USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 636 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 68 CYS SG : rot -116:sc= 1.67 USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0.402 USER MOD Set 2.1: A 17 MET CE :methyl 137:sc= -4.21! (180deg=-5.45!) USER MOD Set 2.2: A 49 SER OG : rot -52:sc= 0.781 USER MOD Set 2.3: A 64 HIS : no HE2:sc= -5.53! C(o=-9!,f=-16!) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 170:sc= -0.722 (180deg=-0.837) USER MOD Set 3.2: A 53 LYS NZ :NH3+ -136:sc= -0.0433 (180deg=-0.443) USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 GLN : amide:sc= -2.19 K(o=-5.8,f=-1.8) USER MOD Set 4.3: A 24 GLN : amide:sc= -3.64! C(o=-5.8!,f=-1.8!) USER MOD Set 5.1: A 13 TYR OH : rot 150:sc= -1.05 USER MOD Set 5.2: A 15 LYS NZ :NH3+ -171:sc= -0.427 (180deg=-0.433!) USER MOD Single : A 14 SER OG : rot -160:sc= -0.269 USER MOD Single : A 16 HIS : no HD1:sc= -0.0298 X(o=-0.03,f=-0.37) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.26) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.229) USER MOD Single : A 40 SER OG : rot 110:sc= 0.224 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 54 SER OG : rot 60:sc= 0.0825 USER MOD Single : A 55 THR OG1 : rot 64:sc= 1.03 USER MOD Single : A 59 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 169:sc= -0.973 USER MOD Single : A 70 THR OG1 : rot 180:sc= -3.28! USER MOD Single : A 72 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.87! C(o=-5.9!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.72 X(o=-2.7,f=-3.1) USER MOD Single : A 84 SER OG : rot -39:sc= 0.263 USER MOD Single : A 85 THR OG1 : rot -61:sc= -0.41! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -2.940 3.105 -11.937 1.00 0.00 N ATOM 151 CA GLU A 11 -3.462 4.006 -10.867 1.00 0.00 C ATOM 152 C GLU A 11 -2.794 3.695 -9.527 1.00 0.00 C ATOM 153 O GLU A 11 -2.396 4.584 -8.802 1.00 0.00 O ATOM 154 CB GLU A 11 -4.957 3.697 -10.769 1.00 0.00 C ATOM 155 CG GLU A 11 -5.713 4.946 -10.326 1.00 0.00 C ATOM 156 CD GLU A 11 -5.890 5.891 -11.517 1.00 0.00 C ATOM 157 OE1 GLU A 11 -4.960 6.007 -12.298 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.951 6.481 -11.627 1.00 0.00 O ATOM 0 HA GLU A 11 -3.264 5.052 -11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.332 3.357 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.125 2.888 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.686 4.669 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.167 5.449 -9.528 1.00 0.00 H new ATOM 165 N TRP A 12 -2.692 2.438 -9.188 1.00 0.00 N ATOM 166 CA TRP A 12 -2.084 2.046 -7.880 1.00 0.00 C ATOM 167 C TRP A 12 -0.774 2.788 -7.623 1.00 0.00 C ATOM 168 O TRP A 12 -0.358 2.941 -6.494 1.00 0.00 O ATOM 169 CB TRP A 12 -1.829 0.543 -7.973 1.00 0.00 C ATOM 170 CG TRP A 12 -0.992 0.240 -9.176 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.475 -0.102 -10.392 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.460 0.244 -9.298 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.412 -0.307 -11.253 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.801 -0.106 -10.626 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.503 0.515 -8.394 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.131 -0.185 -11.042 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.842 0.437 -8.811 1.00 0.00 C ATOM 178 CH2 TRP A 12 3.155 0.087 -10.132 1.00 0.00 C ATOM 0 H TRP A 12 -3.006 1.658 -9.765 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.749 2.300 -7.054 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.325 0.195 -7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.777 0.008 -8.035 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.520 -0.199 -10.649 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.512 -0.574 -12.232 1.00 0.00 H new ATOM 0 HE3 TRP A 12 1.273 0.785 -7.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.367 -0.455 -12.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.636 0.648 -8.109 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.187 0.028 -10.446 1.00 0.00 H new ATOM 189 N TYR A 13 -0.118 3.247 -8.648 1.00 0.00 N ATOM 190 CA TYR A 13 1.171 3.969 -8.426 1.00 0.00 C ATOM 191 C TYR A 13 0.911 5.437 -8.081 1.00 0.00 C ATOM 192 O TYR A 13 0.094 6.095 -8.695 1.00 0.00 O ATOM 193 CB TYR A 13 1.936 3.859 -9.743 1.00 0.00 C ATOM 194 CG TYR A 13 3.376 4.235 -9.499 1.00 0.00 C ATOM 195 CD1 TYR A 13 4.140 3.508 -8.580 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.943 5.316 -10.183 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.474 3.859 -8.345 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.278 5.668 -9.949 1.00 0.00 C ATOM 199 CZ TYR A 13 6.043 4.939 -9.030 1.00 0.00 C ATOM 200 OH TYR A 13 7.358 5.285 -8.799 1.00 0.00 O ATOM 0 H TYR A 13 -0.410 3.158 -9.621 1.00 0.00 H new ATOM 0 HA TYR A 13 1.733 3.542 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.872 2.843 -10.134 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.495 4.517 -10.492 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.700 2.675 -8.052 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.352 5.878 -10.891 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.064 3.297 -7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.717 6.501 -10.477 1.00 0.00 H new ATOM 0 HH TYR A 13 7.740 5.678 -9.611 1.00 0.00 H new ATOM 210 N SER A 14 1.604 5.954 -7.098 1.00 0.00 N ATOM 211 CA SER A 14 1.402 7.379 -6.706 1.00 0.00 C ATOM 212 C SER A 14 2.716 7.993 -6.220 1.00 0.00 C ATOM 213 O SER A 14 3.420 7.420 -5.411 1.00 0.00 O ATOM 214 CB SER A 14 0.390 7.341 -5.566 1.00 0.00 C ATOM 215 OG SER A 14 -0.677 6.467 -5.911 1.00 0.00 O ATOM 0 H SER A 14 2.301 5.449 -6.551 1.00 0.00 H new ATOM 0 HA SER A 14 1.056 7.984 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.871 7.001 -4.649 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.006 8.343 -5.372 1.00 0.00 H new ATOM 0 HG SER A 14 -1.459 6.672 -5.358 1.00 0.00 H new ATOM 221 N LYS A 15 3.045 9.155 -6.708 1.00 0.00 N ATOM 222 CA LYS A 15 4.306 9.821 -6.282 1.00 0.00 C ATOM 223 C LYS A 15 4.097 10.590 -4.975 1.00 0.00 C ATOM 224 O LYS A 15 3.390 11.577 -4.927 1.00 0.00 O ATOM 225 CB LYS A 15 4.655 10.778 -7.426 1.00 0.00 C ATOM 226 CG LYS A 15 5.885 10.262 -8.182 1.00 0.00 C ATOM 227 CD LYS A 15 5.700 8.780 -8.533 1.00 0.00 C ATOM 228 CE LYS A 15 6.625 7.923 -7.659 1.00 0.00 C ATOM 229 NZ LYS A 15 5.741 6.901 -7.025 1.00 0.00 N ATOM 0 H LYS A 15 2.491 9.675 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 15 5.104 9.103 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.809 10.867 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.852 11.774 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.034 10.844 -9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.778 10.391 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.662 8.486 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.924 8.615 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.404 7.451 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.126 8.530 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.276 6.380 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.927 7.373 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.403 6.236 -7.750 1.00 0.00 H new ATOM 243 N HIS A 16 4.715 10.136 -3.917 1.00 0.00 N ATOM 244 CA HIS A 16 4.582 10.819 -2.596 1.00 0.00 C ATOM 245 C HIS A 16 3.115 10.900 -2.170 1.00 0.00 C ATOM 246 O HIS A 16 2.632 11.945 -1.779 1.00 0.00 O ATOM 247 CB HIS A 16 5.166 12.221 -2.797 1.00 0.00 C ATOM 248 CG HIS A 16 6.667 12.149 -2.742 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.414 11.528 -3.730 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.574 12.616 -1.823 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.710 11.636 -3.387 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.864 12.291 -2.233 1.00 0.00 N ATOM 0 H HIS A 16 5.314 9.310 -3.912 1.00 0.00 H new ATOM 0 HA HIS A 16 5.103 10.274 -1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.845 12.626 -3.757 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.795 12.896 -2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.325 13.153 -0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.527 11.241 -3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.739 12.507 -1.755 1.00 0.00 H new ATOM 260 N MET A 17 2.408 9.804 -2.231 1.00 0.00 N ATOM 261 CA MET A 17 0.976 9.822 -1.812 1.00 0.00 C ATOM 262 C MET A 17 0.884 9.750 -0.285 1.00 0.00 C ATOM 263 O MET A 17 1.699 9.123 0.364 1.00 0.00 O ATOM 264 CB MET A 17 0.359 8.577 -2.446 1.00 0.00 C ATOM 265 CG MET A 17 -1.136 8.522 -2.119 1.00 0.00 C ATOM 266 SD MET A 17 -1.614 6.819 -1.733 1.00 0.00 S ATOM 267 CE MET A 17 -0.606 6.633 -0.242 1.00 0.00 C ATOM 0 H MET A 17 2.757 8.901 -2.551 1.00 0.00 H new ATOM 0 HA MET A 17 0.461 10.730 -2.125 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.505 8.596 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.856 7.682 -2.073 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.357 9.173 -1.273 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.717 8.890 -2.965 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.188 6.130 0.530 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.279 6.040 -0.473 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.301 7.616 0.116 1.00 0.00 H new ATOM 277 N THR A 18 -0.092 10.396 0.293 1.00 0.00 N ATOM 278 CA THR A 18 -0.225 10.377 1.779 1.00 0.00 C ATOM 279 C THR A 18 -1.011 9.147 2.241 1.00 0.00 C ATOM 280 O THR A 18 -2.060 8.831 1.715 1.00 0.00 O ATOM 281 CB THR A 18 -0.988 11.658 2.125 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.517 12.724 1.313 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.768 12.001 3.600 1.00 0.00 C ATOM 0 H THR A 18 -0.803 10.936 -0.199 1.00 0.00 H new ATOM 0 HA THR A 18 0.746 10.328 2.272 1.00 0.00 H new ATOM 0 HB THR A 18 -2.052 11.507 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.007 13.544 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.311 12.913 3.846 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.131 11.183 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.296 12.151 3.784 1.00 0.00 H new ATOM 291 N ARG A 19 -0.507 8.457 3.232 1.00 0.00 N ATOM 292 CA ARG A 19 -1.213 7.246 3.755 1.00 0.00 C ATOM 293 C ARG A 19 -2.676 7.574 4.066 1.00 0.00 C ATOM 294 O ARG A 19 -3.579 6.801 3.805 1.00 0.00 O ATOM 295 CB ARG A 19 -0.469 6.894 5.051 1.00 0.00 C ATOM 296 CG ARG A 19 -0.698 7.996 6.101 1.00 0.00 C ATOM 297 CD ARG A 19 0.252 7.784 7.282 1.00 0.00 C ATOM 298 NE ARG A 19 0.741 9.147 7.631 1.00 0.00 N ATOM 299 CZ ARG A 19 1.905 9.296 8.200 1.00 0.00 C ATOM 300 NH1 ARG A 19 2.989 8.920 7.577 1.00 0.00 N ATOM 301 NH2 ARG A 19 1.988 9.822 9.391 1.00 0.00 N ATOM 0 H ARG A 19 0.369 8.681 3.705 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.214 6.427 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.820 5.936 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.597 6.786 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.529 8.977 5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.732 7.976 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.262 7.321 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.077 7.125 7.012 1.00 0.00 H new ATOM 0 HE ARG A 19 0.166 9.964 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.925 8.510 6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.899 9.037 8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.142 10.117 9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.899 9.938 9.835 1.00 0.00 H new ATOM 315 N SER A 20 -2.899 8.720 4.635 1.00 0.00 N ATOM 316 CA SER A 20 -4.275 9.133 4.998 1.00 0.00 C ATOM 317 C SER A 20 -5.094 9.372 3.731 1.00 0.00 C ATOM 318 O SER A 20 -6.258 9.029 3.662 1.00 0.00 O ATOM 319 CB SER A 20 -4.066 10.412 5.811 1.00 0.00 C ATOM 320 OG SER A 20 -4.925 11.440 5.332 1.00 0.00 O ATOM 0 H SER A 20 -2.174 9.398 4.867 1.00 0.00 H new ATOM 0 HA SER A 20 -4.829 8.386 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.268 10.220 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.027 10.733 5.739 1.00 0.00 H new ATOM 0 HG SER A 20 -4.786 12.254 5.859 1.00 0.00 H new ATOM 326 N GLN A 21 -4.491 9.935 2.718 1.00 0.00 N ATOM 327 CA GLN A 21 -5.232 10.164 1.449 1.00 0.00 C ATOM 328 C GLN A 21 -5.631 8.817 0.855 1.00 0.00 C ATOM 329 O GLN A 21 -6.720 8.649 0.344 1.00 0.00 O ATOM 330 CB GLN A 21 -4.253 10.896 0.535 1.00 0.00 C ATOM 331 CG GLN A 21 -4.156 12.359 0.966 1.00 0.00 C ATOM 332 CD GLN A 21 -5.202 13.184 0.215 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.017 13.515 -0.939 1.00 0.00 O ATOM 334 NE2 GLN A 21 -6.301 13.531 0.826 1.00 0.00 N ATOM 0 H GLN A 21 -3.519 10.245 2.717 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.145 10.743 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.271 10.425 0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.587 10.832 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.315 12.443 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.157 12.744 0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.455 13.253 1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.006 14.081 0.335 1.00 0.00 H new ATOM 343 N ALA A 22 -4.757 7.847 0.932 1.00 0.00 N ATOM 344 CA ALA A 22 -5.092 6.505 0.388 1.00 0.00 C ATOM 345 C ALA A 22 -6.271 5.929 1.161 1.00 0.00 C ATOM 346 O ALA A 22 -7.220 5.446 0.586 1.00 0.00 O ATOM 347 CB ALA A 22 -3.843 5.646 0.600 1.00 0.00 C ATOM 0 H ALA A 22 -3.829 7.929 1.348 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.370 6.543 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.024 4.641 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.002 6.090 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.613 5.595 1.664 1.00 0.00 H new ATOM 353 N GLU A 23 -6.217 5.983 2.463 1.00 0.00 N ATOM 354 CA GLU A 23 -7.340 5.441 3.279 1.00 0.00 C ATOM 355 C GLU A 23 -8.654 6.136 2.918 1.00 0.00 C ATOM 356 O GLU A 23 -9.659 5.489 2.691 1.00 0.00 O ATOM 357 CB GLU A 23 -6.959 5.734 4.729 1.00 0.00 C ATOM 358 CG GLU A 23 -5.929 4.708 5.197 1.00 0.00 C ATOM 359 CD GLU A 23 -5.112 5.292 6.352 1.00 0.00 C ATOM 360 OE1 GLU A 23 -4.376 6.233 6.114 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.237 4.785 7.455 1.00 0.00 O ATOM 0 H GLU A 23 -5.444 6.379 2.997 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.492 4.376 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.551 6.741 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.844 5.694 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.430 3.795 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.270 4.437 4.372 1.00 0.00 H new ATOM 368 N GLN A 24 -8.667 7.442 2.873 1.00 0.00 N ATOM 369 CA GLN A 24 -9.933 8.149 2.536 1.00 0.00 C ATOM 370 C GLN A 24 -10.318 7.898 1.081 1.00 0.00 C ATOM 371 O GLN A 24 -11.459 7.596 0.789 1.00 0.00 O ATOM 372 CB GLN A 24 -9.682 9.638 2.798 1.00 0.00 C ATOM 373 CG GLN A 24 -8.570 10.168 1.892 1.00 0.00 C ATOM 374 CD GLN A 24 -8.304 11.638 2.225 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.680 11.943 3.221 1.00 0.00 O ATOM 376 NE2 GLN A 24 -8.758 12.567 1.429 1.00 0.00 N ATOM 0 H GLN A 24 -7.863 8.043 3.053 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.763 7.787 3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.598 10.202 2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.409 9.787 3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.662 9.582 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.858 10.067 0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.282 12.310 0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.589 13.550 1.643 1.00 0.00 H new ATOM 385 N LEU A 25 -9.396 8.002 0.158 1.00 0.00 N ATOM 386 CA LEU A 25 -9.782 7.741 -1.251 1.00 0.00 C ATOM 387 C LEU A 25 -10.075 6.249 -1.415 1.00 0.00 C ATOM 388 O LEU A 25 -10.856 5.853 -2.256 1.00 0.00 O ATOM 389 CB LEU A 25 -8.614 8.218 -2.127 1.00 0.00 C ATOM 390 CG LEU A 25 -7.408 7.285 -1.993 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.577 6.085 -2.930 1.00 0.00 C ATOM 392 CD2 LEU A 25 -6.137 8.053 -2.377 1.00 0.00 C ATOM 0 H LEU A 25 -8.419 8.250 0.317 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.685 8.274 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.931 8.261 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.329 9.230 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.333 6.931 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.717 5.423 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.485 5.542 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.650 6.435 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.273 7.395 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.219 8.401 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.015 8.909 -1.713 1.00 0.00 H new ATOM 404 N LEU A 26 -9.492 5.419 -0.585 1.00 0.00 N ATOM 405 CA LEU A 26 -9.788 3.962 -0.669 1.00 0.00 C ATOM 406 C LEU A 26 -11.200 3.739 -0.129 1.00 0.00 C ATOM 407 O LEU A 26 -12.085 3.292 -0.832 1.00 0.00 O ATOM 408 CB LEU A 26 -8.762 3.269 0.231 1.00 0.00 C ATOM 409 CG LEU A 26 -7.564 2.792 -0.602 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.457 2.287 0.331 1.00 0.00 C ATOM 411 CD2 LEU A 26 -8.000 1.652 -1.528 1.00 0.00 C ATOM 0 H LEU A 26 -8.829 5.689 0.141 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.732 3.575 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.424 3.956 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.224 2.421 0.736 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.190 3.624 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.607 1.949 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.140 3.095 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.835 1.458 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.147 1.316 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.378 0.822 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.786 2.006 -2.195 1.00 0.00 H new ATOM 423 N LYS A 27 -11.419 4.078 1.120 1.00 0.00 N ATOM 424 CA LYS A 27 -12.776 3.922 1.718 1.00 0.00 C ATOM 425 C LYS A 27 -13.822 4.597 0.826 1.00 0.00 C ATOM 426 O LYS A 27 -14.895 4.072 0.598 1.00 0.00 O ATOM 427 CB LYS A 27 -12.687 4.639 3.065 1.00 0.00 C ATOM 428 CG LYS A 27 -13.516 3.885 4.105 1.00 0.00 C ATOM 429 CD LYS A 27 -14.908 4.510 4.192 1.00 0.00 C ATOM 430 CE LYS A 27 -15.931 3.428 4.539 1.00 0.00 C ATOM 431 NZ LYS A 27 -16.128 2.664 3.275 1.00 0.00 N ATOM 0 H LYS A 27 -10.712 4.457 1.750 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.070 2.878 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.648 4.699 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.050 5.662 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.594 2.833 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.025 3.926 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.920 5.293 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.167 4.980 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.567 2.782 5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.867 3.866 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.682 1.806 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.637 3.256 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.203 2.396 2.883 1.00 0.00 H new ATOM 445 N GLN A 28 -13.512 5.763 0.327 1.00 0.00 N ATOM 446 CA GLN A 28 -14.481 6.491 -0.546 1.00 0.00 C ATOM 447 C GLN A 28 -14.698 5.748 -1.875 1.00 0.00 C ATOM 448 O GLN A 28 -15.813 5.632 -2.346 1.00 0.00 O ATOM 449 CB GLN A 28 -13.846 7.859 -0.790 1.00 0.00 C ATOM 450 CG GLN A 28 -14.872 8.788 -1.440 1.00 0.00 C ATOM 451 CD GLN A 28 -16.012 9.059 -0.456 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.858 9.827 0.473 1.00 0.00 O ATOM 453 NE2 GLN A 28 -17.158 8.458 -0.621 1.00 0.00 N ATOM 0 H GLN A 28 -12.627 6.245 0.486 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.463 6.571 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.500 8.284 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.973 7.757 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.397 9.725 -1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.264 8.334 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.288 7.813 -1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.924 8.633 0.030 1.00 0.00 H new ATOM 462 N GLU A 29 -13.652 5.238 -2.482 1.00 0.00 N ATOM 463 CA GLU A 29 -13.834 4.501 -3.773 1.00 0.00 C ATOM 464 C GLU A 29 -14.783 3.325 -3.540 1.00 0.00 C ATOM 465 O GLU A 29 -15.627 3.019 -4.360 1.00 0.00 O ATOM 466 CB GLU A 29 -12.436 4.017 -4.181 1.00 0.00 C ATOM 467 CG GLU A 29 -12.370 3.845 -5.704 1.00 0.00 C ATOM 468 CD GLU A 29 -11.774 5.104 -6.337 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.931 5.721 -5.706 1.00 0.00 O ATOM 470 OE2 GLU A 29 -12.172 5.431 -7.442 1.00 0.00 O ATOM 0 H GLU A 29 -12.691 5.299 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.266 5.122 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.683 4.734 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.211 3.071 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.762 2.976 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.368 3.662 -6.103 1.00 0.00 H new ATOM 477 N GLY A 30 -14.674 2.694 -2.402 1.00 0.00 N ATOM 478 CA GLY A 30 -15.590 1.573 -2.076 1.00 0.00 C ATOM 479 C GLY A 30 -15.155 0.272 -2.763 1.00 0.00 C ATOM 480 O GLY A 30 -15.913 -0.677 -2.834 1.00 0.00 O ATOM 0 H GLY A 30 -13.984 2.911 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.615 1.425 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.603 1.828 -2.386 1.00 0.00 H new ATOM 484 N LYS A 31 -13.951 0.208 -3.262 1.00 0.00 N ATOM 485 CA LYS A 31 -13.487 -1.047 -3.933 1.00 0.00 C ATOM 486 C LYS A 31 -12.915 -2.022 -2.901 1.00 0.00 C ATOM 487 O LYS A 31 -11.933 -1.732 -2.247 1.00 0.00 O ATOM 488 CB LYS A 31 -12.389 -0.602 -4.899 1.00 0.00 C ATOM 489 CG LYS A 31 -12.895 0.542 -5.792 1.00 0.00 C ATOM 490 CD LYS A 31 -14.279 0.207 -6.366 1.00 0.00 C ATOM 491 CE LYS A 31 -14.182 -1.027 -7.266 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.427 -1.799 -6.996 1.00 0.00 N ATOM 0 H LYS A 31 -13.268 0.965 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.302 -1.560 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.513 -0.275 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.076 -1.444 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.948 1.465 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.190 0.715 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.984 0.023 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.662 1.054 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.112 -0.745 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.294 -1.616 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.663 -2.379 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.280 -2.417 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.208 -1.141 -6.800 1.00 0.00 H new ATOM 506 N GLU A 32 -13.509 -3.177 -2.750 1.00 0.00 N ATOM 507 CA GLU A 32 -12.968 -4.149 -1.755 1.00 0.00 C ATOM 508 C GLU A 32 -11.632 -4.706 -2.233 1.00 0.00 C ATOM 509 O GLU A 32 -11.574 -5.593 -3.062 1.00 0.00 O ATOM 510 CB GLU A 32 -13.994 -5.273 -1.617 1.00 0.00 C ATOM 511 CG GLU A 32 -14.392 -5.802 -3.000 1.00 0.00 C ATOM 512 CD GLU A 32 -14.352 -7.332 -2.995 1.00 0.00 C ATOM 513 OE1 GLU A 32 -14.894 -7.916 -2.072 1.00 0.00 O ATOM 514 OE2 GLU A 32 -13.780 -7.892 -3.915 1.00 0.00 O ATOM 0 H GLU A 32 -14.334 -3.486 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.798 -3.663 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.579 -6.082 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.876 -4.907 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.392 -5.455 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.713 -5.413 -3.759 1.00 0.00 H new ATOM 521 N GLY A 33 -10.557 -4.190 -1.709 1.00 0.00 N ATOM 522 CA GLY A 33 -9.221 -4.677 -2.114 1.00 0.00 C ATOM 523 C GLY A 33 -8.502 -3.616 -2.949 1.00 0.00 C ATOM 524 O GLY A 33 -7.597 -3.925 -3.694 1.00 0.00 O ATOM 0 H GLY A 33 -10.552 -3.445 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.630 -4.916 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.321 -5.597 -2.690 1.00 0.00 H new ATOM 528 N GLY A 34 -8.876 -2.363 -2.832 1.00 0.00 N ATOM 529 CA GLY A 34 -8.178 -1.311 -3.629 1.00 0.00 C ATOM 530 C GLY A 34 -6.681 -1.412 -3.357 1.00 0.00 C ATOM 531 O GLY A 34 -6.272 -1.781 -2.275 1.00 0.00 O ATOM 0 H GLY A 34 -9.625 -2.029 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.380 -1.445 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.547 -0.322 -3.356 1.00 0.00 H new ATOM 535 N PHE A 35 -5.862 -1.130 -4.333 1.00 0.00 N ATOM 536 CA PHE A 35 -4.390 -1.256 -4.116 1.00 0.00 C ATOM 537 C PHE A 35 -3.627 -0.025 -4.623 1.00 0.00 C ATOM 538 O PHE A 35 -3.706 0.335 -5.782 1.00 0.00 O ATOM 539 CB PHE A 35 -4.009 -2.492 -4.928 1.00 0.00 C ATOM 540 CG PHE A 35 -2.561 -2.841 -4.700 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.559 -2.116 -5.350 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.223 -3.906 -3.859 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.215 -2.455 -5.160 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.879 -4.244 -3.664 1.00 0.00 C ATOM 545 CZ PHE A 35 0.126 -3.519 -4.316 1.00 0.00 C ATOM 0 H PHE A 35 -6.143 -0.821 -5.263 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.139 -1.337 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.642 -3.332 -4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.183 -2.307 -5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.822 -1.294 -5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.999 -4.468 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.559 -1.896 -5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.617 -5.063 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.163 -3.780 -4.168 1.00 0.00 H new ATOM 555 N ILE A 36 -2.862 0.603 -3.763 1.00 0.00 N ATOM 556 CA ILE A 36 -2.062 1.791 -4.190 1.00 0.00 C ATOM 557 C ILE A 36 -0.618 1.631 -3.703 1.00 0.00 C ATOM 558 O ILE A 36 -0.336 0.816 -2.851 1.00 0.00 O ATOM 559 CB ILE A 36 -2.696 3.007 -3.504 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.186 3.103 -3.852 1.00 0.00 C ATOM 561 CG2 ILE A 36 -1.977 4.276 -3.974 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.783 4.364 -3.211 1.00 0.00 C ATOM 0 H ILE A 36 -2.758 0.343 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.055 1.901 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.598 2.899 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.316 3.136 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.711 2.217 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.422 5.146 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.921 4.215 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.076 4.371 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.842 4.432 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.666 4.312 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.265 5.245 -3.590 1.00 0.00 H new ATOM 574 N VAL A 37 0.293 2.414 -4.223 1.00 0.00 N ATOM 575 CA VAL A 37 1.715 2.317 -3.775 1.00 0.00 C ATOM 576 C VAL A 37 2.420 3.663 -3.967 1.00 0.00 C ATOM 577 O VAL A 37 2.079 4.433 -4.843 1.00 0.00 O ATOM 578 CB VAL A 37 2.367 1.254 -4.664 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.838 1.097 -4.267 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.653 -0.085 -4.482 1.00 0.00 C ATOM 0 H VAL A 37 0.113 3.117 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 37 1.784 2.055 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 37 2.294 1.563 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.306 0.341 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.354 2.048 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.902 0.790 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.122 -0.837 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.723 -0.396 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.604 0.021 -4.759 1.00 0.00 H new ATOM 590 N ARG A 38 3.409 3.945 -3.160 1.00 0.00 N ATOM 591 CA ARG A 38 4.145 5.237 -3.304 1.00 0.00 C ATOM 592 C ARG A 38 5.571 5.097 -2.764 1.00 0.00 C ATOM 593 O ARG A 38 5.872 4.196 -2.006 1.00 0.00 O ATOM 594 CB ARG A 38 3.347 6.254 -2.481 1.00 0.00 C ATOM 595 CG ARG A 38 3.282 5.808 -1.016 1.00 0.00 C ATOM 596 CD ARG A 38 4.504 6.342 -0.264 1.00 0.00 C ATOM 597 NE ARG A 38 4.048 6.506 1.143 1.00 0.00 N ATOM 598 CZ ARG A 38 4.639 7.368 1.924 1.00 0.00 C ATOM 599 NH1 ARG A 38 4.822 8.596 1.522 1.00 0.00 N ATOM 600 NH2 ARG A 38 5.047 7.003 3.109 1.00 0.00 N ATOM 0 H ARG A 38 3.739 3.339 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 38 4.232 5.546 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.814 7.237 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.339 6.351 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.367 6.177 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.253 4.720 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.342 5.648 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.842 7.290 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 38 3.273 5.945 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.503 8.883 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.284 9.269 2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.904 6.044 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.509 7.677 3.719 1.00 0.00 H new ATOM 614 N ASP A 39 6.451 5.980 -3.156 1.00 0.00 N ATOM 615 CA ASP A 39 7.864 5.898 -2.676 1.00 0.00 C ATOM 616 C ASP A 39 7.979 6.432 -1.244 1.00 0.00 C ATOM 617 O ASP A 39 7.091 7.093 -0.743 1.00 0.00 O ATOM 618 CB ASP A 39 8.659 6.779 -3.640 1.00 0.00 C ATOM 619 CG ASP A 39 10.156 6.597 -3.381 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.560 5.475 -3.125 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.872 7.582 -3.443 1.00 0.00 O ATOM 0 H ASP A 39 6.253 6.756 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 39 8.231 4.872 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.423 6.514 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.381 7.825 -3.508 1.00 0.00 H new ATOM 626 N SER A 40 9.071 6.147 -0.584 1.00 0.00 N ATOM 627 CA SER A 40 9.255 6.633 0.816 1.00 0.00 C ATOM 628 C SER A 40 10.334 7.724 0.861 1.00 0.00 C ATOM 629 O SER A 40 10.467 8.509 -0.058 1.00 0.00 O ATOM 630 CB SER A 40 9.694 5.398 1.603 1.00 0.00 C ATOM 631 OG SER A 40 9.580 5.663 2.995 1.00 0.00 O ATOM 0 H SER A 40 9.846 5.597 -0.955 1.00 0.00 H new ATOM 0 HA SER A 40 8.348 7.075 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.076 4.542 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.723 5.140 1.353 1.00 0.00 H new ATOM 0 HG SER A 40 8.842 5.138 3.369 1.00 0.00 H new ATOM 637 N SER A 41 11.106 7.784 1.919 1.00 0.00 N ATOM 638 CA SER A 41 12.167 8.830 2.009 1.00 0.00 C ATOM 639 C SER A 41 13.373 8.303 2.792 1.00 0.00 C ATOM 640 O SER A 41 14.468 8.210 2.272 1.00 0.00 O ATOM 641 CB SER A 41 11.513 9.994 2.753 1.00 0.00 C ATOM 642 OG SER A 41 12.485 11.004 2.991 1.00 0.00 O ATOM 0 H SER A 41 11.046 7.156 2.720 1.00 0.00 H new ATOM 0 HA SER A 41 12.535 9.127 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.688 10.398 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.093 9.647 3.697 1.00 0.00 H new ATOM 0 HG SER A 41 12.069 11.753 3.467 1.00 0.00 H new ATOM 648 N LYS A 42 13.183 7.962 4.040 1.00 0.00 N ATOM 649 CA LYS A 42 14.320 7.444 4.861 1.00 0.00 C ATOM 650 C LYS A 42 15.008 6.274 4.148 1.00 0.00 C ATOM 651 O LYS A 42 16.134 6.382 3.705 1.00 0.00 O ATOM 652 CB LYS A 42 13.682 6.972 6.168 1.00 0.00 C ATOM 653 CG LYS A 42 13.431 8.176 7.077 1.00 0.00 C ATOM 654 CD LYS A 42 13.178 7.692 8.507 1.00 0.00 C ATOM 655 CE LYS A 42 14.499 7.238 9.134 1.00 0.00 C ATOM 656 NZ LYS A 42 15.066 8.462 9.764 1.00 0.00 N ATOM 0 H LYS A 42 12.289 8.020 4.527 1.00 0.00 H new ATOM 0 HA LYS A 42 15.084 8.204 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.744 6.457 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.336 6.256 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.290 8.847 7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.573 8.744 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.738 8.493 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.463 6.869 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.336 6.453 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.175 6.832 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.974 8.231 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.216 9.189 9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.404 8.822 10.481 1.00 0.00 H new ATOM 670 N ALA A 43 14.334 5.162 4.032 1.00 0.00 N ATOM 671 CA ALA A 43 14.942 3.985 3.343 1.00 0.00 C ATOM 672 C ALA A 43 14.737 4.092 1.837 1.00 0.00 C ATOM 673 O ALA A 43 15.359 3.388 1.065 1.00 0.00 O ATOM 674 CB ALA A 43 14.177 2.772 3.872 1.00 0.00 C ATOM 0 H ALA A 43 13.388 5.017 4.384 1.00 0.00 H new ATOM 0 HA ALA A 43 16.014 3.918 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.568 1.865 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.297 2.709 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.119 2.875 3.630 1.00 0.00 H new ATOM 680 N GLY A 44 13.841 4.937 1.412 1.00 0.00 N ATOM 681 CA GLY A 44 13.568 5.048 -0.042 1.00 0.00 C ATOM 682 C GLY A 44 12.808 3.793 -0.460 1.00 0.00 C ATOM 683 O GLY A 44 12.896 3.339 -1.585 1.00 0.00 O ATOM 0 H GLY A 44 13.289 5.553 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.981 5.941 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.499 5.137 -0.602 1.00 0.00 H new ATOM 687 N LYS A 45 12.066 3.222 0.457 1.00 0.00 N ATOM 688 CA LYS A 45 11.301 1.987 0.141 1.00 0.00 C ATOM 689 C LYS A 45 9.918 2.355 -0.399 1.00 0.00 C ATOM 690 O LYS A 45 9.616 3.514 -0.610 1.00 0.00 O ATOM 691 CB LYS A 45 11.182 1.238 1.472 1.00 0.00 C ATOM 692 CG LYS A 45 10.341 2.054 2.460 1.00 0.00 C ATOM 693 CD LYS A 45 10.935 1.923 3.863 1.00 0.00 C ATOM 694 CE LYS A 45 10.785 3.250 4.610 1.00 0.00 C ATOM 695 NZ LYS A 45 11.213 2.952 6.006 1.00 0.00 N ATOM 0 H LYS A 45 11.960 3.563 1.412 1.00 0.00 H new ATOM 0 HA LYS A 45 11.789 1.378 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.723 0.263 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.174 1.059 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.320 3.101 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.310 1.700 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.430 1.127 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.988 1.647 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.405 4.027 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.756 3.607 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.139 3.814 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.601 2.213 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.199 2.621 6.004 1.00 0.00 H new ATOM 709 N TYR A 46 9.077 1.385 -0.630 1.00 0.00 N ATOM 710 CA TYR A 46 7.721 1.692 -1.164 1.00 0.00 C ATOM 711 C TYR A 46 6.646 1.371 -0.119 1.00 0.00 C ATOM 712 O TYR A 46 6.868 0.608 0.800 1.00 0.00 O ATOM 713 CB TYR A 46 7.563 0.775 -2.374 1.00 0.00 C ATOM 714 CG TYR A 46 8.506 1.196 -3.483 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.896 1.127 -3.301 1.00 0.00 C ATOM 716 CD2 TYR A 46 7.987 1.654 -4.699 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.759 1.515 -4.333 1.00 0.00 C ATOM 718 CE2 TYR A 46 8.850 2.042 -5.731 1.00 0.00 C ATOM 719 CZ TYR A 46 10.235 1.973 -5.547 1.00 0.00 C ATOM 720 OH TYR A 46 11.087 2.356 -6.563 1.00 0.00 O ATOM 0 H TYR A 46 9.270 0.396 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 46 7.611 2.746 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.768 -0.256 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.534 0.808 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.300 0.774 -2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.918 1.708 -4.842 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.828 1.461 -4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.447 2.394 -6.669 1.00 0.00 H new ATOM 0 HH TYR A 46 10.562 2.647 -7.338 1.00 0.00 H new ATOM 730 N THR A 47 5.475 1.932 -0.271 1.00 0.00 N ATOM 731 CA THR A 47 4.369 1.647 0.691 1.00 0.00 C ATOM 732 C THR A 47 3.102 1.324 -0.095 1.00 0.00 C ATOM 733 O THR A 47 2.643 2.119 -0.890 1.00 0.00 O ATOM 734 CB THR A 47 4.183 2.925 1.515 1.00 0.00 C ATOM 735 OG1 THR A 47 5.385 3.216 2.214 1.00 0.00 O ATOM 736 CG2 THR A 47 3.038 2.731 2.520 1.00 0.00 C ATOM 0 H THR A 47 5.236 2.578 -1.023 1.00 0.00 H new ATOM 0 HA THR A 47 4.589 0.799 1.339 1.00 0.00 H new ATOM 0 HB THR A 47 3.940 3.753 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.268 4.034 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.909 3.642 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.116 2.510 1.983 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.276 1.903 3.187 1.00 0.00 H new ATOM 744 N VAL A 48 2.544 0.161 0.104 1.00 0.00 N ATOM 745 CA VAL A 48 1.316 -0.212 -0.656 1.00 0.00 C ATOM 746 C VAL A 48 0.054 0.055 0.173 1.00 0.00 C ATOM 747 O VAL A 48 -0.137 -0.513 1.227 1.00 0.00 O ATOM 748 CB VAL A 48 1.475 -1.707 -0.937 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.212 -2.245 -1.612 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.678 -1.926 -1.859 1.00 0.00 C ATOM 0 H VAL A 48 2.883 -0.545 0.757 1.00 0.00 H new ATOM 0 HA VAL A 48 1.206 0.372 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 48 1.633 -2.235 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.331 -3.310 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.645 -2.091 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.049 -1.717 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.793 -2.991 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.519 -1.394 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.580 -1.549 -1.377 1.00 0.00 H new ATOM 760 N SER A 49 -0.811 0.908 -0.309 1.00 0.00 N ATOM 761 CA SER A 49 -2.070 1.210 0.436 1.00 0.00 C ATOM 762 C SER A 49 -3.233 0.408 -0.149 1.00 0.00 C ATOM 763 O SER A 49 -3.644 0.633 -1.271 1.00 0.00 O ATOM 764 CB SER A 49 -2.307 2.707 0.225 1.00 0.00 C ATOM 765 OG SER A 49 -2.184 3.382 1.469 1.00 0.00 O ATOM 0 H SER A 49 -0.700 1.411 -1.190 1.00 0.00 H new ATOM 0 HA SER A 49 -1.995 0.949 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.586 3.104 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.298 2.874 -0.196 1.00 0.00 H new ATOM 0 HG SER A 49 -2.763 2.953 2.133 1.00 0.00 H new ATOM 771 N VAL A 50 -3.769 -0.528 0.592 1.00 0.00 N ATOM 772 CA VAL A 50 -4.906 -1.331 0.049 1.00 0.00 C ATOM 773 C VAL A 50 -6.091 -1.325 1.022 1.00 0.00 C ATOM 774 O VAL A 50 -5.915 -1.398 2.225 1.00 0.00 O ATOM 775 CB VAL A 50 -4.357 -2.750 -0.108 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.268 -2.762 -1.182 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.766 -3.228 1.220 1.00 0.00 C ATOM 0 H VAL A 50 -3.473 -0.769 1.538 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.271 -0.924 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.168 -3.416 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.878 -3.774 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.689 -2.429 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.460 -2.091 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.377 -4.239 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.958 -2.561 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.542 -3.225 1.986 1.00 0.00 H new ATOM 787 N PHE A 51 -7.301 -1.240 0.519 1.00 0.00 N ATOM 788 CA PHE A 51 -8.478 -1.236 1.443 1.00 0.00 C ATOM 789 C PHE A 51 -9.612 -2.108 0.892 1.00 0.00 C ATOM 790 O PHE A 51 -9.568 -2.557 -0.233 1.00 0.00 O ATOM 791 CB PHE A 51 -8.921 0.233 1.521 1.00 0.00 C ATOM 792 CG PHE A 51 -10.363 0.368 1.070 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.672 0.340 -0.294 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.387 0.504 2.015 1.00 0.00 C ATOM 795 CE1 PHE A 51 -12.001 0.447 -0.713 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.717 0.612 1.594 1.00 0.00 C ATOM 797 CZ PHE A 51 -13.023 0.582 0.231 1.00 0.00 C ATOM 0 H PHE A 51 -7.521 -1.174 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.223 -1.642 2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.816 0.599 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.277 0.849 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.883 0.236 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.150 0.526 3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.238 0.425 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.507 0.719 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.050 0.663 -0.093 1.00 0.00 H new ATOM 807 N ALA A 52 -10.644 -2.309 1.675 1.00 0.00 N ATOM 808 CA ALA A 52 -11.806 -3.113 1.195 1.00 0.00 C ATOM 809 C ALA A 52 -13.037 -2.876 2.076 1.00 0.00 C ATOM 810 O ALA A 52 -13.035 -2.041 2.953 1.00 0.00 O ATOM 811 CB ALA A 52 -11.378 -4.575 1.273 1.00 0.00 C ATOM 0 H ALA A 52 -10.730 -1.950 2.626 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.080 -2.829 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.194 -5.212 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.505 -4.733 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.128 -4.826 2.304 1.00 0.00 H new ATOM 817 N LYS A 53 -14.090 -3.608 1.831 1.00 0.00 N ATOM 818 CA LYS A 53 -15.337 -3.443 2.633 1.00 0.00 C ATOM 819 C LYS A 53 -15.742 -4.782 3.268 1.00 0.00 C ATOM 820 O LYS A 53 -16.907 -5.126 3.307 1.00 0.00 O ATOM 821 CB LYS A 53 -16.382 -3.016 1.607 1.00 0.00 C ATOM 822 CG LYS A 53 -16.294 -1.507 1.382 1.00 0.00 C ATOM 823 CD LYS A 53 -16.972 -0.785 2.545 1.00 0.00 C ATOM 824 CE LYS A 53 -18.434 -0.507 2.197 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.394 0.633 1.240 1.00 0.00 N ATOM 0 H LYS A 53 -14.140 -4.320 1.102 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.222 -2.726 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.220 -3.544 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.379 -3.284 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.251 -1.199 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.775 -1.239 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.912 -1.393 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.454 0.151 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.906 -1.382 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.010 -0.255 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.129 1.324 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.460 1.089 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.565 0.283 0.276 1.00 0.00 H new ATOM 839 N SER A 54 -14.795 -5.544 3.759 1.00 0.00 N ATOM 840 CA SER A 54 -15.148 -6.862 4.379 1.00 0.00 C ATOM 841 C SER A 54 -13.933 -7.472 5.090 1.00 0.00 C ATOM 842 O SER A 54 -13.271 -8.342 4.560 1.00 0.00 O ATOM 843 CB SER A 54 -15.580 -7.747 3.211 1.00 0.00 C ATOM 844 OG SER A 54 -14.667 -7.583 2.135 1.00 0.00 O ATOM 0 H SER A 54 -13.801 -5.314 3.758 1.00 0.00 H new ATOM 0 HA SER A 54 -15.931 -6.760 5.130 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.609 -8.791 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.588 -7.481 2.892 1.00 0.00 H new ATOM 0 HG SER A 54 -13.767 -7.839 2.428 1.00 0.00 H new ATOM 850 N THR A 55 -13.651 -7.025 6.291 1.00 0.00 N ATOM 851 CA THR A 55 -12.486 -7.559 7.079 1.00 0.00 C ATOM 852 C THR A 55 -12.226 -6.614 8.255 1.00 0.00 C ATOM 853 O THR A 55 -11.656 -5.554 8.088 1.00 0.00 O ATOM 854 CB THR A 55 -11.289 -7.589 6.112 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.183 -8.884 5.538 1.00 0.00 O ATOM 856 CG2 THR A 55 -9.984 -7.262 6.846 1.00 0.00 C ATOM 0 H THR A 55 -14.186 -6.300 6.769 1.00 0.00 H new ATOM 0 HA THR A 55 -12.667 -8.556 7.481 1.00 0.00 H new ATOM 0 HB THR A 55 -11.453 -6.841 5.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.979 -9.068 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.153 -7.290 6.141 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.053 -6.267 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.816 -7.996 7.634 1.00 0.00 H new ATOM 864 N GLY A 56 -12.664 -6.966 9.436 1.00 0.00 N ATOM 865 CA GLY A 56 -12.468 -6.055 10.596 1.00 0.00 C ATOM 866 C GLY A 56 -13.424 -4.876 10.422 1.00 0.00 C ATOM 867 O GLY A 56 -14.313 -4.654 11.220 1.00 0.00 O ATOM 0 H GLY A 56 -13.146 -7.841 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.670 -6.577 11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.436 -5.708 10.641 1.00 0.00 H new ATOM 871 N ASP A 57 -13.262 -4.141 9.353 1.00 0.00 N ATOM 872 CA ASP A 57 -14.164 -3.000 9.066 1.00 0.00 C ATOM 873 C ASP A 57 -15.027 -3.360 7.846 1.00 0.00 C ATOM 874 O ASP A 57 -14.746 -2.933 6.745 1.00 0.00 O ATOM 875 CB ASP A 57 -13.232 -1.841 8.732 1.00 0.00 C ATOM 876 CG ASP A 57 -13.770 -0.550 9.349 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.740 -0.027 8.828 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.201 -0.105 10.333 1.00 0.00 O ATOM 0 H ASP A 57 -12.529 -4.290 8.659 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.829 -2.754 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.231 -2.046 9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.147 -1.730 7.651 1.00 0.00 H new ATOM 883 N PRO A 58 -16.044 -4.153 8.072 1.00 0.00 N ATOM 884 CA PRO A 58 -16.937 -4.593 6.971 1.00 0.00 C ATOM 885 C PRO A 58 -17.402 -3.425 6.105 1.00 0.00 C ATOM 886 O PRO A 58 -17.814 -3.604 4.975 1.00 0.00 O ATOM 887 CB PRO A 58 -18.106 -5.218 7.729 1.00 0.00 C ATOM 888 CG PRO A 58 -17.810 -5.148 9.238 1.00 0.00 C ATOM 889 CD PRO A 58 -16.380 -4.635 9.429 1.00 0.00 C ATOM 0 HA PRO A 58 -16.449 -5.272 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.031 -4.688 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.247 -6.254 7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.520 -4.485 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.923 -6.132 9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.328 -3.837 10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.704 -5.423 9.761 1.00 0.00 H new ATOM 897 N GLN A 59 -17.353 -2.239 6.623 1.00 0.00 N ATOM 898 CA GLN A 59 -17.808 -1.067 5.823 1.00 0.00 C ATOM 899 C GLN A 59 -16.632 -0.173 5.428 1.00 0.00 C ATOM 900 O GLN A 59 -16.822 0.966 5.057 1.00 0.00 O ATOM 901 CB GLN A 59 -18.776 -0.310 6.733 1.00 0.00 C ATOM 902 CG GLN A 59 -18.136 -0.126 8.110 1.00 0.00 C ATOM 903 CD GLN A 59 -18.775 1.070 8.818 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.285 1.968 8.179 1.00 0.00 O ATOM 905 NE2 GLN A 59 -18.769 1.119 10.122 1.00 0.00 N ATOM 0 H GLN A 59 -17.020 -2.024 7.563 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.279 -1.380 4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.018 0.660 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.712 -0.860 6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.269 -1.028 8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.063 0.032 8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.341 0.365 10.659 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.193 1.912 10.605 1.00 0.00 H new ATOM 914 N GLY A 60 -15.423 -0.671 5.480 1.00 0.00 N ATOM 915 CA GLY A 60 -14.271 0.176 5.077 1.00 0.00 C ATOM 916 C GLY A 60 -12.973 -0.310 5.728 1.00 0.00 C ATOM 917 O GLY A 60 -12.616 0.117 6.808 1.00 0.00 O ATOM 0 H GLY A 60 -15.189 -1.617 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.166 0.159 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.459 1.211 5.363 1.00 0.00 H new ATOM 921 N VAL A 61 -12.254 -1.186 5.072 1.00 0.00 N ATOM 922 CA VAL A 61 -10.971 -1.685 5.651 1.00 0.00 C ATOM 923 C VAL A 61 -9.791 -1.124 4.882 1.00 0.00 C ATOM 924 O VAL A 61 -9.838 -0.971 3.686 1.00 0.00 O ATOM 925 CB VAL A 61 -10.989 -3.202 5.491 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.775 -3.799 6.203 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.270 -3.775 6.082 1.00 0.00 C ATOM 0 H VAL A 61 -12.500 -1.576 4.162 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.874 -1.382 6.694 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.950 -3.454 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.784 -4.883 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.862 -3.397 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.812 -3.543 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.273 -4.858 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.325 -3.527 7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.131 -3.351 5.565 1.00 0.00 H new ATOM 937 N ILE A 62 -8.740 -0.805 5.573 1.00 0.00 N ATOM 938 CA ILE A 62 -7.540 -0.229 4.899 1.00 0.00 C ATOM 939 C ILE A 62 -6.251 -0.696 5.583 1.00 0.00 C ATOM 940 O ILE A 62 -6.257 -1.126 6.720 1.00 0.00 O ATOM 941 CB ILE A 62 -7.694 1.289 5.044 1.00 0.00 C ATOM 942 CG1 ILE A 62 -9.161 1.617 5.375 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.277 1.968 3.733 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.386 3.120 5.396 1.00 0.00 C ATOM 0 H ILE A 62 -8.655 -0.917 6.583 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.473 -0.543 3.857 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.057 1.656 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.817 1.157 4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.424 1.192 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.385 3.048 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.237 1.726 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.912 1.613 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.430 3.328 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.745 3.573 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -9.145 3.538 4.419 1.00 0.00 H new ATOM 956 N ARG A 63 -5.144 -0.600 4.894 1.00 0.00 N ATOM 957 CA ARG A 63 -3.839 -1.023 5.488 1.00 0.00 C ATOM 958 C ARG A 63 -2.701 -0.672 4.525 1.00 0.00 C ATOM 959 O ARG A 63 -2.779 -0.942 3.342 1.00 0.00 O ATOM 960 CB ARG A 63 -3.949 -2.540 5.665 1.00 0.00 C ATOM 961 CG ARG A 63 -3.457 -2.931 7.060 1.00 0.00 C ATOM 962 CD ARG A 63 -1.926 -2.948 7.080 1.00 0.00 C ATOM 963 NE ARG A 63 -1.545 -2.098 8.242 1.00 0.00 N ATOM 964 CZ ARG A 63 -1.375 -2.639 9.417 1.00 0.00 C ATOM 965 NH1 ARG A 63 -0.416 -3.505 9.605 1.00 0.00 N ATOM 966 NH2 ARG A 63 -2.162 -2.312 10.405 1.00 0.00 N ATOM 0 H ARG A 63 -5.087 -0.245 3.940 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.629 -0.525 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.983 -2.858 5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.358 -3.049 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.832 -2.224 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.845 -3.913 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.544 -3.963 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.515 -2.553 6.151 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.417 -1.094 8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.201 -3.759 8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.283 -3.928 10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.910 -1.634 10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.030 -2.735 11.324 1.00 0.00 H new ATOM 980 N HIS A 64 -1.645 -0.069 5.013 1.00 0.00 N ATOM 981 CA HIS A 64 -0.518 0.294 4.099 1.00 0.00 C ATOM 982 C HIS A 64 0.648 -0.675 4.268 1.00 0.00 C ATOM 983 O HIS A 64 1.391 -0.603 5.228 1.00 0.00 O ATOM 984 CB HIS A 64 -0.062 1.707 4.489 1.00 0.00 C ATOM 985 CG HIS A 64 -1.226 2.528 4.975 1.00 0.00 C ATOM 986 ND1 HIS A 64 -1.862 3.452 4.166 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.867 2.582 6.187 1.00 0.00 C ATOM 988 CE1 HIS A 64 -2.838 4.021 4.893 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.886 3.528 6.133 1.00 0.00 N ATOM 0 H HIS A 64 -1.515 0.185 5.992 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.846 0.249 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.697 1.647 5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.400 2.195 3.631 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.632 3.663 3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.619 1.982 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.504 4.785 4.519 1.00 0.00 H new ATOM 997 N TYR A 65 0.840 -1.556 3.329 1.00 0.00 N ATOM 998 CA TYR A 65 1.988 -2.496 3.422 1.00 0.00 C ATOM 999 C TYR A 65 3.238 -1.760 2.970 1.00 0.00 C ATOM 1000 O TYR A 65 3.291 -1.229 1.882 1.00 0.00 O ATOM 1001 CB TYR A 65 1.682 -3.631 2.454 1.00 0.00 C ATOM 1002 CG TYR A 65 0.279 -4.165 2.675 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.317 -4.097 3.943 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.420 -4.745 1.608 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.606 -4.603 4.140 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.707 -5.255 1.808 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.301 -5.183 3.074 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.570 -5.687 3.270 1.00 0.00 O ATOM 0 H TYR A 65 0.253 -1.666 2.502 1.00 0.00 H new ATOM 0 HA TYR A 65 2.141 -2.873 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.784 -3.277 1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.407 -4.434 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.220 -3.653 4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.035 -4.798 0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.065 -4.546 5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.243 -5.705 0.985 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.910 -6.053 2.427 1.00 0.00 H new ATOM 1018 N VAL A 66 4.238 -1.708 3.789 1.00 0.00 N ATOM 1019 CA VAL A 66 5.471 -0.976 3.386 1.00 0.00 C ATOM 1020 C VAL A 66 6.633 -1.947 3.208 1.00 0.00 C ATOM 1021 O VAL A 66 6.535 -3.116 3.524 1.00 0.00 O ATOM 1022 CB VAL A 66 5.759 0.001 4.529 1.00 0.00 C ATOM 1023 CG1 VAL A 66 6.894 0.943 4.120 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.505 0.826 4.836 1.00 0.00 C ATOM 0 H VAL A 66 4.262 -2.135 4.715 1.00 0.00 H new ATOM 0 HA VAL A 66 5.342 -0.459 2.435 1.00 0.00 H new ATOM 0 HB VAL A 66 6.048 -0.562 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.100 1.639 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.790 0.361 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.601 1.501 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.716 1.519 5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.212 1.387 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.694 0.160 5.128 1.00 0.00 H new ATOM 1034 N VAL A 67 7.733 -1.470 2.700 1.00 0.00 N ATOM 1035 CA VAL A 67 8.902 -2.362 2.499 1.00 0.00 C ATOM 1036 C VAL A 67 10.088 -1.887 3.339 1.00 0.00 C ATOM 1037 O VAL A 67 10.524 -0.757 3.238 1.00 0.00 O ATOM 1038 CB VAL A 67 9.227 -2.256 1.012 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.456 -3.111 0.707 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.036 -2.758 0.191 1.00 0.00 C ATOM 0 H VAL A 67 7.871 -0.500 2.416 1.00 0.00 H new ATOM 0 HA VAL A 67 8.692 -3.388 2.802 1.00 0.00 H new ATOM 0 HB VAL A 67 9.429 -1.217 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.694 -3.040 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.302 -2.754 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.249 -4.150 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.268 -2.682 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.832 -3.798 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.158 -2.151 0.415 1.00 0.00 H new ATOM 1050 N CYS A 68 10.622 -2.751 4.152 1.00 0.00 N ATOM 1051 CA CYS A 68 11.792 -2.372 4.988 1.00 0.00 C ATOM 1052 C CYS A 68 13.075 -2.771 4.262 1.00 0.00 C ATOM 1053 O CYS A 68 13.170 -3.844 3.701 1.00 0.00 O ATOM 1054 CB CYS A 68 11.630 -3.158 6.289 1.00 0.00 C ATOM 1055 SG CYS A 68 12.964 -2.720 7.431 1.00 0.00 S ATOM 0 H CYS A 68 10.296 -3.710 4.274 1.00 0.00 H new ATOM 0 HA CYS A 68 11.847 -1.301 5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.663 -2.937 6.741 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.649 -4.228 6.084 1.00 0.00 H new ATOM 0 HG CYS A 68 13.707 -3.764 7.651 1.00 0.00 H new ATOM 1061 N SER A 69 14.054 -1.911 4.248 1.00 0.00 N ATOM 1062 CA SER A 69 15.317 -2.234 3.534 1.00 0.00 C ATOM 1063 C SER A 69 16.491 -2.362 4.505 1.00 0.00 C ATOM 1064 O SER A 69 16.600 -1.634 5.472 1.00 0.00 O ATOM 1065 CB SER A 69 15.535 -1.053 2.593 1.00 0.00 C ATOM 1066 OG SER A 69 15.922 0.086 3.351 1.00 0.00 O ATOM 0 H SER A 69 14.033 -0.997 4.701 1.00 0.00 H new ATOM 0 HA SER A 69 15.253 -3.188 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.304 -1.295 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.621 -0.842 2.038 1.00 0.00 H new ATOM 0 HG SER A 69 16.233 0.791 2.746 1.00 0.00 H new ATOM 1072 N THR A 70 17.379 -3.276 4.230 1.00 0.00 N ATOM 1073 CA THR A 70 18.573 -3.462 5.104 1.00 0.00 C ATOM 1074 C THR A 70 19.812 -2.920 4.369 1.00 0.00 C ATOM 1075 O THR A 70 19.794 -2.800 3.161 1.00 0.00 O ATOM 1076 CB THR A 70 18.661 -4.977 5.336 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.687 -5.262 6.273 1.00 0.00 O ATOM 1078 CG2 THR A 70 18.962 -5.694 4.022 1.00 0.00 C ATOM 0 H THR A 70 17.329 -3.908 3.431 1.00 0.00 H new ATOM 0 HA THR A 70 18.509 -2.931 6.054 1.00 0.00 H new ATOM 0 HB THR A 70 17.705 -5.327 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.738 -6.230 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.022 -6.768 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.167 -5.488 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.912 -5.338 3.623 1.00 0.00 H new ATOM 1086 N PRO A 71 20.842 -2.579 5.110 1.00 0.00 N ATOM 1087 CA PRO A 71 22.068 -2.014 4.489 1.00 0.00 C ATOM 1088 C PRO A 71 22.752 -2.983 3.518 1.00 0.00 C ATOM 1089 O PRO A 71 23.745 -2.642 2.904 1.00 0.00 O ATOM 1090 CB PRO A 71 22.957 -1.717 5.700 1.00 0.00 C ATOM 1091 CG PRO A 71 22.201 -2.122 6.981 1.00 0.00 C ATOM 1092 CD PRO A 71 20.845 -2.724 6.587 1.00 0.00 C ATOM 0 HA PRO A 71 21.853 -1.140 3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 71 23.894 -2.268 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.212 -0.658 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.784 -2.846 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.056 -1.254 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.761 -3.767 6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.015 -2.189 7.048 1.00 0.00 H new ATOM 1100 N GLN A 72 22.235 -4.167 3.340 1.00 0.00 N ATOM 1101 CA GLN A 72 22.871 -5.103 2.375 1.00 0.00 C ATOM 1102 C GLN A 72 22.194 -4.948 1.006 1.00 0.00 C ATOM 1103 O GLN A 72 22.190 -5.849 0.193 1.00 0.00 O ATOM 1104 CB GLN A 72 22.636 -6.497 2.972 1.00 0.00 C ATOM 1105 CG GLN A 72 23.180 -7.585 2.036 1.00 0.00 C ATOM 1106 CD GLN A 72 24.645 -7.297 1.697 1.00 0.00 C ATOM 1107 OE1 GLN A 72 24.985 -7.084 0.551 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.533 -7.283 2.654 1.00 0.00 N ATOM 0 H GLN A 72 21.407 -4.524 3.817 1.00 0.00 H new ATOM 0 HA GLN A 72 23.934 -4.918 2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.124 -6.569 3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.570 -6.652 3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.093 -8.562 2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.587 -7.621 1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.248 -7.462 3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.512 -7.093 2.439 1.00 0.00 H new ATOM 1117 N SER A 73 21.610 -3.798 0.749 1.00 0.00 N ATOM 1118 CA SER A 73 20.916 -3.573 -0.556 1.00 0.00 C ATOM 1119 C SER A 73 19.770 -4.573 -0.688 1.00 0.00 C ATOM 1120 O SER A 73 19.637 -5.256 -1.684 1.00 0.00 O ATOM 1121 CB SER A 73 21.976 -3.812 -1.634 1.00 0.00 C ATOM 1122 OG SER A 73 21.897 -2.781 -2.609 1.00 0.00 O ATOM 0 H SER A 73 21.586 -3.006 1.391 1.00 0.00 H new ATOM 0 HA SER A 73 20.493 -2.572 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.969 -3.829 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.821 -4.784 -2.103 1.00 0.00 H new ATOM 0 HG SER A 73 22.576 -2.931 -3.299 1.00 0.00 H new ATOM 1128 N GLN A 74 18.957 -4.682 0.331 1.00 0.00 N ATOM 1129 CA GLN A 74 17.834 -5.662 0.290 1.00 0.00 C ATOM 1130 C GLN A 74 16.540 -5.027 0.816 1.00 0.00 C ATOM 1131 O GLN A 74 16.544 -3.929 1.338 1.00 0.00 O ATOM 1132 CB GLN A 74 18.282 -6.811 1.198 1.00 0.00 C ATOM 1133 CG GLN A 74 19.813 -6.846 1.278 1.00 0.00 C ATOM 1134 CD GLN A 74 20.272 -8.220 1.771 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.329 -8.465 2.960 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.604 -9.134 0.900 1.00 0.00 N ATOM 0 H GLN A 74 19.023 -4.134 1.189 1.00 0.00 H new ATOM 0 HA GLN A 74 17.621 -6.000 -0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.860 -6.684 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.908 -7.759 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.243 -6.638 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.169 -6.069 1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.556 -8.929 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.911 -10.053 1.217 1.00 0.00 H new ATOM 1145 N TYR A 75 15.426 -5.701 0.657 1.00 0.00 N ATOM 1146 CA TYR A 75 14.118 -5.120 1.124 1.00 0.00 C ATOM 1147 C TYR A 75 13.161 -6.206 1.627 1.00 0.00 C ATOM 1148 O TYR A 75 13.279 -7.358 1.277 1.00 0.00 O ATOM 1149 CB TYR A 75 13.505 -4.452 -0.107 1.00 0.00 C ATOM 1150 CG TYR A 75 14.503 -3.526 -0.751 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.514 -4.045 -1.562 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.415 -2.149 -0.536 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.440 -3.191 -2.158 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.340 -1.291 -1.133 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.356 -1.810 -1.946 1.00 0.00 C ATOM 1156 OH TYR A 75 17.271 -0.963 -2.536 1.00 0.00 O ATOM 0 H TYR A 75 15.361 -6.624 0.227 1.00 0.00 H new ATOM 0 HA TYR A 75 14.283 -4.429 1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.190 -5.212 -0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.613 -3.894 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.579 -5.110 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.632 -1.749 0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.222 -3.595 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.272 -0.226 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 75 17.068 -0.037 -2.286 1.00 0.00 H new ATOM 1166 N TYR A 76 12.191 -5.827 2.426 1.00 0.00 N ATOM 1167 CA TYR A 76 11.194 -6.820 2.950 1.00 0.00 C ATOM 1168 C TYR A 76 10.170 -6.128 3.859 1.00 0.00 C ATOM 1169 O TYR A 76 10.430 -5.085 4.418 1.00 0.00 O ATOM 1170 CB TYR A 76 12.003 -7.828 3.785 1.00 0.00 C ATOM 1171 CG TYR A 76 12.724 -7.113 4.909 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.045 -6.821 6.097 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.074 -6.764 4.776 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.707 -6.185 7.149 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.738 -6.123 5.829 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.055 -5.835 7.015 1.00 0.00 C ATOM 1177 OH TYR A 76 14.712 -5.207 8.055 1.00 0.00 O ATOM 0 H TYR A 76 12.045 -4.868 2.740 1.00 0.00 H new ATOM 0 HA TYR A 76 10.651 -7.295 2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.339 -8.589 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.724 -8.343 3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.004 -7.089 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.603 -6.989 3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.179 -5.964 8.065 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.778 -5.851 5.725 1.00 0.00 H new ATOM 0 HH TYR A 76 15.642 -5.035 7.798 1.00 0.00 H new ATOM 1187 N LEU A 77 9.037 -6.744 4.066 1.00 0.00 N ATOM 1188 CA LEU A 77 8.026 -6.162 5.001 1.00 0.00 C ATOM 1189 C LEU A 77 8.199 -6.898 6.333 1.00 0.00 C ATOM 1190 O LEU A 77 7.646 -6.542 7.354 1.00 0.00 O ATOM 1191 CB LEU A 77 6.660 -6.461 4.370 1.00 0.00 C ATOM 1192 CG LEU A 77 5.535 -6.072 5.338 1.00 0.00 C ATOM 1193 CD1 LEU A 77 5.533 -4.557 5.558 1.00 0.00 C ATOM 1194 CD2 LEU A 77 4.187 -6.492 4.746 1.00 0.00 C ATOM 0 H LEU A 77 8.766 -7.625 3.629 1.00 0.00 H new ATOM 0 HA LEU A 77 8.128 -5.090 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.554 -5.909 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.588 -7.520 4.124 1.00 0.00 H new ATOM 0 HG LEU A 77 5.697 -6.576 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.731 -4.290 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.490 -4.249 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.376 -4.051 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.386 -6.216 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.036 -5.988 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.178 -7.571 4.592 1.00 0.00 H new ATOM 1206 N ALA A 78 9.028 -7.905 6.296 1.00 0.00 N ATOM 1207 CA ALA A 78 9.372 -8.709 7.491 1.00 0.00 C ATOM 1208 C ALA A 78 10.756 -9.304 7.225 1.00 0.00 C ATOM 1209 O ALA A 78 10.960 -9.986 6.240 1.00 0.00 O ATOM 1210 CB ALA A 78 8.304 -9.801 7.577 1.00 0.00 C ATOM 0 H ALA A 78 9.498 -8.212 5.444 1.00 0.00 H new ATOM 0 HA ALA A 78 9.398 -8.145 8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.500 -10.434 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.321 -9.341 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.329 -10.407 6.671 1.00 0.00 H new ATOM 1216 N GLU A 79 11.718 -9.023 8.065 1.00 0.00 N ATOM 1217 CA GLU A 79 13.102 -9.545 7.828 1.00 0.00 C ATOM 1218 C GLU A 79 13.083 -11.037 7.491 1.00 0.00 C ATOM 1219 O GLU A 79 14.028 -11.567 6.938 1.00 0.00 O ATOM 1220 CB GLU A 79 13.849 -9.299 9.138 1.00 0.00 C ATOM 1221 CG GLU A 79 14.519 -7.929 9.083 1.00 0.00 C ATOM 1222 CD GLU A 79 15.525 -7.803 10.229 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.405 -8.645 10.312 1.00 0.00 O ATOM 1224 OE2 GLU A 79 15.399 -6.870 11.003 1.00 0.00 O ATOM 0 H GLU A 79 11.608 -8.455 8.905 1.00 0.00 H new ATOM 0 HA GLU A 79 13.578 -9.049 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.157 -9.346 9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.596 -10.077 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.024 -7.798 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.768 -7.142 9.157 1.00 0.00 H new ATOM 1231 N LYS A 80 12.013 -11.709 7.811 1.00 0.00 N ATOM 1232 CA LYS A 80 11.908 -13.170 7.503 1.00 0.00 C ATOM 1233 C LYS A 80 12.429 -13.457 6.088 1.00 0.00 C ATOM 1234 O LYS A 80 13.082 -14.454 5.845 1.00 0.00 O ATOM 1235 CB LYS A 80 10.413 -13.479 7.585 1.00 0.00 C ATOM 1236 CG LYS A 80 10.127 -14.314 8.835 1.00 0.00 C ATOM 1237 CD LYS A 80 10.045 -15.794 8.455 1.00 0.00 C ATOM 1238 CE LYS A 80 9.964 -16.644 9.725 1.00 0.00 C ATOM 1239 NZ LYS A 80 10.617 -17.934 9.367 1.00 0.00 N ATOM 0 H LYS A 80 11.198 -11.309 8.276 1.00 0.00 H new ATOM 0 HA LYS A 80 12.497 -13.778 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.841 -12.552 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.094 -14.020 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.913 -14.161 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.191 -13.993 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.170 -15.972 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.919 -16.079 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.475 -16.160 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.929 -16.797 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.601 -18.571 10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.105 -18.375 8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.602 -17.758 9.085 1.00 0.00 H new ATOM 1253 N HIS A 81 12.153 -12.579 5.161 1.00 0.00 N ATOM 1254 CA HIS A 81 12.634 -12.779 3.763 1.00 0.00 C ATOM 1255 C HIS A 81 12.774 -11.419 3.086 1.00 0.00 C ATOM 1256 O HIS A 81 11.945 -10.547 3.262 1.00 0.00 O ATOM 1257 CB HIS A 81 11.554 -13.611 3.074 1.00 0.00 C ATOM 1258 CG HIS A 81 11.499 -14.981 3.691 1.00 0.00 C ATOM 1259 ND1 HIS A 81 10.439 -15.394 4.482 1.00 0.00 N ATOM 1260 CD2 HIS A 81 12.368 -16.043 3.643 1.00 0.00 C ATOM 1261 CE1 HIS A 81 10.693 -16.656 4.875 1.00 0.00 C ATOM 1262 NE2 HIS A 81 11.857 -17.099 4.392 1.00 0.00 N ATOM 0 H HIS A 81 11.612 -11.728 5.313 1.00 0.00 H new ATOM 0 HA HIS A 81 13.603 -13.276 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.586 -13.119 3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.767 -13.690 2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.305 -16.057 3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.036 -17.239 5.504 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.281 -18.015 4.540 1.00 0.00 H new ATOM 1270 N LEU A 82 13.813 -11.216 2.324 1.00 0.00 N ATOM 1271 CA LEU A 82 13.983 -9.899 1.667 1.00 0.00 C ATOM 1272 C LEU A 82 14.663 -10.054 0.304 1.00 0.00 C ATOM 1273 O LEU A 82 15.503 -10.912 0.110 1.00 0.00 O ATOM 1274 CB LEU A 82 14.849 -9.089 2.642 1.00 0.00 C ATOM 1275 CG LEU A 82 16.255 -9.677 2.721 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.186 -8.664 3.388 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.241 -10.966 3.550 1.00 0.00 C ATOM 0 H LEU A 82 14.544 -11.901 2.132 1.00 0.00 H new ATOM 0 HA LEU A 82 13.032 -9.406 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.900 -8.050 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.392 -9.090 3.631 1.00 0.00 H new ATOM 0 HG LEU A 82 16.605 -9.902 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.192 -9.079 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.206 -7.746 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.825 -8.444 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.249 -11.377 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.888 -10.747 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.576 -11.692 3.083 1.00 0.00 H new ATOM 1289 N PHE A 83 14.303 -9.227 -0.640 1.00 0.00 N ATOM 1290 CA PHE A 83 14.921 -9.314 -1.992 1.00 0.00 C ATOM 1291 C PHE A 83 15.718 -8.037 -2.277 1.00 0.00 C ATOM 1292 O PHE A 83 16.240 -7.421 -1.371 1.00 0.00 O ATOM 1293 CB PHE A 83 13.740 -9.469 -2.950 1.00 0.00 C ATOM 1294 CG PHE A 83 13.122 -10.829 -2.742 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.292 -11.059 -1.638 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.388 -11.865 -3.646 1.00 0.00 C ATOM 1297 CE1 PHE A 83 11.727 -12.324 -1.439 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.821 -13.130 -3.446 1.00 0.00 C ATOM 1299 CZ PHE A 83 11.991 -13.359 -2.342 1.00 0.00 C ATOM 0 H PHE A 83 13.604 -8.492 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 83 15.621 -10.143 -2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.002 -8.687 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.074 -9.360 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.088 -10.260 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 83 14.030 -11.689 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.087 -12.501 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 83 13.024 -13.929 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.555 -14.335 -2.188 1.00 0.00 H new ATOM 1309 N SER A 84 15.831 -7.638 -3.517 1.00 0.00 N ATOM 1310 CA SER A 84 16.616 -6.406 -3.823 1.00 0.00 C ATOM 1311 C SER A 84 15.701 -5.247 -4.250 1.00 0.00 C ATOM 1312 O SER A 84 16.168 -4.162 -4.533 1.00 0.00 O ATOM 1313 CB SER A 84 17.542 -6.805 -4.970 1.00 0.00 C ATOM 1314 OG SER A 84 18.494 -5.771 -5.188 1.00 0.00 O ATOM 0 H SER A 84 15.418 -8.107 -4.324 1.00 0.00 H new ATOM 0 HA SER A 84 17.163 -6.053 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.051 -7.739 -4.733 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.963 -6.978 -5.877 1.00 0.00 H new ATOM 0 HG SER A 84 18.059 -4.899 -5.084 1.00 0.00 H new ATOM 1320 N THR A 85 14.408 -5.455 -4.296 1.00 0.00 N ATOM 1321 CA THR A 85 13.481 -4.344 -4.695 1.00 0.00 C ATOM 1322 C THR A 85 12.022 -4.765 -4.489 1.00 0.00 C ATOM 1323 O THR A 85 11.721 -5.932 -4.310 1.00 0.00 O ATOM 1324 CB THR A 85 13.722 -4.079 -6.190 1.00 0.00 C ATOM 1325 OG1 THR A 85 15.047 -4.440 -6.560 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.494 -2.596 -6.480 1.00 0.00 C ATOM 0 H THR A 85 13.953 -6.341 -4.076 1.00 0.00 H new ATOM 0 HA THR A 85 13.668 -3.456 -4.092 1.00 0.00 H new ATOM 0 HB THR A 85 13.026 -4.684 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.687 -3.900 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.664 -2.402 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.470 -2.328 -6.222 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.186 -1.999 -5.886 1.00 0.00 H new ATOM 1334 N ILE A 86 11.107 -3.826 -4.529 1.00 0.00 N ATOM 1335 CA ILE A 86 9.665 -4.175 -4.354 1.00 0.00 C ATOM 1336 C ILE A 86 9.216 -5.235 -5.380 1.00 0.00 C ATOM 1337 O ILE A 86 8.631 -6.229 -5.001 1.00 0.00 O ATOM 1338 CB ILE A 86 8.913 -2.853 -4.557 1.00 0.00 C ATOM 1339 CG1 ILE A 86 8.584 -2.256 -3.194 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.605 -3.085 -5.325 1.00 0.00 C ATOM 1341 CD1 ILE A 86 9.861 -1.716 -2.548 1.00 0.00 C ATOM 0 H ILE A 86 11.298 -2.835 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 86 9.468 -4.611 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 86 9.544 -2.175 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.853 -1.455 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.133 -3.014 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.088 -2.135 -5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.828 -3.517 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.969 -3.769 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.623 -1.290 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.577 -2.528 -2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.293 -0.945 -3.186 1.00 0.00 H new ATOM 1353 N PRO A 87 9.482 -5.000 -6.652 1.00 0.00 N ATOM 1354 CA PRO A 87 9.062 -5.966 -7.695 1.00 0.00 C ATOM 1355 C PRO A 87 9.569 -7.371 -7.367 1.00 0.00 C ATOM 1356 O PRO A 87 8.861 -8.346 -7.523 1.00 0.00 O ATOM 1357 CB PRO A 87 9.708 -5.401 -8.963 1.00 0.00 C ATOM 1358 CG PRO A 87 10.466 -4.112 -8.597 1.00 0.00 C ATOM 1359 CD PRO A 87 10.215 -3.795 -7.116 1.00 0.00 C ATOM 0 HA PRO A 87 7.981 -6.072 -7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.391 -6.131 -9.397 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.946 -5.191 -9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.533 -4.236 -8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.129 -3.285 -9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.146 -3.650 -6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.626 -2.887 -6.989 1.00 0.00 H new ATOM 1367 N GLU A 88 10.781 -7.482 -6.894 1.00 0.00 N ATOM 1368 CA GLU A 88 11.312 -8.828 -6.538 1.00 0.00 C ATOM 1369 C GLU A 88 10.514 -9.387 -5.358 1.00 0.00 C ATOM 1370 O GLU A 88 10.198 -10.560 -5.307 1.00 0.00 O ATOM 1371 CB GLU A 88 12.771 -8.596 -6.146 1.00 0.00 C ATOM 1372 CG GLU A 88 13.564 -9.888 -6.347 1.00 0.00 C ATOM 1373 CD GLU A 88 13.770 -10.133 -7.844 1.00 0.00 C ATOM 1374 OE1 GLU A 88 14.084 -9.183 -8.541 1.00 0.00 O ATOM 1375 OE2 GLU A 88 13.611 -11.265 -8.266 1.00 0.00 O ATOM 0 H GLU A 88 11.422 -6.704 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 88 11.232 -9.544 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.199 -7.796 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.833 -8.277 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.528 -9.818 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.031 -10.727 -5.900 1.00 0.00 H new ATOM 1382 N LEU A 89 10.178 -8.546 -4.413 1.00 0.00 N ATOM 1383 CA LEU A 89 9.389 -9.012 -3.233 1.00 0.00 C ATOM 1384 C LEU A 89 7.946 -9.317 -3.650 1.00 0.00 C ATOM 1385 O LEU A 89 7.456 -10.413 -3.464 1.00 0.00 O ATOM 1386 CB LEU A 89 9.420 -7.843 -2.247 1.00 0.00 C ATOM 1387 CG LEU A 89 10.510 -8.082 -1.200 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.952 -6.742 -0.606 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.958 -8.977 -0.088 1.00 0.00 C ATOM 0 H LEU A 89 10.417 -7.554 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 89 9.798 -9.924 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.611 -6.911 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.450 -7.739 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 89 11.365 -8.569 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.728 -6.913 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.344 -6.104 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.099 -6.253 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.733 -9.149 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.103 -8.489 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.644 -9.931 -0.511 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.143 -3.703 -7.058 1.00 0.00 N ATOM 1663 CA TYR A 106 -7.861 -2.691 -7.887 1.00 0.00 C ATOM 1664 C TYR A 106 -7.032 -1.404 -8.005 1.00 0.00 C ATOM 1665 O TYR A 106 -6.763 -0.758 -7.012 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.167 -2.413 -7.144 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.134 -1.759 -8.095 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.856 -0.489 -8.614 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.302 -2.428 -8.468 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.748 0.112 -9.507 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.198 -1.827 -9.359 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.921 -0.557 -9.880 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.803 0.035 -10.761 1.00 0.00 O ATOM 0 HA TYR A 106 -8.036 -3.050 -8.901 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.587 -3.342 -6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.984 -1.765 -6.287 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.952 0.027 -8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.514 -3.409 -8.069 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.533 1.091 -9.909 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.103 -2.342 -9.645 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.564 -0.564 -10.914 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.651 -1.059 -9.218 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.854 0.169 -9.439 1.00 0.00 C ATOM 1685 C PRO A 107 -6.671 1.420 -9.111 1.00 0.00 C ATOM 1686 O PRO A 107 -7.064 2.171 -9.982 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.529 0.104 -10.932 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.170 -1.169 -11.521 1.00 0.00 C ATOM 1689 CD PRO A 107 -6.978 -1.867 -10.419 1.00 0.00 C ATOM 0 HA PRO A 107 -4.967 0.225 -8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.910 0.989 -11.441 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.450 0.089 -11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.817 -0.913 -12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.399 -1.837 -11.905 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.047 -1.860 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.684 -2.910 -10.299 1.00 0.00 H new