.00 C ATOM 1042 O ARG A 65 -6.544 -5.248 -3.459 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.324 -4.105 -2.712 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.236 -4.736 -1.660 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.663 -6.024 -1.087 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.551 -6.604 -0.080 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.120 -7.259 0.993 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.823 -7.487 1.149 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.984 -7.710 1.892 1.00 0.00 N ATOM 0 H ARG A 65 -8.540 -1.759 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.726 -4.379 -1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.794 -3.196 -3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.232 -4.789 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.399 -4.024 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.210 -4.942 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.505 -6.742 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.688 -5.824 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.558 -6.500 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.160 -7.160 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.489 -7.989 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.984 -7.555 1.761 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.649 -8.212 2.714 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.312 -3.060 -3.867 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.212 -3.247 -4.785 1.00 0.00 C ATOM 1065 C GLU A 66 -3.917 -3.345 -3.989 1.00 0.00 C ATOM 1066 O GLU A 66 -3.027 -4.137 -4.305 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.171 -2.085 -5.782 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.001 -2.114 -6.753 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.133 -3.203 -7.801 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.036 -4.397 -7.453 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.354 -2.868 -8.984 1.00 0.00 O ATOM 0 H GLU A 66 -6.611 -2.091 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.341 -4.169 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.099 -2.084 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.139 -1.149 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.922 -1.147 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.076 -2.263 -6.196 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.856 -2.571 -2.911 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.695 -2.535 -2.052 1.00 0.00 C ATOM 1080 C LEU A 67 -2.598 -3.842 -1.287 1.00 0.00 C ATOM 1081 O LEU A 67 -1.578 -4.530 -1.340 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.808 -1.358 -1.076 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.042 0.003 -1.727 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.149 1.087 -0.666 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.938 0.322 -2.712 1.00 0.00 C ATOM 0 H LEU A 67 -4.613 -1.955 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.797 -2.404 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.626 -1.558 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.894 -1.308 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.983 -0.034 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.316 2.051 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.983 0.864 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.225 1.124 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.124 1.296 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.980 0.341 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.913 -0.441 -3.490 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.691 -4.202 -0.612 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.704 -5.406 0.207 1.00 0.00 C ATOM 1099 C GLU A 68 -3.527 -6.644 -0.650 1.00 0.00 C ATOM 1100 O GLU A 68 -2.717 -7.509 -0.326 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.985 -5.558 1.033 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.956 -6.827 1.894 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.172 -7.012 2.778 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.537 -6.079 3.519 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.765 -8.112 2.741 1.00 0.00 O ATOM 0 H GLU A 68 -4.568 -3.681 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.868 -5.301 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.110 -4.686 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.847 -5.590 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.863 -7.693 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.065 -6.805 2.522 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.276 -6.737 -1.748 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.165 -7.913 -2.611 1.00 0.00 C ATOM 1114 C ARG A 69 -2.734 -8.113 -3.073 1.00 0.00 C ATOM 1115 O ARG A 69 -2.242 -9.239 -3.160 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.068 -7.810 -3.832 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.958 -9.008 -4.757 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.902 -8.854 -5.928 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.642 -7.618 -6.667 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.461 -7.105 -7.584 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -7.543 -7.775 -7.964 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.188 -5.924 -8.130 1.00 0.00 N ATOM 0 H ARG A 69 -4.948 -6.034 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.482 -8.768 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.102 -7.706 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.817 -6.906 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.934 -9.105 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.192 -9.921 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.796 -9.708 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.931 -8.855 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.777 -7.116 -6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.749 -8.686 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.168 -7.379 -8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.352 -5.412 -7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.814 -5.530 -8.832 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.058 -7.014 -3.329 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.716 -7.077 -3.864 1.00 0.00 C ATOM 1138 C TYR A 70 0.271 -7.495 -2.785 1.00 0.00 C ATOM 1139 O TYR A 70 1.162 -8.307 -3.022 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.311 -5.732 -4.460 1.00 0.00 C ATOM 1141 CG TYR A 70 1.162 -5.638 -4.737 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.724 -6.228 -5.860 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.991 -4.972 -3.856 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.081 -6.151 -6.097 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.347 -4.889 -4.080 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.889 -5.482 -5.204 1.00 0.00 C ATOM 1147 OH TYR A 70 5.243 -5.407 -5.435 1.00 0.00 O ATOM 0 H TYR A 70 -2.414 -6.070 -3.176 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.700 -7.825 -4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.861 -5.570 -5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.599 -4.935 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.090 -6.755 -6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.569 -4.509 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.507 -6.612 -6.976 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.982 -4.364 -3.382 1.00 0.00 H new ATOM 0 HH TYR A 70 5.666 -4.874 -4.730 1.00 0.00 H new ATOM 1157 N VAL A 71 0.113 -6.949 -1.598 1.00 0.00 N ATOM 1158 CA VAL A 71 1.021 -7.265 -0.518 1.00 0.00 C ATOM 1159 C VAL A 71 0.777 -8.669 0.009 1.00 0.00 C ATOM 1160 O VAL A 71 1.721 -9.425 0.195 1.00 0.00 O ATOM 1161 CB VAL A 71 0.926 -6.253 0.628 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.293 -4.868 0.139 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.453 -6.251 1.248 1.00 0.00 C ATOM 0 H VAL A 71 -0.628 -6.291 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 71 2.029 -7.212 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 71 1.635 -6.551 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.221 -4.160 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.313 -4.876 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.609 -4.570 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.487 -5.522 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.192 -5.987 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.676 -7.242 1.643 1.00 0.00 H new ATOM 1173 N THR A 72 -0.485 -9.029 0.216 1.00 0.00 N ATOM 1174 CA THR A 72 -0.824 -10.354 0.707 1.00 0.00 C ATOM 1175 C THR A 72 -0.353 -11.421 -0.286 1.00 0.00 C ATOM 1176 O THR A 72 -0.018 -12.542 0.100 1.00 0.00 O ATOM 1177 CB THR A 72 -2.342 -10.491 0.995 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.601 -11.654 1.789 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.145 -10.574 -0.286 1.00 0.00 C ATOM 0 H THR A 72 -1.287 -8.421 0.051 1.00 0.00 H new ATOM 0 HA THR A 72 -0.306 -10.504 1.654 1.00 0.00 H new ATOM 0 HB THR A 72 -2.648 -9.599 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.532 -11.640 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.204 -10.669 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.986 -9.670 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.824 -11.442 -0.861 1.00 0.00 H new ATOM 1187 N SER A 73 -0.298 -11.054 -1.568 1.00 0.00 N ATOM 1188 CA SER A 73 0.241 -11.943 -2.590 1.00 0.00 C ATOM 1189 C SER A 73 1.745 -12.154 -2.381 1.00 0.00 C ATOM 1190 O SER A 73 2.301 -13.183 -2.756 1.00 0.00 O ATOM 1191 CB SER A 73 -0.028 -11.373 -3.990 1.00 0.00 C ATOM 1192 OG SER A 73 0.987 -10.470 -4.397 1.00 0.00 O ATOM 0 H SER A 73 -0.619 -10.152 -1.918 1.00 0.00 H new ATOM 0 HA SER A 73 -0.258 -12.908 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.096 -12.190 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.991 -10.863 -3.995 1.00 0.00 H new ATOM 0 HG SER A 73 0.785 -9.575 -4.054 1.00 0.00 H new ATOM 1198 N CYS A 74 2.394 -11.163 -1.780 1.00 0.00 N ATOM 1199 CA CYS A 74 3.830 -11.213 -1.533 1.00 0.00 C ATOM 1200 C CYS A 74 4.144 -11.834 -0.168 1.00 0.00 C ATOM 1201 O CYS A 74 4.956 -12.749 -0.074 1.00 0.00 O ATOM 1202 CB CYS A 74 4.430 -9.808 -1.626 1.00 0.00 C ATOM 1203 SG CYS A 74 6.216 -9.742 -1.349 1.00 0.00 S ATOM 0 H CYS A 74 1.944 -10.308 -1.452 1.00 0.00 H new ATOM 0 HA CYS A 74 4.279 -11.846 -2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.211 -9.397 -2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.937 -9.166 -0.896 1.00 0.00 H new ATOM 0 HG CYS A 74 6.663 -8.566 -1.677 1.00 0.00 H new ATOM 1209 N LEU A 75 3.508 -11.314 0.885 1.00 0.00 N ATOM 1210 CA LEU A 75 3.706 -11.804 2.253 1.00 0.00 C ATOM 1211 C LEU A 75 3.484 -13.312 2.348 1.00 0.00 C ATOM 1212 O LEU A 75 4.182 -14.009 3.085 1.00 0.00 O ATOM 1213 CB LEU A 75 2.734 -11.107 3.209 1.00 0.00 C ATOM 1214 CG LEU A 75 2.484 -9.636 2.933 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.302 -9.152 3.739 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.722 -8.829 3.259 1.00 0.00 C ATOM 0 H LEU A 75 2.843 -10.544 0.815 1.00 0.00 H new ATOM 0 HA LEU A 75 4.736 -11.581 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.779 -11.632 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.117 -11.208 4.225 1.00 0.00 H new ATOM 0 HG LEU A 75 2.257 -9.505 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.130 -8.095 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.416 -9.724 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.506 -9.287 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.533 -7.775 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.974 -8.958 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.553 -9.172 2.643 1.00 0.00 H new ATOM 1228 N ARG A 76 2.504 -13.807 1.602 1.00 0.00 N ATOM 1229 CA ARG A 76 2.124 -15.213 1.669 1.00 0.00 C ATOM 1230 C ARG A 76 2.856 -16.044 0.621 1.00 0.00 C ATOM 1231 O ARG A 76 2.597 -17.236 0.466 1.00 0.00 O ATOM 1232 CB ARG A 76 0.615 -15.342 1.505 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.151 -14.815 2.704 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.566 -14.424 2.336 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.335 -15.540 1.799 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.457 -15.390 1.094 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.938 -14.173 0.859 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -4.095 -16.454 0.627 1.00 0.00 N ATOM 0 H ARG A 76 1.957 -13.254 0.942 1.00 0.00 H new ATOM 0 HA ARG A 76 2.414 -15.601 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.303 -14.800 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.359 -16.390 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.175 -15.576 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.369 -13.951 3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.071 -14.031 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.537 -13.620 1.600 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.997 -16.487 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.449 -13.353 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.796 -14.059 0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.728 -17.388 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.953 -16.338 0.088 1.00 0.00 H new ATOM 1443 N LEU B 204 0.753 6.368 6.330 1.00 0.00 N ATOM 1444 CA LEU B 204 1.895 5.507 6.065 1.00 0.00 C ATOM 1445 C LEU B 204 3.005 6.290 5.377 1.00 0.00 C ATOM 1446 O LEU B 204 2.874 6.682 4.216 1.00 0.00 O ATOM 1447 CB LEU B 204 1.495 4.314 5.186 1.00 0.00 C ATOM 1448 CG LEU B 204 2.165 2.971 5.532 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.843 1.926 4.476 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.673 3.114 5.679 1.00 0.00 C ATOM 0 HA LEU B 204 2.255 5.133 7.023 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.414 4.186 5.250 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.727 4.557 4.149 1.00 0.00 H new ATOM 0 HG LEU B 204 1.764 2.646 6.492 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.325 0.984 4.737 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.764 1.780 4.426 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.209 2.264 3.506 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.108 2.145 5.923 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.097 3.477 4.743 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.895 3.823 6.477 1.00 0.00 H new ATOM 1462 N LYS B 205 4.086 6.526 6.098 1.00 0.00 N ATOM 1463 CA LYS B 205 5.275 7.110 5.506 1.00 0.00 C ATOM 1464 C LYS B 205 6.174 6.020 4.957 1.00 0.00 C ATOM 1465 O LYS B 205 7.130 5.606 5.617 1.00 0.00 O ATOM 1466 CB LYS B 205 6.062 7.929 6.531 1.00 0.00 C ATOM 1467 CG LYS B 205 5.581 9.357 6.702 1.00 0.00 C ATOM 1468 CD LYS B 205 5.619 10.120 5.388 1.00 0.00 C ATOM 1469 CE LYS B 205 5.616 11.622 5.607 1.00 0.00 C ATOM 1470 NZ LYS B 205 4.527 12.052 6.530 1.00 0.00 N ATOM 0 H LYS B 205 4.165 6.322 7.094 1.00 0.00 H new ATOM 0 HA LYS B 205 4.951 7.769 4.701 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.011 7.424 7.496 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.111 7.946 6.235 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.564 9.355 7.093 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.204 9.866 7.437 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.511 9.836 4.829 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.759 9.840 4.780 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.579 11.930 6.014 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.499 12.127 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 4.350 13.069 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.659 11.521 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.811 11.866 7.513 1.00 0.00 H new ATOM 1484 N ILE B 206 5.875 5.523 3.766 1.00 0.00 N ATOM 1485 CA ILE B 206 6.757 4.542 3.171 1.00 0.00 C ATOM 1486 C ILE B 206 8.002 5.241 2.655 1.00 0.00 C ATOM 1487 O ILE B 206 7.933 6.055 1.728 1.00 0.00 O ATOM 1488 CB ILE B 206 6.158 3.743 1.998 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.664 3.494 2.118 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.843 2.406 1.957 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.085 2.838 0.877 1.00 0.00 C ATOM 0 H ILE B 206 5.057 5.774 3.212 1.00 0.00 H new ATOM 0 HA ILE B 206 6.963 3.827 3.968 1.00 0.00 H new ATOM 0 HB ILE B 206 6.312 4.336 1.096 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.472 2.860 2.984 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.154 4.440 2.297 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.439 1.815 1.135 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.913 2.550 1.809 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.674 1.882 2.897 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.015 2.682 1.014 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.250 3.483 0.014 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.574 1.878 0.711 1.00 0.00 H new ATOM 1503 N THR B 207 9.133 4.928 3.250 1.00 0.00 N ATOM 1504 CA THR B 207 10.387 5.546 2.868 1.00 0.00 C ATOM 1505 C THR B 207 11.256 4.540 2.116 1.00 0.00 C ATOM 1506 O THR B 207 11.699 3.547 2.693 1.00 0.00 O ATOM 1507 CB THR B 207 11.120 6.061 4.120 1.00 0.00 C ATOM 1508 OG1 THR B 207 10.159 6.532 5.078 1.00 0.00 O ATOM 1509 CG2 THR B 207 12.066 7.196 3.768 1.00 0.00 C ATOM 0 H THR B 207 9.211 4.246 4.004 1.00 0.00 H new ATOM 0 HA THR B 207 10.185 6.391 2.210 1.00 0.00 H new ATOM 0 HB THR B 207 11.700 5.239 4.540 1.00 0.00 H new ATOM 0 HG1 THR B 207 10.625 6.858 5.876 1.00 0.00 H new ATOM 0 HG21 THR B 207 12.571 7.542 4.670 1.00 0.00 H new ATOM 0 HG22 THR B 207 12.806 6.843 3.050 1.00 0.00 H new ATOM 0 HG23 THR B 207 11.500 8.019 3.331 1.00 0.00 H new ATOM 1517 N LYS B 208 11.480 4.788 0.823 1.00 0.00 N ATOM 1518 CA LYS B 208 12.203 3.837 -0.027 1.00 0.00 C ATOM 1519 C LYS B 208 12.466 4.421 -1.421 1.00 0.00 C ATOM 1520 O LYS B 208 12.482 5.638 -1.587 1.00 0.00 O ATOM 1521 CB LYS B 208 11.442 2.492 -0.128 1.00 0.00 C ATOM 1522 CG LYS B 208 10.197 2.479 -1.024 1.00 0.00 C ATOM 1523 CD LYS B 208 9.122 3.451 -0.571 1.00 0.00 C ATOM 1524 CE LYS B 208 9.205 4.745 -1.357 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.238 5.755 -0.880 1.00 0.00 N ATOM 0 H LYS B 208 11.173 5.634 0.343 1.00 0.00 H new ATOM 0 HA LYS B 208 13.169 3.646 0.441 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.135 1.734 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.143 2.192 0.876 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.490 2.722 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.782 1.471 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.138 3.001 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.236 3.658 0.493 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.215 5.149 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS B 208 9.021 4.539 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.422 6.663 -1.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.271 5.441 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.339 5.874 0.148 1.00 0.00 H new