USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 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 458 CYS SG : rot 161:sc= 0.241 USER MOD Set 1.2: A 464 CYS SG : rot -162:sc= 0.137 USER MOD Set 1.3: A 469 CYS SG : rot -120:sc= 0.246 USER MOD Set 1.4: A 473 HIS : no HE2:sc= 0.326 K(o=0.95,f=0.32) USER MOD Set 2.1: A 414 GLN : amide:sc= -0.682 K(o=-3.9,f=-10!) USER MOD Set 2.2: A 437 CYS SG : rot -164:sc= 0.0272 USER MOD Set 2.3: A 443 CYS SG : rot -160:sc= 1.27 USER MOD Set 2.4: A 448 CYS SG : rot -78:sc= -0.63 USER MOD Set 2.5: A 452 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-7.9!) USER MOD Set 3.1: A 415 CYS SG : rot -131:sc= 0.43 USER MOD Set 3.2: A 421 CYS SG : rot -119:sc= 0.157 USER MOD Set 3.3: A 423 ASN : amide:sc= 1.16 K(o=2.9,f=0.61) USER MOD Set 3.4: A 426 CYS SG : rot 94:sc= 0.928 USER MOD Set 3.5: A 430 HIS : no HE2:sc= 0.266 K(o=2.9,f=-2.5!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot -159:sc=0.000681 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.00455 USER MOD Single : A 420 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.12) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.12) USER MOD Single : A 436 MET CE :methyl 168:sc= -0.601 (180deg=-0.723) USER MOD Single : A 442 ASN : amide:sc= 0.684 K(o=0.68,f=0) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 455 ASN : amide:sc= 0.102 K(o=0.1,f=-3.7!) USER MOD Single : A 463 ASN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD Single : A 465 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00285) USER MOD Single : A 466 ASN : amide:sc= 0.427 K(o=0.43,f=-3.3!) USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 409 0.269 -15.409 -6.098 1.00 20.00 N ATOM 62 CA GLU A 409 0.184 -14.223 -5.222 1.00 20.00 C ATOM 63 C GLU A 409 -0.944 -14.311 -4.177 1.00 20.00 C ATOM 64 O GLU A 409 -1.712 -13.372 -3.965 1.00 20.00 O ATOM 65 CB GLU A 409 0.143 -12.907 -6.017 1.00 20.00 C ATOM 66 CG GLU A 409 1.181 -12.805 -7.142 1.00 20.00 C ATOM 67 CD GLU A 409 1.056 -11.462 -7.892 1.00 20.00 C ATOM 68 OE1 GLU A 409 1.431 -10.399 -7.339 1.00 20.00 O ATOM 69 OE2 GLU A 409 0.583 -11.463 -9.056 1.00 20.00 O ATOM 0 HA GLU A 409 1.112 -14.217 -4.651 1.00 20.00 H new ATOM 0 HB2 GLU A 409 -0.852 -12.789 -6.447 1.00 20.00 H new ATOM 0 HB3 GLU A 409 0.292 -12.077 -5.327 1.00 20.00 H new ATOM 0 HG2 GLU A 409 2.184 -12.901 -6.726 1.00 20.00 H new ATOM 0 HG3 GLU A 409 1.046 -13.630 -7.842 1.00 20.00 H new ATOM 76 N LYS A 410 -1.085 -15.489 -3.557 1.00 20.00 N ATOM 77 CA LYS A 410 -2.307 -15.934 -2.873 1.00 20.00 C ATOM 78 C LYS A 410 -2.340 -15.594 -1.384 1.00 20.00 C ATOM 79 O LYS A 410 -3.320 -15.880 -0.694 1.00 20.00 O ATOM 80 CB LYS A 410 -2.486 -17.439 -3.167 1.00 20.00 C ATOM 81 CG LYS A 410 -3.923 -17.976 -3.049 1.00 20.00 C ATOM 82 CD LYS A 410 -4.962 -17.286 -3.953 1.00 20.00 C ATOM 83 CE LYS A 410 -4.524 -17.104 -5.414 1.00 20.00 C ATOM 84 NZ LYS A 410 -4.386 -18.400 -6.129 1.00 20.00 N ATOM 0 H LYS A 410 -0.333 -16.177 -3.516 1.00 20.00 H new ATOM 0 HA LYS A 410 -3.161 -15.381 -3.265 1.00 20.00 H new ATOM 0 HB2 LYS A 410 -2.125 -17.639 -4.176 1.00 20.00 H new ATOM 0 HB3 LYS A 410 -1.850 -18.002 -2.484 1.00 20.00 H new ATOM 0 HG2 LYS A 410 -3.915 -19.041 -3.281 1.00 20.00 H new ATOM 0 HG3 LYS A 410 -4.246 -17.878 -2.013 1.00 20.00 H new ATOM 0 HD2 LYS A 410 -5.883 -17.868 -3.934 1.00 20.00 H new ATOM 0 HD3 LYS A 410 -5.195 -16.307 -3.534 1.00 20.00 H new ATOM 0 HE2 LYS A 410 -5.252 -16.481 -5.934 1.00 20.00 H new ATOM 0 HE3 LYS A 410 -3.572 -16.573 -5.442 1.00 20.00 H new ATOM 0 HZ1 LYS A 410 -4.089 -18.225 -7.110 1.00 20.00 H new ATOM 0 HZ2 LYS A 410 -3.673 -18.986 -5.650 1.00 20.00 H new ATOM 0 HZ3 LYS A 410 -5.300 -18.896 -6.127 1.00 20.00 H new ATOM 98 N SER A 411 -1.277 -14.967 -0.894 1.00 20.00 N ATOM 99 CA SER A 411 -1.192 -14.470 0.470 1.00 20.00 C ATOM 100 C SER A 411 -1.953 -13.151 0.611 1.00 20.00 C ATOM 101 O SER A 411 -1.828 -12.261 -0.232 1.00 20.00 O ATOM 102 CB SER A 411 0.260 -14.309 0.903 1.00 20.00 C ATOM 103 OG SER A 411 0.306 -14.093 2.303 1.00 20.00 O ATOM 0 H SER A 411 -0.437 -14.788 -1.444 1.00 20.00 H new ATOM 0 HA SER A 411 -1.657 -15.204 1.128 1.00 20.00 H new ATOM 0 HB2 SER A 411 0.831 -15.200 0.641 1.00 20.00 H new ATOM 0 HB3 SER A 411 0.718 -13.471 0.378 1.00 20.00 H new ATOM 0 HG SER A 411 1.156 -13.667 2.541 1.00 20.00 H new ATOM 109 N LEU A 412 -2.753 -13.028 1.672 1.00 20.00 N ATOM 110 CA LEU A 412 -3.676 -11.901 1.868 1.00 20.00 C ATOM 111 C LEU A 412 -3.006 -10.640 2.453 1.00 20.00 C ATOM 112 O LEU A 412 -3.569 -9.543 2.403 1.00 20.00 O ATOM 113 CB LEU A 412 -4.878 -12.405 2.690 1.00 20.00 C ATOM 114 CG LEU A 412 -6.111 -11.485 2.653 1.00 20.00 C ATOM 115 CD1 LEU A 412 -6.673 -11.342 1.235 1.00 20.00 C ATOM 116 CD2 LEU A 412 -7.206 -12.055 3.554 1.00 20.00 C ATOM 0 H LEU A 412 -2.781 -13.712 2.428 1.00 20.00 H new ATOM 0 HA LEU A 412 -4.028 -11.556 0.896 1.00 20.00 H new ATOM 0 HB2 LEU A 412 -5.165 -13.390 2.322 1.00 20.00 H new ATOM 0 HB3 LEU A 412 -4.565 -12.530 3.727 1.00 20.00 H new ATOM 0 HG LEU A 412 -5.795 -10.502 3.002 1.00 20.00 H new ATOM 0 HD11 LEU A 412 -7.542 -10.685 1.253 1.00 20.00 H new ATOM 0 HD12 LEU A 412 -5.910 -10.917 0.582 1.00 20.00 H new ATOM 0 HD13 LEU A 412 -6.967 -12.322 0.860 1.00 20.00 H new ATOM 0 HD21 LEU A 412 -8.078 -11.401 3.526 1.00 20.00 H new ATOM 0 HD22 LEU A 412 -7.486 -13.048 3.203 1.00 20.00 H new ATOM 0 HD23 LEU A 412 -6.837 -12.123 4.577 1.00 20.00 H new ATOM 128 N GLU A 413 -1.775 -10.770 2.941 1.00 20.00 N ATOM 129 CA GLU A 413 -0.891 -9.629 3.198 1.00 20.00 C ATOM 130 C GLU A 413 -0.518 -8.900 1.886 1.00 20.00 C ATOM 131 O GLU A 413 -0.646 -9.448 0.791 1.00 20.00 O ATOM 132 CB GLU A 413 0.357 -10.099 3.968 1.00 20.00 C ATOM 133 CG GLU A 413 0.170 -10.102 5.492 1.00 20.00 C ATOM 134 CD GLU A 413 -0.903 -11.100 5.976 1.00 20.00 C ATOM 135 OE1 GLU A 413 -0.632 -12.325 6.003 1.00 20.00 O ATOM 136 OE2 GLU A 413 -2.011 -10.660 6.371 1.00 20.00 O ATOM 0 H GLU A 413 -1.358 -11.672 3.171 1.00 20.00 H new ATOM 0 HA GLU A 413 -1.421 -8.905 3.817 1.00 20.00 H new ATOM 0 HB2 GLU A 413 0.619 -11.105 3.640 1.00 20.00 H new ATOM 0 HB3 GLU A 413 1.196 -9.452 3.714 1.00 20.00 H new ATOM 0 HG2 GLU A 413 1.121 -10.344 5.967 1.00 20.00 H new ATOM 0 HG3 GLU A 413 -0.104 -9.099 5.819 1.00 20.00 H new ATOM 143 N GLN A 414 -0.045 -7.657 2.002 1.00 20.00 N ATOM 144 CA GLN A 414 0.385 -6.823 0.869 1.00 20.00 C ATOM 145 C GLN A 414 1.896 -6.559 0.920 1.00 20.00 C ATOM 146 O GLN A 414 2.466 -6.281 1.980 1.00 20.00 O ATOM 147 CB GLN A 414 -0.484 -5.554 0.779 1.00 20.00 C ATOM 148 CG GLN A 414 -0.177 -4.633 -0.426 1.00 20.00 C ATOM 149 CD GLN A 414 -1.385 -4.200 -1.259 1.00 20.00 C ATOM 150 OE1 GLN A 414 -2.279 -4.970 -1.562 1.00 20.00 O ATOM 151 NE2 GLN A 414 -1.448 -2.972 -1.728 1.00 20.00 N ATOM 0 H GLN A 414 0.053 -7.189 2.903 1.00 20.00 H new ATOM 0 HA GLN A 414 0.224 -7.361 -0.065 1.00 20.00 H new ATOM 0 HB2 GLN A 414 -1.531 -5.852 0.731 1.00 20.00 H new ATOM 0 HB3 GLN A 414 -0.358 -4.980 1.697 1.00 20.00 H new ATOM 0 HG2 GLN A 414 0.325 -3.739 -0.057 1.00 20.00 H new ATOM 0 HG3 GLN A 414 0.527 -5.146 -1.081 1.00 20.00 H new ATOM 0 HE21 GLN A 414 -0.717 -2.299 -1.496 1.00 20.00 H new ATOM 0 HE22 GLN A 414 -2.227 -2.693 -2.324 1.00 20.00 H new ATOM 160 N CYS A 415 2.530 -6.670 -0.245 1.00 20.00 N ATOM 161 CA CYS A 415 3.949 -6.440 -0.478 1.00 20.00 C ATOM 162 C CYS A 415 4.378 -4.995 -0.167 1.00 20.00 C ATOM 163 O CYS A 415 3.606 -4.049 -0.341 1.00 20.00 O ATOM 164 CB CYS A 415 4.269 -6.828 -1.909 1.00 20.00 C ATOM 165 SG CYS A 415 5.987 -7.465 -2.007 1.00 20.00 S ATOM 0 H CYS A 415 2.038 -6.938 -1.097 1.00 20.00 H new ATOM 0 HA CYS A 415 4.522 -7.061 0.210 1.00 20.00 H new ATOM 0 HB2 CYS A 415 3.569 -7.588 -2.255 1.00 20.00 H new ATOM 0 HB3 CYS A 415 4.153 -5.965 -2.565 1.00 20.00 H new ATOM 0 HG CYS A 415 6.610 -6.883 -2.988 1.00 20.00 H new ATOM 170 N LYS A 416 5.632 -4.823 0.262 1.00 20.00 N ATOM 171 CA LYS A 416 6.146 -3.581 0.867 1.00 20.00 C ATOM 172 C LYS A 416 6.087 -2.352 -0.052 1.00 20.00 C ATOM 173 O LYS A 416 5.828 -1.251 0.430 1.00 20.00 O ATOM 174 CB LYS A 416 7.589 -3.810 1.346 1.00 20.00 C ATOM 175 CG LYS A 416 7.693 -4.862 2.465 1.00 20.00 C ATOM 176 CD LYS A 416 9.125 -4.978 3.017 1.00 20.00 C ATOM 177 CE LYS A 416 9.557 -3.762 3.852 1.00 20.00 C ATOM 178 NZ LYS A 416 8.902 -3.746 5.187 1.00 20.00 N ATOM 0 H LYS A 416 6.337 -5.557 0.199 1.00 20.00 H new ATOM 0 HA LYS A 416 5.485 -3.352 1.703 1.00 20.00 H new ATOM 0 HB2 LYS A 416 8.201 -4.126 0.501 1.00 20.00 H new ATOM 0 HB3 LYS A 416 8.001 -2.866 1.703 1.00 20.00 H new ATOM 0 HG2 LYS A 416 7.013 -4.598 3.275 1.00 20.00 H new ATOM 0 HG3 LYS A 416 7.372 -5.831 2.082 1.00 20.00 H new ATOM 0 HD2 LYS A 416 9.198 -5.876 3.631 1.00 20.00 H new ATOM 0 HD3 LYS A 416 9.818 -5.103 2.185 1.00 20.00 H new ATOM 0 HE2 LYS A 416 10.640 -3.775 3.979 1.00 20.00 H new ATOM 0 HE3 LYS A 416 9.310 -2.846 3.315 1.00 20.00 H new ATOM 0 HZ1 LYS A 416 9.219 -2.911 5.719 1.00 20.00 H new ATOM 0 HZ2 LYS A 416 7.870 -3.708 5.067 1.00 20.00 H new ATOM 0 HZ3 LYS A 416 9.158 -4.608 5.710 1.00 20.00 H new ATOM 192 N PHE A 417 6.325 -2.530 -1.355 1.00 20.00 N ATOM 193 CA PHE A 417 6.578 -1.431 -2.301 1.00 20.00 C ATOM 194 C PHE A 417 5.563 -1.314 -3.457 1.00 20.00 C ATOM 195 O PHE A 417 5.708 -0.435 -4.306 1.00 20.00 O ATOM 196 CB PHE A 417 8.031 -1.537 -2.794 1.00 20.00 C ATOM 197 CG PHE A 417 9.069 -1.414 -1.691 1.00 20.00 C ATOM 198 CD1 PHE A 417 9.339 -0.157 -1.115 1.00 20.00 C ATOM 199 CD2 PHE A 417 9.758 -2.552 -1.226 1.00 20.00 C ATOM 200 CE1 PHE A 417 10.290 -0.038 -0.086 1.00 20.00 C ATOM 201 CE2 PHE A 417 10.705 -2.434 -0.193 1.00 20.00 C ATOM 202 CZ PHE A 417 10.973 -1.177 0.377 1.00 20.00 C ATOM 0 H PHE A 417 6.348 -3.452 -1.791 1.00 20.00 H new ATOM 0 HA PHE A 417 6.433 -0.496 -1.761 1.00 20.00 H new ATOM 0 HB2 PHE A 417 8.164 -2.494 -3.298 1.00 20.00 H new ATOM 0 HB3 PHE A 417 8.210 -0.758 -3.536 1.00 20.00 H new ATOM 0 HD1 PHE A 417 8.813 0.719 -1.465 1.00 20.00 H new ATOM 0 HD2 PHE A 417 9.558 -3.518 -1.665 1.00 20.00 H new ATOM 0 HE1 PHE A 417 10.496 0.929 0.349 1.00 20.00 H new ATOM 0 HE2 PHE A 417 11.227 -3.310 0.163 1.00 20.00 H new ATOM 0 HZ PHE A 417 11.702 -1.086 1.169 1.00 20.00 H new ATOM 212 N GLY A 418 4.511 -2.143 -3.482 1.00 20.00 N ATOM 213 CA GLY A 418 3.353 -1.980 -4.377 1.00 20.00 C ATOM 214 C GLY A 418 3.690 -1.829 -5.868 1.00 20.00 C ATOM 215 O GLY A 418 4.244 -2.737 -6.488 1.00 20.00 O ATOM 0 H GLY A 418 4.437 -2.958 -2.873 1.00 20.00 H new ATOM 0 HA2 GLY A 418 2.697 -2.842 -4.255 1.00 20.00 H new ATOM 0 HA3 GLY A 418 2.789 -1.103 -4.058 1.00 20.00 H new ATOM 219 N THR A 419 3.359 -0.670 -6.446 1.00 20.00 N ATOM 220 CA THR A 419 3.639 -0.309 -7.851 1.00 20.00 C ATOM 221 C THR A 419 5.137 -0.214 -8.177 1.00 20.00 C ATOM 222 O THR A 419 5.528 -0.367 -9.336 1.00 20.00 O ATOM 223 CB THR A 419 2.997 1.047 -8.196 1.00 20.00 C ATOM 224 OG1 THR A 419 3.318 2.006 -7.208 1.00 20.00 O ATOM 225 CG2 THR A 419 1.474 0.963 -8.273 1.00 20.00 C ATOM 0 H THR A 419 2.874 0.070 -5.939 1.00 20.00 H new ATOM 0 HA THR A 419 3.213 -1.117 -8.446 1.00 20.00 H new ATOM 0 HB THR A 419 3.391 1.335 -9.171 1.00 20.00 H new ATOM 0 HG1 THR A 419 2.906 2.864 -7.439 1.00 20.00 H new ATOM 0 HG21 THR A 419 1.067 1.944 -8.519 1.00 20.00 H new ATOM 0 HG22 THR A 419 1.188 0.248 -9.044 1.00 20.00 H new ATOM 0 HG23 THR A 419 1.078 0.637 -7.311 1.00 20.00 H new ATOM 233 N HIS A 420 5.983 0.007 -7.166 1.00 20.00 N ATOM 234 CA HIS A 420 7.446 0.120 -7.256 1.00 20.00 C ATOM 235 C HIS A 420 8.175 -1.194 -6.894 1.00 20.00 C ATOM 236 O HIS A 420 9.400 -1.205 -6.753 1.00 20.00 O ATOM 237 CB HIS A 420 7.871 1.309 -6.372 1.00 20.00 C ATOM 238 CG HIS A 420 9.300 1.769 -6.555 1.00 20.00 C ATOM 239 ND1 HIS A 420 9.775 2.550 -7.613 1.00 20.00 N ATOM 240 CD2 HIS A 420 10.331 1.517 -5.697 1.00 20.00 C ATOM 241 CE1 HIS A 420 11.084 2.741 -7.371 1.00 20.00 C ATOM 242 NE2 HIS A 420 11.444 2.130 -6.228 1.00 20.00 N ATOM 0 H HIS A 420 5.649 0.118 -6.209 1.00 20.00 H new ATOM 0 HA HIS A 420 7.741 0.305 -8.289 1.00 20.00 H new ATOM 0 HB2 HIS A 420 7.207 2.149 -6.576 1.00 20.00 H new ATOM 0 HB3 HIS A 420 7.725 1.035 -5.327 1.00 20.00 H new ATOM 0 HD2 HIS A 420 10.283 0.948 -4.780 1.00 20.00 H new ATOM 0 HE1 HIS A 420 11.752 3.305 -8.005 1.00 20.00 H new ATOM 0 HE2 HIS A 420 12.381 2.122 -5.824 1.00 20.00 H new ATOM 250 N CYS A 421 7.446 -2.306 -6.722 1.00 20.00 N ATOM 251 CA CYS A 421 8.009 -3.556 -6.220 1.00 20.00 C ATOM 252 C CYS A 421 9.081 -4.177 -7.149 1.00 20.00 C ATOM 253 O CYS A 421 8.973 -4.136 -8.381 1.00 20.00 O ATOM 254 CB CYS A 421 6.909 -4.548 -5.863 1.00 20.00 C ATOM 255 SG CYS A 421 7.765 -5.780 -4.827 1.00 20.00 S ATOM 0 H CYS A 421 6.449 -2.358 -6.929 1.00 20.00 H new ATOM 0 HA CYS A 421 8.545 -3.303 -5.305 1.00 20.00 H new ATOM 0 HB2 CYS A 421 6.094 -4.066 -5.323 1.00 20.00 H new ATOM 0 HB3 CYS A 421 6.476 -5.004 -6.753 1.00 20.00 H new ATOM 0 HG CYS A 421 7.692 -6.948 -5.392 1.00 20.00 H new ATOM 260 N THR A 422 10.122 -4.747 -6.536 1.00 20.00 N ATOM 261 CA THR A 422 11.381 -5.145 -7.180 1.00 20.00 C ATOM 262 C THR A 422 11.570 -6.648 -7.422 1.00 20.00 C ATOM 263 O THR A 422 12.471 -7.001 -8.188 1.00 20.00 O ATOM 264 CB THR A 422 12.580 -4.577 -6.400 1.00 20.00 C ATOM 265 OG1 THR A 422 12.565 -5.051 -5.067 1.00 20.00 O ATOM 266 CG2 THR A 422 12.552 -3.046 -6.350 1.00 20.00 C ATOM 0 H THR A 422 10.112 -4.953 -5.537 1.00 20.00 H new ATOM 0 HA THR A 422 11.324 -4.714 -8.179 1.00 20.00 H new ATOM 0 HB THR A 422 13.479 -4.906 -6.921 1.00 20.00 H new ATOM 0 HG1 THR A 422 13.333 -4.685 -4.581 1.00 20.00 H new ATOM 0 HG21 THR A 422 13.415 -2.684 -5.791 1.00 20.00 H new ATOM 0 HG22 THR A 422 12.584 -2.648 -7.364 1.00 20.00 H new ATOM 0 HG23 THR A 422 11.637 -2.715 -5.859 1.00 20.00 H new ATOM 274 N ASN A 423 10.740 -7.542 -6.858 1.00 20.00 N ATOM 275 CA ASN A 423 10.746 -8.965 -7.219 1.00 20.00 C ATOM 276 C ASN A 423 9.536 -9.316 -8.114 1.00 20.00 C ATOM 277 O ASN A 423 8.444 -8.761 -7.974 1.00 20.00 O ATOM 278 CB ASN A 423 10.919 -9.802 -5.940 1.00 20.00 C ATOM 279 CG ASN A 423 10.706 -11.286 -6.169 1.00 20.00 C ATOM 280 OD1 ASN A 423 11.542 -11.982 -6.725 1.00 20.00 O ATOM 281 ND2 ASN A 423 9.563 -11.807 -5.794 1.00 20.00 N ATOM 0 H ASN A 423 10.052 -7.299 -6.145 1.00 20.00 H new ATOM 0 HA ASN A 423 11.599 -9.216 -7.849 1.00 20.00 H new ATOM 0 HB2 ASN A 423 11.920 -9.642 -5.540 1.00 20.00 H new ATOM 0 HB3 ASN A 423 10.215 -9.452 -5.185 1.00 20.00 H new ATOM 0 HD21 ASN A 423 9.371 -12.794 -5.966 1.00 20.00 H new ATOM 0 HD22 ASN A 423 8.865 -11.225 -5.330 1.00 20.00 H new ATOM 288 N LYS A 424 9.750 -10.212 -9.089 1.00 20.00 N ATOM 289 CA LYS A 424 8.821 -10.438 -10.217 1.00 20.00 C ATOM 290 C LYS A 424 7.637 -11.372 -9.916 1.00 20.00 C ATOM 291 O LYS A 424 6.759 -11.526 -10.769 1.00 20.00 O ATOM 292 CB LYS A 424 9.618 -10.916 -11.447 1.00 20.00 C ATOM 293 CG LYS A 424 10.617 -9.859 -11.950 1.00 20.00 C ATOM 294 CD LYS A 424 11.336 -10.333 -13.220 1.00 20.00 C ATOM 295 CE LYS A 424 12.319 -9.258 -13.701 1.00 20.00 C ATOM 296 NZ LYS A 424 13.031 -9.679 -14.935 1.00 20.00 N ATOM 0 H LYS A 424 10.578 -10.807 -9.121 1.00 20.00 H new ATOM 0 HA LYS A 424 8.349 -9.476 -10.419 1.00 20.00 H new ATOM 0 HB2 LYS A 424 10.157 -11.829 -11.194 1.00 20.00 H new ATOM 0 HB3 LYS A 424 8.925 -11.167 -12.250 1.00 20.00 H new ATOM 0 HG2 LYS A 424 10.091 -8.926 -12.154 1.00 20.00 H new ATOM 0 HG3 LYS A 424 11.350 -9.648 -11.171 1.00 20.00 H new ATOM 0 HD2 LYS A 424 11.870 -11.262 -13.020 1.00 20.00 H new ATOM 0 HD3 LYS A 424 10.607 -10.546 -14.002 1.00 20.00 H new ATOM 0 HE2 LYS A 424 11.780 -8.330 -13.890 1.00 20.00 H new ATOM 0 HE3 LYS A 424 13.045 -9.050 -12.915 1.00 20.00 H new ATOM 0 HZ1 LYS A 424 13.687 -8.928 -15.231 1.00 20.00 H new ATOM 0 HZ2 LYS A 424 13.566 -10.551 -14.747 1.00 20.00 H new ATOM 0 HZ3 LYS A 424 12.340 -9.853 -15.692 1.00 20.00 H new ATOM 310 N ARG A 425 7.612 -12.012 -8.738 1.00 20.00 N ATOM 311 CA ARG A 425 6.661 -13.096 -8.392 1.00 20.00 C ATOM 312 C ARG A 425 6.111 -13.095 -6.954 1.00 20.00 C ATOM 313 O ARG A 425 5.434 -14.056 -6.583 1.00 20.00 O ATOM 314 CB ARG A 425 7.290 -14.454 -8.781 1.00 20.00 C ATOM 315 CG ARG A 425 8.557 -14.809 -7.979 1.00 20.00 C ATOM 316 CD ARG A 425 9.134 -16.176 -8.374 1.00 20.00 C ATOM 317 NE ARG A 425 9.653 -16.190 -9.758 1.00 20.00 N ATOM 318 CZ ARG A 425 10.084 -17.245 -10.427 1.00 20.00 C ATOM 319 NH1 ARG A 425 10.109 -18.438 -9.903 1.00 20.00 N ATOM 320 NH2 ARG A 425 10.507 -17.121 -11.653 1.00 20.00 N ATOM 0 H ARG A 425 8.260 -11.792 -7.981 1.00 20.00 H new ATOM 0 HA ARG A 425 5.761 -12.905 -8.977 1.00 20.00 H new ATOM 0 HB2 ARG A 425 6.549 -15.241 -8.638 1.00 20.00 H new ATOM 0 HB3 ARG A 425 7.537 -14.438 -9.843 1.00 20.00 H new ATOM 0 HG2 ARG A 425 9.312 -14.039 -8.138 1.00 20.00 H new ATOM 0 HG3 ARG A 425 8.322 -14.810 -6.915 1.00 20.00 H new ATOM 0 HD2 ARG A 425 9.936 -16.441 -7.685 1.00 20.00 H new ATOM 0 HD3 ARG A 425 8.361 -16.937 -8.271 1.00 20.00 H new ATOM 0 HE ARG A 425 9.681 -15.295 -10.246 1.00 20.00 H new ATOM 0 HH11 ARG A 425 9.789 -18.581 -8.945 1.00 20.00 H new ATOM 0 HH12 ARG A 425 10.449 -19.229 -10.451 1.00 20.00 H new ATOM 0 HH21 ARG A 425 10.507 -16.205 -12.102 1.00 20.00 H new ATOM 0 HH22 ARG A 425 10.838 -17.940 -12.163 1.00 20.00 H new ATOM 334 N CYS A 426 6.431 -12.077 -6.144 1.00 20.00 N ATOM 335 CA CYS A 426 6.225 -12.134 -4.691 1.00 20.00 C ATOM 336 C CYS A 426 4.779 -12.474 -4.271 1.00 20.00 C ATOM 337 O CYS A 426 3.807 -12.026 -4.879 1.00 20.00 O ATOM 338 CB CYS A 426 6.828 -10.948 -3.920 1.00 20.00 C ATOM 339 SG CYS A 426 7.552 -9.641 -4.913 1.00 20.00 S ATOM 0 H CYS A 426 6.835 -11.200 -6.473 1.00 20.00 H new ATOM 0 HA CYS A 426 6.815 -12.995 -4.376 1.00 20.00 H new ATOM 0 HB2 CYS A 426 6.047 -10.512 -3.297 1.00 20.00 H new ATOM 0 HB3 CYS A 426 7.595 -11.332 -3.247 1.00 20.00 H new ATOM 0 HG CYS A 426 6.670 -8.707 -5.111 1.00 20.00 H new ATOM 344 N LYS A 427 4.645 -13.284 -3.213 1.00 20.00 N ATOM 345 CA LYS A 427 3.422 -14.042 -2.880 1.00 20.00 C ATOM 346 C LYS A 427 2.241 -13.210 -2.366 1.00 20.00 C ATOM 347 O LYS A 427 1.208 -13.782 -2.017 1.00 20.00 O ATOM 348 CB LYS A 427 3.763 -15.173 -1.888 1.00 20.00 C ATOM 349 CG LYS A 427 4.778 -16.182 -2.451 1.00 20.00 C ATOM 350 CD LYS A 427 5.015 -17.377 -1.514 1.00 20.00 C ATOM 351 CE LYS A 427 5.645 -16.953 -0.178 1.00 20.00 C ATOM 352 NZ LYS A 427 5.918 -18.125 0.696 1.00 20.00 N ATOM 0 H LYS A 427 5.401 -13.437 -2.545 1.00 20.00 H new ATOM 0 HA LYS A 427 3.071 -14.448 -3.828 1.00 20.00 H new ATOM 0 HB2 LYS A 427 4.162 -14.737 -0.972 1.00 20.00 H new ATOM 0 HB3 LYS A 427 2.848 -15.700 -1.618 1.00 20.00 H new ATOM 0 HG2 LYS A 427 4.423 -16.547 -3.415 1.00 20.00 H new ATOM 0 HG3 LYS A 427 5.726 -15.674 -2.631 1.00 20.00 H new ATOM 0 HD2 LYS A 427 4.067 -17.880 -1.323 1.00 20.00 H new ATOM 0 HD3 LYS A 427 5.665 -18.099 -2.007 1.00 20.00 H new ATOM 0 HE2 LYS A 427 6.574 -16.416 -0.368 1.00 20.00 H new ATOM 0 HE3 LYS A 427 4.977 -16.262 0.337 1.00 20.00 H new ATOM 0 HZ1 LYS A 427 6.343 -17.801 1.588 1.00 20.00 H new ATOM 0 HZ2 LYS A 427 5.027 -18.623 0.897 1.00 20.00 H new ATOM 0 HZ3 LYS A 427 6.575 -18.772 0.215 1.00 20.00 H new ATOM 366 N TYR A 428 2.376 -11.892 -2.318 1.00 20.00 N ATOM 367 CA TYR A 428 1.524 -10.973 -1.579 1.00 20.00 C ATOM 368 C TYR A 428 0.715 -10.114 -2.546 1.00 20.00 C ATOM 369 O TYR A 428 1.030 -10.028 -3.737 1.00 20.00 O ATOM 370 CB TYR A 428 2.442 -10.139 -0.670 1.00 20.00 C ATOM 371 CG TYR A 428 3.324 -11.013 0.204 1.00 20.00 C ATOM 372 CD1 TYR A 428 4.577 -11.443 -0.276 1.00 20.00 C ATOM 373 CD2 TYR A 428 2.827 -11.514 1.419 1.00 20.00 C ATOM 374 CE1 TYR A 428 5.304 -12.423 0.423 1.00 20.00 C ATOM 375 CE2 TYR A 428 3.576 -12.457 2.151 1.00 20.00 C ATOM 376 CZ TYR A 428 4.810 -12.926 1.647 1.00 20.00 C ATOM 377 OH TYR A 428 5.509 -13.870 2.336 1.00 20.00 O ATOM 0 H TYR A 428 3.122 -11.411 -2.820 1.00 20.00 H new ATOM 0 HA TYR A 428 0.796 -11.502 -0.964 1.00 20.00 H new ATOM 0 HB2 TYR A 428 3.068 -9.491 -1.284 1.00 20.00 H new ATOM 0 HB3 TYR A 428 1.835 -9.491 -0.038 1.00 20.00 H new ATOM 0 HD1 TYR A 428 4.980 -11.019 -1.184 1.00 20.00 H new ATOM 0 HD2 TYR A 428 1.871 -11.177 1.792 1.00 20.00 H new ATOM 0 HE1 TYR A 428 6.238 -12.790 0.025 1.00 20.00 H new ATOM 0 HE2 TYR A 428 3.206 -12.822 3.098 1.00 20.00 H new ATOM 0 HH TYR A 428 5.025 -14.102 3.156 1.00 20.00 H new ATOM 387 N ARG A 429 -0.310 -9.434 -2.037 1.00 20.00 N ATOM 388 CA ARG A 429 -1.021 -8.411 -2.813 1.00 20.00 C ATOM 389 C ARG A 429 -0.059 -7.290 -3.222 1.00 20.00 C ATOM 390 O ARG A 429 0.862 -6.967 -2.481 1.00 20.00 O ATOM 391 CB ARG A 429 -2.281 -7.951 -2.060 1.00 20.00 C ATOM 392 CG ARG A 429 -3.253 -9.117 -1.812 1.00 20.00 C ATOM 393 CD ARG A 429 -4.646 -8.650 -1.377 1.00 20.00 C ATOM 394 NE ARG A 429 -4.744 -8.286 0.047 1.00 20.00 N ATOM 395 CZ ARG A 429 -5.869 -8.004 0.683 1.00 20.00 C ATOM 396 NH1 ARG A 429 -7.007 -7.867 0.068 1.00 20.00 N ATOM 397 NH2 ARG A 429 -5.887 -7.912 1.976 1.00 20.00 N ATOM 0 H ARG A 429 -0.669 -9.570 -1.092 1.00 20.00 H new ATOM 0 HA ARG A 429 -1.387 -8.827 -3.752 1.00 20.00 H new ATOM 0 HB2 ARG A 429 -1.994 -7.508 -1.107 1.00 20.00 H new ATOM 0 HB3 ARG A 429 -2.785 -7.173 -2.634 1.00 20.00 H new ATOM 0 HG2 ARG A 429 -3.342 -9.709 -2.723 1.00 20.00 H new ATOM 0 HG3 ARG A 429 -2.839 -9.772 -1.045 1.00 20.00 H new ATOM 0 HD2 ARG A 429 -4.933 -7.789 -1.981 1.00 20.00 H new ATOM 0 HD3 ARG A 429 -5.365 -9.442 -1.588 1.00 20.00 H new ATOM 0 HE ARG A 429 -3.878 -8.249 0.584 1.00 20.00 H new ATOM 0 HH11 ARG A 429 -7.056 -7.977 -0.945 1.00 20.00 H new ATOM 0 HH12 ARG A 429 -7.850 -7.649 0.599 1.00 20.00 H new ATOM 0 HH21 ARG A 429 -5.030 -8.057 2.510 1.00 20.00 H new ATOM 0 HH22 ARG A 429 -6.758 -7.694 2.460 1.00 20.00 H new ATOM 411 N HIS A 430 -0.229 -6.733 -4.416 1.00 20.00 N ATOM 412 CA HIS A 430 0.580 -5.635 -4.958 1.00 20.00 C ATOM 413 C HIS A 430 -0.343 -4.517 -5.487 1.00 20.00 C ATOM 414 O HIS A 430 -1.268 -4.789 -6.257 1.00 20.00 O ATOM 415 CB HIS A 430 1.505 -6.172 -6.073 1.00 20.00 C ATOM 416 CG HIS A 430 2.671 -7.048 -5.641 1.00 20.00 C ATOM 417 ND1 HIS A 430 2.831 -8.409 -5.874 1.00 20.00 N ATOM 418 CD2 HIS A 430 3.842 -6.611 -5.079 1.00 20.00 C ATOM 419 CE1 HIS A 430 4.056 -8.790 -5.452 1.00 20.00 C ATOM 420 NE2 HIS A 430 4.703 -7.702 -5.018 1.00 20.00 N ATOM 0 H HIS A 430 -0.958 -7.041 -5.060 1.00 20.00 H new ATOM 0 HA HIS A 430 1.204 -5.214 -4.170 1.00 20.00 H new ATOM 0 HB2 HIS A 430 0.895 -6.742 -6.774 1.00 20.00 H new ATOM 0 HB3 HIS A 430 1.907 -5.319 -6.620 1.00 20.00 H new ATOM 0 HD1 HIS A 430 2.134 -9.022 -6.296 1.00 20.00 H new ATOM 0 HD2 HIS A 430 4.057 -5.606 -4.745 1.00 20.00 H new ATOM 0 HE1 HIS A 430 4.446 -9.797 -5.463 1.00 20.00 H new ATOM 428 N ALA A 431 -0.099 -3.257 -5.096 1.00 20.00 N ATOM 429 CA ALA A 431 -0.856 -2.097 -5.590 1.00 20.00 C ATOM 430 C ALA A 431 -0.674 -1.890 -7.112 1.00 20.00 C ATOM 431 O ALA A 431 0.389 -2.182 -7.669 1.00 20.00 O ATOM 432 CB ALA A 431 -0.464 -0.839 -4.792 1.00 20.00 C ATOM 0 H ALA A 431 0.631 -3.013 -4.426 1.00 20.00 H new ATOM 0 HA ALA A 431 -1.917 -2.290 -5.434 1.00 20.00 H new ATOM 0 HB1 ALA A 431 -1.028 0.017 -5.162 1.00 20.00 H new ATOM 0 HB2 ALA A 431 -0.689 -0.993 -3.737 1.00 20.00 H new ATOM 0 HB3 ALA A 431 0.603 -0.650 -4.912 1.00 20.00 H new ATOM 438 N ARG A 432 -1.711 -1.357 -7.772 1.00 20.00 N ATOM 439 CA ARG A 432 -1.751 -1.034 -9.217 1.00 20.00 C ATOM 440 C ARG A 432 -2.619 0.199 -9.529 1.00 20.00 C ATOM 441 O ARG A 432 -2.355 0.908 -10.499 1.00 20.00 O ATOM 442 CB ARG A 432 -2.214 -2.295 -9.975 1.00 20.00 C ATOM 443 CG ARG A 432 -2.162 -2.140 -11.503 1.00 20.00 C ATOM 444 CD ARG A 432 -2.424 -3.482 -12.200 1.00 20.00 C ATOM 445 NE ARG A 432 -2.449 -3.327 -13.668 1.00 20.00 N ATOM 446 CZ ARG A 432 -2.664 -4.279 -14.559 1.00 20.00 C ATOM 447 NH1 ARG A 432 -2.884 -5.518 -14.214 1.00 20.00 N ATOM 448 NH2 ARG A 432 -2.664 -4.003 -15.832 1.00 20.00 N ATOM 0 H ARG A 432 -2.585 -1.127 -7.300 1.00 20.00 H new ATOM 0 HA ARG A 432 -0.753 -0.754 -9.553 1.00 20.00 H new ATOM 0 HB2 ARG A 432 -1.588 -3.137 -9.681 1.00 20.00 H new ATOM 0 HB3 ARG A 432 -3.234 -2.536 -9.676 1.00 20.00 H new ATOM 0 HG2 ARG A 432 -2.904 -1.408 -11.824 1.00 20.00 H new ATOM 0 HG3 ARG A 432 -1.186 -1.756 -11.800 1.00 20.00 H new ATOM 0 HD2 ARG A 432 -1.650 -4.197 -11.921 1.00 20.00 H new ATOM 0 HD3 ARG A 432 -3.375 -3.892 -11.859 1.00 20.00 H new ATOM 0 HE ARG A 432 -2.283 -2.389 -14.032 1.00 20.00 H new ATOM 0 HH11 ARG A 432 -2.894 -5.779 -13.228 1.00 20.00 H new ATOM 0 HH12 ARG A 432 -3.046 -6.226 -14.930 1.00 20.00 H new ATOM 0 HH21 ARG A 432 -2.497 -3.047 -16.147 1.00 20.00 H new ATOM 0 HH22 ARG A 432 -2.831 -4.743 -16.514 1.00 20.00 H new ATOM 462 N SER A 433 -3.601 0.492 -8.676 1.00 20.00 N ATOM 463 CA SER A 433 -4.410 1.715 -8.622 1.00 20.00 C ATOM 464 C SER A 433 -4.094 2.500 -7.341 1.00 20.00 C ATOM 465 O SER A 433 -3.644 1.936 -6.341 1.00 20.00 O ATOM 466 CB SER A 433 -5.897 1.350 -8.684 1.00 20.00 C ATOM 467 OG SER A 433 -6.690 2.524 -8.662 1.00 20.00 O ATOM 0 H SER A 433 -3.874 -0.169 -7.948 1.00 20.00 H new ATOM 0 HA SER A 433 -4.169 2.347 -9.477 1.00 20.00 H new ATOM 0 HB2 SER A 433 -6.102 0.781 -9.591 1.00 20.00 H new ATOM 0 HB3 SER A 433 -6.158 0.710 -7.841 1.00 20.00 H new ATOM 0 HG SER A 433 -7.638 2.279 -8.704 1.00 20.00 H new ATOM 473 N HIS A 434 -4.319 3.813 -7.371 1.00 20.00 N ATOM 474 CA HIS A 434 -3.941 4.754 -6.307 1.00 20.00 C ATOM 475 C HIS A 434 -4.880 4.749 -5.090 1.00 20.00 C ATOM 476 O HIS A 434 -4.546 5.340 -4.061 1.00 20.00 O ATOM 477 CB HIS A 434 -3.827 6.158 -6.916 1.00 20.00 C ATOM 478 CG HIS A 434 -5.128 6.690 -7.467 1.00 20.00 C ATOM 479 ND1 HIS A 434 -6.097 7.380 -6.736 1.00 20.00 N ATOM 480 CD2 HIS A 434 -5.568 6.538 -8.750 1.00 20.00 C ATOM 481 CE1 HIS A 434 -7.103 7.620 -7.594 1.00 20.00 C ATOM 482 NE2 HIS A 434 -6.810 7.130 -8.809 1.00 20.00 N ATOM 0 H HIS A 434 -4.782 4.269 -8.157 1.00 20.00 H new ATOM 0 HA HIS A 434 -2.981 4.426 -5.909 1.00 20.00 H new ATOM 0 HB2 HIS A 434 -3.457 6.845 -6.155 1.00 20.00 H new ATOM 0 HB3 HIS A 434 -3.086 6.138 -7.715 1.00 20.00 H new ATOM 0 HD2 HIS A 434 -5.045 6.050 -9.559 1.00 20.00 H new ATOM 0 HE1 HIS A 434 -8.018 8.135 -7.342 1.00 20.00 H new ATOM 0 HE2 HIS A 434 -7.406 7.187 -9.635 1.00 20.00 H new ATOM 490 N ILE A 435 -6.046 4.100 -5.188 1.00 20.00 N ATOM 491 CA ILE A 435 -7.118 4.231 -4.193 1.00 20.00 C ATOM 492 C ILE A 435 -6.856 3.287 -3.019 1.00 20.00 C ATOM 493 O ILE A 435 -6.438 2.150 -3.223 1.00 20.00 O ATOM 494 CB ILE A 435 -8.506 4.027 -4.848 1.00 20.00 C ATOM 495 CG1 ILE A 435 -8.719 5.111 -5.930 1.00 20.00 C ATOM 496 CG2 ILE A 435 -9.636 4.057 -3.801 1.00 20.00 C ATOM 497 CD1 ILE A 435 -10.102 5.099 -6.584 1.00 20.00 C ATOM 0 H ILE A 435 -6.273 3.470 -5.958 1.00 20.00 H new ATOM 0 HA ILE A 435 -7.124 5.244 -3.791 1.00 20.00 H new ATOM 0 HB ILE A 435 -8.535 3.042 -5.314 1.00 20.00 H new ATOM 0 HG12 ILE A 435 -8.553 6.090 -5.481 1.00 20.00 H new ATOM 0 HG13 ILE A 435 -7.964 4.984 -6.706 1.00 20.00 H new ATOM 0 HG21 ILE A 435 -10.596 3.911 -4.297 1.00 20.00 H new ATOM 0 HG22 ILE A 435 -9.479 3.261 -3.073 1.00 20.00 H new ATOM 0 HG23 ILE A 435 -9.634 5.020 -3.291 1.00 20.00 H new ATOM 0 HD11 ILE A 435 -10.159 5.893 -7.329 1.00 20.00 H new ATOM 0 HD12 ILE A 435 -10.268 4.136 -7.067 1.00 20.00 H new ATOM 0 HD13 ILE A 435 -10.866 5.260 -5.823 1.00 20.00 H new ATOM 509 N MET A 436 -7.114 3.746 -1.793 1.00 20.00 N ATOM 510 CA MET A 436 -7.037 2.923 -0.578 1.00 20.00 C ATOM 511 C MET A 436 -8.364 2.193 -0.348 1.00 20.00 C ATOM 512 O MET A 436 -9.442 2.786 -0.453 1.00 20.00 O ATOM 513 CB MET A 436 -6.621 3.766 0.645 1.00 20.00 C ATOM 514 CG MET A 436 -5.197 3.424 1.097 1.00 20.00 C ATOM 515 SD MET A 436 -3.909 3.733 -0.145 1.00 20.00 S ATOM 516 CE MET A 436 -2.558 2.764 0.577 1.00 20.00 C ATOM 0 H MET A 436 -7.386 4.712 -1.610 1.00 20.00 H new ATOM 0 HA MET A 436 -6.261 2.170 -0.717 1.00 20.00 H new ATOM 0 HB2 MET A 436 -6.682 4.826 0.397 1.00 20.00 H new ATOM 0 HB3 MET A 436 -7.317 3.590 1.465 1.00 20.00 H new ATOM 0 HG2 MET A 436 -4.966 4.003 1.991 1.00 20.00 H new ATOM 0 HG3 MET A 436 -5.164 2.372 1.381 1.00 20.00 H new ATOM 0 HE1 MET A 436 -1.754 2.661 -0.152 1.00 20.00 H new ATOM 0 HE2 MET A 436 -2.180 3.271 1.465 1.00 20.00 H new ATOM 0 HE3 MET A 436 -2.926 1.776 0.853 1.00 20.00 H new ATOM 526 N CYS A 437 -8.279 0.896 -0.057 1.00 20.00 N ATOM 527 CA CYS A 437 -9.411 -0.015 -0.162 1.00 20.00 C ATOM 528 C CYS A 437 -10.510 0.204 0.897 1.00 20.00 C ATOM 529 O CYS A 437 -10.240 0.608 2.035 1.00 20.00 O ATOM 530 CB CYS A 437 -8.858 -1.432 -0.137 1.00 20.00 C ATOM 531 SG CYS A 437 -10.131 -2.627 -0.666 1.00 20.00 S ATOM 0 H CYS A 437 -7.419 0.449 0.259 1.00 20.00 H new ATOM 0 HA CYS A 437 -9.929 0.184 -1.100 1.00 20.00 H new ATOM 0 HB2 CYS A 437 -7.991 -1.501 -0.794 1.00 20.00 H new ATOM 0 HB3 CYS A 437 -8.517 -1.677 0.869 1.00 20.00 H new ATOM 0 HG CYS A 437 -9.763 -3.829 -0.333 1.00 20.00 H new ATOM 536 N ARG A 438 -11.753 -0.132 0.527 1.00 20.00 N ATOM 537 CA ARG A 438 -12.970 -0.002 1.356 1.00 20.00 C ATOM 538 C ARG A 438 -12.920 -0.763 2.677 1.00 20.00 C ATOM 539 O ARG A 438 -13.549 -0.350 3.651 1.00 20.00 O ATOM 540 CB ARG A 438 -14.204 -0.416 0.526 1.00 20.00 C ATOM 541 CG ARG A 438 -14.334 -1.944 0.405 1.00 20.00 C ATOM 542 CD ARG A 438 -15.525 -2.409 -0.435 1.00 20.00 C ATOM 543 NE ARG A 438 -15.731 -3.851 -0.217 1.00 20.00 N ATOM 544 CZ ARG A 438 -16.509 -4.690 -0.864 1.00 20.00 C ATOM 545 NH1 ARG A 438 -17.238 -4.343 -1.888 1.00 20.00 N ATOM 546 NH2 ARG A 438 -16.548 -5.919 -0.447 1.00 20.00 N ATOM 0 H ARG A 438 -11.952 -0.518 -0.396 1.00 20.00 H new ATOM 0 HA ARG A 438 -13.040 1.048 1.641 1.00 20.00 H new ATOM 0 HB2 ARG A 438 -15.104 -0.012 0.989 1.00 20.00 H new ATOM 0 HB3 ARG A 438 -14.134 0.021 -0.470 1.00 20.00 H new ATOM 0 HG2 ARG A 438 -13.418 -2.341 -0.033 1.00 20.00 H new ATOM 0 HG3 ARG A 438 -14.421 -2.370 1.405 1.00 20.00 H new ATOM 0 HD2 ARG A 438 -16.421 -1.854 -0.157 1.00 20.00 H new ATOM 0 HD3 ARG A 438 -15.342 -2.210 -1.491 1.00 20.00 H new ATOM 0 HE ARG A 438 -15.191 -4.258 0.547 1.00 20.00 H new ATOM 0 HH11 ARG A 438 -17.221 -3.380 -2.223 1.00 20.00 H new ATOM 0 HH12 ARG A 438 -17.825 -5.035 -2.354 1.00 20.00 H new ATOM 0 HH21 ARG A 438 -15.987 -6.203 0.356 1.00 20.00 H new ATOM 0 HH22 ARG A 438 -17.140 -6.600 -0.923 1.00 20.00 H new ATOM 560 N GLU A 439 -12.186 -1.872 2.693 1.00 20.00 N ATOM 561 CA GLU A 439 -12.031 -2.743 3.861 1.00 20.00 C ATOM 562 C GLU A 439 -10.624 -2.660 4.483 1.00 20.00 C ATOM 563 O GLU A 439 -10.355 -3.254 5.529 1.00 20.00 O ATOM 564 CB GLU A 439 -12.439 -4.183 3.497 1.00 20.00 C ATOM 565 CG GLU A 439 -13.949 -4.377 3.649 1.00 20.00 C ATOM 566 CD GLU A 439 -14.437 -5.677 2.982 1.00 20.00 C ATOM 567 OE1 GLU A 439 -14.432 -6.744 3.642 1.00 20.00 O ATOM 568 OE2 GLU A 439 -14.868 -5.625 1.803 1.00 20.00 O ATOM 0 H GLU A 439 -11.669 -2.200 1.877 1.00 20.00 H new ATOM 0 HA GLU A 439 -12.704 -2.388 4.642 1.00 20.00 H new ATOM 0 HB2 GLU A 439 -12.142 -4.401 2.471 1.00 20.00 H new ATOM 0 HB3 GLU A 439 -11.911 -4.888 4.139 1.00 20.00 H new ATOM 0 HG2 GLU A 439 -14.207 -4.395 4.708 1.00 20.00 H new ATOM 0 HG3 GLU A 439 -14.469 -3.527 3.208 1.00 20.00 H new ATOM 575 N GLY A 440 -9.712 -1.921 3.847 1.00 20.00 N ATOM 576 CA GLY A 440 -8.310 -1.801 4.249 1.00 20.00 C ATOM 577 C GLY A 440 -7.611 -3.162 4.249 1.00 20.00 C ATOM 578 O GLY A 440 -7.656 -3.898 3.265 1.00 20.00 O ATOM 0 H GLY A 440 -9.935 -1.375 3.015 1.00 20.00 H new ATOM 0 HA2 GLY A 440 -7.792 -1.124 3.570 1.00 20.00 H new ATOM 0 HA3 GLY A 440 -8.252 -1.360 5.244 1.00 20.00 H new ATOM 582 N ALA A 441 -6.984 -3.512 5.373 1.00 20.00 N ATOM 583 CA ALA A 441 -6.339 -4.814 5.580 1.00 20.00 C ATOM 584 C ALA A 441 -7.317 -5.941 5.997 1.00 20.00 C ATOM 585 O ALA A 441 -6.908 -7.098 6.098 1.00 20.00 O ATOM 586 CB ALA A 441 -5.186 -4.635 6.572 1.00 20.00 C ATOM 0 H ALA A 441 -6.908 -2.891 6.179 1.00 20.00 H new ATOM 0 HA ALA A 441 -5.947 -5.155 4.622 1.00 20.00 H new ATOM 0 HB1 ALA A 441 -4.696 -5.594 6.737 1.00 20.00 H new ATOM 0 HB2 ALA A 441 -4.465 -3.924 6.168 1.00 20.00 H new ATOM 0 HB3 ALA A 441 -5.575 -4.259 7.518 1.00 20.00 H new ATOM 592 N ASN A 442 -8.607 -5.633 6.206 1.00 20.00 N ATOM 593 CA ASN A 442 -9.656 -6.634 6.452 1.00 20.00 C ATOM 594 C ASN A 442 -10.168 -7.245 5.132 1.00 20.00 C ATOM 595 O ASN A 442 -10.823 -8.290 5.142 1.00 20.00 O ATOM 596 CB ASN A 442 -10.818 -6.007 7.249 1.00 20.00 C ATOM 597 CG ASN A 442 -10.376 -5.231 8.479 1.00 20.00 C ATOM 598 OD1 ASN A 442 -10.172 -5.778 9.554 1.00 20.00 O ATOM 599 ND2 ASN A 442 -10.210 -3.932 8.356 1.00 20.00 N ATOM 0 H ASN A 442 -8.954 -4.674 6.209 1.00 20.00 H new ATOM 0 HA ASN A 442 -9.222 -7.440 7.043 1.00 20.00 H new ATOM 0 HB2 ASN A 442 -11.377 -5.340 6.593 1.00 20.00 H new ATOM 0 HB3 ASN A 442 -11.502 -6.798 7.557 1.00 20.00 H new ATOM 0 HD21 ASN A 442 -9.910 -3.378 9.158 1.00 20.00 H new ATOM 0 HD22 ASN A 442 -10.381 -3.479 7.458 1.00 20.00 H new ATOM 606 N CYS A 443 -9.863 -6.588 4.006 1.00 20.00 N ATOM 607 CA CYS A 443 -10.225 -6.983 2.654 1.00 20.00 C ATOM 608 C CYS A 443 -9.756 -8.412 2.337 1.00 20.00 C ATOM 609 O CYS A 443 -8.580 -8.731 2.539 1.00 20.00 O ATOM 610 CB CYS A 443 -9.570 -5.973 1.713 1.00 20.00 C ATOM 611 SG CYS A 443 -9.899 -6.386 -0.036 1.00 20.00 S ATOM 0 H CYS A 443 -9.328 -5.720 4.023 1.00 20.00 H new ATOM 0 HA CYS A 443 -11.309 -6.986 2.535 1.00 20.00 H new ATOM 0 HB2 CYS A 443 -9.946 -4.973 1.930 1.00 20.00 H new ATOM 0 HB3 CYS A 443 -8.494 -5.954 1.888 1.00 20.00 H new ATOM 0 HG CYS A 443 -9.022 -5.796 -0.793 1.00 20.00 H new ATOM 616 N THR A 444 -10.645 -9.243 1.791 1.00 20.00 N ATOM 617 CA THR A 444 -10.371 -10.635 1.383 1.00 20.00 C ATOM 618 C THR A 444 -10.004 -10.793 -0.096 1.00 20.00 C ATOM 619 O THR A 444 -9.812 -11.917 -0.569 1.00 20.00 O ATOM 620 CB THR A 444 -11.535 -11.566 1.762 1.00 20.00 C ATOM 621 OG1 THR A 444 -12.769 -11.023 1.332 1.00 20.00 O ATOM 622 CG2 THR A 444 -11.591 -11.771 3.275 1.00 20.00 C ATOM 0 H THR A 444 -11.609 -8.963 1.612 1.00 20.00 H new ATOM 0 HA THR A 444 -9.483 -10.931 1.942 1.00 20.00 H new ATOM 0 HB THR A 444 -11.365 -12.523 1.269 1.00 20.00 H new ATOM 0 HG1 THR A 444 -13.498 -11.630 1.580 1.00 20.00 H new ATOM 0 HG21 THR A 444 -12.421 -12.433 3.522 1.00 20.00 H new ATOM 0 HG22 THR A 444 -10.657 -12.218 3.616 1.00 20.00 H new ATOM 0 HG23 THR A 444 -11.735 -10.809 3.767 1.00 20.00 H new ATOM 630 N ARG A 445 -9.880 -9.692 -0.851 1.00 20.00 N ATOM 631 CA ARG A 445 -9.683 -9.708 -2.310 1.00 20.00 C ATOM 632 C ARG A 445 -8.203 -9.761 -2.700 1.00 20.00 C ATOM 633 O ARG A 445 -7.493 -8.761 -2.572 1.00 20.00 O ATOM 634 CB ARG A 445 -10.392 -8.475 -2.902 1.00 20.00 C ATOM 635 CG ARG A 445 -10.574 -8.581 -4.423 1.00 20.00 C ATOM 636 CD ARG A 445 -11.510 -7.497 -4.969 1.00 20.00 C ATOM 637 NE ARG A 445 -11.274 -7.236 -6.405 1.00 20.00 N ATOM 638 CZ ARG A 445 -11.124 -6.062 -6.991 1.00 20.00 C ATOM 639 NH1 ARG A 445 -11.013 -4.944 -6.331 1.00 20.00 N ATOM 640 NH2 ARG A 445 -11.073 -6.009 -8.286 1.00 20.00 N ATOM 0 H ARG A 445 -9.914 -8.750 -0.460 1.00 20.00 H new ATOM 0 HA ARG A 445 -10.119 -10.618 -2.722 1.00 20.00 H new ATOM 0 HB2 ARG A 445 -11.367 -8.358 -2.429 1.00 20.00 H new ATOM 0 HB3 ARG A 445 -9.815 -7.580 -2.669 1.00 20.00 H new ATOM 0 HG2 ARG A 445 -9.602 -8.499 -4.910 1.00 20.00 H new ATOM 0 HG3 ARG A 445 -10.974 -9.564 -4.672 1.00 20.00 H new ATOM 0 HD2 ARG A 445 -12.546 -7.804 -4.821 1.00 20.00 H new ATOM 0 HD3 ARG A 445 -11.367 -6.576 -4.404 1.00 20.00 H new ATOM 0 HE ARG A 445 -11.221 -8.055 -7.011 1.00 20.00 H new ATOM 0 HH11 ARG A 445 -11.040 -4.949 -5.311 1.00 20.00 H new ATOM 0 HH12 ARG A 445 -10.899 -4.064 -6.834 1.00 20.00 H new ATOM 0 HH21 ARG A 445 -11.148 -6.865 -8.835 1.00 20.00 H new ATOM 0 HH22 ARG A 445 -10.958 -5.111 -8.756 1.00 20.00 H new ATOM 654 N ILE A 446 -7.742 -10.891 -3.238 1.00 20.00 N ATOM 655 CA ILE A 446 -6.422 -11.013 -3.897 1.00 20.00 C ATOM 656 C ILE A 446 -6.396 -10.245 -5.234 1.00 20.00 C ATOM 657 O ILE A 446 -5.367 -9.707 -5.637 1.00 20.00 O ATOM 658 CB ILE A 446 -6.045 -12.510 -4.043 1.00 20.00 C ATOM 659 CG1 ILE A 446 -5.914 -13.215 -2.671 1.00 20.00 C ATOM 660 CG2 ILE A 446 -4.766 -12.710 -4.871 1.00 20.00 C ATOM 661 CD1 ILE A 446 -4.791 -12.706 -1.759 1.00 20.00 C ATOM 0 H ILE A 446 -8.273 -11.762 -3.233 1.00 20.00 H new ATOM 0 HA ILE A 446 -5.659 -10.548 -3.273 1.00 20.00 H new ATOM 0 HB ILE A 446 -6.870 -12.975 -4.583 1.00 20.00 H new ATOM 0 HG12 ILE A 446 -6.861 -13.113 -2.140 1.00 20.00 H new ATOM 0 HG13 ILE A 446 -5.759 -14.280 -2.845 1.00 20.00 H new ATOM 0 HG21 ILE A 446 -4.543 -13.774 -4.945 1.00 20.00 H new ATOM 0 HG22 ILE A 446 -4.911 -12.299 -5.870 1.00 20.00 H new ATOM 0 HG23 ILE A 446 -3.935 -12.198 -4.386 1.00 20.00 H new ATOM 0 HD11 ILE A 446 -4.794 -13.272 -0.827 1.00 20.00 H new ATOM 0 HD12 ILE A 446 -3.831 -12.834 -2.258 1.00 20.00 H new ATOM 0 HD13 ILE A 446 -4.949 -11.649 -1.542 1.00 20.00 H new ATOM 673 N ASP A 447 -7.556 -10.129 -5.884 1.00 20.00 N ATOM 674 CA ASP A 447 -7.775 -9.450 -7.165 1.00 20.00 C ATOM 675 C ASP A 447 -7.713 -7.905 -7.083 1.00 20.00 C ATOM 676 O ASP A 447 -7.777 -7.243 -8.122 1.00 20.00 O ATOM 677 CB ASP A 447 -9.125 -9.966 -7.700 1.00 20.00 C ATOM 678 CG ASP A 447 -9.563 -9.366 -9.047 1.00 20.00 C ATOM 679 OD1 ASP A 447 -8.941 -9.685 -10.088 1.00 20.00 O ATOM 680 OD2 ASP A 447 -10.574 -8.621 -9.058 1.00 20.00 O ATOM 0 H ASP A 447 -8.417 -10.529 -5.510 1.00 20.00 H new ATOM 0 HA ASP A 447 -6.962 -9.687 -7.851 1.00 20.00 H new ATOM 0 HB2 ASP A 447 -9.067 -11.050 -7.804 1.00 20.00 H new ATOM 0 HB3 ASP A 447 -9.896 -9.757 -6.959 1.00 20.00 H new ATOM 685 N CYS A 448 -7.585 -7.296 -5.893 1.00 20.00 N ATOM 686 CA CYS A 448 -7.623 -5.857 -5.733 1.00 20.00 C ATOM 687 C CYS A 448 -6.388 -5.170 -6.331 1.00 20.00 C ATOM 688 O CYS A 448 -5.246 -5.608 -6.162 1.00 20.00 O ATOM 689 CB CYS A 448 -7.789 -5.569 -4.266 1.00 20.00 C ATOM 690 SG CYS A 448 -9.412 -4.975 -3.691 1.00 20.00 S ATOM 0 H CYS A 448 -7.452 -7.803 -5.018 1.00 20.00 H new ATOM 0 HA CYS A 448 -8.465 -5.443 -6.288 1.00 20.00 H new ATOM 0 HB2 CYS A 448 -7.554 -6.481 -3.718 1.00 20.00 H new ATOM 0 HB3 CYS A 448 -7.042 -4.826 -3.985 1.00 20.00 H new ATOM 0 HG CYS A 448 -9.539 -3.713 -3.977 1.00 20.00 H new ATOM 695 N LEU A 449 -6.643 -4.026 -6.960 1.00 20.00 N ATOM 696 CA LEU A 449 -5.633 -3.106 -7.477 1.00 20.00 C ATOM 697 C LEU A 449 -5.253 -2.044 -6.434 1.00 20.00 C ATOM 698 O LEU A 449 -4.335 -1.257 -6.649 1.00 20.00 O ATOM 699 CB LEU A 449 -6.170 -2.443 -8.761 1.00 20.00 C ATOM 700 CG LEU A 449 -6.608 -3.443 -9.855 1.00 20.00 C ATOM 701 CD1 LEU A 449 -8.100 -3.798 -9.790 1.00 20.00 C ATOM 702 CD2 LEU A 449 -6.354 -2.842 -11.239 1.00 20.00 C ATOM 0 H LEU A 449 -7.595 -3.702 -7.130 1.00 20.00 H new ATOM 0 HA LEU A 449 -4.727 -3.668 -7.706 1.00 20.00 H new ATOM 0 HB2 LEU A 449 -7.019 -1.810 -8.502 1.00 20.00 H new ATOM 0 HB3 LEU A 449 -5.399 -1.790 -9.169 1.00 20.00 H new ATOM 0 HG LEU A 449 -6.024 -4.347 -9.682 1.00 20.00 H new ATOM 0 HD11 LEU A 449 -8.341 -4.504 -10.585 1.00 20.00 H new ATOM 0 HD12 LEU A 449 -8.325 -4.249 -8.824 1.00 20.00 H new ATOM 0 HD13 LEU A 449 -8.695 -2.893 -9.915 1.00 20.00 H new ATOM 0 HD21 LEU A 449 -6.665 -3.551 -12.006 1.00 20.00 H new ATOM 0 HD22 LEU A 449 -6.925 -1.919 -11.345 1.00 20.00 H new ATOM 0 HD23 LEU A 449 -5.292 -2.627 -11.353 1.00 20.00 H new ATOM 714 N PHE A 450 -5.982 -1.986 -5.324 1.00 20.00 N ATOM 715 CA PHE A 450 -5.969 -0.872 -4.390 1.00 20.00 C ATOM 716 C PHE A 450 -4.775 -0.962 -3.437 1.00 20.00 C ATOM 717 O PHE A 450 -4.161 -2.015 -3.225 1.00 20.00 O ATOM 718 CB PHE A 450 -7.313 -0.879 -3.640 1.00 20.00 C ATOM 719 CG PHE A 450 -8.549 -0.624 -4.494 1.00 20.00 C ATOM 720 CD1 PHE A 450 -8.536 0.302 -5.560 1.00 20.00 C ATOM 721 CD2 PHE A 450 -9.743 -1.308 -4.202 1.00 20.00 C ATOM 722 CE1 PHE A 450 -9.697 0.522 -6.325 1.00 20.00 C ATOM 723 CE2 PHE A 450 -10.904 -1.085 -4.959 1.00 20.00 C ATOM 724 CZ PHE A 450 -10.882 -0.171 -6.026 1.00 20.00 C ATOM 0 H PHE A 450 -6.615 -2.735 -5.044 1.00 20.00 H new ATOM 0 HA PHE A 450 -5.853 0.072 -4.922 1.00 20.00 H new ATOM 0 HB2 PHE A 450 -7.428 -1.844 -3.147 1.00 20.00 H new ATOM 0 HB3 PHE A 450 -7.274 -0.123 -2.856 1.00 20.00 H new ATOM 0 HD1 PHE A 450 -7.631 0.844 -5.790 1.00 20.00 H new ATOM 0 HD2 PHE A 450 -9.767 -2.014 -3.385 1.00 20.00 H new ATOM 0 HE1 PHE A 450 -9.677 1.226 -7.144 1.00 20.00 H new ATOM 0 HE2 PHE A 450 -11.814 -1.616 -4.721 1.00 20.00 H new ATOM 0 HZ PHE A 450 -11.772 -0.002 -6.614 1.00 20.00 H new ATOM 734 N GLY A 451 -4.471 0.168 -2.815 1.00 20.00 N ATOM 735 CA GLY A 451 -3.635 0.216 -1.630 1.00 20.00 C ATOM 736 C GLY A 451 -4.324 -0.490 -0.457 1.00 20.00 C ATOM 737 O GLY A 451 -5.390 -0.072 0.003 1.00 20.00 O ATOM 0 H GLY A 451 -4.801 1.083 -3.123 1.00 20.00 H new ATOM 0 HA2 GLY A 451 -2.676 -0.259 -1.835 1.00 20.00 H new ATOM 0 HA3 GLY A 451 -3.427 1.253 -1.366 1.00 20.00 H new ATOM 741 N HIS A 452 -3.692 -1.554 0.028 1.00 20.00 N ATOM 742 CA HIS A 452 -4.041 -2.258 1.261 1.00 20.00 C ATOM 743 C HIS A 452 -2.919 -1.995 2.290 1.00 20.00 C ATOM 744 O HIS A 452 -1.749 -2.218 1.961 1.00 20.00 O ATOM 745 CB HIS A 452 -4.236 -3.758 0.980 1.00 20.00 C ATOM 746 CG HIS A 452 -5.247 -4.113 -0.093 1.00 20.00 C ATOM 747 ND1 HIS A 452 -5.056 -4.980 -1.147 1.00 20.00 N ATOM 748 CD2 HIS A 452 -6.574 -3.803 -0.081 1.00 20.00 C ATOM 749 CE1 HIS A 452 -6.242 -5.248 -1.733 1.00 20.00 C ATOM 750 NE2 HIS A 452 -7.199 -4.532 -1.104 1.00 20.00 N ATOM 0 H HIS A 452 -2.889 -1.968 -0.446 1.00 20.00 H new ATOM 0 HA HIS A 452 -4.985 -1.894 1.666 1.00 20.00 H new ATOM 0 HB2 HIS A 452 -3.272 -4.181 0.696 1.00 20.00 H new ATOM 0 HB3 HIS A 452 -4.537 -4.244 1.908 1.00 20.00 H new ATOM 0 HD1 HIS A 452 -4.156 -5.361 -1.440 1.00 20.00 H new ATOM 0 HD2 HIS A 452 -7.059 -3.117 0.597 1.00 20.00 H new ATOM 0 HE1 HIS A 452 -6.399 -5.920 -2.563 1.00 20.00 H new ATOM 758 N PRO A 453 -3.220 -1.475 3.496 1.00 20.00 N ATOM 759 CA PRO A 453 -2.209 -0.959 4.421 1.00 20.00 C ATOM 760 C PRO A 453 -1.320 -2.046 5.053 1.00 20.00 C ATOM 761 O PRO A 453 -1.631 -3.239 5.037 1.00 20.00 O ATOM 762 CB PRO A 453 -2.985 -0.138 5.460 1.00 20.00 C ATOM 763 CG PRO A 453 -4.369 -0.780 5.466 1.00 20.00 C ATOM 764 CD PRO A 453 -4.552 -1.199 4.009 1.00 20.00 C ATOM 0 HA PRO A 453 -1.484 -0.345 3.887 1.00 20.00 H new ATOM 0 HB2 PRO A 453 -2.516 -0.189 6.442 1.00 20.00 H new ATOM 0 HB3 PRO A 453 -3.033 0.915 5.184 1.00 20.00 H new ATOM 0 HG2 PRO A 453 -4.416 -1.634 6.142 1.00 20.00 H new ATOM 0 HG3 PRO A 453 -5.139 -0.078 5.785 1.00 20.00 H new ATOM 0 HD2 PRO A 453 -5.188 -2.081 3.935 1.00 20.00 H new ATOM 0 HD3 PRO A 453 -5.034 -0.408 3.434 1.00 20.00 H new ATOM 772 N ILE A 454 -0.201 -1.597 5.629 1.00 20.00 N ATOM 773 CA ILE A 454 0.849 -2.399 6.273 1.00 20.00 C ATOM 774 C ILE A 454 1.226 -1.714 7.592 1.00 20.00 C ATOM 775 O ILE A 454 1.335 -0.487 7.632 1.00 20.00 O ATOM 776 CB ILE A 454 2.096 -2.517 5.356 1.00 20.00 C ATOM 777 CG1 ILE A 454 1.752 -3.046 3.945 1.00 20.00 C ATOM 778 CG2 ILE A 454 3.177 -3.401 6.011 1.00 20.00 C ATOM 779 CD1 ILE A 454 2.942 -2.984 2.984 1.00 20.00 C ATOM 0 H ILE A 454 0.011 -0.600 5.661 1.00 20.00 H new ATOM 0 HA ILE A 454 0.480 -3.408 6.459 1.00 20.00 H new ATOM 0 HB ILE A 454 2.487 -1.507 5.233 1.00 20.00 H new ATOM 0 HG12 ILE A 454 1.406 -4.077 4.022 1.00 20.00 H new ATOM 0 HG13 ILE A 454 0.928 -2.463 3.534 1.00 20.00 H new ATOM 0 HG21 ILE A 454 4.041 -3.469 5.350 1.00 20.00 H new ATOM 0 HG22 ILE A 454 3.481 -2.961 6.961 1.00 20.00 H new ATOM 0 HG23 ILE A 454 2.774 -4.399 6.186 1.00 20.00 H new ATOM 0 HD11 ILE A 454 2.643 -3.368 2.009 1.00 20.00 H new ATOM 0 HD12 ILE A 454 3.273 -1.951 2.881 1.00 20.00 H new ATOM 0 HD13 ILE A 454 3.759 -3.589 3.377 1.00 20.00 H new ATOM 791 N ASN A 455 1.467 -2.486 8.652 1.00 20.00 N ATOM 792 CA ASN A 455 2.008 -2.015 9.931 1.00 20.00 C ATOM 793 C ASN A 455 3.520 -1.710 9.822 1.00 20.00 C ATOM 794 O ASN A 455 4.375 -2.492 10.241 1.00 20.00 O ATOM 795 CB ASN A 455 1.638 -3.012 11.052 1.00 20.00 C ATOM 796 CG ASN A 455 2.165 -4.436 10.880 1.00 20.00 C ATOM 797 OD1 ASN A 455 2.302 -4.969 9.785 1.00 20.00 O ATOM 798 ND2 ASN A 455 2.428 -5.128 11.967 1.00 20.00 N ATOM 0 H ASN A 455 1.286 -3.490 8.646 1.00 20.00 H new ATOM 0 HA ASN A 455 1.551 -1.063 10.200 1.00 20.00 H new ATOM 0 HB2 ASN A 455 2.010 -2.619 11.998 1.00 20.00 H new ATOM 0 HB3 ASN A 455 0.552 -3.054 11.130 1.00 20.00 H new ATOM 0 HD21 ASN A 455 2.742 -6.096 11.892 1.00 20.00 H new ATOM 0 HD22 ASN A 455 2.318 -4.697 12.885 1.00 20.00 H new ATOM 805 N GLU A 456 3.850 -0.565 9.220 1.00 20.00 N ATOM 806 CA GLU A 456 5.211 -0.106 8.903 1.00 20.00 C ATOM 807 C GLU A 456 5.286 1.424 8.973 1.00 20.00 C ATOM 808 O GLU A 456 4.256 2.091 8.957 1.00 20.00 O ATOM 809 CB GLU A 456 5.609 -0.593 7.495 1.00 20.00 C ATOM 810 CG GLU A 456 6.735 -1.635 7.531 1.00 20.00 C ATOM 811 CD GLU A 456 8.135 -1.005 7.525 1.00 20.00 C ATOM 812 OE1 GLU A 456 8.388 -0.051 8.293 1.00 20.00 O ATOM 813 OE2 GLU A 456 9.002 -1.446 6.730 1.00 20.00 O ATOM 0 H GLU A 456 3.140 0.105 8.924 1.00 20.00 H new ATOM 0 HA GLU A 456 5.905 -0.521 9.634 1.00 20.00 H new ATOM 0 HB2 GLU A 456 4.737 -1.022 7.002 1.00 20.00 H new ATOM 0 HB3 GLU A 456 5.926 0.260 6.895 1.00 20.00 H new ATOM 0 HG2 GLU A 456 6.624 -2.252 8.423 1.00 20.00 H new ATOM 0 HG3 GLU A 456 6.637 -2.298 6.671 1.00 20.00 H new ATOM 820 N ASP A 457 6.489 1.990 9.027 1.00 20.00 N ATOM 821 CA ASP A 457 6.709 3.430 9.252 1.00 20.00 C ATOM 822 C ASP A 457 7.383 4.112 8.049 1.00 20.00 C ATOM 823 O ASP A 457 8.525 3.787 7.712 1.00 20.00 O ATOM 824 CB ASP A 457 7.524 3.604 10.542 1.00 20.00 C ATOM 825 CG ASP A 457 7.780 5.082 10.883 1.00 20.00 C ATOM 826 OD1 ASP A 457 6.803 5.863 10.960 1.00 20.00 O ATOM 827 OD2 ASP A 457 8.954 5.457 11.116 1.00 20.00 O ATOM 0 H ASP A 457 7.354 1.461 8.915 1.00 20.00 H new ATOM 0 HA ASP A 457 5.744 3.925 9.363 1.00 20.00 H new ATOM 0 HB2 ASP A 457 6.995 3.130 11.369 1.00 20.00 H new ATOM 0 HB3 ASP A 457 8.478 3.088 10.437 1.00 20.00 H new ATOM 832 N CYS A 458 6.690 5.046 7.382 1.00 20.00 N ATOM 833 CA CYS A 458 7.195 5.643 6.146 1.00 20.00 C ATOM 834 C CYS A 458 8.520 6.404 6.341 1.00 20.00 C ATOM 835 O CYS A 458 8.756 7.091 7.341 1.00 20.00 O ATOM 836 CB CYS A 458 6.118 6.485 5.455 1.00 20.00 C ATOM 837 SG CYS A 458 6.711 6.925 3.770 1.00 20.00 S ATOM 0 H CYS A 458 5.781 5.401 7.680 1.00 20.00 H new ATOM 0 HA CYS A 458 7.438 4.821 5.473 1.00 20.00 H new ATOM 0 HB2 CYS A 458 5.183 5.928 5.394 1.00 20.00 H new ATOM 0 HB3 CYS A 458 5.914 7.387 6.032 1.00 20.00 H new ATOM 0 HG CYS A 458 5.700 7.277 3.032 1.00 20.00 H new ATOM 842 N ARG A 459 9.379 6.276 5.326 1.00 20.00 N ATOM 843 CA ARG A 459 10.734 6.846 5.243 1.00 20.00 C ATOM 844 C ARG A 459 10.693 8.356 4.977 1.00 20.00 C ATOM 845 O ARG A 459 11.683 9.054 5.198 1.00 20.00 O ATOM 846 CB ARG A 459 11.520 6.111 4.138 1.00 20.00 C ATOM 847 CG ARG A 459 11.954 4.670 4.471 1.00 20.00 C ATOM 848 CD ARG A 459 10.811 3.721 4.849 1.00 20.00 C ATOM 849 NE ARG A 459 11.229 2.306 4.911 1.00 20.00 N ATOM 850 CZ ARG A 459 10.660 1.361 5.645 1.00 20.00 C ATOM 851 NH1 ARG A 459 9.749 1.610 6.532 1.00 20.00 N ATOM 852 NH2 ARG A 459 10.983 0.110 5.517 1.00 20.00 N ATOM 0 H ARG A 459 9.137 5.742 4.491 1.00 20.00 H new ATOM 0 HA ARG A 459 11.236 6.707 6.200 1.00 20.00 H new ATOM 0 HB2 ARG A 459 10.907 6.087 3.237 1.00 20.00 H new ATOM 0 HB3 ARG A 459 12.411 6.694 3.903 1.00 20.00 H new ATOM 0 HG2 ARG A 459 12.480 4.257 3.610 1.00 20.00 H new ATOM 0 HG3 ARG A 459 12.667 4.702 5.295 1.00 20.00 H new ATOM 0 HD2 ARG A 459 10.406 4.017 5.817 1.00 20.00 H new ATOM 0 HD3 ARG A 459 10.006 3.824 4.122 1.00 20.00 H new ATOM 0 HE ARG A 459 12.027 2.032 4.338 1.00 20.00 H new ATOM 0 HH11 ARG A 459 9.440 2.569 6.690 1.00 20.00 H new ATOM 0 HH12 ARG A 459 9.341 0.847 7.072 1.00 20.00 H new ATOM 0 HH21 ARG A 459 11.692 -0.167 4.838 1.00 20.00 H new ATOM 0 HH22 ARG A 459 10.528 -0.596 6.096 1.00 20.00 H new ATOM 866 N PHE A 460 9.537 8.846 4.523 1.00 20.00 N ATOM 867 CA PHE A 460 9.262 10.247 4.198 1.00 20.00 C ATOM 868 C PHE A 460 8.195 10.879 5.110 1.00 20.00 C ATOM 869 O PHE A 460 8.278 12.076 5.394 1.00 20.00 O ATOM 870 CB PHE A 460 8.855 10.325 2.721 1.00 20.00 C ATOM 871 CG PHE A 460 9.994 10.125 1.740 1.00 20.00 C ATOM 872 CD1 PHE A 460 10.486 8.834 1.457 1.00 20.00 C ATOM 873 CD2 PHE A 460 10.560 11.246 1.103 1.00 20.00 C ATOM 874 CE1 PHE A 460 11.550 8.671 0.552 1.00 20.00 C ATOM 875 CE2 PHE A 460 11.622 11.080 0.196 1.00 20.00 C ATOM 876 CZ PHE A 460 12.119 9.793 -0.077 1.00 20.00 C ATOM 0 H PHE A 460 8.727 8.246 4.364 1.00 20.00 H new ATOM 0 HA PHE A 460 10.167 10.829 4.372 1.00 20.00 H new ATOM 0 HB2 PHE A 460 8.091 9.572 2.528 1.00 20.00 H new ATOM 0 HB3 PHE A 460 8.399 11.297 2.534 1.00 20.00 H new ATOM 0 HD1 PHE A 460 10.046 7.971 1.935 1.00 20.00 H new ATOM 0 HD2 PHE A 460 10.178 12.235 1.311 1.00 20.00 H new ATOM 0 HE1 PHE A 460 11.931 7.683 0.340 1.00 20.00 H new ATOM 0 HE2 PHE A 460 12.056 11.941 -0.291 1.00 20.00 H new ATOM 0 HZ PHE A 460 12.938 9.666 -0.770 1.00 20.00 H new ATOM 886 N GLY A 461 7.208 10.111 5.594 1.00 20.00 N ATOM 887 CA GLY A 461 6.217 10.562 6.573 1.00 20.00 C ATOM 888 C GLY A 461 5.370 11.722 6.049 1.00 20.00 C ATOM 889 O GLY A 461 4.573 11.556 5.127 1.00 20.00 O ATOM 0 H GLY A 461 7.077 9.141 5.308 1.00 20.00 H new ATOM 0 HA2 GLY A 461 5.565 9.729 6.837 1.00 20.00 H new ATOM 0 HA3 GLY A 461 6.726 10.870 7.486 1.00 20.00 H new ATOM 893 N VAL A 462 5.569 12.908 6.627 1.00 20.00 N ATOM 894 CA VAL A 462 4.883 14.160 6.234 1.00 20.00 C ATOM 895 C VAL A 462 5.447 14.814 4.963 1.00 20.00 C ATOM 896 O VAL A 462 4.833 15.732 4.418 1.00 20.00 O ATOM 897 CB VAL A 462 4.839 15.185 7.386 1.00 20.00 C ATOM 898 CG1 VAL A 462 4.112 14.623 8.612 1.00 20.00 C ATOM 899 CG2 VAL A 462 6.235 15.655 7.823 1.00 20.00 C ATOM 0 H VAL A 462 6.224 13.037 7.399 1.00 20.00 H new ATOM 0 HA VAL A 462 3.865 13.850 5.999 1.00 20.00 H new ATOM 0 HB VAL A 462 4.293 16.040 6.988 1.00 20.00 H new ATOM 0 HG11 VAL A 462 4.100 15.372 9.403 1.00 20.00 H new ATOM 0 HG12 VAL A 462 3.088 14.365 8.341 1.00 20.00 H new ATOM 0 HG13 VAL A 462 4.630 13.731 8.965 1.00 20.00 H new ATOM 0 HG21 VAL A 462 6.139 16.375 8.636 1.00 20.00 H new ATOM 0 HG22 VAL A 462 6.817 14.799 8.163 1.00 20.00 H new ATOM 0 HG23 VAL A 462 6.741 16.126 6.980 1.00 20.00 H new ATOM 909 N ASN A 463 6.596 14.342 4.473 1.00 20.00 N ATOM 910 CA ASN A 463 7.242 14.818 3.241 1.00 20.00 C ATOM 911 C ASN A 463 6.778 14.037 1.991 1.00 20.00 C ATOM 912 O ASN A 463 6.952 14.504 0.865 1.00 20.00 O ATOM 913 CB ASN A 463 8.772 14.725 3.401 1.00 20.00 C ATOM 914 CG ASN A 463 9.302 15.439 4.635 1.00 20.00 C ATOM 915 OD1 ASN A 463 9.560 16.635 4.629 1.00 20.00 O ATOM 916 ND2 ASN A 463 9.473 14.734 5.732 1.00 20.00 N ATOM 0 H ASN A 463 7.120 13.597 4.933 1.00 20.00 H new ATOM 0 HA ASN A 463 6.947 15.856 3.086 1.00 20.00 H new ATOM 0 HB2 ASN A 463 9.060 13.675 3.448 1.00 20.00 H new ATOM 0 HB3 ASN A 463 9.247 15.147 2.516 1.00 20.00 H new ATOM 0 HD21 ASN A 463 9.821 15.184 6.579 1.00 20.00 H new ATOM 0 HD22 ASN A 463 9.258 13.737 5.736 1.00 20.00 H new ATOM 923 N CYS A 464 6.208 12.845 2.197 1.00 20.00 N ATOM 924 CA CYS A 464 5.808 11.881 1.178 1.00 20.00 C ATOM 925 C CYS A 464 4.701 12.434 0.257 1.00 20.00 C ATOM 926 O CYS A 464 3.624 12.817 0.725 1.00 20.00 O ATOM 927 CB CYS A 464 5.352 10.627 1.938 1.00 20.00 C ATOM 928 SG CYS A 464 5.422 9.118 0.906 1.00 20.00 S ATOM 0 H CYS A 464 6.003 12.511 3.139 1.00 20.00 H new ATOM 0 HA CYS A 464 6.638 11.654 0.509 1.00 20.00 H new ATOM 0 HB2 CYS A 464 5.981 10.491 2.818 1.00 20.00 H new ATOM 0 HB3 CYS A 464 4.332 10.773 2.294 1.00 20.00 H new ATOM 0 HG CYS A 464 4.698 8.186 1.451 1.00 20.00 H new ATOM 933 N LYS A 465 4.973 12.475 -1.056 1.00 20.00 N ATOM 934 CA LYS A 465 4.046 12.964 -2.099 1.00 20.00 C ATOM 935 C LYS A 465 3.363 11.843 -2.899 1.00 20.00 C ATOM 936 O LYS A 465 2.516 12.125 -3.747 1.00 20.00 O ATOM 937 CB LYS A 465 4.776 13.949 -3.037 1.00 20.00 C ATOM 938 CG LYS A 465 5.511 15.113 -2.346 1.00 20.00 C ATOM 939 CD LYS A 465 4.607 15.976 -1.446 1.00 20.00 C ATOM 940 CE LYS A 465 5.386 17.096 -0.740 1.00 20.00 C ATOM 941 NZ LYS A 465 5.864 18.144 -1.682 1.00 20.00 N ATOM 0 H LYS A 465 5.866 12.162 -1.436 1.00 20.00 H new ATOM 0 HA LYS A 465 3.240 13.483 -1.579 1.00 20.00 H new ATOM 0 HB2 LYS A 465 5.499 13.389 -3.630 1.00 20.00 H new ATOM 0 HB3 LYS A 465 4.048 14.366 -3.733 1.00 20.00 H new ATOM 0 HG2 LYS A 465 6.326 14.709 -1.745 1.00 20.00 H new ATOM 0 HG3 LYS A 465 5.961 15.749 -3.108 1.00 20.00 H new ATOM 0 HD2 LYS A 465 3.811 16.414 -2.048 1.00 20.00 H new ATOM 0 HD3 LYS A 465 4.130 15.342 -0.699 1.00 20.00 H new ATOM 0 HE2 LYS A 465 4.749 17.556 0.016 1.00 20.00 H new ATOM 0 HE3 LYS A 465 6.240 16.665 -0.218 1.00 20.00 H new ATOM 0 HZ1 LYS A 465 6.368 18.883 -1.152 1.00 20.00 H new ATOM 0 HZ2 LYS A 465 6.508 17.717 -2.378 1.00 20.00 H new ATOM 0 HZ3 LYS A 465 5.051 18.565 -2.175 1.00 20.00 H new ATOM 955 N ASN A 466 3.726 10.581 -2.656 1.00 20.00 N ATOM 956 CA ASN A 466 3.172 9.419 -3.355 1.00 20.00 C ATOM 957 C ASN A 466 1.759 9.070 -2.832 1.00 20.00 C ATOM 958 O ASN A 466 1.497 9.142 -1.630 1.00 20.00 O ATOM 959 CB ASN A 466 4.172 8.254 -3.234 1.00 20.00 C ATOM 960 CG ASN A 466 3.784 7.076 -4.108 1.00 20.00 C ATOM 961 OD1 ASN A 466 2.829 6.366 -3.838 1.00 20.00 O ATOM 962 ND2 ASN A 466 4.456 6.864 -5.216 1.00 20.00 N ATOM 0 H ASN A 466 4.425 10.334 -1.956 1.00 20.00 H new ATOM 0 HA ASN A 466 3.037 9.643 -4.413 1.00 20.00 H new ATOM 0 HB2 ASN A 466 5.167 8.600 -3.514 1.00 20.00 H new ATOM 0 HB3 ASN A 466 4.228 7.931 -2.194 1.00 20.00 H new ATOM 0 HD21 ASN A 466 4.179 6.110 -5.844 1.00 20.00 H new ATOM 0 HD22 ASN A 466 5.255 7.453 -5.448 1.00 20.00 H new ATOM 969 N ILE A 467 0.847 8.678 -3.729 1.00 20.00 N ATOM 970 CA ILE A 467 -0.575 8.439 -3.407 1.00 20.00 C ATOM 971 C ILE A 467 -0.838 6.998 -2.928 1.00 20.00 C ATOM 972 O ILE A 467 -1.728 6.743 -2.118 1.00 20.00 O ATOM 973 CB ILE A 467 -1.461 8.779 -4.632 1.00 20.00 C ATOM 974 CG1 ILE A 467 -1.087 10.089 -5.368 1.00 20.00 C ATOM 975 CG2 ILE A 467 -2.941 8.833 -4.220 1.00 20.00 C ATOM 976 CD1 ILE A 467 -1.069 11.351 -4.500 1.00 20.00 C ATOM 0 H ILE A 467 1.072 8.515 -4.710 1.00 20.00 H new ATOM 0 HA ILE A 467 -0.836 9.097 -2.578 1.00 20.00 H new ATOM 0 HB ILE A 467 -1.279 7.973 -5.343 1.00 20.00 H new ATOM 0 HG12 ILE A 467 -0.102 9.964 -5.817 1.00 20.00 H new ATOM 0 HG13 ILE A 467 -1.793 10.241 -6.185 1.00 20.00 H new ATOM 0 HG21 ILE A 467 -3.552 9.073 -5.090 1.00 20.00 H new ATOM 0 HG22 ILE A 467 -3.243 7.865 -3.820 1.00 20.00 H new ATOM 0 HG23 ILE A 467 -3.079 9.600 -3.457 1.00 20.00 H new ATOM 0 HD11 ILE A 467 -0.796 12.210 -5.113 1.00 20.00 H new ATOM 0 HD12 ILE A 467 -2.058 11.512 -4.071 1.00 20.00 H new ATOM 0 HD13 ILE A 467 -0.341 11.231 -3.698 1.00 20.00 H new ATOM 988 N TYR A 468 -0.036 6.055 -3.419 1.00 20.00 N ATOM 989 CA TYR A 468 -0.207 4.603 -3.300 1.00 20.00 C ATOM 990 C TYR A 468 0.413 4.016 -2.017 1.00 20.00 C ATOM 991 O TYR A 468 0.305 2.811 -1.782 1.00 20.00 O ATOM 992 CB TYR A 468 0.468 3.926 -4.513 1.00 20.00 C ATOM 993 CG TYR A 468 0.044 4.362 -5.907 1.00 20.00 C ATOM 994 CD1 TYR A 468 0.472 5.598 -6.436 1.00 20.00 C ATOM 995 CD2 TYR A 468 -0.705 3.485 -6.715 1.00 20.00 C ATOM 996 CE1 TYR A 468 0.109 5.981 -7.741 1.00 20.00 C ATOM 997 CE2 TYR A 468 -1.039 3.847 -8.036 1.00 20.00 C ATOM 998 CZ TYR A 468 -0.645 5.103 -8.549 1.00 20.00 C ATOM 999 OH TYR A 468 -0.991 5.478 -9.811 1.00 20.00 O ATOM 0 H TYR A 468 0.804 6.297 -3.944 1.00 20.00 H new ATOM 0 HA TYR A 468 -1.279 4.412 -3.262 1.00 20.00 H new ATOM 0 HB2 TYR A 468 1.543 4.084 -4.427 1.00 20.00 H new ATOM 0 HB3 TYR A 468 0.297 2.853 -4.433 1.00 20.00 H new ATOM 0 HD1 TYR A 468 1.083 6.255 -5.835 1.00 20.00 H new ATOM 0 HD2 TYR A 468 -1.025 2.532 -6.321 1.00 20.00 H new ATOM 0 HE1 TYR A 468 0.407 6.946 -8.124 1.00 20.00 H new ATOM 0 HE2 TYR A 468 -1.597 3.162 -8.657 1.00 20.00 H new ATOM 0 HH TYR A 468 -1.507 4.761 -10.235 1.00 20.00 H new ATOM 1009 N CYS A 469 1.139 4.826 -1.238 1.00 20.00 N ATOM 1010 CA CYS A 469 2.246 4.377 -0.415 1.00 20.00 C ATOM 1011 C CYS A 469 1.776 3.574 0.814 1.00 20.00 C ATOM 1012 O CYS A 469 0.785 3.897 1.479 1.00 20.00 O ATOM 1013 CB CYS A 469 3.078 5.631 -0.145 1.00 20.00 C ATOM 1014 SG CYS A 469 4.533 5.319 0.911 1.00 20.00 S ATOM 0 H CYS A 469 0.963 5.828 -1.167 1.00 20.00 H new ATOM 0 HA CYS A 469 2.880 3.640 -0.907 1.00 20.00 H new ATOM 0 HB2 CYS A 469 3.410 6.049 -1.095 1.00 20.00 H new ATOM 0 HB3 CYS A 469 2.447 6.382 0.331 1.00 20.00 H new ATOM 0 HG CYS A 469 4.450 6.042 1.988 1.00 20.00 H new ATOM 1019 N LEU A 470 2.478 2.466 1.055 1.00 20.00 N ATOM 1020 CA LEU A 470 1.989 1.326 1.836 1.00 20.00 C ATOM 1021 C LEU A 470 2.528 1.285 3.267 1.00 20.00 C ATOM 1022 O LEU A 470 1.962 0.579 4.102 1.00 20.00 O ATOM 1023 CB LEU A 470 2.262 0.029 1.055 1.00 20.00 C ATOM 1024 CG LEU A 470 1.621 -0.021 -0.345 1.00 20.00 C ATOM 1025 CD1 LEU A 470 2.082 -1.275 -1.076 1.00 20.00 C ATOM 1026 CD2 LEU A 470 0.093 -0.056 -0.285 1.00 20.00 C ATOM 0 H LEU A 470 3.426 2.332 0.704 1.00 20.00 H new ATOM 0 HA LEU A 470 0.913 1.441 1.967 1.00 20.00 H new ATOM 0 HB2 LEU A 470 3.340 -0.098 0.952 1.00 20.00 H new ATOM 0 HB3 LEU A 470 1.896 -0.816 1.639 1.00 20.00 H new ATOM 0 HG LEU A 470 1.933 0.884 -0.866 1.00 20.00 H new ATOM 0 HD11 LEU A 470 1.627 -1.307 -2.066 1.00 20.00 H new ATOM 0 HD12 LEU A 470 3.167 -1.260 -1.176 1.00 20.00 H new ATOM 0 HD13 LEU A 470 1.782 -2.157 -0.510 1.00 20.00 H new ATOM 0 HD21 LEU A 470 -0.310 -0.091 -1.297 1.00 20.00 H new ATOM 0 HD22 LEU A 470 -0.229 -0.940 0.265 1.00 20.00 H new ATOM 0 HD23 LEU A 470 -0.272 0.838 0.220 1.00 20.00 H new ATOM 1038 N PHE A 471 3.514 2.115 3.600 1.00 20.00 N ATOM 1039 CA PHE A 471 3.935 2.344 4.984 1.00 20.00 C ATOM 1040 C PHE A 471 3.083 3.468 5.602 1.00 20.00 C ATOM 1041 O PHE A 471 2.637 4.375 4.893 1.00 20.00 O ATOM 1042 CB PHE A 471 5.439 2.660 5.021 1.00 20.00 C ATOM 1043 CG PHE A 471 6.371 1.696 4.293 1.00 20.00 C ATOM 1044 CD1 PHE A 471 6.077 0.320 4.183 1.00 20.00 C ATOM 1045 CD2 PHE A 471 7.558 2.192 3.717 1.00 20.00 C ATOM 1046 CE1 PHE A 471 6.958 -0.545 3.512 1.00 20.00 C ATOM 1047 CE2 PHE A 471 8.434 1.327 3.035 1.00 20.00 C ATOM 1048 CZ PHE A 471 8.136 -0.041 2.935 1.00 20.00 C ATOM 0 H PHE A 471 4.047 2.651 2.915 1.00 20.00 H new ATOM 0 HA PHE A 471 3.777 1.447 5.582 1.00 20.00 H new ATOM 0 HB2 PHE A 471 5.586 3.655 4.600 1.00 20.00 H new ATOM 0 HB3 PHE A 471 5.749 2.706 6.065 1.00 20.00 H new ATOM 0 HD1 PHE A 471 5.169 -0.071 4.617 1.00 20.00 H new ATOM 0 HD2 PHE A 471 7.797 3.242 3.800 1.00 20.00 H new ATOM 0 HE1 PHE A 471 6.730 -1.598 3.440 1.00 20.00 H new ATOM 0 HE2 PHE A 471 9.337 1.716 2.588 1.00 20.00 H new ATOM 0 HZ PHE A 471 8.811 -0.705 2.415 1.00 20.00 H new ATOM 1058 N ARG A 472 2.815 3.405 6.911 1.00 20.00 N ATOM 1059 CA ARG A 472 1.940 4.364 7.610 1.00 20.00 C ATOM 1060 C ARG A 472 2.562 5.766 7.639 1.00 20.00 C ATOM 1061 O ARG A 472 3.781 5.909 7.757 1.00 20.00 O ATOM 1062 CB ARG A 472 1.587 3.865 9.028 1.00 20.00 C ATOM 1063 CG ARG A 472 0.954 2.464 9.140 1.00 20.00 C ATOM 1064 CD ARG A 472 -0.332 2.235 8.332 1.00 20.00 C ATOM 1065 NE ARG A 472 -0.060 1.950 6.906 1.00 20.00 N ATOM 1066 CZ ARG A 472 -0.622 2.530 5.860 1.00 20.00 C ATOM 1067 NH1 ARG A 472 -1.553 3.433 5.973 1.00 20.00 N ATOM 1068 NH2 ARG A 472 -0.258 2.206 4.657 1.00 20.00 N ATOM 0 H ARG A 472 3.199 2.685 7.522 1.00 20.00 H new ATOM 0 HA ARG A 472 1.008 4.436 7.050 1.00 20.00 H new ATOM 0 HB2 ARG A 472 2.498 3.874 9.627 1.00 20.00 H new ATOM 0 HB3 ARG A 472 0.902 4.583 9.479 1.00 20.00 H new ATOM 0 HG2 ARG A 472 1.693 1.728 8.824 1.00 20.00 H new ATOM 0 HG3 ARG A 472 0.738 2.268 10.190 1.00 20.00 H new ATOM 0 HD2 ARG A 472 -0.887 1.404 8.766 1.00 20.00 H new ATOM 0 HD3 ARG A 472 -0.968 3.117 8.408 1.00 20.00 H new ATOM 0 HE ARG A 472 0.635 1.230 6.709 1.00 20.00 H new ATOM 0 HH11 ARG A 472 -1.877 3.719 6.897 1.00 20.00 H new ATOM 0 HH12 ARG A 472 -1.959 3.854 5.137 1.00 20.00 H new ATOM 0 HH21 ARG A 472 0.465 1.501 4.516 1.00 20.00 H new ATOM 0 HH22 ARG A 472 -0.695 2.657 3.853 1.00 20.00 H new ATOM 1082 N HIS A 473 1.714 6.795 7.551 1.00 20.00 N ATOM 1083 CA HIS A 473 2.104 8.212 7.541 1.00 20.00 C ATOM 1084 C HIS A 473 1.548 8.953 8.777 1.00 20.00 C ATOM 1085 O HIS A 473 0.449 8.612 9.234 1.00 20.00 O ATOM 1086 CB HIS A 473 1.621 8.894 6.247 1.00 20.00 C ATOM 1087 CG HIS A 473 2.065 8.239 4.964 1.00 20.00 C ATOM 1088 ND1 HIS A 473 1.320 7.447 4.108 1.00 20.00 N ATOM 1089 CD2 HIS A 473 3.317 8.332 4.435 1.00 20.00 C ATOM 1090 CE1 HIS A 473 2.116 7.046 3.094 1.00 20.00 C ATOM 1091 NE2 HIS A 473 3.342 7.569 3.271 1.00 20.00 N ATOM 0 H HIS A 473 0.705 6.663 7.483 1.00 20.00 H new ATOM 0 HA HIS A 473 3.192 8.260 7.579 1.00 20.00 H new ATOM 0 HB2 HIS A 473 0.532 8.928 6.259 1.00 20.00 H new ATOM 0 HB3 HIS A 473 1.972 9.926 6.248 1.00 20.00 H new ATOM 0 HD1 HIS A 473 0.335 7.207 4.224 1.00 20.00 H new ATOM 0 HD2 HIS A 473 4.142 8.896 4.845 1.00 20.00 H new ATOM 0 HE1 HIS A 473 1.817 6.409 2.275 1.00 20.00 H new ATOM 1099 N PRO A 474 2.242 9.979 9.314 1.00 20.00 N ATOM 1100 CA PRO A 474 1.734 10.791 10.419 1.00 20.00 C ATOM 1101 C PRO A 474 0.472 11.604 10.058 1.00 20.00 C ATOM 1102 O PRO A 474 0.246 11.900 8.877 1.00 20.00 O ATOM 1103 CB PRO A 474 2.885 11.715 10.833 1.00 20.00 C ATOM 1104 CG PRO A 474 4.128 10.990 10.327 1.00 20.00 C ATOM 1105 CD PRO A 474 3.620 10.353 9.039 1.00 20.00 C ATOM 0 HA PRO A 474 1.416 10.141 11.234 1.00 20.00 H new ATOM 0 HB2 PRO A 474 2.787 12.703 10.384 1.00 20.00 H new ATOM 0 HB3 PRO A 474 2.916 11.857 11.913 1.00 20.00 H new ATOM 0 HG2 PRO A 474 4.955 11.676 10.144 1.00 20.00 H new ATOM 0 HG3 PRO A 474 4.484 10.245 11.038 1.00 20.00 H new ATOM 0 HD2 PRO A 474 3.679 11.052 8.205 1.00 20.00 H new ATOM 0 HD3 PRO A 474 4.217 9.482 8.768 1.00 20.00 H new ATOM 1113 N PRO A 475 -0.335 12.020 11.054 1.00 20.00 N ATOM 1114 CA PRO A 475 -1.512 12.869 10.850 1.00 20.00 C ATOM 1115 C PRO A 475 -1.190 14.220 10.187 1.00 20.00 C ATOM 1116 O PRO A 475 -0.125 14.802 10.404 1.00 20.00 O ATOM 1117 CB PRO A 475 -2.127 13.074 12.241 1.00 20.00 C ATOM 1118 CG PRO A 475 -1.635 11.865 13.034 1.00 20.00 C ATOM 1119 CD PRO A 475 -0.243 11.629 12.453 1.00 20.00 C ATOM 0 HA PRO A 475 -2.200 12.383 10.158 1.00 20.00 H new ATOM 0 HB2 PRO A 475 -1.797 14.010 12.691 1.00 20.00 H new ATOM 0 HB3 PRO A 475 -3.216 13.108 12.197 1.00 20.00 H new ATOM 0 HG2 PRO A 475 -1.598 12.070 14.104 1.00 20.00 H new ATOM 0 HG3 PRO A 475 -2.283 11.000 12.897 1.00 20.00 H new ATOM 0 HD2 PRO A 475 0.507 12.221 12.978 1.00 20.00 H new ATOM 0 HD3 PRO A 475 0.051 10.584 12.550 1.00 20.00 H new ATOM 1127 N GLY A 476 -2.140 14.745 9.405 1.00 20.00 N ATOM 1128 CA GLY A 476 -2.063 16.084 8.801 1.00 20.00 C ATOM 1129 C GLY A 476 -1.105 16.229 7.607 1.00 20.00 C ATOM 1130 O GLY A 476 -0.822 17.357 7.194 1.00 20.00 O ATOM 0 H GLY A 476 -2.998 14.246 9.169 1.00 20.00 H new ATOM 0 HA2 GLY A 476 -3.063 16.373 8.477 1.00 20.00 H new ATOM 0 HA3 GLY A 476 -1.761 16.792 9.572 1.00 20.00 H new ATOM 1134 N ARG A 477 -0.605 15.122 7.035 1.00 20.00 N ATOM 1135 CA ARG A 477 0.213 15.111 5.811 1.00 20.00 C ATOM 1136 C ARG A 477 -0.668 15.343 4.588 1.00 20.00 C ATOM 1137 O ARG A 477 -1.777 14.808 4.503 1.00 20.00 O ATOM 1138 CB ARG A 477 1.038 13.811 5.724 1.00 20.00 C ATOM 1139 CG ARG A 477 0.217 12.534 5.471 1.00 20.00 C ATOM 1140 CD ARG A 477 0.101 12.173 3.982 1.00 20.00 C ATOM 1141 NE ARG A 477 -0.835 11.053 3.764 1.00 20.00 N ATOM 1142 CZ ARG A 477 -2.155 11.114 3.701 1.00 20.00 C ATOM 1143 NH1 ARG A 477 -2.823 12.223 3.860 1.00 20.00 N ATOM 1144 NH2 ARG A 477 -2.849 10.038 3.468 1.00 20.00 N ATOM 0 H ARG A 477 -0.761 14.190 7.418 1.00 20.00 H new ATOM 0 HA ARG A 477 0.931 15.931 5.843 1.00 20.00 H new ATOM 0 HB2 ARG A 477 1.772 13.917 4.925 1.00 20.00 H new ATOM 0 HB3 ARG A 477 1.594 13.689 6.653 1.00 20.00 H new ATOM 0 HG2 ARG A 477 0.677 11.702 6.005 1.00 20.00 H new ATOM 0 HG3 ARG A 477 -0.783 12.665 5.885 1.00 20.00 H new ATOM 0 HD2 ARG A 477 -0.237 13.044 3.421 1.00 20.00 H new ATOM 0 HD3 ARG A 477 1.084 11.906 3.594 1.00 20.00 H new ATOM 0 HE ARG A 477 -0.418 10.129 3.649 1.00 20.00 H new ATOM 0 HH11 ARG A 477 -2.327 13.095 4.042 1.00 20.00 H new ATOM 0 HH12 ARG A 477 -3.841 12.218 3.802 1.00 20.00 H new ATOM 0 HH21 ARG A 477 -2.375 9.145 3.333 1.00 20.00 H new ATOM 0 HH22 ARG A 477 -3.867 10.088 3.420 1.00 20.00 H new ATOM 1158 N VAL A 478 -0.160 16.098 3.622 1.00 20.00 N ATOM 1159 CA VAL A 478 -0.925 16.562 2.454 1.00 20.00 C ATOM 1160 C VAL A 478 -0.532 15.793 1.192 1.00 20.00 C ATOM 1161 O VAL A 478 0.648 15.605 0.896 1.00 20.00 O ATOM 1162 CB VAL A 478 -0.788 18.087 2.255 1.00 20.00 C ATOM 1163 CG1 VAL A 478 -1.667 18.603 1.107 1.00 20.00 C ATOM 1164 CG2 VAL A 478 -1.192 18.859 3.520 1.00 20.00 C ATOM 0 H VAL A 478 0.810 16.414 3.621 1.00 20.00 H new ATOM 0 HA VAL A 478 -1.977 16.356 2.649 1.00 20.00 H new ATOM 0 HB VAL A 478 0.263 18.256 2.022 1.00 20.00 H new ATOM 0 HG11 VAL A 478 -1.537 19.680 1.005 1.00 20.00 H new ATOM 0 HG12 VAL A 478 -1.376 18.113 0.178 1.00 20.00 H new ATOM 0 HG13 VAL A 478 -2.713 18.382 1.322 1.00 20.00 H new ATOM 0 HG21 VAL A 478 -1.083 19.929 3.344 1.00 20.00 H new ATOM 0 HG22 VAL A 478 -2.230 18.636 3.767 1.00 20.00 H new ATOM 0 HG23 VAL A 478 -0.550 18.561 4.349 1.00 20.00 H new ATOM 1174 N LEU A 479 -1.552 15.384 0.440 1.00 20.00 N ATOM 1175 CA LEU A 479 -1.477 14.731 -0.872 1.00 20.00 C ATOM 1176 C LEU A 479 -2.467 15.391 -1.858 1.00 20.00 C ATOM 1177 O LEU A 479 -3.564 15.778 -1.437 1.00 20.00 O ATOM 1178 CB LEU A 479 -1.807 13.233 -0.722 1.00 20.00 C ATOM 1179 CG LEU A 479 -0.771 12.388 0.043 1.00 20.00 C ATOM 1180 CD1 LEU A 479 -1.275 10.948 0.146 1.00 20.00 C ATOM 1181 CD2 LEU A 479 0.591 12.362 -0.649 1.00 20.00 C ATOM 0 H LEU A 479 -2.517 15.506 0.748 1.00 20.00 H new ATOM 0 HA LEU A 479 -0.467 14.842 -1.266 1.00 20.00 H new ATOM 0 HB2 LEU A 479 -2.767 13.142 -0.215 1.00 20.00 H new ATOM 0 HB3 LEU A 479 -1.931 12.807 -1.718 1.00 20.00 H new ATOM 0 HG LEU A 479 -0.648 12.845 1.025 1.00 20.00 H new ATOM 0 HD11 LEU A 479 -0.546 10.345 0.687 1.00 20.00 H new ATOM 0 HD12 LEU A 479 -2.225 10.932 0.679 1.00 20.00 H new ATOM 0 HD13 LEU A 479 -1.414 10.539 -0.855 1.00 20.00 H new ATOM 0 HD21 LEU A 479 1.283 11.753 -0.068 1.00 20.00 H new ATOM 0 HD22 LEU A 479 0.484 11.937 -1.647 1.00 20.00 H new ATOM 0 HD23 LEU A 479 0.979 13.378 -0.727 1.00 20.00 H new ATOM 1193 N PRO A 480 -2.129 15.511 -3.158 1.00 20.00 N ATOM 1194 CA PRO A 480 -3.047 16.017 -4.179 1.00 20.00 C ATOM 1195 C PRO A 480 -4.144 14.994 -4.526 1.00 20.00 C ATOM 1196 O PRO A 480 -3.989 13.787 -4.319 1.00 20.00 O ATOM 1197 CB PRO A 480 -2.160 16.340 -5.385 1.00 20.00 C ATOM 1198 CG PRO A 480 -1.044 15.301 -5.275 1.00 20.00 C ATOM 1199 CD PRO A 480 -0.850 15.157 -3.764 1.00 20.00 C ATOM 0 HA PRO A 480 -3.590 16.896 -3.832 1.00 20.00 H new ATOM 0 HB2 PRO A 480 -2.706 16.249 -6.324 1.00 20.00 H new ATOM 0 HB3 PRO A 480 -1.771 17.357 -5.340 1.00 20.00 H new ATOM 0 HG2 PRO A 480 -1.327 14.355 -5.737 1.00 20.00 H new ATOM 0 HG3 PRO A 480 -0.132 15.636 -5.768 1.00 20.00 H new ATOM 0 HD2 PRO A 480 -0.563 14.138 -3.503 1.00 20.00 H new ATOM 0 HD3 PRO A 480 -0.055 15.813 -3.409 1.00 20.00 H new