USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 635 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 417 HIS : no HD1:sc= -0.481 X(o=-2.1,f=-2.5) USER MOD Set 1.2: A 421 CYS SG : rot -110:sc= 0.603 USER MOD Set 1.3: A 426 CYS SG : rot 151:sc= -1.05! USER MOD Set 1.4: A 429 CYS SG : rot 173:sc= -1.16! USER MOD Set 2.1: A 401 LYS NZ :NH3+ 160:sc= 0.799 (180deg=0) USER MOD Set 2.2: A 416 SER OG : rot 110:sc= 0.703 USER MOD Set 3.1: A 393 HIS :FLIP no HE2:sc= -0.347 F(o=-1.2,f=-0.26) USER MOD Set 3.2: A 397 CYS SG : rot 166:sc= 0.133 USER MOD Set 3.3: A 403 CYS SG : rot -58:sc= -0.225 USER MOD Set 3.4: A 408 CYS SG : rot 70:sc= 0.179 USER MOD Set 4.1: A 394 MET CE :methyl 172:sc= -0.29 (180deg=-0.0748) USER MOD Set 4.2: A 411 SER OG : rot -48:sc= 1.1 USER MOD Set 5.1: A 356 GLN : amide:sc= -0.17 K(o=-0.39,f=-1.2) USER MOD Set 5.2: A 387 MET CE :methyl -155:sc= -0.218 (180deg=-1.11) USER MOD Set 6.1: A 362 HIS :FLIP no HD1:sc= 0.39 F(o=-1.4,f=1.7) USER MOD Set 6.2: A 366 CYS SG : rot -152:sc= 1.19 USER MOD Set 6.3: A 384 CYS SG : rot 92:sc= -2.28! USER MOD Set 6.4: A 388 LYS NZ :NH3+ 167:sc= 2.36 (180deg=0.81) USER MOD Single : A 349 LYS NZ :NH3+ -148:sc= 1.21 (180deg=0.821) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 GLN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 HIS : no HE2:sc= 1.04 K(o=1,f=-6!) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.9) USER MOD Single : A 371 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.09) USER MOD Single : A 383 HIS : no HE2:sc= 0.166 K(o=0.17,f=-1.4) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HE2:sc= 1.05 K(o=1,f=-3.1!) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 404 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 407 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.86) USER MOD Single : A 410 SER OG : rot 83:sc= 0.867 USER MOD Single : A 413 GLN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 419 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 ASN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 424 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 3.894 -16.313 14.830 1.00 0.00 N ATOM 85 CA PRO A 347 3.350 -15.033 15.310 1.00 0.00 C ATOM 86 C PRO A 347 4.105 -13.742 14.982 1.00 0.00 C ATOM 87 O PRO A 347 3.486 -12.817 14.463 1.00 0.00 O ATOM 88 CB PRO A 347 3.139 -15.198 16.818 1.00 0.00 C ATOM 89 CG PRO A 347 2.938 -16.701 16.980 1.00 0.00 C ATOM 90 CD PRO A 347 3.868 -17.284 15.919 1.00 0.00 C ATOM 0 HA PRO A 347 2.432 -14.863 14.748 1.00 0.00 H new ATOM 0 HB2 PRO A 347 3.999 -14.843 17.386 1.00 0.00 H new ATOM 0 HB3 PRO A 347 2.273 -14.636 17.167 1.00 0.00 H new ATOM 0 HG2 PRO A 347 3.205 -17.039 17.981 1.00 0.00 H new ATOM 0 HG3 PRO A 347 1.901 -16.991 16.812 1.00 0.00 H new ATOM 0 HD2 PRO A 347 4.868 -17.445 16.322 1.00 0.00 H new ATOM 0 HD3 PRO A 347 3.505 -18.251 15.571 1.00 0.00 H new ATOM 98 N GLU A 348 5.411 -13.640 15.244 1.00 0.00 N ATOM 99 CA GLU A 348 6.188 -12.429 14.899 1.00 0.00 C ATOM 100 C GLU A 348 6.184 -12.190 13.381 1.00 0.00 C ATOM 101 O GLU A 348 6.060 -11.058 12.908 1.00 0.00 O ATOM 102 CB GLU A 348 7.616 -12.434 15.479 1.00 0.00 C ATOM 103 CG GLU A 348 8.474 -13.648 15.110 1.00 0.00 C ATOM 104 CD GLU A 348 9.974 -13.398 15.348 1.00 0.00 C ATOM 105 OE1 GLU A 348 10.401 -13.266 16.521 1.00 0.00 O ATOM 106 OE2 GLU A 348 10.741 -13.348 14.353 1.00 0.00 O ATOM 0 H GLU A 348 5.958 -14.375 15.692 1.00 0.00 H new ATOM 0 HA GLU A 348 5.685 -11.588 15.377 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.129 -11.533 15.143 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.548 -12.376 16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 348 8.154 -14.508 15.698 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.312 -13.900 14.062 1.00 0.00 H new ATOM 113 N LYS A 349 6.207 -13.274 12.604 1.00 0.00 N ATOM 114 CA LYS A 349 6.105 -13.234 11.153 1.00 0.00 C ATOM 115 C LYS A 349 4.721 -12.733 10.770 1.00 0.00 C ATOM 116 O LYS A 349 4.661 -11.829 9.957 1.00 0.00 O ATOM 117 CB LYS A 349 6.468 -14.602 10.552 1.00 0.00 C ATOM 118 CG LYS A 349 7.955 -14.699 10.174 1.00 0.00 C ATOM 119 CD LYS A 349 8.943 -14.436 11.319 1.00 0.00 C ATOM 120 CE LYS A 349 10.390 -14.627 10.859 1.00 0.00 C ATOM 121 NZ LYS A 349 11.302 -14.789 12.021 1.00 0.00 N ATOM 0 H LYS A 349 6.299 -14.219 12.977 1.00 0.00 H new ATOM 0 HA LYS A 349 6.825 -12.533 10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.226 -15.387 11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 349 5.858 -14.780 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 349 8.146 -15.694 9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 349 8.156 -13.988 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 349 8.809 -13.421 11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 349 8.730 -15.111 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 349 10.458 -15.503 10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 349 10.702 -13.769 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 12.234 -14.389 11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 10.907 -14.292 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 11.405 -15.800 12.243 1.00 0.00 H new ATOM 135 N ARG A 350 3.622 -13.204 11.373 1.00 0.00 N ATOM 136 CA ARG A 350 2.257 -12.701 11.095 1.00 0.00 C ATOM 137 C ARG A 350 2.154 -11.179 11.168 1.00 0.00 C ATOM 138 O ARG A 350 1.625 -10.578 10.233 1.00 0.00 O ATOM 139 CB ARG A 350 1.191 -13.392 11.975 1.00 0.00 C ATOM 140 CG ARG A 350 1.113 -14.931 11.915 1.00 0.00 C ATOM 141 CD ARG A 350 1.489 -15.592 10.578 1.00 0.00 C ATOM 142 NE ARG A 350 0.588 -15.176 9.485 1.00 0.00 N ATOM 143 CZ ARG A 350 0.813 -15.260 8.185 1.00 0.00 C ATOM 144 NH1 ARG A 350 1.922 -15.726 7.684 1.00 0.00 N ATOM 145 NH2 ARG A 350 -0.095 -14.864 7.341 1.00 0.00 N ATOM 0 H ARG A 350 3.647 -13.947 12.071 1.00 0.00 H new ATOM 0 HA ARG A 350 2.046 -12.971 10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.370 -13.104 13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 350 0.215 -12.994 11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 350 1.765 -15.335 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 350 0.096 -15.230 12.168 1.00 0.00 H new ATOM 0 HD2 ARG A 350 2.516 -15.332 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 350 1.452 -16.676 10.686 1.00 0.00 H new ATOM 0 HE ARG A 350 -0.309 -14.779 9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 350 2.666 -16.047 8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 350 2.046 -15.770 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -0.980 -14.489 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 350 0.078 -14.929 6.338 1.00 0.00 H new ATOM 159 N LYS A 351 2.690 -10.554 12.221 1.00 0.00 N ATOM 160 CA LYS A 351 2.694 -9.085 12.401 1.00 0.00 C ATOM 161 C LYS A 351 3.598 -8.368 11.393 1.00 0.00 C ATOM 162 O LYS A 351 3.117 -7.490 10.670 1.00 0.00 O ATOM 163 CB LYS A 351 3.046 -8.640 13.838 1.00 0.00 C ATOM 164 CG LYS A 351 3.423 -9.765 14.806 1.00 0.00 C ATOM 165 CD LYS A 351 4.040 -9.192 16.083 1.00 0.00 C ATOM 166 CE LYS A 351 4.080 -10.206 17.239 1.00 0.00 C ATOM 167 NZ LYS A 351 2.738 -10.414 17.851 1.00 0.00 N ATOM 0 H LYS A 351 3.141 -11.054 12.987 1.00 0.00 H new ATOM 0 HA LYS A 351 1.663 -8.786 12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 351 3.876 -7.935 13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 351 2.194 -8.100 14.251 1.00 0.00 H new ATOM 0 HG2 LYS A 351 2.538 -10.350 15.054 1.00 0.00 H new ATOM 0 HG3 LYS A 351 4.129 -10.443 14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 351 5.054 -8.853 15.870 1.00 0.00 H new ATOM 0 HD3 LYS A 351 3.470 -8.317 16.394 1.00 0.00 H new ATOM 0 HE2 LYS A 351 4.462 -11.159 16.872 1.00 0.00 H new ATOM 0 HE3 LYS A 351 4.776 -9.857 18.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 2.813 -11.105 18.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 2.384 -9.511 18.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 2.079 -10.772 17.130 1.00 0.00 H new ATOM 181 N LEU A 352 4.887 -8.723 11.298 1.00 0.00 N ATOM 182 CA LEU A 352 5.746 -8.064 10.315 1.00 0.00 C ATOM 183 C LEU A 352 5.349 -8.318 8.847 1.00 0.00 C ATOM 184 O LEU A 352 5.346 -7.377 8.057 1.00 0.00 O ATOM 185 CB LEU A 352 7.252 -8.177 10.612 1.00 0.00 C ATOM 186 CG LEU A 352 7.711 -8.264 12.080 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.204 -8.584 12.152 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.468 -6.937 12.802 1.00 0.00 C ATOM 0 H LEU A 352 5.342 -9.436 11.868 1.00 0.00 H new ATOM 0 HA LEU A 352 5.540 -7.002 10.449 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.625 -9.061 10.096 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.743 -7.314 10.162 1.00 0.00 H new ATOM 0 HG LEU A 352 7.135 -9.055 12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.514 -8.642 13.195 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.395 -9.539 11.663 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.769 -7.799 11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 352 7.799 -7.020 13.837 1.00 0.00 H new ATOM 0 HD22 LEU A 352 8.027 -6.144 12.305 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.404 -6.700 12.779 1.00 0.00 H new ATOM 200 N ILE A 353 4.944 -9.538 8.477 1.00 0.00 N ATOM 201 CA ILE A 353 4.501 -9.882 7.110 1.00 0.00 C ATOM 202 C ILE A 353 3.230 -9.120 6.727 1.00 0.00 C ATOM 203 O ILE A 353 3.153 -8.548 5.636 1.00 0.00 O ATOM 204 CB ILE A 353 4.367 -11.416 6.942 1.00 0.00 C ATOM 205 CG1 ILE A 353 4.721 -11.860 5.515 1.00 0.00 C ATOM 206 CG2 ILE A 353 3.002 -12.015 7.333 1.00 0.00 C ATOM 207 CD1 ILE A 353 4.983 -13.366 5.396 1.00 0.00 C ATOM 0 H ILE A 353 4.912 -10.328 9.122 1.00 0.00 H new ATOM 0 HA ILE A 353 5.268 -9.559 6.406 1.00 0.00 H new ATOM 0 HB ILE A 353 5.086 -11.811 7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 353 3.907 -11.586 4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 353 5.605 -11.317 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 353 3.020 -13.093 7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.800 -11.804 8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 353 2.220 -11.571 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 353 5.227 -13.612 4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 353 5.816 -13.642 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.092 -13.915 5.699 1.00 0.00 H new ATOM 219 N GLN A 354 2.248 -9.049 7.637 1.00 0.00 N ATOM 220 CA GLN A 354 1.049 -8.250 7.346 1.00 0.00 C ATOM 221 C GLN A 354 1.365 -6.750 7.258 1.00 0.00 C ATOM 222 O GLN A 354 0.775 -6.063 6.426 1.00 0.00 O ATOM 223 CB GLN A 354 -0.115 -8.528 8.306 1.00 0.00 C ATOM 224 CG GLN A 354 0.035 -7.943 9.712 1.00 0.00 C ATOM 225 CD GLN A 354 -1.136 -8.330 10.607 1.00 0.00 C ATOM 226 OE1 GLN A 354 -2.010 -7.535 10.929 1.00 0.00 O ATOM 227 NE2 GLN A 354 -1.189 -9.572 11.041 1.00 0.00 N ATOM 0 H GLN A 354 2.255 -9.514 8.545 1.00 0.00 H new ATOM 0 HA GLN A 354 0.711 -8.574 6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.030 -8.134 7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.242 -9.607 8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.966 -8.296 10.156 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.103 -6.857 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -0.463 -10.237 10.775 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -1.956 -9.869 11.643 1.00 0.00 H new ATOM 236 N GLN A 355 2.312 -6.229 8.053 1.00 0.00 N ATOM 237 CA GLN A 355 2.673 -4.811 7.989 1.00 0.00 C ATOM 238 C GLN A 355 3.408 -4.489 6.679 1.00 0.00 C ATOM 239 O GLN A 355 3.193 -3.435 6.089 1.00 0.00 O ATOM 240 CB GLN A 355 3.459 -4.434 9.241 1.00 0.00 C ATOM 241 CG GLN A 355 3.905 -2.963 9.269 1.00 0.00 C ATOM 242 CD GLN A 355 4.581 -2.593 10.589 1.00 0.00 C ATOM 243 OE1 GLN A 355 3.972 -2.574 11.651 1.00 0.00 O ATOM 244 NE2 GLN A 355 5.860 -2.276 10.584 1.00 0.00 N ATOM 0 H GLN A 355 2.837 -6.767 8.742 1.00 0.00 H new ATOM 0 HA GLN A 355 1.774 -4.195 7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.846 -4.636 10.119 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.339 -5.073 9.313 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.594 -2.778 8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 355 3.040 -2.319 9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 355 6.384 -2.286 9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 355 6.326 -2.021 11.455 1.00 0.00 H new ATOM 253 N GLN A 356 4.246 -5.411 6.200 1.00 0.00 N ATOM 254 CA GLN A 356 5.027 -5.285 4.966 1.00 0.00 C ATOM 255 C GLN A 356 4.061 -5.199 3.777 1.00 0.00 C ATOM 256 O GLN A 356 4.133 -4.284 2.960 1.00 0.00 O ATOM 257 CB GLN A 356 5.816 -6.589 4.806 1.00 0.00 C ATOM 258 CG GLN A 356 7.183 -6.524 5.494 1.00 0.00 C ATOM 259 CD GLN A 356 8.116 -5.478 4.887 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.529 -5.565 3.738 1.00 0.00 O ATOM 261 NE2 GLN A 356 8.486 -4.455 5.627 1.00 0.00 N ATOM 0 H GLN A 356 4.406 -6.298 6.678 1.00 0.00 H new ATOM 0 HA GLN A 356 5.672 -4.407 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 356 5.239 -7.414 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 356 5.954 -6.801 3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 356 7.040 -6.303 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.659 -7.503 5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 356 8.149 -4.371 6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 356 9.110 -3.746 5.242 1.00 0.00 H new ATOM 270 N LEU A 357 3.128 -6.157 3.720 1.00 0.00 N ATOM 271 CA LEU A 357 2.058 -6.276 2.731 1.00 0.00 C ATOM 272 C LEU A 357 1.217 -4.982 2.747 1.00 0.00 C ATOM 273 O LEU A 357 1.075 -4.334 1.711 1.00 0.00 O ATOM 274 CB LEU A 357 1.343 -7.584 3.126 1.00 0.00 C ATOM 275 CG LEU A 357 0.154 -8.053 2.279 1.00 0.00 C ATOM 276 CD1 LEU A 357 -0.211 -9.489 2.669 1.00 0.00 C ATOM 277 CD2 LEU A 357 -1.031 -7.148 2.564 1.00 0.00 C ATOM 0 H LEU A 357 3.101 -6.913 4.405 1.00 0.00 H new ATOM 0 HA LEU A 357 2.364 -6.355 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 357 2.086 -8.381 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 357 0.995 -7.474 4.153 1.00 0.00 H new ATOM 0 HG LEU A 357 0.413 -8.016 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.056 -9.825 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 357 0.643 -10.142 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -0.480 -9.522 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.886 -7.469 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.285 -7.204 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.774 -6.121 2.306 1.00 0.00 H new ATOM 289 N VAL A 358 0.723 -4.543 3.911 1.00 0.00 N ATOM 290 CA VAL A 358 -0.035 -3.281 4.056 1.00 0.00 C ATOM 291 C VAL A 358 0.770 -2.067 3.561 1.00 0.00 C ATOM 292 O VAL A 358 0.220 -1.219 2.859 1.00 0.00 O ATOM 293 CB VAL A 358 -0.492 -3.105 5.522 1.00 0.00 C ATOM 294 CG1 VAL A 358 -0.971 -1.687 5.863 1.00 0.00 C ATOM 295 CG2 VAL A 358 -1.648 -4.068 5.843 1.00 0.00 C ATOM 0 H VAL A 358 0.835 -5.052 4.788 1.00 0.00 H new ATOM 0 HA VAL A 358 -0.921 -3.341 3.423 1.00 0.00 H new ATOM 0 HB VAL A 358 0.394 -3.317 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.274 -1.647 6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.161 -0.978 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -1.819 -1.427 5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -1.958 -3.932 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.489 -3.860 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.317 -5.096 5.696 1.00 0.00 H new ATOM 305 N LEU A 359 2.072 -1.996 3.858 1.00 0.00 N ATOM 306 CA LEU A 359 2.959 -0.916 3.401 1.00 0.00 C ATOM 307 C LEU A 359 3.189 -0.978 1.884 1.00 0.00 C ATOM 308 O LEU A 359 3.365 0.063 1.265 1.00 0.00 O ATOM 309 CB LEU A 359 4.301 -0.937 4.159 1.00 0.00 C ATOM 310 CG LEU A 359 4.246 -0.386 5.596 1.00 0.00 C ATOM 311 CD1 LEU A 359 5.556 -0.712 6.316 1.00 0.00 C ATOM 312 CD2 LEU A 359 4.067 1.136 5.626 1.00 0.00 C ATOM 0 H LEU A 359 2.547 -2.695 4.429 1.00 0.00 H new ATOM 0 HA LEU A 359 2.460 0.027 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.665 -1.964 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.030 -0.359 3.592 1.00 0.00 H new ATOM 0 HG LEU A 359 3.390 -0.852 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.519 -0.323 7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 359 5.696 -1.793 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 359 6.388 -0.253 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 359 4.034 1.478 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 359 4.904 1.611 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.136 1.403 5.126 1.00 0.00 H new ATOM 324 N LEU A 360 3.152 -2.164 1.270 1.00 0.00 N ATOM 325 CA LEU A 360 3.267 -2.364 -0.179 1.00 0.00 C ATOM 326 C LEU A 360 2.035 -1.834 -0.915 1.00 0.00 C ATOM 327 O LEU A 360 2.134 -1.136 -1.924 1.00 0.00 O ATOM 328 CB LEU A 360 3.396 -3.873 -0.462 1.00 0.00 C ATOM 329 CG LEU A 360 4.589 -4.305 -1.338 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.943 -3.682 -0.998 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.772 -5.815 -1.199 1.00 0.00 C ATOM 0 H LEU A 360 3.038 -3.039 1.782 1.00 0.00 H new ATOM 0 HA LEU A 360 4.143 -1.820 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.466 -4.395 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.478 -4.210 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 360 4.326 -3.963 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.701 -4.063 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.879 -2.598 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 360 6.216 -3.940 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.613 -6.138 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.968 -6.063 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.866 -6.323 -1.529 1.00 0.00 H new ATOM 343 N LEU A 361 0.857 -2.164 -0.393 1.00 0.00 N ATOM 344 CA LEU A 361 -0.413 -1.714 -0.952 1.00 0.00 C ATOM 345 C LEU A 361 -0.525 -0.194 -0.795 1.00 0.00 C ATOM 346 O LEU A 361 -0.853 0.514 -1.754 1.00 0.00 O ATOM 347 CB LEU A 361 -1.538 -2.494 -0.261 1.00 0.00 C ATOM 348 CG LEU A 361 -1.391 -4.021 -0.470 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.474 -4.728 0.338 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.551 -4.462 -1.925 1.00 0.00 C ATOM 0 H LEU A 361 0.757 -2.754 0.433 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.486 -1.914 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.533 -2.271 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.501 -2.165 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.381 -4.281 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.384 -5.806 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.357 -4.485 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.456 -4.399 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.435 -5.544 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.541 -4.180 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -0.791 -3.977 -2.538 1.00 0.00 H new ATOM 362 N HIS A 362 -0.137 0.310 0.385 1.00 0.00 N ATOM 363 CA HIS A 362 -0.030 1.739 0.647 1.00 0.00 C ATOM 364 C HIS A 362 0.987 2.373 -0.315 1.00 0.00 C ATOM 365 O HIS A 362 0.716 3.435 -0.858 1.00 0.00 O ATOM 366 CB HIS A 362 0.346 2.001 2.113 1.00 0.00 C ATOM 367 CG HIS A 362 0.373 3.476 2.431 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.346 4.362 2.057 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.621 4.204 3.046 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 0.931 5.645 2.424 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 -0.258 5.499 3.029 1.00 0.00 N flip ATOM 0 H HIS A 362 0.111 -0.272 1.185 1.00 0.00 H new ATOM 0 HA HIS A 362 -1.001 2.203 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.369 1.502 2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.324 1.567 2.320 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -1.532 3.805 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 362 1.462 6.570 2.254 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.809 6.263 3.421 1.00 0.00 H new ATOM 379 N ALA A 363 2.132 1.736 -0.572 1.00 0.00 N ATOM 380 CA ALA A 363 3.144 2.228 -1.502 1.00 0.00 C ATOM 381 C ALA A 363 2.586 2.392 -2.922 1.00 0.00 C ATOM 382 O ALA A 363 2.784 3.454 -3.504 1.00 0.00 O ATOM 383 CB ALA A 363 4.373 1.318 -1.456 1.00 0.00 C ATOM 0 H ALA A 363 2.383 0.851 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 363 3.451 3.226 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.126 1.688 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.783 1.312 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.086 0.305 -1.738 1.00 0.00 H new ATOM 389 N HIS A 364 1.855 1.415 -3.474 1.00 0.00 N ATOM 390 CA HIS A 364 1.213 1.548 -4.789 1.00 0.00 C ATOM 391 C HIS A 364 0.270 2.761 -4.811 1.00 0.00 C ATOM 392 O HIS A 364 0.424 3.685 -5.618 1.00 0.00 O ATOM 393 CB HIS A 364 0.423 0.273 -5.116 1.00 0.00 C ATOM 394 CG HIS A 364 -0.389 0.369 -6.387 1.00 0.00 C ATOM 395 ND1 HIS A 364 -1.703 -0.021 -6.533 1.00 0.00 N ATOM 396 CD2 HIS A 364 0.002 0.913 -7.583 1.00 0.00 C ATOM 397 CE1 HIS A 364 -2.096 0.277 -7.782 1.00 0.00 C ATOM 398 NE2 HIS A 364 -1.091 0.860 -8.462 1.00 0.00 N ATOM 0 H HIS A 364 1.692 0.514 -3.024 1.00 0.00 H new ATOM 0 HA HIS A 364 1.990 1.696 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 364 1.118 -0.562 -5.202 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.245 0.047 -4.285 1.00 0.00 H new ATOM 0 HD1 HIS A 364 -2.279 -0.461 -5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 364 0.980 1.312 -7.809 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -3.078 0.077 -8.184 1.00 0.00 H new ATOM 406 N LYS A 365 -0.663 2.759 -3.852 1.00 0.00 N ATOM 407 CA LYS A 365 -1.631 3.834 -3.574 1.00 0.00 C ATOM 408 C LYS A 365 -1.000 5.227 -3.571 1.00 0.00 C ATOM 409 O LYS A 365 -1.426 6.133 -4.290 1.00 0.00 O ATOM 410 CB LYS A 365 -2.284 3.476 -2.218 1.00 0.00 C ATOM 411 CG LYS A 365 -2.756 4.646 -1.340 1.00 0.00 C ATOM 412 CD LYS A 365 -3.446 4.090 -0.083 1.00 0.00 C ATOM 413 CE LYS A 365 -4.306 5.175 0.578 1.00 0.00 C ATOM 414 NZ LYS A 365 -5.042 4.649 1.761 1.00 0.00 N ATOM 0 H LYS A 365 -0.771 1.970 -3.215 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.376 3.892 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.142 2.833 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.569 2.888 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.908 5.270 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.446 5.279 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -4.068 3.236 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.697 3.731 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.671 6.006 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -5.018 5.568 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.612 5.410 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.666 3.872 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.362 4.297 2.465 1.00 0.00 H new ATOM 428 N CYS A 366 -0.001 5.383 -2.718 1.00 0.00 N ATOM 429 CA CYS A 366 0.674 6.622 -2.420 1.00 0.00 C ATOM 430 C CYS A 366 1.628 7.046 -3.541 1.00 0.00 C ATOM 431 O CYS A 366 1.638 8.220 -3.881 1.00 0.00 O ATOM 432 CB CYS A 366 1.282 6.399 -1.036 1.00 0.00 C ATOM 433 SG CYS A 366 1.968 7.872 -0.239 1.00 0.00 S ATOM 0 H CYS A 366 0.378 4.598 -2.187 1.00 0.00 H new ATOM 0 HA CYS A 366 0.016 7.490 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.515 5.979 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.072 5.652 -1.121 1.00 0.00 H new ATOM 0 HG CYS A 366 2.921 7.522 0.573 1.00 0.00 H new ATOM 438 N GLN A 367 2.351 6.129 -4.195 1.00 0.00 N ATOM 439 CA GLN A 367 3.183 6.460 -5.362 1.00 0.00 C ATOM 440 C GLN A 367 2.294 7.035 -6.472 1.00 0.00 C ATOM 441 O GLN A 367 2.619 8.076 -7.041 1.00 0.00 O ATOM 442 CB GLN A 367 3.978 5.221 -5.814 1.00 0.00 C ATOM 443 CG GLN A 367 5.067 5.494 -6.870 1.00 0.00 C ATOM 444 CD GLN A 367 4.625 5.362 -8.332 1.00 0.00 C ATOM 445 OE1 GLN A 367 3.455 5.270 -8.678 1.00 0.00 O ATOM 446 NE2 GLN A 367 5.560 5.327 -9.258 1.00 0.00 N ATOM 0 H GLN A 367 2.377 5.143 -3.934 1.00 0.00 H new ATOM 0 HA GLN A 367 3.916 7.223 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 367 4.447 4.770 -4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 367 3.280 4.487 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 367 5.452 6.502 -6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 367 5.895 4.807 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 367 6.542 5.402 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 367 5.302 5.225 -10.240 1.00 0.00 H new ATOM 455 N ARG A 368 1.131 6.410 -6.721 1.00 0.00 N ATOM 456 CA ARG A 368 0.137 6.895 -7.689 1.00 0.00 C ATOM 457 C ARG A 368 -0.380 8.281 -7.324 1.00 0.00 C ATOM 458 O ARG A 368 -0.318 9.187 -8.158 1.00 0.00 O ATOM 459 CB ARG A 368 -0.966 5.832 -7.844 1.00 0.00 C ATOM 460 CG ARG A 368 -1.917 6.113 -9.019 1.00 0.00 C ATOM 461 CD ARG A 368 -2.913 4.960 -9.230 1.00 0.00 C ATOM 462 NE ARG A 368 -2.250 3.706 -9.653 1.00 0.00 N ATOM 463 CZ ARG A 368 -1.905 3.349 -10.878 1.00 0.00 C ATOM 464 NH1 ARG A 368 -2.118 4.106 -11.919 1.00 0.00 N ATOM 465 NH2 ARG A 368 -1.328 2.201 -11.077 1.00 0.00 N ATOM 0 H ARG A 368 0.854 5.548 -6.252 1.00 0.00 H new ATOM 0 HA ARG A 368 0.602 7.031 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -0.503 4.855 -7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -1.544 5.780 -6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -2.464 7.037 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -1.337 6.264 -9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -3.460 4.783 -8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -3.646 5.251 -9.982 1.00 0.00 H new ATOM 0 HE ARG A 368 -2.034 3.039 -8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -2.568 5.014 -11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -1.835 3.789 -12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -1.143 1.580 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -1.060 1.922 -12.021 1.00 0.00 H new ATOM 479 N ARG A 369 -0.843 8.478 -6.085 1.00 0.00 N ATOM 480 CA ARG A 369 -1.369 9.782 -5.635 1.00 0.00 C ATOM 481 C ARG A 369 -0.321 10.899 -5.676 1.00 0.00 C ATOM 482 O ARG A 369 -0.620 12.028 -6.053 1.00 0.00 O ATOM 483 CB ARG A 369 -2.052 9.655 -4.247 1.00 0.00 C ATOM 484 CG ARG A 369 -1.238 10.200 -3.051 1.00 0.00 C ATOM 485 CD ARG A 369 -1.721 9.757 -1.671 1.00 0.00 C ATOM 486 NE ARG A 369 -3.158 10.001 -1.440 1.00 0.00 N ATOM 487 CZ ARG A 369 -3.838 9.672 -0.356 1.00 0.00 C ATOM 488 NH1 ARG A 369 -3.276 9.077 0.659 1.00 0.00 N ATOM 489 NH2 ARG A 369 -5.108 9.944 -0.266 1.00 0.00 N ATOM 0 H ARG A 369 -0.866 7.751 -5.370 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.133 10.083 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -3.007 10.179 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -2.272 8.603 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -0.199 9.891 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -1.253 11.289 -3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -1.518 8.693 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 369 -1.145 10.281 -0.908 1.00 0.00 H new ATOM 0 HE ARG A 369 -3.674 10.467 -2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 369 -2.282 8.852 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -3.831 8.837 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -5.585 10.414 -1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -5.626 9.687 0.574 1.00 0.00 H new ATOM 503 N GLU A 370 0.903 10.572 -5.274 1.00 0.00 N ATOM 504 CA GLU A 370 2.042 11.482 -5.160 1.00 0.00 C ATOM 505 C GLU A 370 2.502 11.979 -6.531 1.00 0.00 C ATOM 506 O GLU A 370 2.621 13.180 -6.769 1.00 0.00 O ATOM 507 CB GLU A 370 3.163 10.709 -4.462 1.00 0.00 C ATOM 508 CG GLU A 370 4.456 11.474 -4.196 1.00 0.00 C ATOM 509 CD GLU A 370 5.337 10.671 -3.213 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.561 9.455 -3.434 1.00 0.00 O ATOM 511 OE2 GLU A 370 5.756 11.221 -2.166 1.00 0.00 O ATOM 0 H GLU A 370 1.141 9.617 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 370 1.761 12.367 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 370 2.782 10.342 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.403 9.835 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 370 4.992 11.639 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.231 12.456 -3.780 1.00 0.00 H new ATOM 518 N GLN A 371 2.714 11.035 -7.451 1.00 0.00 N ATOM 519 CA GLN A 371 3.075 11.326 -8.843 1.00 0.00 C ATOM 520 C GLN A 371 1.935 12.055 -9.578 1.00 0.00 C ATOM 521 O GLN A 371 2.199 12.899 -10.440 1.00 0.00 O ATOM 522 CB GLN A 371 3.454 10.029 -9.580 1.00 0.00 C ATOM 523 CG GLN A 371 4.772 9.409 -9.078 1.00 0.00 C ATOM 524 CD GLN A 371 5.997 10.278 -9.362 1.00 0.00 C ATOM 525 OE1 GLN A 371 6.233 10.738 -10.473 1.00 0.00 O ATOM 526 NE2 GLN A 371 6.829 10.546 -8.376 1.00 0.00 N ATOM 0 H GLN A 371 2.640 10.038 -7.250 1.00 0.00 H new ATOM 0 HA GLN A 371 3.940 11.989 -8.834 1.00 0.00 H new ATOM 0 HB2 GLN A 371 2.650 9.303 -9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 371 3.541 10.237 -10.647 1.00 0.00 H new ATOM 0 HG2 GLN A 371 4.698 9.237 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 371 4.909 8.435 -9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 371 6.651 10.173 -7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 371 7.651 11.126 -8.545 1.00 0.00 H new ATOM 535 N ALA A 372 0.672 11.769 -9.228 1.00 0.00 N ATOM 536 CA ALA A 372 -0.495 12.442 -9.814 1.00 0.00 C ATOM 537 C ALA A 372 -0.645 13.902 -9.329 1.00 0.00 C ATOM 538 O ALA A 372 -1.033 14.774 -10.111 1.00 0.00 O ATOM 539 CB ALA A 372 -1.759 11.629 -9.511 1.00 0.00 C ATOM 0 H ALA A 372 0.432 11.064 -8.531 1.00 0.00 H new ATOM 0 HA ALA A 372 -0.344 12.494 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -2.625 12.128 -9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -1.662 10.632 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -1.890 11.549 -8.432 1.00 0.00 H new ATOM 652 N LEU A 381 4.567 8.657 6.737 1.00 0.00 N ATOM 653 CA LEU A 381 5.354 7.484 7.148 1.00 0.00 C ATOM 654 C LEU A 381 6.729 7.438 6.436 1.00 0.00 C ATOM 655 O LEU A 381 6.778 7.625 5.214 1.00 0.00 O ATOM 656 CB LEU A 381 4.596 6.154 6.907 1.00 0.00 C ATOM 657 CG LEU A 381 3.056 6.149 6.985 1.00 0.00 C ATOM 658 CD1 LEU A 381 2.524 4.762 6.616 1.00 0.00 C ATOM 659 CD2 LEU A 381 2.559 6.494 8.391 1.00 0.00 C ATOM 0 HA LEU A 381 5.518 7.593 8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 381 4.877 5.789 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 381 4.965 5.428 7.632 1.00 0.00 H new ATOM 0 HG LEU A 381 2.693 6.903 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 381 1.435 4.763 6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 381 2.835 4.511 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 381 2.923 4.023 7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 381 1.469 6.480 8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.941 5.761 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 381 2.913 7.487 8.669 1.00 0.00 H new ATOM 671 N PRO A 382 7.844 7.160 7.142 1.00 0.00 N ATOM 672 CA PRO A 382 9.166 7.069 6.517 1.00 0.00 C ATOM 673 C PRO A 382 9.361 5.753 5.736 1.00 0.00 C ATOM 674 O PRO A 382 9.964 5.750 4.662 1.00 0.00 O ATOM 675 CB PRO A 382 10.154 7.186 7.683 1.00 0.00 C ATOM 676 CG PRO A 382 9.398 6.583 8.870 1.00 0.00 C ATOM 677 CD PRO A 382 7.937 6.935 8.580 1.00 0.00 C ATOM 0 HA PRO A 382 9.310 7.851 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 382 11.077 6.643 7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.429 8.224 7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.546 5.505 8.934 1.00 0.00 H new ATOM 0 HG3 PRO A 382 9.733 7.008 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.274 6.127 8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.635 7.825 9.132 1.00 0.00 H new ATOM 685 N HIS A 383 8.835 4.635 6.255 1.00 0.00 N ATOM 686 CA HIS A 383 8.953 3.296 5.655 1.00 0.00 C ATOM 687 C HIS A 383 8.166 3.130 4.337 1.00 0.00 C ATOM 688 O HIS A 383 8.486 2.263 3.518 1.00 0.00 O ATOM 689 CB HIS A 383 8.530 2.250 6.703 1.00 0.00 C ATOM 690 CG HIS A 383 9.255 0.936 6.558 1.00 0.00 C ATOM 691 ND1 HIS A 383 9.427 0.221 5.396 1.00 0.00 N ATOM 692 CD2 HIS A 383 9.924 0.262 7.545 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.186 -0.852 5.671 1.00 0.00 C ATOM 694 NE2 HIS A 383 10.511 -0.876 6.975 1.00 0.00 N ATOM 0 H HIS A 383 8.302 4.635 7.125 1.00 0.00 H new ATOM 0 HA HIS A 383 9.995 3.148 5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 383 8.713 2.650 7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 383 7.457 2.076 6.621 1.00 0.00 H new ATOM 0 HD1 HIS A 383 9.044 0.464 4.482 1.00 0.00 H new ATOM 0 HD2 HIS A 383 9.988 0.556 8.582 1.00 0.00 H new ATOM 0 HE1 HIS A 383 10.492 -1.592 4.946 1.00 0.00 H new ATOM 702 N CYS A 384 7.163 3.987 4.115 1.00 0.00 N ATOM 703 CA CYS A 384 6.332 4.049 2.913 1.00 0.00 C ATOM 704 C CYS A 384 7.194 4.187 1.642 1.00 0.00 C ATOM 705 O CYS A 384 7.043 3.423 0.688 1.00 0.00 O ATOM 706 CB CYS A 384 5.372 5.229 3.144 1.00 0.00 C ATOM 707 SG CYS A 384 4.417 5.699 1.682 1.00 0.00 S ATOM 0 H CYS A 384 6.898 4.690 4.805 1.00 0.00 H new ATOM 0 HA CYS A 384 5.766 3.133 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.683 4.971 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 384 5.947 6.091 3.482 1.00 0.00 H new ATOM 0 HG CYS A 384 3.288 5.055 1.676 1.00 0.00 H new ATOM 712 N ARG A 385 8.156 5.122 1.648 1.00 0.00 N ATOM 713 CA ARG A 385 9.085 5.368 0.527 1.00 0.00 C ATOM 714 C ARG A 385 10.044 4.197 0.281 1.00 0.00 C ATOM 715 O ARG A 385 10.371 3.904 -0.868 1.00 0.00 O ATOM 716 CB ARG A 385 9.814 6.710 0.735 1.00 0.00 C ATOM 717 CG ARG A 385 8.995 7.927 0.255 1.00 0.00 C ATOM 718 CD ARG A 385 7.627 8.075 0.941 1.00 0.00 C ATOM 719 NE ARG A 385 6.894 9.275 0.490 1.00 0.00 N ATOM 720 CZ ARG A 385 5.840 9.803 1.086 1.00 0.00 C ATOM 721 NH1 ARG A 385 5.396 9.355 2.225 1.00 0.00 N ATOM 722 NH2 ARG A 385 5.188 10.771 0.518 1.00 0.00 N ATOM 0 H ARG A 385 8.316 5.740 2.443 1.00 0.00 H new ATOM 0 HA ARG A 385 8.499 5.442 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 385 10.045 6.830 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 385 10.764 6.686 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 385 9.576 8.833 0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 385 8.843 7.847 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.025 7.189 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 385 7.769 8.125 2.021 1.00 0.00 H new ATOM 0 HE ARG A 385 7.231 9.736 -0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 385 5.865 8.574 2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 385 4.579 9.785 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 385 5.489 11.125 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 385 4.374 11.178 0.980 1.00 0.00 H new ATOM 736 N THR A 386 10.425 3.468 1.328 1.00 0.00 N ATOM 737 CA THR A 386 11.241 2.247 1.224 1.00 0.00 C ATOM 738 C THR A 386 10.432 1.163 0.516 1.00 0.00 C ATOM 739 O THR A 386 10.914 0.554 -0.438 1.00 0.00 O ATOM 740 CB THR A 386 11.706 1.754 2.606 1.00 0.00 C ATOM 741 OG1 THR A 386 12.348 2.809 3.291 1.00 0.00 O ATOM 742 CG2 THR A 386 12.702 0.598 2.505 1.00 0.00 C ATOM 0 H THR A 386 10.175 3.707 2.288 1.00 0.00 H new ATOM 0 HA THR A 386 12.136 2.477 0.646 1.00 0.00 H new ATOM 0 HB THR A 386 10.817 1.410 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.643 2.496 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.000 0.286 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.235 -0.240 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.582 0.923 1.949 1.00 0.00 H new ATOM 750 N MET A 387 9.167 0.959 0.905 1.00 0.00 N ATOM 751 CA MET A 387 8.284 0.016 0.212 1.00 0.00 C ATOM 752 C MET A 387 7.995 0.470 -1.226 1.00 0.00 C ATOM 753 O MET A 387 7.955 -0.383 -2.106 1.00 0.00 O ATOM 754 CB MET A 387 6.985 -0.211 0.998 1.00 0.00 C ATOM 755 CG MET A 387 6.985 -1.564 1.716 1.00 0.00 C ATOM 756 SD MET A 387 8.121 -1.788 3.109 1.00 0.00 S ATOM 757 CE MET A 387 9.552 -2.525 2.265 1.00 0.00 C ATOM 0 H MET A 387 8.733 1.435 1.696 1.00 0.00 H new ATOM 0 HA MET A 387 8.806 -0.939 0.154 1.00 0.00 H new ATOM 0 HB2 MET A 387 6.857 0.588 1.728 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.135 -0.160 0.318 1.00 0.00 H new ATOM 0 HG2 MET A 387 5.973 -1.750 2.077 1.00 0.00 H new ATOM 0 HG3 MET A 387 7.207 -2.334 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 387 10.130 -3.114 2.977 1.00 0.00 H new ATOM 0 HE2 MET A 387 9.206 -3.169 1.457 1.00 0.00 H new ATOM 0 HE3 MET A 387 10.180 -1.734 1.855 1.00 0.00 H new ATOM 767 N LYS A 388 7.859 1.774 -1.525 1.00 0.00 N ATOM 768 CA LYS A 388 7.732 2.247 -2.915 1.00 0.00 C ATOM 769 C LYS A 388 8.981 1.896 -3.726 1.00 0.00 C ATOM 770 O LYS A 388 8.853 1.471 -4.870 1.00 0.00 O ATOM 771 CB LYS A 388 7.504 3.756 -2.924 1.00 0.00 C ATOM 772 CG LYS A 388 6.088 4.139 -2.474 1.00 0.00 C ATOM 773 CD LYS A 388 6.006 5.655 -2.327 1.00 0.00 C ATOM 774 CE LYS A 388 4.704 6.135 -1.675 1.00 0.00 C ATOM 775 NZ LYS A 388 4.701 7.612 -1.564 1.00 0.00 N ATOM 0 H LYS A 388 7.834 2.516 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 388 6.879 1.750 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.232 4.234 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.679 4.141 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.355 3.791 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.851 3.656 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.851 6.001 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 388 6.101 6.114 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 388 3.850 5.806 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 388 4.598 5.689 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.742 7.941 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.360 7.905 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.999 8.029 -2.469 1.00 0.00 H new ATOM 789 N ASN A 389 10.175 2.007 -3.136 1.00 0.00 N ATOM 790 CA ASN A 389 11.424 1.611 -3.807 1.00 0.00 C ATOM 791 C ASN A 389 11.434 0.094 -4.107 1.00 0.00 C ATOM 792 O ASN A 389 11.756 -0.324 -5.221 1.00 0.00 O ATOM 793 CB ASN A 389 12.626 2.058 -2.960 1.00 0.00 C ATOM 794 CG ASN A 389 13.947 1.766 -3.655 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.198 2.196 -4.772 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.831 1.024 -3.026 1.00 0.00 N ATOM 0 H ASN A 389 10.306 2.369 -2.191 1.00 0.00 H new ATOM 0 HA ASN A 389 11.495 2.111 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.550 3.126 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.602 1.548 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.724 0.808 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.624 0.664 -2.094 1.00 0.00 H new ATOM 803 N VAL A 390 11.001 -0.725 -3.143 1.00 0.00 N ATOM 804 CA VAL A 390 10.823 -2.185 -3.295 1.00 0.00 C ATOM 805 C VAL A 390 9.794 -2.496 -4.383 1.00 0.00 C ATOM 806 O VAL A 390 9.991 -3.428 -5.154 1.00 0.00 O ATOM 807 CB VAL A 390 10.361 -2.786 -1.951 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.833 -4.226 -2.020 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.496 -2.764 -0.931 1.00 0.00 C ATOM 0 H VAL A 390 10.757 -0.390 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 390 11.776 -2.626 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 390 9.527 -2.149 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.535 -4.552 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.972 -4.266 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.616 -4.883 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.149 -3.192 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.335 -3.349 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.816 -1.735 -0.765 1.00 0.00 H new ATOM 819 N LEU A 391 8.710 -1.724 -4.478 1.00 0.00 N ATOM 820 CA LEU A 391 7.671 -1.907 -5.493 1.00 0.00 C ATOM 821 C LEU A 391 8.177 -1.499 -6.889 1.00 0.00 C ATOM 822 O LEU A 391 7.943 -2.213 -7.862 1.00 0.00 O ATOM 823 CB LEU A 391 6.399 -1.156 -5.060 1.00 0.00 C ATOM 824 CG LEU A 391 5.097 -1.918 -5.353 1.00 0.00 C ATOM 825 CD1 LEU A 391 3.937 -1.156 -4.720 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.806 -2.083 -6.844 1.00 0.00 C ATOM 0 H LEU A 391 8.527 -0.945 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 391 7.416 -2.964 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.456 -0.951 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.367 -0.192 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 391 5.214 -2.918 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.004 -1.683 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 391 4.092 -1.086 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.885 -0.154 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 391 3.872 -2.630 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.719 -1.101 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.619 -2.636 -7.314 1.00 0.00 H new ATOM 838 N ASN A 392 8.944 -0.410 -6.995 1.00 0.00 N ATOM 839 CA ASN A 392 9.593 -0.017 -8.251 1.00 0.00 C ATOM 840 C ASN A 392 10.518 -1.158 -8.718 1.00 0.00 C ATOM 841 O ASN A 392 10.494 -1.557 -9.890 1.00 0.00 O ATOM 842 CB ASN A 392 10.380 1.296 -8.065 1.00 0.00 C ATOM 843 CG ASN A 392 9.522 2.524 -7.782 1.00 0.00 C ATOM 844 OD1 ASN A 392 8.337 2.592 -8.076 1.00 0.00 O ATOM 845 ND2 ASN A 392 10.116 3.558 -7.227 1.00 0.00 N ATOM 0 H ASN A 392 9.133 0.222 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 392 8.836 0.161 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 392 11.085 1.167 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.968 1.481 -8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 392 9.588 4.411 -7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 392 11.104 3.506 -6.980 1.00 0.00 H new ATOM 852 N HIS A 393 11.276 -1.748 -7.785 1.00 0.00 N ATOM 853 CA HIS A 393 12.127 -2.888 -8.081 1.00 0.00 C ATOM 854 C HIS A 393 11.281 -4.074 -8.532 1.00 0.00 C ATOM 855 O HIS A 393 11.473 -4.547 -9.643 1.00 0.00 O ATOM 856 CB HIS A 393 12.987 -3.265 -6.869 1.00 0.00 C ATOM 857 CG HIS A 393 13.809 -4.503 -7.147 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.337 -5.783 -7.042 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 15.013 -4.576 -7.814 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 14.226 -6.642 -7.701 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 15.238 -5.867 -8.129 1.00 0.00 N flip ATOM 0 H HIS A 393 11.311 -1.444 -6.812 1.00 0.00 H new ATOM 0 HA HIS A 393 12.800 -2.610 -8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.648 -2.436 -6.616 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.346 -3.437 -6.004 1.00 0.00 H new ATOM 0 HD1 HIS A 393 12.481 -6.065 -6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.662 -3.744 -8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.120 -7.708 -7.837 1.00 0.00 H new ATOM 869 N MET A 394 10.338 -4.542 -7.706 1.00 0.00 N ATOM 870 CA MET A 394 9.513 -5.720 -8.015 1.00 0.00 C ATOM 871 C MET A 394 8.709 -5.587 -9.315 1.00 0.00 C ATOM 872 O MET A 394 8.415 -6.608 -9.940 1.00 0.00 O ATOM 873 CB MET A 394 8.631 -6.148 -6.825 1.00 0.00 C ATOM 874 CG MET A 394 7.367 -5.317 -6.611 1.00 0.00 C ATOM 875 SD MET A 394 5.789 -6.175 -6.833 1.00 0.00 S ATOM 876 CE MET A 394 5.618 -6.808 -5.145 1.00 0.00 C ATOM 0 H MET A 394 10.124 -4.116 -6.804 1.00 0.00 H new ATOM 0 HA MET A 394 10.222 -6.528 -8.193 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.341 -7.189 -6.966 1.00 0.00 H new ATOM 0 HB3 MET A 394 9.231 -6.105 -5.916 1.00 0.00 H new ATOM 0 HG2 MET A 394 7.394 -4.909 -5.601 1.00 0.00 H new ATOM 0 HG3 MET A 394 7.395 -4.471 -7.298 1.00 0.00 H new ATOM 0 HE1 MET A 394 4.631 -7.255 -5.022 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.383 -7.562 -4.960 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.736 -5.989 -4.436 1.00 0.00 H new ATOM 886 N THR A 395 8.378 -4.361 -9.747 1.00 0.00 N ATOM 887 CA THR A 395 7.688 -4.146 -11.034 1.00 0.00 C ATOM 888 C THR A 395 8.667 -4.199 -12.218 1.00 0.00 C ATOM 889 O THR A 395 8.341 -4.789 -13.252 1.00 0.00 O ATOM 890 CB THR A 395 6.753 -2.922 -11.037 1.00 0.00 C ATOM 891 OG1 THR A 395 5.781 -3.087 -12.047 1.00 0.00 O ATOM 892 CG2 THR A 395 7.410 -1.566 -11.277 1.00 0.00 C ATOM 0 H THR A 395 8.575 -3.505 -9.229 1.00 0.00 H new ATOM 0 HA THR A 395 7.008 -4.987 -11.170 1.00 0.00 H new ATOM 0 HB THR A 395 6.348 -2.895 -10.025 1.00 0.00 H new ATOM 0 HG1 THR A 395 5.181 -2.312 -12.054 1.00 0.00 H new ATOM 0 HG21 THR A 395 6.650 -0.785 -11.256 1.00 0.00 H new ATOM 0 HG22 THR A 395 8.147 -1.376 -10.497 1.00 0.00 H new ATOM 0 HG23 THR A 395 7.902 -1.567 -12.249 1.00 0.00 H new ATOM 900 N HIS A 396 9.893 -3.664 -12.072 1.00 0.00 N ATOM 901 CA HIS A 396 10.933 -3.785 -13.116 1.00 0.00 C ATOM 902 C HIS A 396 11.618 -5.176 -13.137 1.00 0.00 C ATOM 903 O HIS A 396 12.209 -5.561 -14.151 1.00 0.00 O ATOM 904 CB HIS A 396 11.982 -2.676 -12.944 1.00 0.00 C ATOM 905 CG HIS A 396 11.458 -1.304 -13.294 1.00 0.00 C ATOM 906 ND1 HIS A 396 10.776 -0.459 -12.453 1.00 0.00 N ATOM 907 CD2 HIS A 396 11.550 -0.672 -14.506 1.00 0.00 C ATOM 908 CE1 HIS A 396 10.456 0.654 -13.130 1.00 0.00 C ATOM 909 NE2 HIS A 396 10.911 0.573 -14.395 1.00 0.00 N ATOM 0 H HIS A 396 10.189 -3.145 -11.245 1.00 0.00 H new ATOM 0 HA HIS A 396 10.430 -3.674 -14.077 1.00 0.00 H new ATOM 0 HB2 HIS A 396 12.332 -2.672 -11.912 1.00 0.00 H new ATOM 0 HB3 HIS A 396 12.845 -2.900 -13.572 1.00 0.00 H new ATOM 0 HD1 HIS A 396 10.550 -0.647 -11.476 1.00 0.00 H new ATOM 0 HD2 HIS A 396 12.030 -1.063 -15.391 1.00 0.00 H new ATOM 0 HE1 HIS A 396 9.913 1.493 -12.720 1.00 0.00 H new ATOM 917 N CYS A 397 11.553 -5.919 -12.026 1.00 0.00 N ATOM 918 CA CYS A 397 12.127 -7.245 -11.797 1.00 0.00 C ATOM 919 C CYS A 397 11.647 -8.289 -12.825 1.00 0.00 C ATOM 920 O CYS A 397 10.501 -8.252 -13.287 1.00 0.00 O ATOM 921 CB CYS A 397 11.764 -7.635 -10.355 1.00 0.00 C ATOM 922 SG CYS A 397 12.606 -9.130 -9.788 1.00 0.00 S ATOM 0 H CYS A 397 11.058 -5.580 -11.201 1.00 0.00 H new ATOM 0 HA CYS A 397 13.209 -7.217 -11.929 1.00 0.00 H new ATOM 0 HB2 CYS A 397 12.015 -6.810 -9.688 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.686 -7.784 -10.286 1.00 0.00 H new ATOM 0 HG CYS A 397 12.490 -9.231 -8.497 1.00 0.00 H new ATOM 927 N GLN A 398 12.532 -9.233 -13.163 1.00 0.00 N ATOM 928 CA GLN A 398 12.272 -10.301 -14.138 1.00 0.00 C ATOM 929 C GLN A 398 12.185 -11.703 -13.517 1.00 0.00 C ATOM 930 O GLN A 398 11.611 -12.605 -14.135 1.00 0.00 O ATOM 931 CB GLN A 398 13.321 -10.247 -15.263 1.00 0.00 C ATOM 932 CG GLN A 398 13.246 -8.944 -16.081 1.00 0.00 C ATOM 933 CD GLN A 398 14.297 -8.888 -17.191 1.00 0.00 C ATOM 934 OE1 GLN A 398 14.483 -9.815 -17.971 1.00 0.00 O ATOM 935 NE2 GLN A 398 15.032 -7.800 -17.314 1.00 0.00 N ATOM 0 H GLN A 398 13.468 -9.278 -12.759 1.00 0.00 H new ATOM 0 HA GLN A 398 11.282 -10.115 -14.554 1.00 0.00 H new ATOM 0 HB2 GLN A 398 14.317 -10.343 -14.831 1.00 0.00 H new ATOM 0 HB3 GLN A 398 13.179 -11.098 -15.929 1.00 0.00 H new ATOM 0 HG2 GLN A 398 12.253 -8.851 -16.520 1.00 0.00 H new ATOM 0 HG3 GLN A 398 13.380 -8.092 -15.414 1.00 0.00 H new ATOM 0 HE21 GLN A 398 14.894 -7.016 -16.676 1.00 0.00 H new ATOM 0 HE22 GLN A 398 15.738 -7.742 -18.047 1.00 0.00 H new ATOM 944 N ALA A 399 12.688 -11.897 -12.294 1.00 0.00 N ATOM 945 CA ALA A 399 12.564 -13.167 -11.578 1.00 0.00 C ATOM 946 C ALA A 399 11.285 -13.229 -10.736 1.00 0.00 C ATOM 947 O ALA A 399 10.610 -14.259 -10.726 1.00 0.00 O ATOM 948 CB ALA A 399 13.760 -13.364 -10.643 1.00 0.00 C ATOM 0 H ALA A 399 13.192 -11.178 -11.774 1.00 0.00 H new ATOM 0 HA ALA A 399 12.529 -13.953 -12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 399 13.657 -14.312 -10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 399 14.681 -13.371 -11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 399 13.795 -12.549 -9.920 1.00 0.00 H new ATOM 954 N PRO A 400 10.984 -12.141 -10.018 1.00 0.00 N ATOM 955 CA PRO A 400 9.876 -11.971 -9.067 1.00 0.00 C ATOM 956 C PRO A 400 9.857 -12.970 -7.891 1.00 0.00 C ATOM 957 O PRO A 400 10.060 -12.596 -6.737 1.00 0.00 O ATOM 961 N LYS A 401 9.646 -14.255 -8.190 1.00 0.00 N ATOM 962 CA LYS A 401 9.616 -15.401 -7.254 1.00 0.00 C ATOM 963 C LYS A 401 11.028 -15.872 -6.888 1.00 0.00 C ATOM 964 O LYS A 401 11.341 -16.118 -5.726 1.00 0.00 O ATOM 965 CB LYS A 401 8.820 -16.557 -7.896 1.00 0.00 C ATOM 966 CG LYS A 401 7.320 -16.267 -8.100 1.00 0.00 C ATOM 967 CD LYS A 401 6.488 -16.469 -6.824 1.00 0.00 C ATOM 968 CE LYS A 401 5.009 -16.170 -7.109 1.00 0.00 C ATOM 969 NZ LYS A 401 4.141 -16.522 -5.954 1.00 0.00 N ATOM 0 H LYS A 401 9.480 -14.550 -9.152 1.00 0.00 H new ATOM 0 HA LYS A 401 9.131 -15.080 -6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 401 9.265 -16.795 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 401 8.924 -17.444 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 401 7.198 -15.241 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 401 6.934 -16.917 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 401 6.598 -17.493 -6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 401 6.854 -15.814 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 401 4.891 -15.112 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 401 4.688 -16.729 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 3.237 -16.014 -6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 3.964 -17.547 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 4.615 -16.252 -5.069 1.00 0.00 H new ATOM 983 N ALA A 402 11.878 -15.971 -7.914 1.00 0.00 N ATOM 984 CA ALA A 402 13.283 -16.376 -7.860 1.00 0.00 C ATOM 985 C ALA A 402 14.229 -15.251 -7.383 1.00 0.00 C ATOM 986 O ALA A 402 15.414 -15.501 -7.151 1.00 0.00 O ATOM 987 CB ALA A 402 13.687 -16.975 -9.217 1.00 0.00 C ATOM 0 H ALA A 402 11.582 -15.756 -8.866 1.00 0.00 H new ATOM 0 HA ALA A 402 13.390 -17.146 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 402 14.733 -17.279 -9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 402 13.064 -17.843 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 402 13.551 -16.228 -9.999 1.00 0.00 H new ATOM 993 N CYS A 403 13.724 -14.011 -7.264 1.00 0.00 N ATOM 994 CA CYS A 403 14.410 -12.794 -6.843 1.00 0.00 C ATOM 995 C CYS A 403 14.584 -12.771 -5.328 1.00 0.00 C ATOM 996 O CYS A 403 14.132 -11.881 -4.611 1.00 0.00 O ATOM 997 CB CYS A 403 13.730 -11.517 -7.317 1.00 0.00 C ATOM 998 SG CYS A 403 14.929 -10.147 -7.201 1.00 0.00 S ATOM 0 H CYS A 403 12.744 -13.828 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 403 15.389 -12.818 -7.323 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.383 -11.631 -8.344 1.00 0.00 H new ATOM 0 HB3 CYS A 403 12.853 -11.306 -6.706 1.00 0.00 H new ATOM 0 HG CYS A 403 15.344 -10.036 -5.974 1.00 0.00 H new ATOM 1003 N GLN A 404 15.241 -13.830 -4.889 1.00 0.00 N ATOM 1004 CA GLN A 404 15.727 -14.186 -3.552 1.00 0.00 C ATOM 1005 C GLN A 404 16.278 -13.011 -2.710 1.00 0.00 C ATOM 1006 O GLN A 404 16.497 -13.188 -1.509 1.00 0.00 O ATOM 1007 CB GLN A 404 16.749 -15.332 -3.679 1.00 0.00 C ATOM 1008 CG GLN A 404 18.049 -14.911 -4.391 1.00 0.00 C ATOM 1009 CD GLN A 404 19.012 -16.078 -4.626 1.00 0.00 C ATOM 1010 OE1 GLN A 404 19.099 -17.034 -3.863 1.00 0.00 O ATOM 1011 NE2 GLN A 404 19.782 -16.049 -5.695 1.00 0.00 N ATOM 0 H GLN A 404 15.483 -14.568 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 404 14.857 -14.513 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 404 16.992 -15.705 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 404 16.294 -16.157 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 404 17.800 -14.455 -5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 404 18.551 -14.148 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 404 19.726 -15.263 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 404 20.434 -16.812 -5.875 1.00 0.00 H new ATOM 1020 N VAL A 405 16.460 -11.817 -3.301 1.00 0.00 N ATOM 1021 CA VAL A 405 16.790 -10.572 -2.584 1.00 0.00 C ATOM 1022 C VAL A 405 15.718 -10.392 -1.506 1.00 0.00 C ATOM 1023 O VAL A 405 14.535 -10.321 -1.837 1.00 0.00 O ATOM 1024 CB VAL A 405 16.768 -9.356 -3.533 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.116 -8.059 -2.792 1.00 0.00 C ATOM 1026 CG2 VAL A 405 17.761 -9.514 -4.686 1.00 0.00 C ATOM 0 H VAL A 405 16.380 -11.688 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 405 17.792 -10.637 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 405 15.753 -9.304 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.091 -7.223 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.391 -7.889 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.114 -8.142 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 405 17.713 -8.636 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 405 18.770 -9.616 -4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.508 -10.403 -5.265 1.00 0.00 H new ATOM 1036 N ALA A 406 16.113 -10.368 -0.231 1.00 0.00 N ATOM 1037 CA ALA A 406 15.221 -10.338 0.935 1.00 0.00 C ATOM 1038 C ALA A 406 13.901 -9.571 0.740 1.00 0.00 C ATOM 1039 O ALA A 406 12.812 -10.155 0.808 1.00 0.00 O ATOM 1040 CB ALA A 406 16.023 -9.794 2.124 1.00 0.00 C ATOM 0 H ALA A 406 17.099 -10.369 0.030 1.00 0.00 H new ATOM 0 HA ALA A 406 14.886 -11.360 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 406 15.386 -9.760 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.875 -10.446 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 406 16.379 -8.790 1.894 1.00 0.00 H new ATOM 1046 N HIS A 407 14.007 -8.268 0.474 1.00 0.00 N ATOM 1047 CA HIS A 407 12.849 -7.399 0.285 1.00 0.00 C ATOM 1048 C HIS A 407 11.983 -7.772 -0.926 1.00 0.00 C ATOM 1049 O HIS A 407 10.768 -7.837 -0.771 1.00 0.00 O ATOM 1050 CB HIS A 407 13.279 -5.923 0.262 1.00 0.00 C ATOM 1051 CG HIS A 407 14.242 -5.513 -0.833 1.00 0.00 C ATOM 1052 ND1 HIS A 407 13.965 -5.384 -2.178 1.00 0.00 N ATOM 1053 CD2 HIS A 407 15.535 -5.097 -0.654 1.00 0.00 C ATOM 1054 CE1 HIS A 407 15.066 -4.920 -2.795 1.00 0.00 C ATOM 1055 NE2 HIS A 407 16.053 -4.728 -1.902 1.00 0.00 N ATOM 0 H HIS A 407 14.902 -7.786 0.384 1.00 0.00 H new ATOM 0 HA HIS A 407 12.200 -7.555 1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.383 -5.309 0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 407 13.736 -5.686 1.223 1.00 0.00 H new ATOM 0 HD2 HIS A 407 16.064 -5.060 0.287 1.00 0.00 H new ATOM 0 HE1 HIS A 407 15.146 -4.729 -3.855 1.00 0.00 H new ATOM 0 HE2 HIS A 407 16.993 -4.382 -2.095 1.00 0.00 H new ATOM 1063 N CYS A 408 12.561 -8.044 -2.105 1.00 0.00 N ATOM 1064 CA CYS A 408 11.785 -8.376 -3.306 1.00 0.00 C ATOM 1065 C CYS A 408 11.111 -9.755 -3.197 1.00 0.00 C ATOM 1066 O CYS A 408 9.901 -9.852 -3.421 1.00 0.00 O ATOM 1067 CB CYS A 408 12.698 -8.294 -4.539 1.00 0.00 C ATOM 1068 SG CYS A 408 11.753 -8.593 -6.072 1.00 0.00 S ATOM 0 H CYS A 408 13.570 -8.040 -2.251 1.00 0.00 H new ATOM 0 HA CYS A 408 10.979 -7.650 -3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.169 -7.312 -4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.499 -9.028 -4.452 1.00 0.00 H new ATOM 0 HG CYS A 408 10.960 -7.587 -6.296 1.00 0.00 H new ATOM 1073 N ALA A 409 11.847 -10.796 -2.788 1.00 0.00 N ATOM 1074 CA ALA A 409 11.284 -12.132 -2.578 1.00 0.00 C ATOM 1075 C ALA A 409 10.129 -12.066 -1.567 1.00 0.00 C ATOM 1076 O ALA A 409 9.058 -12.637 -1.810 1.00 0.00 O ATOM 1077 CB ALA A 409 12.370 -13.116 -2.118 1.00 0.00 C ATOM 0 H ALA A 409 12.847 -10.734 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 409 10.889 -12.498 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 409 11.928 -14.101 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.149 -13.179 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.804 -12.767 -1.181 1.00 0.00 H new ATOM 1083 N SER A 410 10.316 -11.337 -0.456 1.00 0.00 N ATOM 1084 CA SER A 410 9.241 -11.139 0.521 1.00 0.00 C ATOM 1085 C SER A 410 8.060 -10.414 -0.127 1.00 0.00 C ATOM 1086 O SER A 410 6.951 -10.932 -0.050 1.00 0.00 O ATOM 1087 CB SER A 410 9.715 -10.365 1.756 1.00 0.00 C ATOM 1088 OG SER A 410 10.722 -11.087 2.443 1.00 0.00 O ATOM 0 H SER A 410 11.195 -10.879 -0.215 1.00 0.00 H new ATOM 0 HA SER A 410 8.924 -12.127 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 410 10.100 -9.391 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.872 -10.183 2.423 1.00 0.00 H new ATOM 0 HG SER A 410 11.590 -10.924 2.017 1.00 0.00 H new ATOM 1094 N SER A 411 8.293 -9.274 -0.799 1.00 0.00 N ATOM 1095 CA SER A 411 7.282 -8.443 -1.482 1.00 0.00 C ATOM 1096 C SER A 411 6.410 -9.219 -2.467 1.00 0.00 C ATOM 1097 O SER A 411 5.181 -9.129 -2.421 1.00 0.00 O ATOM 1098 CB SER A 411 7.954 -7.236 -2.183 1.00 0.00 C ATOM 1099 OG SER A 411 8.417 -7.496 -3.493 1.00 0.00 O ATOM 0 H SER A 411 9.233 -8.888 -0.886 1.00 0.00 H new ATOM 0 HA SER A 411 6.609 -8.085 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.241 -6.412 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.795 -6.902 -1.575 1.00 0.00 H new ATOM 0 HG SER A 411 8.932 -8.330 -3.499 1.00 0.00 H new ATOM 1105 N ARG A 412 7.021 -10.016 -3.345 1.00 0.00 N ATOM 1106 CA ARG A 412 6.289 -10.808 -4.328 1.00 0.00 C ATOM 1107 C ARG A 412 5.540 -11.952 -3.652 1.00 0.00 C ATOM 1108 O ARG A 412 4.397 -12.194 -4.026 1.00 0.00 O ATOM 1109 CB ARG A 412 7.253 -11.275 -5.428 1.00 0.00 C ATOM 1110 CG ARG A 412 7.488 -10.170 -6.480 1.00 0.00 C ATOM 1111 CD ARG A 412 6.538 -10.321 -7.677 1.00 0.00 C ATOM 1112 NE ARG A 412 6.947 -9.471 -8.816 1.00 0.00 N ATOM 1113 CZ ARG A 412 6.699 -9.691 -10.095 1.00 0.00 C ATOM 1114 NH1 ARG A 412 5.984 -10.702 -10.505 1.00 0.00 N ATOM 1115 NH2 ARG A 412 7.177 -8.893 -11.001 1.00 0.00 N ATOM 0 H ARG A 412 8.034 -10.129 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 412 5.525 -10.196 -4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.205 -11.562 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 412 6.849 -12.163 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.343 -9.192 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.521 -10.210 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 412 6.514 -11.364 -7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 412 5.525 -10.057 -7.372 1.00 0.00 H new ATOM 0 HE ARG A 412 7.475 -8.628 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 412 5.593 -11.358 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 412 5.816 -10.837 -11.502 1.00 0.00 H new ATOM 0 HH21 ARG A 412 7.746 -8.093 -10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 412 6.983 -9.067 -11.987 1.00 0.00 H new ATOM 1129 N GLN A 413 6.108 -12.606 -2.631 1.00 0.00 N ATOM 1130 CA GLN A 413 5.379 -13.641 -1.880 1.00 0.00 C ATOM 1131 C GLN A 413 4.111 -13.081 -1.203 1.00 0.00 C ATOM 1132 O GLN A 413 3.039 -13.676 -1.336 1.00 0.00 O ATOM 1133 CB GLN A 413 6.295 -14.308 -0.841 1.00 0.00 C ATOM 1134 CG GLN A 413 7.232 -15.345 -1.482 1.00 0.00 C ATOM 1135 CD GLN A 413 8.241 -15.877 -0.470 1.00 0.00 C ATOM 1136 OE1 GLN A 413 8.104 -16.957 0.090 1.00 0.00 O ATOM 1137 NE2 GLN A 413 9.285 -15.127 -0.192 1.00 0.00 N ATOM 0 H GLN A 413 7.061 -12.441 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 413 5.058 -14.394 -2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.889 -13.545 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.686 -14.792 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.645 -16.171 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 413 7.759 -14.892 -2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 413 9.404 -14.226 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 413 9.976 -15.446 0.487 1.00 0.00 H new ATOM 1146 N ILE A 414 4.198 -11.931 -0.517 1.00 0.00 N ATOM 1147 CA ILE A 414 3.040 -11.318 0.159 1.00 0.00 C ATOM 1148 C ILE A 414 1.957 -10.852 -0.798 1.00 0.00 C ATOM 1149 O ILE A 414 0.782 -11.166 -0.609 1.00 0.00 O ATOM 1150 CB ILE A 414 3.417 -10.138 1.087 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.413 -9.087 0.578 1.00 0.00 C ATOM 1152 CG2 ILE A 414 3.781 -10.746 2.446 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.184 -8.321 1.660 1.00 0.00 C ATOM 0 H ILE A 414 5.064 -11.402 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 414 2.647 -12.132 0.768 1.00 0.00 H new ATOM 0 HB ILE A 414 2.541 -9.492 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.133 -9.582 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 414 3.871 -8.367 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 414 4.056 -9.950 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 414 2.924 -11.292 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 414 4.622 -11.429 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 414 5.858 -7.606 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.480 -7.789 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.762 -9.023 2.261 1.00 0.00 H new ATOM 1165 N ILE A 415 2.345 -10.104 -1.823 1.00 0.00 N ATOM 1166 CA ILE A 415 1.386 -9.581 -2.800 1.00 0.00 C ATOM 1167 C ILE A 415 0.756 -10.703 -3.638 1.00 0.00 C ATOM 1168 O ILE A 415 -0.441 -10.657 -3.911 1.00 0.00 O ATOM 1169 CB ILE A 415 2.061 -8.429 -3.560 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.720 -7.104 -2.836 1.00 0.00 C ATOM 1171 CG2 ILE A 415 1.759 -8.446 -5.062 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.198 -5.852 -3.581 1.00 0.00 C ATOM 0 H ILE A 415 3.315 -9.844 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 415 0.509 -9.147 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 415 3.144 -8.549 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.640 -7.043 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.168 -7.118 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.263 -7.608 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.115 -9.381 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.684 -8.360 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.923 -4.963 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.281 -5.888 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.730 -5.813 -4.565 1.00 0.00 H new ATOM 1184 N SER A 416 1.509 -11.749 -3.983 1.00 0.00 N ATOM 1185 CA SER A 416 0.986 -12.920 -4.696 1.00 0.00 C ATOM 1186 C SER A 416 0.003 -13.697 -3.811 1.00 0.00 C ATOM 1187 O SER A 416 -1.067 -14.078 -4.291 1.00 0.00 O ATOM 1188 CB SER A 416 2.128 -13.799 -5.181 1.00 0.00 C ATOM 1189 OG SER A 416 1.684 -14.906 -5.949 1.00 0.00 O ATOM 0 H SER A 416 2.506 -11.810 -3.775 1.00 0.00 H new ATOM 0 HA SER A 416 0.435 -12.582 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 416 2.813 -13.199 -5.780 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.691 -14.162 -4.321 1.00 0.00 H new ATOM 0 HG SER A 416 1.940 -14.778 -6.886 1.00 0.00 H new ATOM 1195 N HIS A 417 0.297 -13.868 -2.509 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.658 -14.472 -1.571 1.00 0.00 C ATOM 1197 C HIS A 417 -1.945 -13.631 -1.536 1.00 0.00 C ATOM 1198 O HIS A 417 -3.028 -14.163 -1.767 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.068 -14.615 -0.149 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.138 -14.984 0.862 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -1.748 -16.216 0.975 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -1.919 -14.091 1.555 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -2.894 -16.059 1.660 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.044 -14.777 2.031 1.00 0.00 N ATOM 0 H HIS A 417 1.185 -13.597 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.885 -15.478 -1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.710 -15.378 -0.152 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.405 -13.678 0.146 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -1.703 -13.044 1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -3.594 -16.851 1.881 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -3.824 -14.381 2.556 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.831 -12.318 -1.295 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.974 -11.400 -1.237 1.00 0.00 C ATOM 1214 C TRP A 418 -3.825 -11.428 -2.520 1.00 0.00 C ATOM 1215 O TRP A 418 -5.057 -11.389 -2.440 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.473 -9.990 -0.907 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.545 -8.994 -0.588 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.258 -8.945 0.561 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -4.054 -7.904 -1.418 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -5.162 -7.903 0.505 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -5.075 -7.220 -0.691 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.759 -7.428 -2.715 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.758 -6.112 -1.215 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -4.439 -6.316 -3.253 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -5.432 -5.657 -2.505 1.00 0.00 C ATOM 0 H TRP A 418 -0.934 -11.860 -1.133 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.642 -11.734 -0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.792 -10.052 -0.058 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -1.894 -9.619 -1.753 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.138 -9.619 1.396 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.813 -7.667 1.254 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -3.001 -7.923 -3.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.523 -5.616 -0.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -4.196 -5.968 -4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -5.944 -4.802 -2.922 1.00 0.00 H new ATOM 1236 N LYS A 419 -3.193 -11.555 -3.699 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.900 -11.686 -4.990 1.00 0.00 C ATOM 1238 C LYS A 419 -4.672 -13.009 -5.104 1.00 0.00 C ATOM 1239 O LYS A 419 -5.817 -13.015 -5.558 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.891 -11.595 -6.149 1.00 0.00 C ATOM 1241 CG LYS A 419 -2.432 -10.160 -6.441 1.00 0.00 C ATOM 1242 CD LYS A 419 -1.211 -10.182 -7.376 1.00 0.00 C ATOM 1243 CE LYS A 419 -0.709 -8.778 -7.722 1.00 0.00 C ATOM 1244 NZ LYS A 419 -1.656 -8.022 -8.585 1.00 0.00 N ATOM 0 H LYS A 419 -2.177 -11.570 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 419 -4.621 -10.871 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -2.020 -12.207 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -3.342 -12.015 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -3.243 -9.596 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -2.179 -9.653 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 419 -0.406 -10.745 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -1.471 -10.708 -8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -0.540 -8.220 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 419 0.253 -8.856 -8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -1.265 -7.080 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -1.799 -8.536 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -2.567 -7.921 -8.094 1.00 0.00 H new ATOM 1258 N ASN A 420 -4.041 -14.126 -4.733 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.612 -15.477 -4.847 1.00 0.00 C ATOM 1260 C ASN A 420 -5.605 -15.896 -3.743 1.00 0.00 C ATOM 1261 O ASN A 420 -6.425 -16.784 -3.987 1.00 0.00 O ATOM 1262 CB ASN A 420 -3.455 -16.489 -4.936 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.798 -16.494 -6.306 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -3.279 -17.108 -7.249 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -1.692 -15.806 -6.473 1.00 0.00 N ATOM 0 H ASN A 420 -3.101 -14.120 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 420 -5.222 -15.464 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.708 -16.252 -4.178 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.830 -17.487 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -1.237 -15.785 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -1.288 -15.293 -5.690 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.519 -15.333 -2.535 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.318 -15.726 -1.375 1.00 0.00 C ATOM 1274 C CYS A 421 -7.847 -15.578 -1.542 1.00 0.00 C ATOM 1275 O CYS A 421 -8.401 -14.471 -1.571 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.798 -14.991 -0.137 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.352 -15.872 1.348 1.00 0.00 S ATOM 0 H CYS A 421 -4.873 -14.570 -2.333 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.186 -16.802 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.709 -14.939 -0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -6.166 -13.965 -0.126 1.00 0.00 H new ATOM 0 HG CYS A 421 -7.246 -15.159 1.967 1.00 0.00 H new ATOM 1282 N THR A 422 -8.532 -16.722 -1.613 1.00 0.00 N ATOM 1283 CA THR A 422 -9.999 -16.854 -1.718 1.00 0.00 C ATOM 1284 C THR A 422 -10.674 -17.089 -0.357 1.00 0.00 C ATOM 1285 O THR A 422 -11.902 -17.203 -0.288 1.00 0.00 O ATOM 1286 CB THR A 422 -10.373 -18.018 -2.655 1.00 0.00 C ATOM 1287 OG1 THR A 422 -9.729 -19.209 -2.237 1.00 0.00 O ATOM 1288 CG2 THR A 422 -9.969 -17.749 -4.105 1.00 0.00 C ATOM 0 H THR A 422 -8.063 -17.628 -1.599 1.00 0.00 H new ATOM 0 HA THR A 422 -10.359 -15.907 -2.120 1.00 0.00 H new ATOM 0 HB THR A 422 -11.457 -18.121 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.975 -19.942 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.254 -18.599 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.474 -16.852 -4.463 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.890 -17.604 -4.161 1.00 0.00 H new ATOM 1296 N ARG A 423 -9.894 -17.169 0.735 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.374 -17.416 2.107 1.00 0.00 C ATOM 1298 C ARG A 423 -11.411 -16.391 2.577 1.00 0.00 C ATOM 1299 O ARG A 423 -11.300 -15.195 2.306 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.195 -17.413 3.095 1.00 0.00 C ATOM 1301 CG ARG A 423 -8.183 -18.548 2.878 1.00 0.00 C ATOM 1302 CD ARG A 423 -7.036 -18.402 3.884 1.00 0.00 C ATOM 1303 NE ARG A 423 -5.993 -19.425 3.678 1.00 0.00 N ATOM 1304 CZ ARG A 423 -4.703 -19.302 3.940 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -4.183 -18.204 4.416 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -3.894 -20.301 3.726 1.00 0.00 N ATOM 0 H ARG A 423 -8.881 -17.060 0.686 1.00 0.00 H new ATOM 0 HA ARG A 423 -10.857 -18.393 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.674 -16.459 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -9.587 -17.481 4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -8.671 -19.515 3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -7.795 -18.516 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -6.595 -17.410 3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -7.429 -18.482 4.898 1.00 0.00 H new ATOM 0 HE ARG A 423 -6.299 -20.319 3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -4.778 -17.396 4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -3.182 -18.153 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -4.256 -21.180 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -2.899 -20.204 3.929 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.386 -16.882 3.339 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.459 -16.126 3.974 1.00 0.00 C ATOM 1322 C HIS A 424 -13.032 -15.402 5.270 1.00 0.00 C ATOM 1323 O HIS A 424 -13.826 -14.642 5.826 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.640 -17.070 4.256 1.00 0.00 C ATOM 1325 CG HIS A 424 -15.253 -17.661 3.010 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -15.190 -18.978 2.607 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -15.992 -16.988 2.073 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -15.872 -19.096 1.454 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -16.382 -17.906 1.087 1.00 0.00 N ATOM 0 H HIS A 424 -12.450 -17.880 3.541 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.749 -15.339 3.278 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -14.301 -17.879 4.903 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -15.408 -16.524 4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -16.232 -15.935 2.091 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -15.993 -20.016 0.901 1.00 0.00 H new ATOM 0 HE2 HIS A 424 -16.941 -17.710 0.257 1.00 0.00 H new ATOM 1337 N ASP A 425 -11.831 -15.678 5.800 1.00 0.00 N ATOM 1338 CA ASP A 425 -11.349 -15.175 7.094 1.00 0.00 C ATOM 1339 C ASP A 425 -9.812 -15.130 7.238 1.00 0.00 C ATOM 1340 O ASP A 425 -9.284 -15.546 8.275 1.00 0.00 O ATOM 1341 CB ASP A 425 -12.023 -15.983 8.228 1.00 0.00 C ATOM 1342 CG ASP A 425 -11.539 -17.444 8.382 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -11.246 -18.127 7.370 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -11.500 -17.939 9.537 1.00 0.00 O ATOM 0 H ASP A 425 -11.151 -16.273 5.327 1.00 0.00 H new ATOM 0 HA ASP A 425 -11.640 -14.127 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -11.856 -15.462 9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -13.099 -15.991 8.055 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.064 -14.608 6.246 1.00 0.00 N ATOM 1350 CA CYS A 426 -7.603 -14.525 6.407 1.00 0.00 C ATOM 1351 C CYS A 426 -7.307 -13.283 7.296 1.00 0.00 C ATOM 1352 O CYS A 426 -8.059 -12.304 7.222 1.00 0.00 O ATOM 1353 CB CYS A 426 -6.980 -14.482 5.012 1.00 0.00 C ATOM 1354 SG CYS A 426 -5.317 -15.231 4.950 1.00 0.00 S ATOM 0 H CYS A 426 -9.428 -14.252 5.362 1.00 0.00 H new ATOM 0 HA CYS A 426 -7.162 -15.385 6.911 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -7.633 -15.003 4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -6.918 -13.446 4.679 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.102 -15.713 3.762 1.00 0.00 H new ATOM 1359 N PRO A 427 -6.259 -13.265 8.145 1.00 0.00 N ATOM 1360 CA PRO A 427 -6.002 -12.168 9.089 1.00 0.00 C ATOM 1361 C PRO A 427 -5.477 -10.869 8.449 1.00 0.00 C ATOM 1362 O PRO A 427 -5.132 -9.930 9.168 1.00 0.00 O ATOM 1363 CB PRO A 427 -5.035 -12.759 10.122 1.00 0.00 C ATOM 1364 CG PRO A 427 -4.243 -13.786 9.321 1.00 0.00 C ATOM 1365 CD PRO A 427 -5.257 -14.305 8.302 1.00 0.00 C ATOM 0 HA PRO A 427 -6.935 -11.830 9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -4.385 -11.994 10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -5.568 -13.222 10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -3.379 -13.335 8.833 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -3.867 -14.588 9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -4.773 -14.523 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -5.713 -15.233 8.647 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.411 -10.805 7.114 1.00 0.00 N ATOM 1374 CA VAL A 428 -4.923 -9.649 6.339 1.00 0.00 C ATOM 1375 C VAL A 428 -5.846 -9.332 5.154 1.00 0.00 C ATOM 1376 O VAL A 428 -6.255 -8.180 4.970 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.488 -9.906 5.853 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.918 -8.576 5.358 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -2.576 -10.475 6.944 1.00 0.00 C ATOM 0 H VAL A 428 -5.705 -11.580 6.520 1.00 0.00 H new ATOM 0 HA VAL A 428 -4.925 -8.779 6.996 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.527 -10.654 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.898 -8.726 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.532 -8.199 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.917 -7.854 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -1.577 -10.634 6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -2.521 -9.772 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -2.979 -11.424 7.297 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.251 -10.373 4.419 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.252 -10.340 3.362 1.00 0.00 C ATOM 1391 C CYS A 429 -8.578 -9.735 3.788 1.00 0.00 C ATOM 1392 O CYS A 429 -8.912 -8.666 3.290 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.359 -11.701 2.648 1.00 0.00 C ATOM 1394 SG CYS A 429 -5.741 -12.537 2.673 1.00 0.00 S ATOM 0 H CYS A 429 -5.866 -11.307 4.557 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.898 -9.636 2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.108 -12.322 3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -7.689 -11.558 1.619 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.870 -13.746 2.214 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.323 -10.355 4.706 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.592 -9.822 5.179 1.00 0.00 C ATOM 1401 C LEU A 430 -10.515 -8.359 5.658 1.00 0.00 C ATOM 1402 O LEU A 430 -11.309 -7.557 5.154 1.00 0.00 O ATOM 1403 CB LEU A 430 -11.182 -10.825 6.168 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.153 -11.799 5.496 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -13.515 -11.172 5.215 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -11.637 -12.477 4.224 1.00 0.00 C ATOM 0 H LEU A 430 -9.059 -11.240 5.139 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.293 -9.725 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.375 -11.386 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -11.701 -10.287 6.962 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.255 -12.585 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -14.163 -11.908 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -13.965 -10.845 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -13.391 -10.315 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -12.404 -13.145 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -11.400 -11.718 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -10.740 -13.051 4.456 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.561 -7.961 6.526 1.00 0.00 N ATOM 1419 CA PRO A 431 -9.342 -6.556 6.867 1.00 0.00 C ATOM 1420 C PRO A 431 -9.243 -5.635 5.646 1.00 0.00 C ATOM 1421 O PRO A 431 -10.022 -4.690 5.528 1.00 0.00 O ATOM 1422 CB PRO A 431 -8.021 -6.528 7.635 1.00 0.00 C ATOM 1423 CG PRO A 431 -7.988 -7.888 8.316 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.591 -8.787 7.238 1.00 0.00 C ATOM 0 HA PRO A 431 -10.191 -6.184 7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -7.170 -6.391 6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -7.993 -5.714 8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -6.974 -8.189 8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -8.574 -7.900 9.235 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.821 -9.156 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -9.071 -9.660 7.681 1.00 0.00 H new ATOM 1432 N LEU A 432 -8.303 -5.898 4.728 1.00 0.00 N ATOM 1433 CA LEU A 432 -8.101 -5.063 3.534 1.00 0.00 C ATOM 1434 C LEU A 432 -9.267 -5.107 2.547 1.00 0.00 C ATOM 1435 O LEU A 432 -9.536 -4.120 1.859 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.815 -5.495 2.820 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.627 -4.691 3.378 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.349 -5.513 3.274 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -5.442 -3.371 2.627 1.00 0.00 C ATOM 0 H LEU A 432 -7.664 -6.691 4.790 1.00 0.00 H new ATOM 0 HA LEU A 432 -8.029 -4.034 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.646 -6.562 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -6.908 -5.330 1.747 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.840 -4.465 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.513 -4.937 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.461 -6.433 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.158 -5.758 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -4.595 -2.829 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.255 -3.575 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.344 -2.767 2.725 1.00 0.00 H new