USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=22 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 160:sc= 0.154 USER MOD Set 1.2: A 464 CYS SG : rot -170:sc= 0.0952 USER MOD Set 1.3: A 469 CYS SG : rot -134:sc= 0.189 USER MOD Set 1.4: A 473 HIS : no HE2:sc= -0.0898 X(o=0.35,f=0.54) USER MOD Set 2.1: A 437 CYS SG : rot -155:sc= 0.27 USER MOD Set 2.2: A 443 CYS SG : rot -163:sc= 0.396 USER MOD Set 2.3: A 448 CYS SG : rot -144:sc= 0.202 USER MOD Set 2.4: A 452 HIS : no HE2:sc= -4.99! K(o=-4.1!,f=-1.5) USER MOD Set 3.1: A 433 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 434 HIS : no HD1:sc= 0.103 K(o=0.1,f=-1.3) USER MOD Set 4.1: A 415 CYS SG : rot -157:sc= 0.383 USER MOD Set 4.2: A 421 CYS SG : rot -165:sc= 0.429 USER MOD Set 4.3: A 423 ASN : amide:sc= 1.33 K(o=-0.41,f=-2.3!) USER MOD Set 4.4: A 426 CYS SG : rot -140:sc= 0.52 USER MOD Set 4.5: A 430 HIS : no HE2:sc= -3.06 K(o=-0.41,f=1.2) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= 0.164 USER MOD Single : A 414 GLN : amide:sc= 0.901 K(o=0.9,f=-3.9!) USER MOD Single : A 416 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.17) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.00106 USER MOD Single : A 420 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.047) 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= -0.137 USER MOD Single : A 436 MET CE :methyl -170:sc= 0 (180deg=-0.0148) USER MOD Single : A 442 ASN : amide:sc= 0.701 K(o=0.7,f=0) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 ASN : amide:sc=-0.00023 K(o=-0.00023,f=-0.93) USER MOD Single : A 463 ASN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 465 LYS NZ :NH3+ -177:sc= 1.85 (180deg=1.84) USER MOD Single : A 466 ASN : amide:sc= 0.114 K(o=0.11,f=-5.8!) USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 409 0.347 -15.369 -5.049 1.00 20.00 N ATOM 62 CA GLU A 409 -0.062 -14.356 -4.063 1.00 20.00 C ATOM 63 C GLU A 409 -1.427 -14.628 -3.416 1.00 20.00 C ATOM 64 O GLU A 409 -2.240 -13.725 -3.238 1.00 20.00 O ATOM 65 CB GLU A 409 0.082 -12.922 -4.601 1.00 20.00 C ATOM 66 CG GLU A 409 -0.800 -12.502 -5.789 1.00 20.00 C ATOM 67 CD GLU A 409 -0.401 -13.183 -7.109 1.00 20.00 C ATOM 68 OE1 GLU A 409 -0.911 -14.294 -7.383 1.00 20.00 O ATOM 69 OE2 GLU A 409 0.405 -12.608 -7.880 1.00 20.00 O ATOM 0 HA GLU A 409 0.649 -14.447 -3.242 1.00 20.00 H new ATOM 0 HB2 GLU A 409 -0.118 -12.236 -3.778 1.00 20.00 H new ATOM 0 HB3 GLU A 409 1.123 -12.778 -4.891 1.00 20.00 H new ATOM 0 HG2 GLU A 409 -1.839 -12.741 -5.564 1.00 20.00 H new ATOM 0 HG3 GLU A 409 -0.741 -11.421 -5.913 1.00 20.00 H new ATOM 76 N LYS A 410 -1.670 -15.877 -3.006 1.00 20.00 N ATOM 77 CA LYS A 410 -2.919 -16.324 -2.355 1.00 20.00 C ATOM 78 C LYS A 410 -3.022 -15.891 -0.887 1.00 20.00 C ATOM 79 O LYS A 410 -3.951 -16.277 -0.177 1.00 20.00 O ATOM 80 CB LYS A 410 -3.078 -17.845 -2.505 1.00 20.00 C ATOM 81 CG LYS A 410 -3.179 -18.298 -3.971 1.00 20.00 C ATOM 82 CD LYS A 410 -3.503 -19.798 -4.051 1.00 20.00 C ATOM 83 CE LYS A 410 -3.675 -20.288 -5.496 1.00 20.00 C ATOM 84 NZ LYS A 410 -2.386 -20.346 -6.234 1.00 20.00 N ATOM 0 H LYS A 410 -0.990 -16.629 -3.118 1.00 20.00 H new ATOM 0 HA LYS A 410 -3.744 -15.829 -2.867 1.00 20.00 H new ATOM 0 HB2 LYS A 410 -2.229 -18.341 -2.035 1.00 20.00 H new ATOM 0 HB3 LYS A 410 -3.971 -18.166 -1.969 1.00 20.00 H new ATOM 0 HG2 LYS A 410 -3.953 -17.725 -4.482 1.00 20.00 H new ATOM 0 HG3 LYS A 410 -2.240 -18.095 -4.486 1.00 20.00 H new ATOM 0 HD2 LYS A 410 -2.705 -20.365 -3.572 1.00 20.00 H new ATOM 0 HD3 LYS A 410 -4.417 -19.999 -3.492 1.00 20.00 H new ATOM 0 HE2 LYS A 410 -4.131 -21.278 -5.489 1.00 20.00 H new ATOM 0 HE3 LYS A 410 -4.362 -19.625 -6.022 1.00 20.00 H new ATOM 0 HZ1 LYS A 410 -2.556 -20.682 -7.203 1.00 20.00 H new ATOM 0 HZ2 LYS A 410 -1.961 -19.397 -6.266 1.00 20.00 H new ATOM 0 HZ3 LYS A 410 -1.738 -20.999 -5.750 1.00 20.00 H new ATOM 98 N SER A 411 -2.060 -15.091 -0.437 1.00 20.00 N ATOM 99 CA SER A 411 -2.016 -14.490 0.885 1.00 20.00 C ATOM 100 C SER A 411 -2.846 -13.203 0.955 1.00 20.00 C ATOM 101 O SER A 411 -2.828 -12.392 0.029 1.00 20.00 O ATOM 102 CB SER A 411 -0.570 -14.198 1.276 1.00 20.00 C ATOM 103 OG SER A 411 -0.533 -13.775 2.628 1.00 20.00 O ATOM 0 H SER A 411 -1.257 -14.835 -1.011 1.00 20.00 H new ATOM 0 HA SER A 411 -2.450 -15.202 1.587 1.00 20.00 H new ATOM 0 HB2 SER A 411 0.043 -15.090 1.144 1.00 20.00 H new ATOM 0 HB3 SER A 411 -0.154 -13.426 0.629 1.00 20.00 H new ATOM 0 HG SER A 411 0.393 -13.587 2.887 1.00 20.00 H new ATOM 109 N LEU A 412 -3.513 -12.970 2.089 1.00 20.00 N ATOM 110 CA LEU A 412 -4.167 -11.688 2.403 1.00 20.00 C ATOM 111 C LEU A 412 -3.189 -10.608 2.910 1.00 20.00 C ATOM 112 O LEU A 412 -3.594 -9.477 3.187 1.00 20.00 O ATOM 113 CB LEU A 412 -5.365 -11.910 3.347 1.00 20.00 C ATOM 114 CG LEU A 412 -6.516 -12.731 2.734 1.00 20.00 C ATOM 115 CD1 LEU A 412 -7.653 -12.860 3.748 1.00 20.00 C ATOM 116 CD2 LEU A 412 -7.092 -12.088 1.470 1.00 20.00 C ATOM 0 H LEU A 412 -3.617 -13.669 2.824 1.00 20.00 H new ATOM 0 HA LEU A 412 -4.553 -11.284 1.467 1.00 20.00 H new ATOM 0 HB2 LEU A 412 -5.014 -12.415 4.247 1.00 20.00 H new ATOM 0 HB3 LEU A 412 -5.752 -10.939 3.657 1.00 20.00 H new ATOM 0 HG LEU A 412 -6.099 -13.703 2.471 1.00 20.00 H new ATOM 0 HD11 LEU A 412 -8.465 -13.441 3.312 1.00 20.00 H new ATOM 0 HD12 LEU A 412 -7.287 -13.363 4.643 1.00 20.00 H new ATOM 0 HD13 LEU A 412 -8.018 -11.868 4.013 1.00 20.00 H new ATOM 0 HD21 LEU A 412 -7.899 -12.709 1.081 1.00 20.00 H new ATOM 0 HD22 LEU A 412 -7.479 -11.098 1.710 1.00 20.00 H new ATOM 0 HD23 LEU A 412 -6.308 -11.999 0.718 1.00 20.00 H new ATOM 128 N GLU A 413 -1.892 -10.916 2.958 1.00 20.00 N ATOM 129 CA GLU A 413 -0.808 -9.942 3.113 1.00 20.00 C ATOM 130 C GLU A 413 -0.552 -9.139 1.817 1.00 20.00 C ATOM 131 O GLU A 413 -1.008 -9.481 0.717 1.00 20.00 O ATOM 132 CB GLU A 413 0.443 -10.702 3.583 1.00 20.00 C ATOM 133 CG GLU A 413 1.670 -9.889 4.025 1.00 20.00 C ATOM 134 CD GLU A 413 1.332 -8.903 5.155 1.00 20.00 C ATOM 135 OE1 GLU A 413 0.807 -7.809 4.846 1.00 20.00 O ATOM 136 OE2 GLU A 413 1.575 -9.221 6.345 1.00 20.00 O ATOM 0 H GLU A 413 -1.556 -11.877 2.888 1.00 20.00 H new ATOM 0 HA GLU A 413 -1.087 -9.196 3.857 1.00 20.00 H new ATOM 0 HB2 GLU A 413 0.150 -11.340 4.417 1.00 20.00 H new ATOM 0 HB3 GLU A 413 0.756 -11.360 2.772 1.00 20.00 H new ATOM 0 HG2 GLU A 413 2.454 -10.569 4.360 1.00 20.00 H new ATOM 0 HG3 GLU A 413 2.067 -9.340 3.172 1.00 20.00 H new ATOM 143 N GLN A 414 0.196 -8.049 1.952 1.00 20.00 N ATOM 144 CA GLN A 414 0.537 -7.115 0.877 1.00 20.00 C ATOM 145 C GLN A 414 2.021 -6.717 0.953 1.00 20.00 C ATOM 146 O GLN A 414 2.560 -6.473 2.034 1.00 20.00 O ATOM 147 CB GLN A 414 -0.409 -5.892 0.910 1.00 20.00 C ATOM 148 CG GLN A 414 -0.946 -5.496 -0.480 1.00 20.00 C ATOM 149 CD GLN A 414 -0.567 -4.098 -0.966 1.00 20.00 C ATOM 150 OE1 GLN A 414 -1.409 -3.281 -1.297 1.00 20.00 O ATOM 151 NE2 GLN A 414 0.692 -3.755 -1.100 1.00 20.00 N ATOM 0 H GLN A 414 0.599 -7.778 2.849 1.00 20.00 H new ATOM 0 HA GLN A 414 0.393 -7.607 -0.085 1.00 20.00 H new ATOM 0 HB2 GLN A 414 -1.250 -6.110 1.568 1.00 20.00 H new ATOM 0 HB3 GLN A 414 0.121 -5.043 1.342 1.00 20.00 H new ATOM 0 HG2 GLN A 414 -0.586 -6.223 -1.208 1.00 20.00 H new ATOM 0 HG3 GLN A 414 -2.033 -5.572 -0.464 1.00 20.00 H new ATOM 0 HE21 GLN A 414 1.429 -4.408 -0.835 1.00 20.00 H new ATOM 0 HE22 GLN A 414 0.934 -2.835 -1.469 1.00 20.00 H new ATOM 160 N CYS A 415 2.678 -6.658 -0.206 1.00 20.00 N ATOM 161 CA CYS A 415 4.066 -6.224 -0.361 1.00 20.00 C ATOM 162 C CYS A 415 4.251 -4.742 0.010 1.00 20.00 C ATOM 163 O CYS A 415 3.314 -3.961 -0.150 1.00 20.00 O ATOM 164 CB CYS A 415 4.446 -6.484 -1.810 1.00 20.00 C ATOM 165 SG CYS A 415 6.188 -7.027 -1.913 1.00 20.00 S ATOM 0 H CYS A 415 2.244 -6.920 -1.091 1.00 20.00 H new ATOM 0 HA CYS A 415 4.714 -6.779 0.318 1.00 20.00 H new ATOM 0 HB2 CYS A 415 3.793 -7.247 -2.234 1.00 20.00 H new ATOM 0 HB3 CYS A 415 4.303 -5.579 -2.400 1.00 20.00 H new ATOM 0 HG CYS A 415 6.645 -6.795 -3.108 1.00 20.00 H new ATOM 170 N LYS A 416 5.446 -4.324 0.446 1.00 20.00 N ATOM 171 CA LYS A 416 5.690 -2.923 0.856 1.00 20.00 C ATOM 172 C LYS A 416 6.043 -1.972 -0.294 1.00 20.00 C ATOM 173 O LYS A 416 5.784 -0.774 -0.184 1.00 20.00 O ATOM 174 CB LYS A 416 6.699 -2.855 2.015 1.00 20.00 C ATOM 175 CG LYS A 416 8.158 -3.090 1.589 1.00 20.00 C ATOM 176 CD LYS A 416 9.138 -2.976 2.762 1.00 20.00 C ATOM 177 CE LYS A 416 9.018 -4.170 3.713 1.00 20.00 C ATOM 178 NZ LYS A 416 9.873 -3.987 4.911 1.00 20.00 N ATOM 0 H LYS A 416 6.262 -4.930 0.526 1.00 20.00 H new ATOM 0 HA LYS A 416 4.733 -2.548 1.219 1.00 20.00 H new ATOM 0 HB2 LYS A 416 6.623 -1.878 2.492 1.00 20.00 H new ATOM 0 HB3 LYS A 416 6.426 -3.598 2.765 1.00 20.00 H new ATOM 0 HG2 LYS A 416 8.247 -4.079 1.140 1.00 20.00 H new ATOM 0 HG3 LYS A 416 8.430 -2.366 0.821 1.00 20.00 H new ATOM 0 HD2 LYS A 416 10.157 -2.914 2.381 1.00 20.00 H new ATOM 0 HD3 LYS A 416 8.946 -2.053 3.309 1.00 20.00 H new ATOM 0 HE2 LYS A 416 7.979 -4.292 4.019 1.00 20.00 H new ATOM 0 HE3 LYS A 416 9.306 -5.083 3.193 1.00 20.00 H new ATOM 0 HZ1 LYS A 416 9.799 -4.825 5.522 1.00 20.00 H new ATOM 0 HZ2 LYS A 416 10.862 -3.860 4.616 1.00 20.00 H new ATOM 0 HZ3 LYS A 416 9.559 -3.147 5.437 1.00 20.00 H new ATOM 192 N PHE A 417 6.613 -2.473 -1.397 1.00 20.00 N ATOM 193 CA PHE A 417 7.153 -1.630 -2.473 1.00 20.00 C ATOM 194 C PHE A 417 6.133 -1.260 -3.566 1.00 20.00 C ATOM 195 O PHE A 417 6.432 -0.412 -4.404 1.00 20.00 O ATOM 196 CB PHE A 417 8.410 -2.304 -3.044 1.00 20.00 C ATOM 197 CG PHE A 417 9.556 -2.415 -2.053 1.00 20.00 C ATOM 198 CD1 PHE A 417 10.337 -1.278 -1.760 1.00 20.00 C ATOM 199 CD2 PHE A 417 9.843 -3.638 -1.415 1.00 20.00 C ATOM 200 CE1 PHE A 417 11.400 -1.367 -0.843 1.00 20.00 C ATOM 201 CE2 PHE A 417 10.911 -3.726 -0.503 1.00 20.00 C ATOM 202 CZ PHE A 417 11.689 -2.592 -0.217 1.00 20.00 C ATOM 0 H PHE A 417 6.713 -3.473 -1.569 1.00 20.00 H new ATOM 0 HA PHE A 417 7.417 -0.666 -2.037 1.00 20.00 H new ATOM 0 HB2 PHE A 417 8.147 -3.303 -3.393 1.00 20.00 H new ATOM 0 HB3 PHE A 417 8.749 -1.741 -3.914 1.00 20.00 H new ATOM 0 HD1 PHE A 417 10.118 -0.336 -2.241 1.00 20.00 H new ATOM 0 HD2 PHE A 417 9.242 -4.510 -1.626 1.00 20.00 H new ATOM 0 HE1 PHE A 417 11.995 -0.493 -0.620 1.00 20.00 H new ATOM 0 HE2 PHE A 417 11.133 -4.667 -0.022 1.00 20.00 H new ATOM 0 HZ PHE A 417 12.508 -2.661 0.483 1.00 20.00 H new ATOM 212 N GLY A 418 4.927 -1.845 -3.562 1.00 20.00 N ATOM 213 CA GLY A 418 3.826 -1.468 -4.465 1.00 20.00 C ATOM 214 C GLY A 418 4.201 -1.488 -5.950 1.00 20.00 C ATOM 215 O GLY A 418 4.546 -2.537 -6.497 1.00 20.00 O ATOM 0 H GLY A 418 4.684 -2.603 -2.924 1.00 20.00 H new ATOM 0 HA2 GLY A 418 2.989 -2.147 -4.303 1.00 20.00 H new ATOM 0 HA3 GLY A 418 3.481 -0.468 -4.202 1.00 20.00 H new ATOM 219 N THR A 419 4.155 -0.322 -6.598 1.00 20.00 N ATOM 220 CA THR A 419 4.552 -0.107 -8.005 1.00 20.00 C ATOM 221 C THR A 419 6.045 -0.347 -8.259 1.00 20.00 C ATOM 222 O THR A 419 6.432 -0.695 -9.375 1.00 20.00 O ATOM 223 CB THR A 419 4.208 1.325 -8.451 1.00 20.00 C ATOM 224 OG1 THR A 419 4.734 2.261 -7.531 1.00 20.00 O ATOM 225 CG2 THR A 419 2.699 1.560 -8.535 1.00 20.00 C ATOM 0 H THR A 419 3.830 0.534 -6.148 1.00 20.00 H new ATOM 0 HA THR A 419 3.991 -0.840 -8.584 1.00 20.00 H new ATOM 0 HB THR A 419 4.645 1.454 -9.441 1.00 20.00 H new ATOM 0 HG1 THR A 419 4.511 3.169 -7.825 1.00 20.00 H new ATOM 0 HG21 THR A 419 2.508 2.585 -8.854 1.00 20.00 H new ATOM 0 HG22 THR A 419 2.263 0.868 -9.256 1.00 20.00 H new ATOM 0 HG23 THR A 419 2.250 1.395 -7.556 1.00 20.00 H new ATOM 233 N HIS A 420 6.883 -0.209 -7.226 1.00 20.00 N ATOM 234 CA HIS A 420 8.341 -0.372 -7.269 1.00 20.00 C ATOM 235 C HIS A 420 8.810 -1.801 -6.931 1.00 20.00 C ATOM 236 O HIS A 420 10.011 -2.073 -7.006 1.00 20.00 O ATOM 237 CB HIS A 420 8.969 0.688 -6.345 1.00 20.00 C ATOM 238 CG HIS A 420 10.457 0.878 -6.526 1.00 20.00 C ATOM 239 ND1 HIS A 420 11.065 1.569 -7.579 1.00 20.00 N ATOM 240 CD2 HIS A 420 11.427 0.418 -5.682 1.00 20.00 C ATOM 241 CE1 HIS A 420 12.388 1.503 -7.348 1.00 20.00 C ATOM 242 NE2 HIS A 420 12.633 0.818 -6.216 1.00 20.00 N ATOM 0 H HIS A 420 6.548 0.031 -6.293 1.00 20.00 H new ATOM 0 HA HIS A 420 8.681 -0.218 -8.293 1.00 20.00 H new ATOM 0 HB2 HIS A 420 8.471 1.642 -6.517 1.00 20.00 H new ATOM 0 HB3 HIS A 420 8.775 0.409 -5.309 1.00 20.00 H new ATOM 0 HD2 HIS A 420 11.278 -0.148 -4.774 1.00 20.00 H new ATOM 0 HE1 HIS A 420 13.147 1.938 -7.981 1.00 20.00 H new ATOM 0 HE2 HIS A 420 13.554 0.627 -5.821 1.00 20.00 H new ATOM 250 N CYS A 421 7.902 -2.730 -6.589 1.00 20.00 N ATOM 251 CA CYS A 421 8.282 -4.130 -6.386 1.00 20.00 C ATOM 252 C CYS A 421 8.756 -4.761 -7.716 1.00 20.00 C ATOM 253 O CYS A 421 8.058 -4.682 -8.736 1.00 20.00 O ATOM 254 CB CYS A 421 7.172 -4.954 -5.739 1.00 20.00 C ATOM 255 SG CYS A 421 7.961 -6.538 -5.243 1.00 20.00 S ATOM 0 H CYS A 421 6.910 -2.536 -6.449 1.00 20.00 H new ATOM 0 HA CYS A 421 9.115 -4.140 -5.683 1.00 20.00 H new ATOM 0 HB2 CYS A 421 6.752 -4.438 -4.876 1.00 20.00 H new ATOM 0 HB3 CYS A 421 6.353 -5.125 -6.437 1.00 20.00 H new ATOM 0 HG CYS A 421 7.041 -7.414 -4.970 1.00 20.00 H new ATOM 260 N THR A 422 9.935 -5.385 -7.709 1.00 20.00 N ATOM 261 CA THR A 422 10.613 -5.929 -8.901 1.00 20.00 C ATOM 262 C THR A 422 10.454 -7.445 -9.084 1.00 20.00 C ATOM 263 O THR A 422 10.906 -7.986 -10.097 1.00 20.00 O ATOM 264 CB THR A 422 12.109 -5.566 -8.887 1.00 20.00 C ATOM 265 OG1 THR A 422 12.715 -6.029 -7.694 1.00 20.00 O ATOM 266 CG2 THR A 422 12.337 -4.055 -8.972 1.00 20.00 C ATOM 0 H THR A 422 10.466 -5.534 -6.851 1.00 20.00 H new ATOM 0 HA THR A 422 10.115 -5.463 -9.751 1.00 20.00 H new ATOM 0 HB THR A 422 12.553 -6.043 -9.761 1.00 20.00 H new ATOM 0 HG1 THR A 422 13.666 -5.794 -7.698 1.00 20.00 H new ATOM 0 HG21 THR A 422 13.407 -3.847 -8.959 1.00 20.00 H new ATOM 0 HG22 THR A 422 11.905 -3.673 -9.897 1.00 20.00 H new ATOM 0 HG23 THR A 422 11.862 -3.567 -8.121 1.00 20.00 H new ATOM 274 N ASN A 423 9.824 -8.154 -8.140 1.00 20.00 N ATOM 275 CA ASN A 423 9.737 -9.617 -8.141 1.00 20.00 C ATOM 276 C ASN A 423 8.503 -10.134 -8.910 1.00 20.00 C ATOM 277 O ASN A 423 7.392 -9.621 -8.742 1.00 20.00 O ATOM 278 CB ASN A 423 9.747 -10.084 -6.676 1.00 20.00 C ATOM 279 CG ASN A 423 9.758 -11.594 -6.500 1.00 20.00 C ATOM 280 OD1 ASN A 423 10.164 -12.354 -7.369 1.00 20.00 O ATOM 281 ND2 ASN A 423 9.302 -12.078 -5.372 1.00 20.00 N ATOM 0 H ASN A 423 9.355 -7.721 -7.344 1.00 20.00 H new ATOM 0 HA ASN A 423 10.592 -10.036 -8.671 1.00 20.00 H new ATOM 0 HB2 ASN A 423 10.623 -9.666 -6.180 1.00 20.00 H new ATOM 0 HB3 ASN A 423 8.870 -9.678 -6.172 1.00 20.00 H new ATOM 0 HD21 ASN A 423 9.286 -13.086 -5.219 1.00 20.00 H new ATOM 0 HD22 ASN A 423 8.963 -11.447 -4.646 1.00 20.00 H new ATOM 288 N LYS A 424 8.684 -11.195 -9.709 1.00 20.00 N ATOM 289 CA LYS A 424 7.609 -11.896 -10.443 1.00 20.00 C ATOM 290 C LYS A 424 6.936 -13.011 -9.623 1.00 20.00 C ATOM 291 O LYS A 424 5.801 -13.395 -9.905 1.00 20.00 O ATOM 292 CB LYS A 424 8.197 -12.394 -11.779 1.00 20.00 C ATOM 293 CG LYS A 424 7.132 -12.895 -12.774 1.00 20.00 C ATOM 294 CD LYS A 424 7.721 -13.294 -14.137 1.00 20.00 C ATOM 295 CE LYS A 424 8.282 -12.090 -14.909 1.00 20.00 C ATOM 296 NZ LYS A 424 8.796 -12.488 -16.246 1.00 20.00 N ATOM 0 H LYS A 424 9.605 -11.604 -9.870 1.00 20.00 H new ATOM 0 HA LYS A 424 6.794 -11.200 -10.641 1.00 20.00 H new ATOM 0 HB2 LYS A 424 8.762 -11.585 -12.242 1.00 20.00 H new ATOM 0 HB3 LYS A 424 8.902 -13.201 -11.578 1.00 20.00 H new ATOM 0 HG2 LYS A 424 6.615 -13.753 -12.343 1.00 20.00 H new ATOM 0 HG3 LYS A 424 6.386 -12.115 -12.922 1.00 20.00 H new ATOM 0 HD2 LYS A 424 8.514 -14.027 -13.986 1.00 20.00 H new ATOM 0 HD3 LYS A 424 6.949 -13.778 -14.735 1.00 20.00 H new ATOM 0 HE2 LYS A 424 7.502 -11.338 -15.028 1.00 20.00 H new ATOM 0 HE3 LYS A 424 9.084 -11.629 -14.333 1.00 20.00 H new ATOM 0 HZ1 LYS A 424 9.167 -11.651 -16.739 1.00 20.00 H new ATOM 0 HZ2 LYS A 424 9.557 -13.187 -16.131 1.00 20.00 H new ATOM 0 HZ3 LYS A 424 8.024 -12.905 -16.805 1.00 20.00 H new ATOM 310 N ARG A 425 7.625 -13.507 -8.591 1.00 20.00 N ATOM 311 CA ARG A 425 7.263 -14.673 -7.754 1.00 20.00 C ATOM 312 C ARG A 425 6.917 -14.290 -6.302 1.00 20.00 C ATOM 313 O ARG A 425 7.197 -15.046 -5.369 1.00 20.00 O ATOM 314 CB ARG A 425 8.380 -15.737 -7.849 1.00 20.00 C ATOM 315 CG ARG A 425 8.602 -16.260 -9.281 1.00 20.00 C ATOM 316 CD ARG A 425 9.757 -17.270 -9.358 1.00 20.00 C ATOM 317 NE ARG A 425 9.490 -18.505 -8.588 1.00 20.00 N ATOM 318 CZ ARG A 425 8.842 -19.583 -8.996 1.00 20.00 C ATOM 319 NH1 ARG A 425 8.321 -19.678 -10.186 1.00 20.00 N ATOM 320 NH2 ARG A 425 8.704 -20.604 -8.200 1.00 20.00 N ATOM 0 H ARG A 425 8.505 -13.085 -8.293 1.00 20.00 H new ATOM 0 HA ARG A 425 6.342 -15.104 -8.145 1.00 20.00 H new ATOM 0 HB2 ARG A 425 9.311 -15.310 -7.477 1.00 20.00 H new ATOM 0 HB3 ARG A 425 8.131 -16.575 -7.198 1.00 20.00 H new ATOM 0 HG2 ARG A 425 7.686 -16.730 -9.640 1.00 20.00 H new ATOM 0 HG3 ARG A 425 8.811 -15.421 -9.944 1.00 20.00 H new ATOM 0 HD2 ARG A 425 9.938 -17.529 -10.401 1.00 20.00 H new ATOM 0 HD3 ARG A 425 10.668 -16.803 -8.983 1.00 20.00 H new ATOM 0 HE ARG A 425 9.847 -18.527 -7.633 1.00 20.00 H new ATOM 0 HH11 ARG A 425 8.405 -18.902 -10.843 1.00 20.00 H new ATOM 0 HH12 ARG A 425 7.829 -20.528 -10.461 1.00 20.00 H new ATOM 0 HH21 ARG A 425 9.096 -20.574 -7.259 1.00 20.00 H new ATOM 0 HH22 ARG A 425 8.204 -21.434 -8.517 1.00 20.00 H new ATOM 334 N CYS A 426 6.348 -13.098 -6.104 1.00 20.00 N ATOM 335 CA CYS A 426 6.003 -12.592 -4.783 1.00 20.00 C ATOM 336 C CYS A 426 4.799 -13.314 -4.150 1.00 20.00 C ATOM 337 O CYS A 426 3.832 -13.684 -4.823 1.00 20.00 O ATOM 338 CB CYS A 426 5.813 -11.100 -4.847 1.00 20.00 C ATOM 339 SG CYS A 426 7.155 -10.180 -4.034 1.00 20.00 S ATOM 0 H CYS A 426 6.115 -12.457 -6.863 1.00 20.00 H new ATOM 0 HA CYS A 426 6.836 -12.809 -4.114 1.00 20.00 H new ATOM 0 HB2 CYS A 426 5.748 -10.792 -5.890 1.00 20.00 H new ATOM 0 HB3 CYS A 426 4.864 -10.839 -4.378 1.00 20.00 H new ATOM 0 HG CYS A 426 6.657 -9.172 -3.381 1.00 20.00 H new ATOM 344 N LYS A 427 4.858 -13.451 -2.823 1.00 20.00 N ATOM 345 CA LYS A 427 3.827 -14.080 -1.985 1.00 20.00 C ATOM 346 C LYS A 427 2.629 -13.177 -1.674 1.00 20.00 C ATOM 347 O LYS A 427 1.664 -13.662 -1.081 1.00 20.00 O ATOM 348 CB LYS A 427 4.491 -14.612 -0.701 1.00 20.00 C ATOM 349 CG LYS A 427 5.437 -15.793 -0.986 1.00 20.00 C ATOM 350 CD LYS A 427 6.122 -16.327 0.282 1.00 20.00 C ATOM 351 CE LYS A 427 7.144 -15.326 0.842 1.00 20.00 C ATOM 352 NZ LYS A 427 7.807 -15.846 2.066 1.00 20.00 N ATOM 0 H LYS A 427 5.654 -13.115 -2.280 1.00 20.00 H new ATOM 0 HA LYS A 427 3.398 -14.903 -2.556 1.00 20.00 H new ATOM 0 HB2 LYS A 427 5.050 -13.808 -0.222 1.00 20.00 H new ATOM 0 HB3 LYS A 427 3.720 -14.927 0.002 1.00 20.00 H new ATOM 0 HG2 LYS A 427 4.873 -16.599 -1.456 1.00 20.00 H new ATOM 0 HG3 LYS A 427 6.198 -15.479 -1.700 1.00 20.00 H new ATOM 0 HD2 LYS A 427 5.368 -16.540 1.040 1.00 20.00 H new ATOM 0 HD3 LYS A 427 6.622 -17.269 0.056 1.00 20.00 H new ATOM 0 HE2 LYS A 427 7.897 -15.111 0.083 1.00 20.00 H new ATOM 0 HE3 LYS A 427 6.644 -14.385 1.071 1.00 20.00 H new ATOM 0 HZ1 LYS A 427 8.490 -15.144 2.416 1.00 20.00 H new ATOM 0 HZ2 LYS A 427 7.091 -16.027 2.798 1.00 20.00 H new ATOM 0 HZ3 LYS A 427 8.305 -16.731 1.842 1.00 20.00 H new ATOM 366 N TYR A 428 2.652 -11.894 -2.051 1.00 20.00 N ATOM 367 CA TYR A 428 1.736 -10.883 -1.530 1.00 20.00 C ATOM 368 C TYR A 428 1.079 -10.108 -2.670 1.00 20.00 C ATOM 369 O TYR A 428 1.578 -10.115 -3.799 1.00 20.00 O ATOM 370 CB TYR A 428 2.532 -9.955 -0.599 1.00 20.00 C ATOM 371 CG TYR A 428 3.442 -10.668 0.386 1.00 20.00 C ATOM 372 CD1 TYR A 428 2.925 -11.711 1.173 1.00 20.00 C ATOM 373 CD2 TYR A 428 4.813 -10.354 0.454 1.00 20.00 C ATOM 374 CE1 TYR A 428 3.771 -12.468 2.003 1.00 20.00 C ATOM 375 CE2 TYR A 428 5.664 -11.099 1.295 1.00 20.00 C ATOM 376 CZ TYR A 428 5.145 -12.153 2.078 1.00 20.00 C ATOM 377 OH TYR A 428 5.973 -12.878 2.879 1.00 20.00 O ATOM 0 H TYR A 428 3.316 -11.528 -2.734 1.00 20.00 H new ATOM 0 HA TYR A 428 0.930 -11.356 -0.969 1.00 20.00 H new ATOM 0 HB2 TYR A 428 3.136 -9.283 -1.209 1.00 20.00 H new ATOM 0 HB3 TYR A 428 1.830 -9.335 -0.041 1.00 20.00 H new ATOM 0 HD1 TYR A 428 1.869 -11.933 1.140 1.00 20.00 H new ATOM 0 HD2 TYR A 428 5.212 -9.543 -0.138 1.00 20.00 H new ATOM 0 HE1 TYR A 428 3.371 -13.288 2.581 1.00 20.00 H new ATOM 0 HE2 TYR A 428 6.717 -10.863 1.341 1.00 20.00 H new ATOM 0 HH TYR A 428 6.885 -12.527 2.810 1.00 20.00 H new ATOM 387 N ARG A 429 -0.022 -9.405 -2.377 1.00 20.00 N ATOM 388 CA ARG A 429 -0.575 -8.447 -3.355 1.00 20.00 C ATOM 389 C ARG A 429 0.325 -7.208 -3.477 1.00 20.00 C ATOM 390 O ARG A 429 1.163 -6.950 -2.612 1.00 20.00 O ATOM 391 CB ARG A 429 -2.056 -8.120 -3.064 1.00 20.00 C ATOM 392 CG ARG A 429 -2.983 -9.309 -3.388 1.00 20.00 C ATOM 393 CD ARG A 429 -3.410 -10.104 -2.150 1.00 20.00 C ATOM 394 NE ARG A 429 -4.613 -9.518 -1.521 1.00 20.00 N ATOM 395 CZ ARG A 429 -4.738 -8.975 -0.328 1.00 20.00 C ATOM 396 NH1 ARG A 429 -3.730 -8.755 0.457 1.00 20.00 N ATOM 397 NH2 ARG A 429 -5.922 -8.639 0.089 1.00 20.00 N ATOM 0 H ARG A 429 -0.538 -9.473 -1.500 1.00 20.00 H new ATOM 0 HA ARG A 429 -0.577 -8.918 -4.338 1.00 20.00 H new ATOM 0 HB2 ARG A 429 -2.168 -7.848 -2.014 1.00 20.00 H new ATOM 0 HB3 ARG A 429 -2.359 -7.253 -3.652 1.00 20.00 H new ATOM 0 HG2 ARG A 429 -3.873 -8.938 -3.897 1.00 20.00 H new ATOM 0 HG3 ARG A 429 -2.474 -9.978 -4.082 1.00 20.00 H new ATOM 0 HD2 ARG A 429 -3.611 -11.138 -2.431 1.00 20.00 H new ATOM 0 HD3 ARG A 429 -2.593 -10.123 -1.429 1.00 20.00 H new ATOM 0 HE ARG A 429 -5.461 -9.537 -2.088 1.00 20.00 H new ATOM 0 HH11 ARG A 429 -2.787 -9.005 0.159 1.00 20.00 H new ATOM 0 HH12 ARG A 429 -3.880 -8.331 1.373 1.00 20.00 H new ATOM 0 HH21 ARG A 429 -6.736 -8.797 -0.505 1.00 20.00 H new ATOM 0 HH22 ARG A 429 -6.037 -8.217 1.010 1.00 20.00 H new ATOM 411 N HIS A 430 0.144 -6.450 -4.551 1.00 20.00 N ATOM 412 CA HIS A 430 0.908 -5.239 -4.864 1.00 20.00 C ATOM 413 C HIS A 430 -0.028 -4.096 -5.301 1.00 20.00 C ATOM 414 O HIS A 430 -0.914 -4.306 -6.133 1.00 20.00 O ATOM 415 CB HIS A 430 1.931 -5.573 -5.966 1.00 20.00 C ATOM 416 CG HIS A 430 2.916 -6.667 -5.609 1.00 20.00 C ATOM 417 ND1 HIS A 430 2.808 -8.017 -5.888 1.00 20.00 N ATOM 418 CD2 HIS A 430 4.108 -6.499 -4.968 1.00 20.00 C ATOM 419 CE1 HIS A 430 3.903 -8.657 -5.425 1.00 20.00 C ATOM 420 NE2 HIS A 430 4.730 -7.744 -4.875 1.00 20.00 N ATOM 0 H HIS A 430 -0.562 -6.665 -5.255 1.00 20.00 H new ATOM 0 HA HIS A 430 1.435 -4.897 -3.973 1.00 20.00 H new ATOM 0 HB2 HIS A 430 1.391 -5.869 -6.865 1.00 20.00 H new ATOM 0 HB3 HIS A 430 2.488 -4.669 -6.212 1.00 20.00 H new ATOM 0 HD1 HIS A 430 2.024 -8.460 -6.368 1.00 20.00 H new ATOM 0 HD2 HIS A 430 4.502 -5.564 -4.597 1.00 20.00 H new ATOM 0 HE1 HIS A 430 4.086 -9.720 -5.485 1.00 20.00 H new ATOM 428 N ALA A 431 0.188 -2.877 -4.790 1.00 20.00 N ATOM 429 CA ALA A 431 -0.508 -1.682 -5.279 1.00 20.00 C ATOM 430 C ALA A 431 -0.020 -1.335 -6.696 1.00 20.00 C ATOM 431 O ALA A 431 1.143 -0.970 -6.887 1.00 20.00 O ATOM 432 CB ALA A 431 -0.314 -0.513 -4.297 1.00 20.00 C ATOM 0 H ALA A 431 0.845 -2.693 -4.032 1.00 20.00 H new ATOM 0 HA ALA A 431 -1.578 -1.881 -5.338 1.00 20.00 H new ATOM 0 HB1 ALA A 431 -0.836 0.368 -4.672 1.00 20.00 H new ATOM 0 HB2 ALA A 431 -0.718 -0.786 -3.322 1.00 20.00 H new ATOM 0 HB3 ALA A 431 0.749 -0.291 -4.201 1.00 20.00 H new ATOM 438 N ARG A 432 -0.901 -1.476 -7.691 1.00 20.00 N ATOM 439 CA ARG A 432 -0.659 -1.167 -9.117 1.00 20.00 C ATOM 440 C ARG A 432 -1.740 -0.256 -9.721 1.00 20.00 C ATOM 441 O ARG A 432 -1.533 0.312 -10.793 1.00 20.00 O ATOM 442 CB ARG A 432 -0.497 -2.485 -9.908 1.00 20.00 C ATOM 443 CG ARG A 432 0.724 -3.332 -9.492 1.00 20.00 C ATOM 444 CD ARG A 432 2.058 -2.699 -9.915 1.00 20.00 C ATOM 445 NE ARG A 432 3.195 -3.238 -9.140 1.00 20.00 N ATOM 446 CZ ARG A 432 4.310 -3.790 -9.586 1.00 20.00 C ATOM 447 NH1 ARG A 432 4.513 -4.087 -10.838 1.00 20.00 N ATOM 448 NH2 ARG A 432 5.263 -4.037 -8.740 1.00 20.00 N ATOM 0 H ARG A 432 -1.846 -1.823 -7.525 1.00 20.00 H new ATOM 0 HA ARG A 432 0.267 -0.597 -9.189 1.00 20.00 H new ATOM 0 HB2 ARG A 432 -1.399 -3.084 -9.782 1.00 20.00 H new ATOM 0 HB3 ARG A 432 -0.416 -2.250 -10.969 1.00 20.00 H new ATOM 0 HG2 ARG A 432 0.717 -3.465 -8.410 1.00 20.00 H new ATOM 0 HG3 ARG A 432 0.641 -4.324 -9.936 1.00 20.00 H new ATOM 0 HD2 ARG A 432 2.225 -2.879 -10.977 1.00 20.00 H new ATOM 0 HD3 ARG A 432 2.006 -1.619 -9.780 1.00 20.00 H new ATOM 0 HE ARG A 432 3.108 -3.176 -8.126 1.00 20.00 H new ATOM 0 HH11 ARG A 432 3.790 -3.894 -11.532 1.00 20.00 H new ATOM 0 HH12 ARG A 432 5.395 -4.512 -11.125 1.00 20.00 H new ATOM 0 HH21 ARG A 432 5.142 -3.806 -7.754 1.00 20.00 H new ATOM 0 HH22 ARG A 432 6.133 -4.463 -9.061 1.00 20.00 H new ATOM 462 N SER A 433 -2.854 -0.070 -9.011 1.00 20.00 N ATOM 463 CA SER A 433 -3.883 0.947 -9.248 1.00 20.00 C ATOM 464 C SER A 433 -3.708 2.133 -8.285 1.00 20.00 C ATOM 465 O SER A 433 -3.180 1.987 -7.179 1.00 20.00 O ATOM 466 CB SER A 433 -5.269 0.310 -9.117 1.00 20.00 C ATOM 467 OG SER A 433 -6.265 1.222 -9.541 1.00 20.00 O ATOM 0 H SER A 433 -3.076 -0.659 -8.208 1.00 20.00 H new ATOM 0 HA SER A 433 -3.779 1.339 -10.260 1.00 20.00 H new ATOM 0 HB2 SER A 433 -5.318 -0.599 -9.716 1.00 20.00 H new ATOM 0 HB3 SER A 433 -5.448 0.019 -8.082 1.00 20.00 H new ATOM 0 HG SER A 433 -7.148 0.805 -9.455 1.00 20.00 H new ATOM 473 N HIS A 434 -4.148 3.322 -8.698 1.00 20.00 N ATOM 474 CA HIS A 434 -3.900 4.620 -8.047 1.00 20.00 C ATOM 475 C HIS A 434 -4.834 4.922 -6.850 1.00 20.00 C ATOM 476 O HIS A 434 -5.153 6.082 -6.572 1.00 20.00 O ATOM 477 CB HIS A 434 -3.960 5.716 -9.128 1.00 20.00 C ATOM 478 CG HIS A 434 -5.369 6.013 -9.596 1.00 20.00 C ATOM 479 ND1 HIS A 434 -6.327 5.060 -9.955 1.00 20.00 N ATOM 480 CD2 HIS A 434 -5.963 7.240 -9.564 1.00 20.00 C ATOM 481 CE1 HIS A 434 -7.481 5.731 -10.107 1.00 20.00 C ATOM 482 NE2 HIS A 434 -7.287 7.046 -9.899 1.00 20.00 N ATOM 0 H HIS A 434 -4.717 3.416 -9.539 1.00 20.00 H new ATOM 0 HA HIS A 434 -2.909 4.589 -7.594 1.00 20.00 H new ATOM 0 HB2 HIS A 434 -3.514 6.630 -8.735 1.00 20.00 H new ATOM 0 HB3 HIS A 434 -3.357 5.408 -9.982 1.00 20.00 H new ATOM 0 HD2 HIS A 434 -5.489 8.180 -9.323 1.00 20.00 H new ATOM 0 HE1 HIS A 434 -8.429 5.279 -10.360 1.00 20.00 H new ATOM 0 HE2 HIS A 434 -7.997 7.774 -9.976 1.00 20.00 H new ATOM 490 N ILE A 435 -5.306 3.880 -6.161 1.00 20.00 N ATOM 491 CA ILE A 435 -6.420 3.945 -5.198 1.00 20.00 C ATOM 492 C ILE A 435 -6.173 3.009 -4.008 1.00 20.00 C ATOM 493 O ILE A 435 -5.682 1.895 -4.176 1.00 20.00 O ATOM 494 CB ILE A 435 -7.762 3.676 -5.943 1.00 20.00 C ATOM 495 CG1 ILE A 435 -8.236 4.974 -6.644 1.00 20.00 C ATOM 496 CG2 ILE A 435 -8.893 3.144 -5.047 1.00 20.00 C ATOM 497 CD1 ILE A 435 -9.538 4.859 -7.446 1.00 20.00 C ATOM 0 H ILE A 435 -4.917 2.942 -6.256 1.00 20.00 H new ATOM 0 HA ILE A 435 -6.487 4.944 -4.768 1.00 20.00 H new ATOM 0 HB ILE A 435 -7.548 2.888 -6.665 1.00 20.00 H new ATOM 0 HG12 ILE A 435 -8.364 5.748 -5.887 1.00 20.00 H new ATOM 0 HG13 ILE A 435 -7.446 5.312 -7.315 1.00 20.00 H new ATOM 0 HG21 ILE A 435 -9.789 2.985 -5.647 1.00 20.00 H new ATOM 0 HG22 ILE A 435 -8.586 2.200 -4.596 1.00 20.00 H new ATOM 0 HG23 ILE A 435 -9.107 3.869 -4.262 1.00 20.00 H new ATOM 0 HD11 ILE A 435 -9.776 5.824 -7.894 1.00 20.00 H new ATOM 0 HD12 ILE A 435 -9.416 4.114 -8.233 1.00 20.00 H new ATOM 0 HD13 ILE A 435 -10.348 4.557 -6.783 1.00 20.00 H new ATOM 509 N MET A 436 -6.528 3.469 -2.805 1.00 20.00 N ATOM 510 CA MET A 436 -6.591 2.689 -1.562 1.00 20.00 C ATOM 511 C MET A 436 -7.967 2.028 -1.421 1.00 20.00 C ATOM 512 O MET A 436 -8.999 2.646 -1.701 1.00 20.00 O ATOM 513 CB MET A 436 -6.300 3.601 -0.355 1.00 20.00 C ATOM 514 CG MET A 436 -4.835 3.508 0.076 1.00 20.00 C ATOM 515 SD MET A 436 -4.481 2.025 1.054 1.00 20.00 S ATOM 516 CE MET A 436 -2.685 2.145 1.204 1.00 20.00 C ATOM 0 H MET A 436 -6.793 4.444 -2.663 1.00 20.00 H new ATOM 0 HA MET A 436 -5.836 1.904 -1.595 1.00 20.00 H new ATOM 0 HB2 MET A 436 -6.541 4.633 -0.611 1.00 20.00 H new ATOM 0 HB3 MET A 436 -6.944 3.321 0.478 1.00 20.00 H new ATOM 0 HG2 MET A 436 -4.200 3.513 -0.810 1.00 20.00 H new ATOM 0 HG3 MET A 436 -4.576 4.392 0.659 1.00 20.00 H new ATOM 0 HE1 MET A 436 -2.292 1.219 1.624 1.00 20.00 H new ATOM 0 HE2 MET A 436 -2.248 2.311 0.219 1.00 20.00 H new ATOM 0 HE3 MET A 436 -2.429 2.978 1.859 1.00 20.00 H new ATOM 526 N CYS A 437 -7.978 0.769 -0.988 1.00 20.00 N ATOM 527 CA CYS A 437 -9.160 -0.081 -1.031 1.00 20.00 C ATOM 528 C CYS A 437 -10.201 0.247 0.058 1.00 20.00 C ATOM 529 O CYS A 437 -9.856 0.713 1.150 1.00 20.00 O ATOM 530 CB CYS A 437 -8.674 -1.519 -0.947 1.00 20.00 C ATOM 531 SG CYS A 437 -9.946 -2.696 -1.511 1.00 20.00 S ATOM 0 H CYS A 437 -7.158 0.308 -0.594 1.00 20.00 H new ATOM 0 HA CYS A 437 -9.697 0.095 -1.963 1.00 20.00 H new ATOM 0 HB2 CYS A 437 -7.776 -1.635 -1.554 1.00 20.00 H new ATOM 0 HB3 CYS A 437 -8.396 -1.749 0.081 1.00 20.00 H new ATOM 0 HG CYS A 437 -9.742 -3.854 -0.957 1.00 20.00 H new ATOM 536 N ARG A 438 -11.480 -0.052 -0.213 1.00 20.00 N ATOM 537 CA ARG A 438 -12.611 0.255 0.687 1.00 20.00 C ATOM 538 C ARG A 438 -12.578 -0.480 2.021 1.00 20.00 C ATOM 539 O ARG A 438 -13.056 0.049 3.025 1.00 20.00 O ATOM 540 CB ARG A 438 -13.956 0.063 -0.039 1.00 20.00 C ATOM 541 CG ARG A 438 -14.388 -1.413 -0.127 1.00 20.00 C ATOM 542 CD ARG A 438 -15.716 -1.597 -0.874 1.00 20.00 C ATOM 543 NE ARG A 438 -15.600 -1.279 -2.313 1.00 20.00 N ATOM 544 CZ ARG A 438 -16.588 -1.231 -3.190 1.00 20.00 C ATOM 545 NH1 ARG A 438 -17.825 -1.473 -2.857 1.00 20.00 N ATOM 546 NH2 ARG A 438 -16.349 -0.936 -4.436 1.00 20.00 N ATOM 0 H ARG A 438 -11.766 -0.520 -1.073 1.00 20.00 H new ATOM 0 HA ARG A 438 -12.500 1.307 0.951 1.00 20.00 H new ATOM 0 HB2 ARG A 438 -14.727 0.631 0.481 1.00 20.00 H new ATOM 0 HB3 ARG A 438 -13.881 0.474 -1.046 1.00 20.00 H new ATOM 0 HG2 ARG A 438 -13.610 -1.986 -0.631 1.00 20.00 H new ATOM 0 HG3 ARG A 438 -14.482 -1.821 0.880 1.00 20.00 H new ATOM 0 HD2 ARG A 438 -16.056 -2.626 -0.758 1.00 20.00 H new ATOM 0 HD3 ARG A 438 -16.475 -0.958 -0.423 1.00 20.00 H new ATOM 0 HE ARG A 438 -14.664 -1.076 -2.664 1.00 20.00 H new ATOM 0 HH11 ARG A 438 -18.057 -1.709 -1.892 1.00 20.00 H new ATOM 0 HH12 ARG A 438 -18.561 -1.426 -3.561 1.00 20.00 H new ATOM 0 HH21 ARG A 438 -15.395 -0.740 -4.740 1.00 20.00 H new ATOM 0 HH22 ARG A 438 -17.116 -0.901 -5.108 1.00 20.00 H new ATOM 560 N GLU A 439 -11.996 -1.677 2.033 1.00 20.00 N ATOM 561 CA GLU A 439 -11.830 -2.476 3.249 1.00 20.00 C ATOM 562 C GLU A 439 -10.442 -2.294 3.900 1.00 20.00 C ATOM 563 O GLU A 439 -10.197 -2.755 5.018 1.00 20.00 O ATOM 564 CB GLU A 439 -12.105 -3.962 2.962 1.00 20.00 C ATOM 565 CG GLU A 439 -13.541 -4.292 2.533 1.00 20.00 C ATOM 566 CD GLU A 439 -14.590 -3.884 3.586 1.00 20.00 C ATOM 567 OE1 GLU A 439 -14.540 -4.391 4.733 1.00 20.00 O ATOM 568 OE2 GLU A 439 -15.486 -3.063 3.271 1.00 20.00 O ATOM 0 H GLU A 439 -11.623 -2.124 1.195 1.00 20.00 H new ATOM 0 HA GLU A 439 -12.563 -2.111 3.968 1.00 20.00 H new ATOM 0 HB2 GLU A 439 -11.424 -4.296 2.180 1.00 20.00 H new ATOM 0 HB3 GLU A 439 -11.869 -4.538 3.857 1.00 20.00 H new ATOM 0 HG2 GLU A 439 -13.760 -3.784 1.594 1.00 20.00 H new ATOM 0 HG3 GLU A 439 -13.621 -5.362 2.343 1.00 20.00 H new ATOM 575 N GLY A 440 -9.515 -1.634 3.203 1.00 20.00 N ATOM 576 CA GLY A 440 -8.122 -1.457 3.609 1.00 20.00 C ATOM 577 C GLY A 440 -7.409 -2.803 3.745 1.00 20.00 C ATOM 578 O GLY A 440 -7.462 -3.645 2.850 1.00 20.00 O ATOM 0 H GLY A 440 -9.723 -1.192 2.307 1.00 20.00 H new ATOM 0 HA2 GLY A 440 -7.603 -0.840 2.876 1.00 20.00 H new ATOM 0 HA3 GLY A 440 -8.082 -0.924 4.559 1.00 20.00 H new ATOM 582 N ALA A 441 -6.766 -3.021 4.891 1.00 20.00 N ATOM 583 CA ALA A 441 -6.090 -4.280 5.221 1.00 20.00 C ATOM 584 C ALA A 441 -7.048 -5.389 5.720 1.00 20.00 C ATOM 585 O ALA A 441 -6.618 -6.522 5.942 1.00 20.00 O ATOM 586 CB ALA A 441 -4.965 -3.974 6.212 1.00 20.00 C ATOM 0 H ALA A 441 -6.698 -2.320 5.628 1.00 20.00 H new ATOM 0 HA ALA A 441 -5.668 -4.699 4.308 1.00 20.00 H new ATOM 0 HB1 ALA A 441 -4.448 -4.898 6.472 1.00 20.00 H new ATOM 0 HB2 ALA A 441 -4.259 -3.278 5.758 1.00 20.00 H new ATOM 0 HB3 ALA A 441 -5.385 -3.528 7.113 1.00 20.00 H new ATOM 592 N ASN A 442 -8.348 -5.091 5.866 1.00 20.00 N ATOM 593 CA ASN A 442 -9.392 -6.075 6.186 1.00 20.00 C ATOM 594 C ASN A 442 -9.911 -6.792 4.923 1.00 20.00 C ATOM 595 O ASN A 442 -10.669 -7.759 5.031 1.00 20.00 O ATOM 596 CB ASN A 442 -10.552 -5.393 6.936 1.00 20.00 C ATOM 597 CG ASN A 442 -10.113 -4.516 8.096 1.00 20.00 C ATOM 598 OD1 ASN A 442 -9.883 -4.974 9.208 1.00 20.00 O ATOM 599 ND2 ASN A 442 -9.972 -3.228 7.871 1.00 20.00 N ATOM 0 H ASN A 442 -8.709 -4.143 5.763 1.00 20.00 H new ATOM 0 HA ASN A 442 -8.948 -6.834 6.830 1.00 20.00 H new ATOM 0 HB2 ASN A 442 -11.119 -4.786 6.230 1.00 20.00 H new ATOM 0 HB3 ASN A 442 -11.229 -6.161 7.311 1.00 20.00 H new ATOM 0 HD21 ASN A 442 -9.671 -2.609 8.623 1.00 20.00 H new ATOM 0 HD22 ASN A 442 -10.164 -2.848 6.944 1.00 20.00 H new ATOM 606 N CYS A 443 -9.521 -6.311 3.734 1.00 20.00 N ATOM 607 CA CYS A 443 -9.942 -6.830 2.442 1.00 20.00 C ATOM 608 C CYS A 443 -9.589 -8.319 2.262 1.00 20.00 C ATOM 609 O CYS A 443 -8.434 -8.727 2.434 1.00 20.00 O ATOM 610 CB CYS A 443 -9.265 -5.975 1.373 1.00 20.00 C ATOM 611 SG CYS A 443 -9.970 -6.315 -0.278 1.00 20.00 S ATOM 0 H CYS A 443 -8.881 -5.521 3.652 1.00 20.00 H new ATOM 0 HA CYS A 443 -11.028 -6.774 2.361 1.00 20.00 H new ATOM 0 HB2 CYS A 443 -9.388 -4.919 1.615 1.00 20.00 H new ATOM 0 HB3 CYS A 443 -8.194 -6.178 1.364 1.00 20.00 H new ATOM 0 HG CYS A 443 -9.162 -5.871 -1.195 1.00 20.00 H new ATOM 616 N THR A 444 -10.579 -9.124 1.875 1.00 20.00 N ATOM 617 CA THR A 444 -10.449 -10.570 1.613 1.00 20.00 C ATOM 618 C THR A 444 -10.168 -10.898 0.141 1.00 20.00 C ATOM 619 O THR A 444 -10.165 -12.070 -0.246 1.00 20.00 O ATOM 620 CB THR A 444 -11.683 -11.335 2.122 1.00 20.00 C ATOM 621 OG1 THR A 444 -12.870 -10.745 1.625 1.00 20.00 O ATOM 622 CG2 THR A 444 -11.748 -11.327 3.650 1.00 20.00 C ATOM 0 H THR A 444 -11.529 -8.782 1.728 1.00 20.00 H new ATOM 0 HA THR A 444 -9.574 -10.903 2.171 1.00 20.00 H new ATOM 0 HB THR A 444 -11.595 -12.362 1.768 1.00 20.00 H new ATOM 0 HG1 THR A 444 -13.646 -11.243 1.956 1.00 20.00 H new ATOM 0 HG21 THR A 444 -12.631 -11.875 3.980 1.00 20.00 H new ATOM 0 HG22 THR A 444 -10.854 -11.801 4.055 1.00 20.00 H new ATOM 0 HG23 THR A 444 -11.806 -10.299 4.006 1.00 20.00 H new ATOM 630 N ARG A 445 -9.923 -9.886 -0.703 1.00 20.00 N ATOM 631 CA ARG A 445 -9.732 -10.040 -2.154 1.00 20.00 C ATOM 632 C ARG A 445 -8.270 -10.303 -2.513 1.00 20.00 C ATOM 633 O ARG A 445 -7.395 -9.478 -2.236 1.00 20.00 O ATOM 634 CB ARG A 445 -10.297 -8.789 -2.848 1.00 20.00 C ATOM 635 CG ARG A 445 -10.470 -8.930 -4.370 1.00 20.00 C ATOM 636 CD ARG A 445 -11.554 -7.970 -4.875 1.00 20.00 C ATOM 637 NE ARG A 445 -11.645 -7.972 -6.347 1.00 20.00 N ATOM 638 CZ ARG A 445 -11.136 -7.076 -7.176 1.00 20.00 C ATOM 639 NH1 ARG A 445 -10.396 -6.084 -6.777 1.00 20.00 N ATOM 640 NH2 ARG A 445 -11.374 -7.164 -8.453 1.00 20.00 N ATOM 0 H ARG A 445 -9.850 -8.918 -0.391 1.00 20.00 H new ATOM 0 HA ARG A 445 -10.273 -10.918 -2.507 1.00 20.00 H new ATOM 0 HB2 ARG A 445 -11.264 -8.548 -2.406 1.00 20.00 H new ATOM 0 HB3 ARG A 445 -9.635 -7.947 -2.646 1.00 20.00 H new ATOM 0 HG2 ARG A 445 -9.525 -8.718 -4.871 1.00 20.00 H new ATOM 0 HG3 ARG A 445 -10.740 -9.956 -4.618 1.00 20.00 H new ATOM 0 HD2 ARG A 445 -12.517 -8.254 -4.451 1.00 20.00 H new ATOM 0 HD3 ARG A 445 -11.337 -6.961 -4.526 1.00 20.00 H new ATOM 0 HE ARG A 445 -12.155 -8.747 -6.771 1.00 20.00 H new ATOM 0 HH11 ARG A 445 -10.185 -5.972 -5.785 1.00 20.00 H new ATOM 0 HH12 ARG A 445 -10.026 -5.418 -7.456 1.00 20.00 H new ATOM 0 HH21 ARG A 445 -11.952 -7.923 -8.813 1.00 20.00 H new ATOM 0 HH22 ARG A 445 -10.982 -6.474 -9.094 1.00 20.00 H new ATOM 654 N ILE A 446 -8.007 -11.429 -3.174 1.00 20.00 N ATOM 655 CA ILE A 446 -6.706 -11.739 -3.799 1.00 20.00 C ATOM 656 C ILE A 446 -6.540 -10.997 -5.134 1.00 20.00 C ATOM 657 O ILE A 446 -5.432 -10.625 -5.513 1.00 20.00 O ATOM 658 CB ILE A 446 -6.538 -13.274 -3.927 1.00 20.00 C ATOM 659 CG1 ILE A 446 -6.513 -13.967 -2.543 1.00 20.00 C ATOM 660 CG2 ILE A 446 -5.286 -13.657 -4.733 1.00 20.00 C ATOM 661 CD1 ILE A 446 -5.414 -13.483 -1.588 1.00 20.00 C ATOM 0 H ILE A 446 -8.698 -12.169 -3.297 1.00 20.00 H new ATOM 0 HA ILE A 446 -5.901 -11.378 -3.159 1.00 20.00 H new ATOM 0 HB ILE A 446 -7.411 -13.629 -4.474 1.00 20.00 H new ATOM 0 HG12 ILE A 446 -7.480 -13.818 -2.063 1.00 20.00 H new ATOM 0 HG13 ILE A 446 -6.394 -15.040 -2.694 1.00 20.00 H new ATOM 0 HG21 ILE A 446 -5.211 -14.743 -4.795 1.00 20.00 H new ATOM 0 HG22 ILE A 446 -5.358 -13.240 -5.738 1.00 20.00 H new ATOM 0 HG23 ILE A 446 -4.399 -13.260 -4.238 1.00 20.00 H new ATOM 0 HD11 ILE A 446 -5.482 -14.030 -0.648 1.00 20.00 H new ATOM 0 HD12 ILE A 446 -4.437 -13.658 -2.039 1.00 20.00 H new ATOM 0 HD13 ILE A 446 -5.541 -12.417 -1.398 1.00 20.00 H new ATOM 673 N ASP A 447 -7.651 -10.712 -5.814 1.00 20.00 N ATOM 674 CA ASP A 447 -7.688 -10.076 -7.131 1.00 20.00 C ATOM 675 C ASP A 447 -7.488 -8.548 -7.100 1.00 20.00 C ATOM 676 O ASP A 447 -7.526 -7.922 -8.161 1.00 20.00 O ATOM 677 CB ASP A 447 -9.011 -10.447 -7.822 1.00 20.00 C ATOM 678 CG ASP A 447 -9.159 -11.964 -8.021 1.00 20.00 C ATOM 679 OD1 ASP A 447 -8.645 -12.497 -9.032 1.00 20.00 O ATOM 680 OD2 ASP A 447 -9.800 -12.623 -7.166 1.00 20.00 O ATOM 0 H ASP A 447 -8.580 -10.925 -5.451 1.00 20.00 H new ATOM 0 HA ASP A 447 -6.838 -10.456 -7.698 1.00 20.00 H new ATOM 0 HB2 ASP A 447 -9.846 -10.078 -7.226 1.00 20.00 H new ATOM 0 HB3 ASP A 447 -9.065 -9.949 -8.790 1.00 20.00 H new ATOM 685 N CYS A 448 -7.286 -7.916 -5.931 1.00 20.00 N ATOM 686 CA CYS A 448 -7.121 -6.484 -5.829 1.00 20.00 C ATOM 687 C CYS A 448 -5.742 -6.007 -6.311 1.00 20.00 C ATOM 688 O CYS A 448 -4.705 -6.615 -6.040 1.00 20.00 O ATOM 689 CB CYS A 448 -7.391 -6.123 -4.401 1.00 20.00 C ATOM 690 SG CYS A 448 -9.078 -5.544 -4.028 1.00 20.00 S ATOM 0 H CYS A 448 -7.235 -8.401 -5.035 1.00 20.00 H new ATOM 0 HA CYS A 448 -7.821 -5.974 -6.490 1.00 20.00 H new ATOM 0 HB2 CYS A 448 -7.182 -6.995 -3.781 1.00 20.00 H new ATOM 0 HB3 CYS A 448 -6.687 -5.345 -4.104 1.00 20.00 H new ATOM 0 HG CYS A 448 -9.027 -4.617 -3.118 1.00 20.00 H new ATOM 695 N LEU A 449 -5.767 -4.846 -6.963 1.00 20.00 N ATOM 696 CA LEU A 449 -4.599 -4.085 -7.409 1.00 20.00 C ATOM 697 C LEU A 449 -4.478 -2.753 -6.653 1.00 20.00 C ATOM 698 O LEU A 449 -3.650 -1.911 -7.003 1.00 20.00 O ATOM 699 CB LEU A 449 -4.655 -3.888 -8.937 1.00 20.00 C ATOM 700 CG LEU A 449 -4.797 -5.207 -9.727 1.00 20.00 C ATOM 701 CD1 LEU A 449 -6.254 -5.512 -10.094 1.00 20.00 C ATOM 702 CD2 LEU A 449 -3.998 -5.138 -11.031 1.00 20.00 C ATOM 0 H LEU A 449 -6.645 -4.387 -7.207 1.00 20.00 H new ATOM 0 HA LEU A 449 -3.697 -4.652 -7.177 1.00 20.00 H new ATOM 0 HB2 LEU A 449 -5.495 -3.237 -9.180 1.00 20.00 H new ATOM 0 HB3 LEU A 449 -3.750 -3.376 -9.262 1.00 20.00 H new ATOM 0 HG LEU A 449 -4.419 -5.995 -9.075 1.00 20.00 H new ATOM 0 HD11 LEU A 449 -6.301 -6.449 -10.648 1.00 20.00 H new ATOM 0 HD12 LEU A 449 -6.848 -5.598 -9.184 1.00 20.00 H new ATOM 0 HD13 LEU A 449 -6.650 -4.705 -10.711 1.00 20.00 H new ATOM 0 HD21 LEU A 449 -4.109 -6.076 -11.576 1.00 20.00 H new ATOM 0 HD22 LEU A 449 -4.371 -4.317 -11.643 1.00 20.00 H new ATOM 0 HD23 LEU A 449 -2.945 -4.973 -10.804 1.00 20.00 H new ATOM 714 N PHE A 450 -5.316 -2.537 -5.636 1.00 20.00 N ATOM 715 CA PHE A 450 -5.364 -1.305 -4.859 1.00 20.00 C ATOM 716 C PHE A 450 -4.310 -1.342 -3.753 1.00 20.00 C ATOM 717 O PHE A 450 -3.769 -2.399 -3.420 1.00 20.00 O ATOM 718 CB PHE A 450 -6.771 -1.170 -4.255 1.00 20.00 C ATOM 719 CG PHE A 450 -7.900 -1.009 -5.255 1.00 20.00 C ATOM 720 CD1 PHE A 450 -7.846 -0.011 -6.248 1.00 20.00 C ATOM 721 CD2 PHE A 450 -9.034 -1.837 -5.169 1.00 20.00 C ATOM 722 CE1 PHE A 450 -8.917 0.154 -7.145 1.00 20.00 C ATOM 723 CE2 PHE A 450 -10.106 -1.671 -6.060 1.00 20.00 C ATOM 724 CZ PHE A 450 -10.049 -0.677 -7.053 1.00 20.00 C ATOM 0 H PHE A 450 -5.994 -3.233 -5.326 1.00 20.00 H new ATOM 0 HA PHE A 450 -5.153 -0.448 -5.499 1.00 20.00 H new ATOM 0 HB2 PHE A 450 -6.972 -2.051 -3.646 1.00 20.00 H new ATOM 0 HB3 PHE A 450 -6.778 -0.311 -3.584 1.00 20.00 H new ATOM 0 HD1 PHE A 450 -6.979 0.629 -6.321 1.00 20.00 H new ATOM 0 HD2 PHE A 450 -9.080 -2.606 -4.412 1.00 20.00 H new ATOM 0 HE1 PHE A 450 -8.870 0.920 -7.905 1.00 20.00 H new ATOM 0 HE2 PHE A 450 -10.975 -2.307 -5.983 1.00 20.00 H new ATOM 0 HZ PHE A 450 -10.871 -0.552 -7.742 1.00 20.00 H new ATOM 734 N GLY A 451 -4.066 -0.193 -3.130 1.00 20.00 N ATOM 735 CA GLY A 451 -3.408 -0.144 -1.836 1.00 20.00 C ATOM 736 C GLY A 451 -4.225 -0.895 -0.781 1.00 20.00 C ATOM 737 O GLY A 451 -5.389 -0.575 -0.529 1.00 20.00 O ATOM 0 H GLY A 451 -4.318 0.721 -3.507 1.00 20.00 H new ATOM 0 HA2 GLY A 451 -2.413 -0.583 -1.912 1.00 20.00 H new ATOM 0 HA3 GLY A 451 -3.276 0.894 -1.529 1.00 20.00 H new ATOM 741 N HIS A 452 -3.592 -1.879 -0.155 1.00 20.00 N ATOM 742 CA HIS A 452 -3.971 -2.463 1.124 1.00 20.00 C ATOM 743 C HIS A 452 -2.780 -2.211 2.086 1.00 20.00 C ATOM 744 O HIS A 452 -1.681 -2.709 1.821 1.00 20.00 O ATOM 745 CB HIS A 452 -4.290 -3.962 0.965 1.00 20.00 C ATOM 746 CG HIS A 452 -5.204 -4.368 -0.182 1.00 20.00 C ATOM 747 ND1 HIS A 452 -4.997 -5.408 -1.069 1.00 20.00 N ATOM 748 CD2 HIS A 452 -6.490 -3.950 -0.375 1.00 20.00 C ATOM 749 CE1 HIS A 452 -6.137 -5.654 -1.748 1.00 20.00 C ATOM 750 NE2 HIS A 452 -7.077 -4.774 -1.350 1.00 20.00 N ATOM 0 H HIS A 452 -2.757 -2.314 -0.547 1.00 20.00 H new ATOM 0 HA HIS A 452 -4.878 -2.010 1.524 1.00 20.00 H new ATOM 0 HB2 HIS A 452 -3.347 -4.496 0.849 1.00 20.00 H new ATOM 0 HB3 HIS A 452 -4.741 -4.310 1.894 1.00 20.00 H new ATOM 0 HD1 HIS A 452 -4.118 -5.912 -1.191 1.00 20.00 H new ATOM 0 HD2 HIS A 452 -6.972 -3.128 0.134 1.00 20.00 H new ATOM 0 HE1 HIS A 452 -6.274 -6.428 -2.488 1.00 20.00 H new ATOM 758 N PRO A 453 -2.931 -1.392 3.146 1.00 20.00 N ATOM 759 CA PRO A 453 -1.805 -0.856 3.921 1.00 20.00 C ATOM 760 C PRO A 453 -1.063 -1.911 4.762 1.00 20.00 C ATOM 761 O PRO A 453 -1.557 -3.015 5.002 1.00 20.00 O ATOM 762 CB PRO A 453 -2.405 0.266 4.779 1.00 20.00 C ATOM 763 CG PRO A 453 -3.857 -0.171 4.960 1.00 20.00 C ATOM 764 CD PRO A 453 -4.178 -0.815 3.616 1.00 20.00 C ATOM 0 HA PRO A 453 -1.025 -0.488 3.255 1.00 20.00 H new ATOM 0 HB2 PRO A 453 -1.891 0.360 5.735 1.00 20.00 H new ATOM 0 HB3 PRO A 453 -2.335 1.234 4.283 1.00 20.00 H new ATOM 0 HG2 PRO A 453 -3.969 -0.875 5.784 1.00 20.00 H new ATOM 0 HG3 PRO A 453 -4.512 0.674 5.172 1.00 20.00 H new ATOM 0 HD2 PRO A 453 -4.947 -1.580 3.723 1.00 20.00 H new ATOM 0 HD3 PRO A 453 -4.558 -0.077 2.910 1.00 20.00 H new ATOM 772 N ILE A 454 0.126 -1.540 5.252 1.00 20.00 N ATOM 773 CA ILE A 454 1.039 -2.369 6.051 1.00 20.00 C ATOM 774 C ILE A 454 1.421 -1.581 7.310 1.00 20.00 C ATOM 775 O ILE A 454 1.558 -0.360 7.256 1.00 20.00 O ATOM 776 CB ILE A 454 2.279 -2.756 5.210 1.00 20.00 C ATOM 777 CG1 ILE A 454 1.903 -3.641 3.997 1.00 20.00 C ATOM 778 CG2 ILE A 454 3.317 -3.518 6.051 1.00 20.00 C ATOM 779 CD1 ILE A 454 1.805 -2.815 2.718 1.00 20.00 C ATOM 0 H ILE A 454 0.498 -0.603 5.094 1.00 20.00 H new ATOM 0 HA ILE A 454 0.557 -3.300 6.350 1.00 20.00 H new ATOM 0 HB ILE A 454 2.704 -1.816 4.857 1.00 20.00 H new ATOM 0 HG12 ILE A 454 2.650 -4.425 3.870 1.00 20.00 H new ATOM 0 HG13 ILE A 454 0.951 -4.136 4.187 1.00 20.00 H new ATOM 0 HG21 ILE A 454 4.174 -3.773 5.427 1.00 20.00 H new ATOM 0 HG22 ILE A 454 3.645 -2.891 6.880 1.00 20.00 H new ATOM 0 HG23 ILE A 454 2.868 -4.431 6.443 1.00 20.00 H new ATOM 0 HD11 ILE A 454 1.540 -3.465 1.884 1.00 20.00 H new ATOM 0 HD12 ILE A 454 1.040 -2.048 2.838 1.00 20.00 H new ATOM 0 HD13 ILE A 454 2.766 -2.341 2.517 1.00 20.00 H new ATOM 791 N ASN A 455 1.553 -2.247 8.461 1.00 20.00 N ATOM 792 CA ASN A 455 1.977 -1.617 9.717 1.00 20.00 C ATOM 793 C ASN A 455 3.499 -1.353 9.697 1.00 20.00 C ATOM 794 O ASN A 455 4.296 -2.165 10.172 1.00 20.00 O ATOM 795 CB ASN A 455 1.513 -2.499 10.892 1.00 20.00 C ATOM 796 CG ASN A 455 1.792 -1.881 12.255 1.00 20.00 C ATOM 797 OD1 ASN A 455 2.141 -0.716 12.397 1.00 20.00 O ATOM 798 ND2 ASN A 455 1.622 -2.639 13.315 1.00 20.00 N ATOM 0 H ASN A 455 1.367 -3.246 8.549 1.00 20.00 H new ATOM 0 HA ASN A 455 1.512 -0.639 9.842 1.00 20.00 H new ATOM 0 HB2 ASN A 455 0.443 -2.685 10.797 1.00 20.00 H new ATOM 0 HB3 ASN A 455 2.012 -3.466 10.830 1.00 20.00 H new ATOM 0 HD21 ASN A 455 1.781 -2.256 14.247 1.00 20.00 H new ATOM 0 HD22 ASN A 455 1.331 -3.611 13.206 1.00 20.00 H new ATOM 805 N GLU A 456 3.905 -0.234 9.092 1.00 20.00 N ATOM 806 CA GLU A 456 5.302 0.166 8.875 1.00 20.00 C ATOM 807 C GLU A 456 5.413 1.698 8.795 1.00 20.00 C ATOM 808 O GLU A 456 4.458 2.355 8.388 1.00 20.00 O ATOM 809 CB GLU A 456 5.806 -0.472 7.567 1.00 20.00 C ATOM 810 CG GLU A 456 7.331 -0.684 7.598 1.00 20.00 C ATOM 811 CD GLU A 456 7.873 -1.619 6.494 1.00 20.00 C ATOM 812 OE1 GLU A 456 7.099 -2.304 5.788 1.00 20.00 O ATOM 813 OE2 GLU A 456 9.117 -1.724 6.363 1.00 20.00 O ATOM 0 H GLU A 456 3.243 0.449 8.723 1.00 20.00 H new ATOM 0 HA GLU A 456 5.913 -0.177 9.710 1.00 20.00 H new ATOM 0 HB2 GLU A 456 5.307 -1.428 7.411 1.00 20.00 H new ATOM 0 HB3 GLU A 456 5.543 0.166 6.724 1.00 20.00 H new ATOM 0 HG2 GLU A 456 7.821 0.285 7.508 1.00 20.00 H new ATOM 0 HG3 GLU A 456 7.608 -1.092 8.570 1.00 20.00 H new ATOM 820 N ASP A 457 6.555 2.283 9.155 1.00 20.00 N ATOM 821 CA ASP A 457 6.759 3.742 9.160 1.00 20.00 C ATOM 822 C ASP A 457 7.334 4.260 7.826 1.00 20.00 C ATOM 823 O ASP A 457 8.401 3.809 7.395 1.00 20.00 O ATOM 824 CB ASP A 457 7.649 4.113 10.355 1.00 20.00 C ATOM 825 CG ASP A 457 7.861 5.632 10.486 1.00 20.00 C ATOM 826 OD1 ASP A 457 6.857 6.383 10.522 1.00 20.00 O ATOM 827 OD2 ASP A 457 9.030 6.073 10.600 1.00 20.00 O ATOM 0 H ASP A 457 7.376 1.757 9.455 1.00 20.00 H new ATOM 0 HA ASP A 457 5.792 4.233 9.267 1.00 20.00 H new ATOM 0 HB2 ASP A 457 7.198 3.732 11.271 1.00 20.00 H new ATOM 0 HB3 ASP A 457 8.617 3.623 10.249 1.00 20.00 H new ATOM 832 N CYS A 458 6.637 5.202 7.172 1.00 20.00 N ATOM 833 CA CYS A 458 7.024 5.741 5.861 1.00 20.00 C ATOM 834 C CYS A 458 8.412 6.414 5.840 1.00 20.00 C ATOM 835 O CYS A 458 8.856 7.043 6.807 1.00 20.00 O ATOM 836 CB CYS A 458 5.920 6.676 5.341 1.00 20.00 C ATOM 837 SG CYS A 458 6.227 7.109 3.580 1.00 20.00 S ATOM 0 H CYS A 458 5.781 5.614 7.543 1.00 20.00 H new ATOM 0 HA CYS A 458 7.126 4.893 5.184 1.00 20.00 H new ATOM 0 HB2 CYS A 458 4.948 6.192 5.440 1.00 20.00 H new ATOM 0 HB3 CYS A 458 5.887 7.583 5.945 1.00 20.00 H new ATOM 0 HG CYS A 458 5.120 7.515 3.034 1.00 20.00 H new ATOM 842 N ARG A 459 9.066 6.320 4.677 1.00 20.00 N ATOM 843 CA ARG A 459 10.362 6.944 4.359 1.00 20.00 C ATOM 844 C ARG A 459 10.274 8.471 4.219 1.00 20.00 C ATOM 845 O ARG A 459 11.311 9.137 4.222 1.00 20.00 O ATOM 846 CB ARG A 459 10.935 6.319 3.072 1.00 20.00 C ATOM 847 CG ARG A 459 11.151 4.799 3.185 1.00 20.00 C ATOM 848 CD ARG A 459 11.803 4.208 1.926 1.00 20.00 C ATOM 849 NE ARG A 459 13.201 4.655 1.760 1.00 20.00 N ATOM 850 CZ ARG A 459 13.980 4.438 0.714 1.00 20.00 C ATOM 851 NH1 ARG A 459 13.573 3.772 -0.330 1.00 20.00 N ATOM 852 NH2 ARG A 459 15.201 4.890 0.698 1.00 20.00 N ATOM 0 H ARG A 459 8.692 5.783 3.894 1.00 20.00 H new ATOM 0 HA ARG A 459 11.030 6.749 5.198 1.00 20.00 H new ATOM 0 HB2 ARG A 459 10.258 6.523 2.243 1.00 20.00 H new ATOM 0 HB3 ARG A 459 11.884 6.798 2.834 1.00 20.00 H new ATOM 0 HG2 ARG A 459 11.779 4.587 4.050 1.00 20.00 H new ATOM 0 HG3 ARG A 459 10.193 4.310 3.359 1.00 20.00 H new ATOM 0 HD2 ARG A 459 11.775 3.120 1.981 1.00 20.00 H new ATOM 0 HD3 ARG A 459 11.224 4.497 1.049 1.00 20.00 H new ATOM 0 HE ARG A 459 13.607 5.185 2.531 1.00 20.00 H new ATOM 0 HH11 ARG A 459 12.624 3.398 -0.358 1.00 20.00 H new ATOM 0 HH12 ARG A 459 14.203 3.625 -1.118 1.00 20.00 H new ATOM 0 HH21 ARG A 459 15.561 5.415 1.495 1.00 20.00 H new ATOM 0 HH22 ARG A 459 15.797 4.719 -0.112 1.00 20.00 H new ATOM 866 N PHE A 460 9.062 9.025 4.109 1.00 20.00 N ATOM 867 CA PHE A 460 8.800 10.462 3.937 1.00 20.00 C ATOM 868 C PHE A 460 7.894 11.059 5.029 1.00 20.00 C ATOM 869 O PHE A 460 7.998 12.255 5.317 1.00 20.00 O ATOM 870 CB PHE A 460 8.191 10.682 2.546 1.00 20.00 C ATOM 871 CG PHE A 460 9.166 10.525 1.396 1.00 20.00 C ATOM 872 CD1 PHE A 460 9.470 9.249 0.882 1.00 20.00 C ATOM 873 CD2 PHE A 460 9.769 11.668 0.837 1.00 20.00 C ATOM 874 CE1 PHE A 460 10.386 9.116 -0.176 1.00 20.00 C ATOM 875 CE2 PHE A 460 10.684 11.534 -0.224 1.00 20.00 C ATOM 876 CZ PHE A 460 10.995 10.258 -0.728 1.00 20.00 C ATOM 0 H PHE A 460 8.207 8.469 4.138 1.00 20.00 H new ATOM 0 HA PHE A 460 9.751 10.987 4.032 1.00 20.00 H new ATOM 0 HB2 PHE A 460 7.371 9.978 2.408 1.00 20.00 H new ATOM 0 HB3 PHE A 460 7.762 11.683 2.506 1.00 20.00 H new ATOM 0 HD1 PHE A 460 8.999 8.372 1.301 1.00 20.00 H new ATOM 0 HD2 PHE A 460 9.529 12.648 1.223 1.00 20.00 H new ATOM 0 HE1 PHE A 460 10.622 8.137 -0.565 1.00 20.00 H new ATOM 0 HE2 PHE A 460 11.147 12.411 -0.651 1.00 20.00 H new ATOM 0 HZ PHE A 460 11.701 10.155 -1.539 1.00 20.00 H new ATOM 886 N GLY A 461 7.010 10.265 5.645 1.00 20.00 N ATOM 887 CA GLY A 461 6.150 10.682 6.755 1.00 20.00 C ATOM 888 C GLY A 461 5.219 11.828 6.361 1.00 20.00 C ATOM 889 O GLY A 461 4.338 11.668 5.519 1.00 20.00 O ATOM 0 H GLY A 461 6.871 9.291 5.377 1.00 20.00 H new ATOM 0 HA2 GLY A 461 5.556 9.832 7.092 1.00 20.00 H new ATOM 0 HA3 GLY A 461 6.770 10.992 7.597 1.00 20.00 H new ATOM 893 N VAL A 462 5.441 13.002 6.951 1.00 20.00 N ATOM 894 CA VAL A 462 4.661 14.231 6.682 1.00 20.00 C ATOM 895 C VAL A 462 4.985 14.911 5.345 1.00 20.00 C ATOM 896 O VAL A 462 4.229 15.773 4.894 1.00 20.00 O ATOM 897 CB VAL A 462 4.755 15.249 7.837 1.00 20.00 C ATOM 898 CG1 VAL A 462 4.157 14.672 9.123 1.00 20.00 C ATOM 899 CG2 VAL A 462 6.191 15.712 8.116 1.00 20.00 C ATOM 0 H VAL A 462 6.178 13.138 7.643 1.00 20.00 H new ATOM 0 HA VAL A 462 3.632 13.880 6.606 1.00 20.00 H new ATOM 0 HB VAL A 462 4.182 16.118 7.514 1.00 20.00 H new ATOM 0 HG11 VAL A 462 4.235 15.408 9.923 1.00 20.00 H new ATOM 0 HG12 VAL A 462 3.108 14.425 8.958 1.00 20.00 H new ATOM 0 HG13 VAL A 462 4.702 13.771 9.405 1.00 20.00 H new ATOM 0 HG21 VAL A 462 6.189 16.427 8.939 1.00 20.00 H new ATOM 0 HG22 VAL A 462 6.805 14.852 8.383 1.00 20.00 H new ATOM 0 HG23 VAL A 462 6.600 16.187 7.224 1.00 20.00 H new ATOM 909 N ASN A 463 6.084 14.514 4.698 1.00 20.00 N ATOM 910 CA ASN A 463 6.555 15.077 3.425 1.00 20.00 C ATOM 911 C ASN A 463 5.945 14.366 2.198 1.00 20.00 C ATOM 912 O ASN A 463 5.885 14.950 1.115 1.00 20.00 O ATOM 913 CB ASN A 463 8.094 15.015 3.382 1.00 20.00 C ATOM 914 CG ASN A 463 8.764 15.692 4.567 1.00 20.00 C ATOM 915 OD1 ASN A 463 8.978 16.896 4.587 1.00 20.00 O ATOM 916 ND2 ASN A 463 9.105 14.946 5.595 1.00 20.00 N ATOM 0 H ASN A 463 6.688 13.773 5.053 1.00 20.00 H new ATOM 0 HA ASN A 463 6.223 16.114 3.374 1.00 20.00 H new ATOM 0 HB2 ASN A 463 8.406 13.971 3.346 1.00 20.00 H new ATOM 0 HB3 ASN A 463 8.443 15.484 2.462 1.00 20.00 H new ATOM 0 HD21 ASN A 463 9.548 15.372 6.409 1.00 20.00 H new ATOM 0 HD22 ASN A 463 8.926 13.942 5.578 1.00 20.00 H new ATOM 923 N CYS A 464 5.491 13.122 2.375 1.00 20.00 N ATOM 924 CA CYS A 464 5.013 12.196 1.348 1.00 20.00 C ATOM 925 C CYS A 464 3.883 12.780 0.471 1.00 20.00 C ATOM 926 O CYS A 464 2.992 13.471 0.978 1.00 20.00 O ATOM 927 CB CYS A 464 4.557 10.939 2.104 1.00 20.00 C ATOM 928 SG CYS A 464 4.551 9.445 1.048 1.00 20.00 S ATOM 0 H CYS A 464 5.445 12.708 3.306 1.00 20.00 H new ATOM 0 HA CYS A 464 5.809 11.977 0.637 1.00 20.00 H new ATOM 0 HB2 CYS A 464 5.215 10.774 2.957 1.00 20.00 H new ATOM 0 HB3 CYS A 464 3.555 11.102 2.502 1.00 20.00 H new ATOM 0 HG CYS A 464 3.956 8.474 1.674 1.00 20.00 H new ATOM 933 N LYS A 465 3.928 12.513 -0.844 1.00 20.00 N ATOM 934 CA LYS A 465 2.947 12.994 -1.845 1.00 20.00 C ATOM 935 C LYS A 465 2.192 11.884 -2.591 1.00 20.00 C ATOM 936 O LYS A 465 1.294 12.188 -3.378 1.00 20.00 O ATOM 937 CB LYS A 465 3.634 13.972 -2.824 1.00 20.00 C ATOM 938 CG LYS A 465 4.127 15.267 -2.156 1.00 20.00 C ATOM 939 CD LYS A 465 2.979 16.205 -1.738 1.00 20.00 C ATOM 940 CE LYS A 465 3.452 17.280 -0.755 1.00 20.00 C ATOM 941 NZ LYS A 465 3.685 16.707 0.595 1.00 20.00 N ATOM 0 H LYS A 465 4.665 11.942 -1.257 1.00 20.00 H new ATOM 0 HA LYS A 465 2.171 13.517 -1.285 1.00 20.00 H new ATOM 0 HB2 LYS A 465 4.480 13.470 -3.292 1.00 20.00 H new ATOM 0 HB3 LYS A 465 2.935 14.227 -3.620 1.00 20.00 H new ATOM 0 HG2 LYS A 465 4.719 15.013 -1.277 1.00 20.00 H new ATOM 0 HG3 LYS A 465 4.788 15.795 -2.844 1.00 20.00 H new ATOM 0 HD2 LYS A 465 2.559 16.682 -2.623 1.00 20.00 H new ATOM 0 HD3 LYS A 465 2.180 15.621 -1.281 1.00 20.00 H new ATOM 0 HE2 LYS A 465 4.371 17.735 -1.124 1.00 20.00 H new ATOM 0 HE3 LYS A 465 2.707 18.073 -0.693 1.00 20.00 H new ATOM 0 HZ1 LYS A 465 3.955 17.466 1.252 1.00 20.00 H new ATOM 0 HZ2 LYS A 465 2.814 16.250 0.933 1.00 20.00 H new ATOM 0 HZ3 LYS A 465 4.449 16.003 0.546 1.00 20.00 H new ATOM 955 N ASN A 466 2.509 10.612 -2.341 1.00 20.00 N ATOM 956 CA ASN A 466 1.725 9.478 -2.842 1.00 20.00 C ATOM 957 C ASN A 466 0.415 9.343 -2.029 1.00 20.00 C ATOM 958 O ASN A 466 0.415 9.472 -0.803 1.00 20.00 O ATOM 959 CB ASN A 466 2.618 8.222 -2.840 1.00 20.00 C ATOM 960 CG ASN A 466 1.939 6.958 -3.354 1.00 20.00 C ATOM 961 OD1 ASN A 466 0.806 6.955 -3.809 1.00 20.00 O ATOM 962 ND2 ASN A 466 2.613 5.835 -3.305 1.00 20.00 N ATOM 0 H ASN A 466 3.318 10.337 -1.784 1.00 20.00 H new ATOM 0 HA ASN A 466 1.407 9.631 -3.873 1.00 20.00 H new ATOM 0 HB2 ASN A 466 3.500 8.418 -3.450 1.00 20.00 H new ATOM 0 HB3 ASN A 466 2.968 8.043 -1.823 1.00 20.00 H new ATOM 0 HD21 ASN A 466 2.190 4.971 -3.645 1.00 20.00 H new ATOM 0 HD22 ASN A 466 3.560 5.825 -2.927 1.00 20.00 H new ATOM 969 N ILE A 467 -0.706 9.094 -2.712 1.00 20.00 N ATOM 970 CA ILE A 467 -2.060 9.053 -2.126 1.00 20.00 C ATOM 971 C ILE A 467 -2.422 7.640 -1.622 1.00 20.00 C ATOM 972 O ILE A 467 -3.212 7.473 -0.693 1.00 20.00 O ATOM 973 CB ILE A 467 -3.100 9.550 -3.164 1.00 20.00 C ATOM 974 CG1 ILE A 467 -2.664 10.775 -4.004 1.00 20.00 C ATOM 975 CG2 ILE A 467 -4.441 9.844 -2.477 1.00 20.00 C ATOM 976 CD1 ILE A 467 -2.258 12.015 -3.202 1.00 20.00 C ATOM 0 H ILE A 467 -0.703 8.910 -3.715 1.00 20.00 H new ATOM 0 HA ILE A 467 -2.074 9.716 -1.261 1.00 20.00 H new ATOM 0 HB ILE A 467 -3.197 8.730 -3.875 1.00 20.00 H new ATOM 0 HG12 ILE A 467 -1.825 10.481 -4.634 1.00 20.00 H new ATOM 0 HG13 ILE A 467 -3.483 11.047 -4.670 1.00 20.00 H new ATOM 0 HG21 ILE A 467 -5.161 10.192 -3.218 1.00 20.00 H new ATOM 0 HG22 ILE A 467 -4.815 8.935 -2.006 1.00 20.00 H new ATOM 0 HG23 ILE A 467 -4.300 10.614 -1.719 1.00 20.00 H new ATOM 0 HD11 ILE A 467 -1.971 12.813 -3.887 1.00 20.00 H new ATOM 0 HD12 ILE A 467 -3.099 12.345 -2.592 1.00 20.00 H new ATOM 0 HD13 ILE A 467 -1.415 11.770 -2.556 1.00 20.00 H new ATOM 988 N TYR A 468 -1.815 6.622 -2.233 1.00 20.00 N ATOM 989 CA TYR A 468 -2.067 5.186 -2.051 1.00 20.00 C ATOM 990 C TYR A 468 -0.803 4.457 -1.550 1.00 20.00 C ATOM 991 O TYR A 468 -0.511 3.319 -1.928 1.00 20.00 O ATOM 992 CB TYR A 468 -2.673 4.608 -3.349 1.00 20.00 C ATOM 993 CG TYR A 468 -1.914 4.964 -4.620 1.00 20.00 C ATOM 994 CD1 TYR A 468 -2.221 6.158 -5.302 1.00 20.00 C ATOM 995 CD2 TYR A 468 -0.892 4.125 -5.109 1.00 20.00 C ATOM 996 CE1 TYR A 468 -1.497 6.535 -6.449 1.00 20.00 C ATOM 997 CE2 TYR A 468 -0.168 4.490 -6.262 1.00 20.00 C ATOM 998 CZ TYR A 468 -0.463 5.701 -6.929 1.00 20.00 C ATOM 999 OH TYR A 468 0.223 6.060 -8.049 1.00 20.00 O ATOM 0 H TYR A 468 -1.079 6.789 -2.920 1.00 20.00 H new ATOM 0 HA TYR A 468 -2.804 5.025 -1.264 1.00 20.00 H new ATOM 0 HB2 TYR A 468 -2.718 3.522 -3.261 1.00 20.00 H new ATOM 0 HB3 TYR A 468 -3.699 4.963 -3.444 1.00 20.00 H new ATOM 0 HD1 TYR A 468 -3.019 6.790 -4.942 1.00 20.00 H new ATOM 0 HD2 TYR A 468 -0.663 3.201 -4.599 1.00 20.00 H new ATOM 0 HE1 TYR A 468 -1.731 7.458 -6.959 1.00 20.00 H new ATOM 0 HE2 TYR A 468 0.613 3.844 -6.636 1.00 20.00 H new ATOM 0 HH TYR A 468 0.902 5.382 -8.248 1.00 20.00 H new ATOM 1009 N CYS A 469 -0.040 5.142 -0.694 1.00 20.00 N ATOM 1010 CA CYS A 469 1.229 4.708 -0.140 1.00 20.00 C ATOM 1011 C CYS A 469 1.012 3.663 0.969 1.00 20.00 C ATOM 1012 O CYS A 469 0.027 3.693 1.713 1.00 20.00 O ATOM 1013 CB CYS A 469 1.931 5.986 0.312 1.00 20.00 C ATOM 1014 SG CYS A 469 3.586 5.685 1.034 1.00 20.00 S ATOM 0 H CYS A 469 -0.313 6.064 -0.355 1.00 20.00 H new ATOM 0 HA CYS A 469 1.860 4.189 -0.861 1.00 20.00 H new ATOM 0 HB2 CYS A 469 2.031 6.659 -0.540 1.00 20.00 H new ATOM 0 HB3 CYS A 469 1.308 6.494 1.048 1.00 20.00 H new ATOM 0 HG CYS A 469 3.713 6.373 2.130 1.00 20.00 H new ATOM 1019 N LEU A 470 1.930 2.705 1.037 1.00 20.00 N ATOM 1020 CA LEU A 470 1.765 1.422 1.728 1.00 20.00 C ATOM 1021 C LEU A 470 2.291 1.415 3.166 1.00 20.00 C ATOM 1022 O LEU A 470 1.948 0.531 3.950 1.00 20.00 O ATOM 1023 CB LEU A 470 2.411 0.360 0.830 1.00 20.00 C ATOM 1024 CG LEU A 470 1.619 0.126 -0.471 1.00 20.00 C ATOM 1025 CD1 LEU A 470 2.422 -0.789 -1.388 1.00 20.00 C ATOM 1026 CD2 LEU A 470 0.256 -0.514 -0.198 1.00 20.00 C ATOM 0 H LEU A 470 2.845 2.800 0.597 1.00 20.00 H new ATOM 0 HA LEU A 470 0.706 1.207 1.870 1.00 20.00 H new ATOM 0 HB2 LEU A 470 3.427 0.667 0.583 1.00 20.00 H new ATOM 0 HB3 LEU A 470 2.487 -0.578 1.379 1.00 20.00 H new ATOM 0 HG LEU A 470 1.451 1.095 -0.942 1.00 20.00 H new ATOM 0 HD11 LEU A 470 1.866 -0.958 -2.310 1.00 20.00 H new ATOM 0 HD12 LEU A 470 3.379 -0.322 -1.621 1.00 20.00 H new ATOM 0 HD13 LEU A 470 2.596 -1.742 -0.889 1.00 20.00 H new ATOM 0 HD21 LEU A 470 -0.271 -0.663 -1.140 1.00 20.00 H new ATOM 0 HD22 LEU A 470 0.398 -1.476 0.294 1.00 20.00 H new ATOM 0 HD23 LEU A 470 -0.331 0.140 0.447 1.00 20.00 H new ATOM 1038 N PHE A 471 3.059 2.438 3.524 1.00 20.00 N ATOM 1039 CA PHE A 471 3.542 2.705 4.870 1.00 20.00 C ATOM 1040 C PHE A 471 2.617 3.719 5.570 1.00 20.00 C ATOM 1041 O PHE A 471 1.982 4.553 4.920 1.00 20.00 O ATOM 1042 CB PHE A 471 4.976 3.240 4.786 1.00 20.00 C ATOM 1043 CG PHE A 471 6.017 2.385 4.075 1.00 20.00 C ATOM 1044 CD1 PHE A 471 6.039 2.297 2.667 1.00 20.00 C ATOM 1045 CD2 PHE A 471 7.030 1.746 4.817 1.00 20.00 C ATOM 1046 CE1 PHE A 471 7.032 1.545 2.014 1.00 20.00 C ATOM 1047 CE2 PHE A 471 8.032 1.006 4.165 1.00 20.00 C ATOM 1048 CZ PHE A 471 8.029 0.897 2.763 1.00 20.00 C ATOM 0 H PHE A 471 3.376 3.135 2.850 1.00 20.00 H new ATOM 0 HA PHE A 471 3.539 1.786 5.456 1.00 20.00 H new ATOM 0 HB2 PHE A 471 4.942 4.209 4.288 1.00 20.00 H new ATOM 0 HB3 PHE A 471 5.327 3.417 5.803 1.00 20.00 H new ATOM 0 HD1 PHE A 471 5.287 2.811 2.086 1.00 20.00 H new ATOM 0 HD2 PHE A 471 7.037 1.825 5.894 1.00 20.00 H new ATOM 0 HE1 PHE A 471 7.028 1.466 0.937 1.00 20.00 H new ATOM 0 HE2 PHE A 471 8.805 0.520 4.742 1.00 20.00 H new ATOM 0 HZ PHE A 471 8.791 0.317 2.263 1.00 20.00 H new ATOM 1058 N ARG A 472 2.549 3.671 6.902 1.00 20.00 N ATOM 1059 CA ARG A 472 1.795 4.616 7.743 1.00 20.00 C ATOM 1060 C ARG A 472 2.498 5.975 7.833 1.00 20.00 C ATOM 1061 O ARG A 472 3.723 6.064 7.719 1.00 20.00 O ATOM 1062 CB ARG A 472 1.526 4.015 9.138 1.00 20.00 C ATOM 1063 CG ARG A 472 0.958 2.584 9.139 1.00 20.00 C ATOM 1064 CD ARG A 472 -0.305 2.409 8.281 1.00 20.00 C ATOM 1065 NE ARG A 472 -0.719 0.992 8.241 1.00 20.00 N ATOM 1066 CZ ARG A 472 -1.761 0.433 8.832 1.00 20.00 C ATOM 1067 NH1 ARG A 472 -2.592 1.113 9.570 1.00 20.00 N ATOM 1068 NH2 ARG A 472 -1.999 -0.840 8.693 1.00 20.00 N ATOM 0 H ARG A 472 3.030 2.954 7.446 1.00 20.00 H new ATOM 0 HA ARG A 472 0.830 4.791 7.268 1.00 20.00 H new ATOM 0 HB2 ARG A 472 2.458 4.019 9.703 1.00 20.00 H new ATOM 0 HB3 ARG A 472 0.830 4.665 9.668 1.00 20.00 H new ATOM 0 HG2 ARG A 472 1.726 1.900 8.779 1.00 20.00 H new ATOM 0 HG3 ARG A 472 0.730 2.296 10.165 1.00 20.00 H new ATOM 0 HD2 ARG A 472 -1.113 3.017 8.687 1.00 20.00 H new ATOM 0 HD3 ARG A 472 -0.115 2.766 7.269 1.00 20.00 H new ATOM 0 HE ARG A 472 -0.129 0.369 7.690 1.00 20.00 H new ATOM 0 HH11 ARG A 472 -2.450 2.114 9.708 1.00 20.00 H new ATOM 0 HH12 ARG A 472 -3.385 0.645 10.009 1.00 20.00 H new ATOM 0 HH21 ARG A 472 -1.379 -1.416 8.124 1.00 20.00 H new ATOM 0 HH22 ARG A 472 -2.806 -1.261 9.153 1.00 20.00 H new ATOM 1082 N HIS A 473 1.713 7.029 8.060 1.00 20.00 N ATOM 1083 CA HIS A 473 2.158 8.428 8.096 1.00 20.00 C ATOM 1084 C HIS A 473 1.731 9.116 9.409 1.00 20.00 C ATOM 1085 O HIS A 473 0.660 8.788 9.937 1.00 20.00 O ATOM 1086 CB HIS A 473 1.581 9.193 6.890 1.00 20.00 C ATOM 1087 CG HIS A 473 1.838 8.551 5.550 1.00 20.00 C ATOM 1088 ND1 HIS A 473 0.978 7.734 4.844 1.00 20.00 N ATOM 1089 CD2 HIS A 473 2.993 8.637 4.830 1.00 20.00 C ATOM 1090 CE1 HIS A 473 1.611 7.308 3.734 1.00 20.00 C ATOM 1091 NE2 HIS A 473 2.840 7.851 3.689 1.00 20.00 N ATOM 0 H HIS A 473 0.712 6.931 8.230 1.00 20.00 H new ATOM 0 HA HIS A 473 3.247 8.439 8.046 1.00 20.00 H new ATOM 0 HB2 HIS A 473 0.505 9.298 7.026 1.00 20.00 H new ATOM 0 HB3 HIS A 473 2.001 10.199 6.881 1.00 20.00 H new ATOM 0 HD1 HIS A 473 0.025 7.494 5.117 1.00 20.00 H new ATOM 0 HD2 HIS A 473 3.869 9.211 5.096 1.00 20.00 H new ATOM 0 HE1 HIS A 473 1.197 6.636 2.997 1.00 20.00 H new ATOM 1099 N PRO A 474 2.495 10.101 9.924 1.00 20.00 N ATOM 1100 CA PRO A 474 2.085 10.914 11.069 1.00 20.00 C ATOM 1101 C PRO A 474 0.861 11.806 10.766 1.00 20.00 C ATOM 1102 O PRO A 474 0.503 11.992 9.594 1.00 20.00 O ATOM 1103 CB PRO A 474 3.308 11.764 11.442 1.00 20.00 C ATOM 1104 CG PRO A 474 4.484 11.050 10.783 1.00 20.00 C ATOM 1105 CD PRO A 474 3.846 10.468 9.529 1.00 20.00 C ATOM 0 HA PRO A 474 1.768 10.272 11.890 1.00 20.00 H new ATOM 0 HB2 PRO A 474 3.208 12.786 11.076 1.00 20.00 H new ATOM 0 HB3 PRO A 474 3.435 11.824 12.523 1.00 20.00 H new ATOM 0 HG2 PRO A 474 5.296 11.737 10.545 1.00 20.00 H new ATOM 0 HG3 PRO A 474 4.901 10.274 11.425 1.00 20.00 H new ATOM 0 HD2 PRO A 474 3.835 11.196 8.718 1.00 20.00 H new ATOM 0 HD3 PRO A 474 4.401 9.601 9.171 1.00 20.00 H new ATOM 1113 N PRO A 475 0.224 12.403 11.790 1.00 20.00 N ATOM 1114 CA PRO A 475 -0.831 13.402 11.614 1.00 20.00 C ATOM 1115 C PRO A 475 -0.354 14.647 10.844 1.00 20.00 C ATOM 1116 O PRO A 475 0.805 15.057 10.954 1.00 20.00 O ATOM 1117 CB PRO A 475 -1.297 13.771 13.030 1.00 20.00 C ATOM 1118 CG PRO A 475 -0.880 12.568 13.876 1.00 20.00 C ATOM 1119 CD PRO A 475 0.416 12.125 13.204 1.00 20.00 C ATOM 0 HA PRO A 475 -1.641 12.994 11.010 1.00 20.00 H new ATOM 0 HB2 PRO A 475 -0.825 14.689 13.380 1.00 20.00 H new ATOM 0 HB3 PRO A 475 -2.374 13.932 13.067 1.00 20.00 H new ATOM 0 HG2 PRO A 475 -0.723 12.841 14.920 1.00 20.00 H new ATOM 0 HG3 PRO A 475 -1.634 11.781 13.862 1.00 20.00 H new ATOM 0 HD2 PRO A 475 1.272 12.671 13.600 1.00 20.00 H new ATOM 0 HD3 PRO A 475 0.607 11.066 13.375 1.00 20.00 H new ATOM 1127 N GLY A 476 -1.255 15.273 10.081 1.00 20.00 N ATOM 1128 CA GLY A 476 -0.991 16.540 9.380 1.00 20.00 C ATOM 1129 C GLY A 476 -0.095 16.441 8.135 1.00 20.00 C ATOM 1130 O GLY A 476 0.404 17.465 7.662 1.00 20.00 O ATOM 0 H GLY A 476 -2.198 14.914 9.929 1.00 20.00 H new ATOM 0 HA2 GLY A 476 -1.945 16.975 9.084 1.00 20.00 H new ATOM 0 HA3 GLY A 476 -0.529 17.233 10.083 1.00 20.00 H new ATOM 1134 N ARG A 477 0.119 15.235 7.585 1.00 20.00 N ATOM 1135 CA ARG A 477 0.836 14.986 6.324 1.00 20.00 C ATOM 1136 C ARG A 477 0.117 15.655 5.155 1.00 20.00 C ATOM 1137 O ARG A 477 -1.093 15.488 4.989 1.00 20.00 O ATOM 1138 CB ARG A 477 1.066 13.472 6.102 1.00 20.00 C ATOM 1139 CG ARG A 477 -0.138 12.581 5.727 1.00 20.00 C ATOM 1140 CD ARG A 477 -1.310 12.636 6.717 1.00 20.00 C ATOM 1141 NE ARG A 477 -2.198 11.464 6.585 1.00 20.00 N ATOM 1142 CZ ARG A 477 -2.306 10.445 7.422 1.00 20.00 C ATOM 1143 NH1 ARG A 477 -1.579 10.340 8.498 1.00 20.00 N ATOM 1144 NH2 ARG A 477 -3.157 9.490 7.184 1.00 20.00 N ATOM 0 H ARG A 477 -0.214 14.376 8.022 1.00 20.00 H new ATOM 0 HA ARG A 477 1.825 15.439 6.388 1.00 20.00 H new ATOM 0 HB2 ARG A 477 1.813 13.364 5.316 1.00 20.00 H new ATOM 0 HB3 ARG A 477 1.503 13.068 7.015 1.00 20.00 H new ATOM 0 HG2 ARG A 477 -0.498 12.877 4.742 1.00 20.00 H new ATOM 0 HG3 ARG A 477 0.203 11.549 5.645 1.00 20.00 H new ATOM 0 HD2 ARG A 477 -0.923 12.686 7.735 1.00 20.00 H new ATOM 0 HD3 ARG A 477 -1.884 13.547 6.549 1.00 20.00 H new ATOM 0 HE ARG A 477 -2.794 11.437 5.758 1.00 20.00 H new ATOM 0 HH11 ARG A 477 -0.893 11.061 8.723 1.00 20.00 H new ATOM 0 HH12 ARG A 477 -1.695 9.537 9.116 1.00 20.00 H new ATOM 0 HH21 ARG A 477 -3.743 9.525 6.350 1.00 20.00 H new ATOM 0 HH22 ARG A 477 -3.238 8.706 7.831 1.00 20.00 H new ATOM 1158 N VAL A 478 0.847 16.441 4.368 1.00 20.00 N ATOM 1159 CA VAL A 478 0.233 17.321 3.363 1.00 20.00 C ATOM 1160 C VAL A 478 0.055 16.581 2.040 1.00 20.00 C ATOM 1161 O VAL A 478 1.026 16.142 1.420 1.00 20.00 O ATOM 1162 CB VAL A 478 1.010 18.633 3.157 1.00 20.00 C ATOM 1163 CG1 VAL A 478 0.206 19.624 2.306 1.00 20.00 C ATOM 1164 CG2 VAL A 478 1.359 19.327 4.482 1.00 20.00 C ATOM 0 H VAL A 478 1.865 16.490 4.403 1.00 20.00 H new ATOM 0 HA VAL A 478 -0.747 17.602 3.749 1.00 20.00 H new ATOM 0 HB VAL A 478 1.932 18.351 2.649 1.00 20.00 H new ATOM 0 HG11 VAL A 478 0.780 20.542 2.177 1.00 20.00 H new ATOM 0 HG12 VAL A 478 0.002 19.183 1.330 1.00 20.00 H new ATOM 0 HG13 VAL A 478 -0.736 19.852 2.805 1.00 20.00 H new ATOM 0 HG21 VAL A 478 1.907 20.247 4.278 1.00 20.00 H new ATOM 0 HG22 VAL A 478 0.442 19.563 5.022 1.00 20.00 H new ATOM 0 HG23 VAL A 478 1.977 18.664 5.088 1.00 20.00 H new ATOM 1174 N LEU A 479 -1.198 16.474 1.610 1.00 20.00 N ATOM 1175 CA LEU A 479 -1.661 15.744 0.422 1.00 20.00 C ATOM 1176 C LEU A 479 -2.745 16.547 -0.333 1.00 20.00 C ATOM 1177 O LEU A 479 -3.529 17.255 0.309 1.00 20.00 O ATOM 1178 CB LEU A 479 -2.234 14.376 0.857 1.00 20.00 C ATOM 1179 CG LEU A 479 -1.217 13.372 1.435 1.00 20.00 C ATOM 1180 CD1 LEU A 479 -1.949 12.130 1.948 1.00 20.00 C ATOM 1181 CD2 LEU A 479 -0.203 12.919 0.388 1.00 20.00 C ATOM 0 H LEU A 479 -1.969 16.920 2.108 1.00 20.00 H new ATOM 0 HA LEU A 479 -0.816 15.597 -0.250 1.00 20.00 H new ATOM 0 HB2 LEU A 479 -3.009 14.549 1.604 1.00 20.00 H new ATOM 0 HB3 LEU A 479 -2.719 13.917 -0.004 1.00 20.00 H new ATOM 0 HG LEU A 479 -0.690 13.881 2.242 1.00 20.00 H new ATOM 0 HD11 LEU A 479 -1.226 11.424 2.355 1.00 20.00 H new ATOM 0 HD12 LEU A 479 -2.653 12.419 2.728 1.00 20.00 H new ATOM 0 HD13 LEU A 479 -2.490 11.661 1.126 1.00 20.00 H new ATOM 0 HD21 LEU A 479 0.494 12.212 0.838 1.00 20.00 H new ATOM 0 HD22 LEU A 479 -0.725 12.437 -0.439 1.00 20.00 H new ATOM 0 HD23 LEU A 479 0.347 13.784 0.016 1.00 20.00 H new ATOM 1193 N PRO A 480 -2.835 16.431 -1.674 1.00 20.00 N ATOM 1194 CA PRO A 480 -3.916 17.027 -2.463 1.00 20.00 C ATOM 1195 C PRO A 480 -5.258 16.301 -2.253 1.00 20.00 C ATOM 1196 O PRO A 480 -5.306 15.148 -1.817 1.00 20.00 O ATOM 1197 CB PRO A 480 -3.439 16.944 -3.916 1.00 20.00 C ATOM 1198 CG PRO A 480 -2.599 15.668 -3.923 1.00 20.00 C ATOM 1199 CD PRO A 480 -1.932 15.690 -2.547 1.00 20.00 C ATOM 0 HA PRO A 480 -4.112 18.056 -2.161 1.00 20.00 H new ATOM 0 HB2 PRO A 480 -4.275 16.882 -4.613 1.00 20.00 H new ATOM 0 HB3 PRO A 480 -2.851 17.817 -4.199 1.00 20.00 H new ATOM 0 HG2 PRO A 480 -3.215 14.779 -4.059 1.00 20.00 H new ATOM 0 HG3 PRO A 480 -1.864 15.672 -4.728 1.00 20.00 H new ATOM 0 HD2 PRO A 480 -1.772 14.678 -2.175 1.00 20.00 H new ATOM 0 HD3 PRO A 480 -0.955 16.170 -2.595 1.00 20.00 H new