USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=23 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 162:sc= 0.521 USER MOD Set 1.2: A 464 CYS SG : rot -156:sc= 0.126 USER MOD Set 1.3: A 469 CYS SG : rot -135:sc= -0.404 USER MOD Set 1.4: A 473 HIS : no HE2:sc= 0.0374 X(o=0.28,f=0.42) USER MOD Set 2.1: A 437 CYS SG : rot -158:sc= 0.0672 USER MOD Set 2.2: A 443 CYS SG : rot -153:sc= 0.496 USER MOD Set 2.3: A 448 CYS SG : rot -103:sc= 0.542 USER MOD Set 2.4: A 452 HIS : no HE2:sc= -1.64! X(o=-0.53!,f=-0.52) USER MOD Set 3.1: A 415 CYS SG : rot -124:sc= 0.101 USER MOD Set 3.2: A 421 CYS SG : rot -132:sc= -0.0506 USER MOD Set 3.3: A 423 ASN : amide:sc= 0.445 K(o=0.41,f=-1.6) USER MOD Set 3.4: A 426 CYS SG : rot 114:sc= 1.2 USER MOD Set 3.5: A 430 HIS : no HE2:sc= -1.28! C(o=0.41!,f=-5.9!) USER MOD Set 4.1: A 427 LYS NZ :NH3+ 148:sc= 0.665 (180deg=0) USER MOD Set 4.2: A 428 TYR OH : rot 167:sc= 0.593 USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 170:sc= 0 USER MOD Single : A 414 GLN : amide:sc= 0.704 K(o=0.7,f=-4.1!) USER MOD Single : A 416 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.16) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=-0.049) 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 433 SER OG : rot -136:sc= 0.0538 USER MOD Single : A 434 HIS : no HD1:sc= 0.00315 K(o=0.0031,f=-0.9) USER MOD Single : A 436 MET CE :methyl -136:sc= 0 (180deg=-0.00573) USER MOD Single : A 442 ASN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 455 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 463 ASN : amide:sc= 0.607 K(o=0.61,f=0) USER MOD Single : A 465 LYS NZ :NH3+ 160:sc= 2.44 (180deg=1.81) USER MOD Single : A 466 ASN : amide:sc= -0.152 K(o=-0.15,f=-5.4!) USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 409 -0.849 -13.976 -5.825 1.00 20.00 N ATOM 62 CA GLU A 409 -0.658 -13.045 -4.706 1.00 20.00 C ATOM 63 C GLU A 409 -1.668 -13.327 -3.583 1.00 20.00 C ATOM 64 O GLU A 409 -2.426 -12.455 -3.157 1.00 20.00 O ATOM 65 CB GLU A 409 -0.755 -11.591 -5.189 1.00 20.00 C ATOM 66 CG GLU A 409 0.226 -11.202 -6.299 1.00 20.00 C ATOM 67 CD GLU A 409 -0.132 -9.827 -6.898 1.00 20.00 C ATOM 68 OE1 GLU A 409 -1.064 -9.765 -7.735 1.00 20.00 O ATOM 69 OE2 GLU A 409 0.510 -8.802 -6.561 1.00 20.00 O ATOM 0 HA GLU A 409 0.342 -13.197 -4.299 1.00 20.00 H new ATOM 0 HB2 GLU A 409 -1.770 -11.411 -5.544 1.00 20.00 H new ATOM 0 HB3 GLU A 409 -0.594 -10.931 -4.337 1.00 20.00 H new ATOM 0 HG2 GLU A 409 1.240 -11.176 -5.900 1.00 20.00 H new ATOM 0 HG3 GLU A 409 0.212 -11.959 -7.083 1.00 20.00 H new ATOM 76 N LYS A 410 -1.736 -14.589 -3.150 1.00 20.00 N ATOM 77 CA LYS A 410 -2.877 -15.170 -2.425 1.00 20.00 C ATOM 78 C LYS A 410 -2.825 -14.955 -0.917 1.00 20.00 C ATOM 79 O LYS A 410 -3.710 -15.411 -0.192 1.00 20.00 O ATOM 80 CB LYS A 410 -3.051 -16.647 -2.817 1.00 20.00 C ATOM 81 CG LYS A 410 -3.350 -16.821 -4.316 1.00 20.00 C ATOM 82 CD LYS A 410 -3.614 -18.291 -4.665 1.00 20.00 C ATOM 83 CE LYS A 410 -3.925 -18.426 -6.162 1.00 20.00 C ATOM 84 NZ LYS A 410 -4.203 -19.838 -6.537 1.00 20.00 N ATOM 0 H LYS A 410 -0.979 -15.256 -3.297 1.00 20.00 H new ATOM 0 HA LYS A 410 -3.769 -14.626 -2.735 1.00 20.00 H new ATOM 0 HB2 LYS A 410 -2.145 -17.197 -2.563 1.00 20.00 H new ATOM 0 HB3 LYS A 410 -3.862 -17.082 -2.234 1.00 20.00 H new ATOM 0 HG2 LYS A 410 -4.217 -16.219 -4.588 1.00 20.00 H new ATOM 0 HG3 LYS A 410 -2.509 -16.451 -4.902 1.00 20.00 H new ATOM 0 HD2 LYS A 410 -2.744 -18.896 -4.410 1.00 20.00 H new ATOM 0 HD3 LYS A 410 -4.449 -18.669 -4.076 1.00 20.00 H new ATOM 0 HE2 LYS A 410 -4.786 -17.806 -6.413 1.00 20.00 H new ATOM 0 HE3 LYS A 410 -3.083 -18.053 -6.745 1.00 20.00 H new ATOM 0 HZ1 LYS A 410 -4.409 -19.893 -7.555 1.00 20.00 H new ATOM 0 HZ2 LYS A 410 -3.372 -20.425 -6.320 1.00 20.00 H new ATOM 0 HZ3 LYS A 410 -5.022 -20.185 -5.999 1.00 20.00 H new ATOM 98 N SER A 411 -1.812 -14.229 -0.457 1.00 20.00 N ATOM 99 CA SER A 411 -1.745 -13.708 0.895 1.00 20.00 C ATOM 100 C SER A 411 -2.517 -12.390 1.023 1.00 20.00 C ATOM 101 O SER A 411 -2.490 -11.552 0.120 1.00 20.00 O ATOM 102 CB SER A 411 -0.299 -13.531 1.337 1.00 20.00 C ATOM 103 OG SER A 411 -0.276 -13.198 2.713 1.00 20.00 O ATOM 0 H SER A 411 -1.002 -13.984 -1.027 1.00 20.00 H new ATOM 0 HA SER A 411 -2.217 -14.436 1.554 1.00 20.00 H new ATOM 0 HB2 SER A 411 0.263 -14.448 1.162 1.00 20.00 H new ATOM 0 HB3 SER A 411 0.181 -12.747 0.752 1.00 20.00 H new ATOM 0 HG SER A 411 0.645 -13.240 3.044 1.00 20.00 H new ATOM 109 N LEU A 412 -3.175 -12.177 2.165 1.00 20.00 N ATOM 110 CA LEU A 412 -3.949 -10.958 2.445 1.00 20.00 C ATOM 111 C LEU A 412 -3.078 -9.748 2.862 1.00 20.00 C ATOM 112 O LEU A 412 -3.574 -8.630 3.016 1.00 20.00 O ATOM 113 CB LEU A 412 -5.069 -11.290 3.451 1.00 20.00 C ATOM 114 CG LEU A 412 -6.300 -10.369 3.342 1.00 20.00 C ATOM 115 CD1 LEU A 412 -7.060 -10.591 2.030 1.00 20.00 C ATOM 116 CD2 LEU A 412 -7.262 -10.651 4.495 1.00 20.00 C ATOM 0 H LEU A 412 -3.188 -12.850 2.931 1.00 20.00 H new ATOM 0 HA LEU A 412 -4.410 -10.624 1.515 1.00 20.00 H new ATOM 0 HB2 LEU A 412 -5.385 -12.322 3.300 1.00 20.00 H new ATOM 0 HB3 LEU A 412 -4.667 -11.225 4.462 1.00 20.00 H new ATOM 0 HG LEU A 412 -5.938 -9.342 3.376 1.00 20.00 H new ATOM 0 HD11 LEU A 412 -7.921 -9.924 1.991 1.00 20.00 H new ATOM 0 HD12 LEU A 412 -6.400 -10.382 1.188 1.00 20.00 H new ATOM 0 HD13 LEU A 412 -7.400 -11.625 1.977 1.00 20.00 H new ATOM 0 HD21 LEU A 412 -8.130 -9.997 4.413 1.00 20.00 H new ATOM 0 HD22 LEU A 412 -7.586 -11.691 4.453 1.00 20.00 H new ATOM 0 HD23 LEU A 412 -6.757 -10.466 5.443 1.00 20.00 H new ATOM 128 N GLU A 413 -1.767 -9.951 2.965 1.00 20.00 N ATOM 129 CA GLU A 413 -0.744 -8.906 3.096 1.00 20.00 C ATOM 130 C GLU A 413 -0.407 -8.216 1.750 1.00 20.00 C ATOM 131 O GLU A 413 -0.875 -8.615 0.674 1.00 20.00 O ATOM 132 CB GLU A 413 0.501 -9.549 3.740 1.00 20.00 C ATOM 133 CG GLU A 413 0.614 -9.340 5.254 1.00 20.00 C ATOM 134 CD GLU A 413 -0.566 -9.948 6.039 1.00 20.00 C ATOM 135 OE1 GLU A 413 -0.557 -11.175 6.307 1.00 20.00 O ATOM 136 OE2 GLU A 413 -1.491 -9.195 6.428 1.00 20.00 O ATOM 0 H GLU A 413 -1.366 -10.889 2.960 1.00 20.00 H new ATOM 0 HA GLU A 413 -1.128 -8.106 3.729 1.00 20.00 H new ATOM 0 HB2 GLU A 413 0.489 -10.619 3.534 1.00 20.00 H new ATOM 0 HB3 GLU A 413 1.392 -9.142 3.262 1.00 20.00 H new ATOM 0 HG2 GLU A 413 1.545 -9.784 5.607 1.00 20.00 H new ATOM 0 HG3 GLU A 413 0.670 -8.272 5.464 1.00 20.00 H new ATOM 143 N GLN A 414 0.436 -7.178 1.807 1.00 20.00 N ATOM 144 CA GLN A 414 0.999 -6.493 0.635 1.00 20.00 C ATOM 145 C GLN A 414 2.523 -6.340 0.688 1.00 20.00 C ATOM 146 O GLN A 414 3.122 -6.166 1.752 1.00 20.00 O ATOM 147 CB GLN A 414 0.346 -5.119 0.402 1.00 20.00 C ATOM 148 CG GLN A 414 -1.053 -5.230 -0.217 1.00 20.00 C ATOM 149 CD GLN A 414 -1.424 -4.025 -1.093 1.00 20.00 C ATOM 150 OE1 GLN A 414 -1.084 -2.882 -0.835 1.00 20.00 O ATOM 151 NE2 GLN A 414 -2.160 -4.215 -2.168 1.00 20.00 N ATOM 0 H GLN A 414 0.754 -6.781 2.691 1.00 20.00 H new ATOM 0 HA GLN A 414 0.768 -7.145 -0.208 1.00 20.00 H new ATOM 0 HB2 GLN A 414 0.279 -4.587 1.351 1.00 20.00 H new ATOM 0 HB3 GLN A 414 0.983 -4.524 -0.252 1.00 20.00 H new ATOM 0 HG2 GLN A 414 -1.106 -6.138 -0.818 1.00 20.00 H new ATOM 0 HG3 GLN A 414 -1.789 -5.332 0.580 1.00 20.00 H new ATOM 0 HE21 GLN A 414 -2.465 -5.156 -2.418 1.00 20.00 H new ATOM 0 HE22 GLN A 414 -2.426 -3.421 -2.751 1.00 20.00 H new ATOM 160 N CYS A 415 3.128 -6.373 -0.501 1.00 20.00 N ATOM 161 CA CYS A 415 4.548 -6.153 -0.752 1.00 20.00 C ATOM 162 C CYS A 415 4.847 -4.655 -0.968 1.00 20.00 C ATOM 163 O CYS A 415 4.311 -4.029 -1.889 1.00 20.00 O ATOM 164 CB CYS A 415 4.885 -7.017 -1.949 1.00 20.00 C ATOM 165 SG CYS A 415 6.661 -7.459 -2.053 1.00 20.00 S ATOM 0 H CYS A 415 2.610 -6.564 -1.359 1.00 20.00 H new ATOM 0 HA CYS A 415 5.172 -6.432 0.097 1.00 20.00 H new ATOM 0 HB2 CYS A 415 4.293 -7.931 -1.906 1.00 20.00 H new ATOM 0 HB3 CYS A 415 4.595 -6.492 -2.859 1.00 20.00 H new ATOM 0 HG CYS A 415 7.133 -7.090 -3.207 1.00 20.00 H new ATOM 170 N LYS A 416 5.701 -4.073 -0.116 1.00 20.00 N ATOM 171 CA LYS A 416 5.857 -2.612 0.050 1.00 20.00 C ATOM 172 C LYS A 416 6.475 -1.842 -1.132 1.00 20.00 C ATOM 173 O LYS A 416 6.532 -0.613 -1.089 1.00 20.00 O ATOM 174 CB LYS A 416 6.566 -2.296 1.381 1.00 20.00 C ATOM 175 CG LYS A 416 7.986 -2.874 1.485 1.00 20.00 C ATOM 176 CD LYS A 416 8.683 -2.351 2.747 1.00 20.00 C ATOM 177 CE LYS A 416 9.988 -3.111 3.003 1.00 20.00 C ATOM 178 NZ LYS A 416 10.692 -2.591 4.203 1.00 20.00 N ATOM 0 H LYS A 416 6.318 -4.611 0.492 1.00 20.00 H new ATOM 0 HA LYS A 416 4.836 -2.230 0.071 1.00 20.00 H new ATOM 0 HB2 LYS A 416 6.615 -1.214 1.507 1.00 20.00 H new ATOM 0 HB3 LYS A 416 5.965 -2.686 2.203 1.00 20.00 H new ATOM 0 HG2 LYS A 416 7.942 -3.963 1.511 1.00 20.00 H new ATOM 0 HG3 LYS A 416 8.563 -2.599 0.602 1.00 20.00 H new ATOM 0 HD2 LYS A 416 8.892 -1.287 2.638 1.00 20.00 H new ATOM 0 HD3 LYS A 416 8.020 -2.459 3.605 1.00 20.00 H new ATOM 0 HE2 LYS A 416 9.773 -4.171 3.136 1.00 20.00 H new ATOM 0 HE3 LYS A 416 10.638 -3.025 2.132 1.00 20.00 H new ATOM 0 HZ1 LYS A 416 11.410 -3.278 4.509 1.00 20.00 H new ATOM 0 HZ2 LYS A 416 11.153 -1.688 3.971 1.00 20.00 H new ATOM 0 HZ3 LYS A 416 10.006 -2.442 4.971 1.00 20.00 H new ATOM 192 N PHE A 417 6.909 -2.526 -2.192 1.00 20.00 N ATOM 193 CA PHE A 417 7.496 -1.900 -3.383 1.00 20.00 C ATOM 194 C PHE A 417 6.528 -1.787 -4.583 1.00 20.00 C ATOM 195 O PHE A 417 6.841 -1.088 -5.547 1.00 20.00 O ATOM 196 CB PHE A 417 8.807 -2.621 -3.718 1.00 20.00 C ATOM 197 CG PHE A 417 9.797 -2.713 -2.564 1.00 20.00 C ATOM 198 CD1 PHE A 417 10.228 -1.551 -1.892 1.00 20.00 C ATOM 199 CD2 PHE A 417 10.279 -3.970 -2.150 1.00 20.00 C ATOM 200 CE1 PHE A 417 11.139 -1.645 -0.824 1.00 20.00 C ATOM 201 CE2 PHE A 417 11.190 -4.065 -1.082 1.00 20.00 C ATOM 202 CZ PHE A 417 11.623 -2.902 -0.421 1.00 20.00 C ATOM 0 H PHE A 417 6.863 -3.543 -2.250 1.00 20.00 H new ATOM 0 HA PHE A 417 7.712 -0.857 -3.151 1.00 20.00 H new ATOM 0 HB2 PHE A 417 8.574 -3.629 -4.060 1.00 20.00 H new ATOM 0 HB3 PHE A 417 9.287 -2.105 -4.550 1.00 20.00 H new ATOM 0 HD1 PHE A 417 9.857 -0.584 -2.199 1.00 20.00 H new ATOM 0 HD2 PHE A 417 9.948 -4.865 -2.655 1.00 20.00 H new ATOM 0 HE1 PHE A 417 11.467 -0.751 -0.314 1.00 20.00 H new ATOM 0 HE2 PHE A 417 11.557 -5.032 -0.770 1.00 20.00 H new ATOM 0 HZ PHE A 417 12.326 -2.974 0.395 1.00 20.00 H new ATOM 212 N GLY A 418 5.337 -2.403 -4.529 1.00 20.00 N ATOM 213 CA GLY A 418 4.266 -2.197 -5.520 1.00 20.00 C ATOM 214 C GLY A 418 4.672 -2.538 -6.963 1.00 20.00 C ATOM 215 O GLY A 418 5.277 -3.579 -7.216 1.00 20.00 O ATOM 0 H GLY A 418 5.087 -3.063 -3.792 1.00 20.00 H new ATOM 0 HA2 GLY A 418 3.406 -2.807 -5.242 1.00 20.00 H new ATOM 0 HA3 GLY A 418 3.945 -1.156 -5.481 1.00 20.00 H new ATOM 219 N THR A 419 4.370 -1.653 -7.918 1.00 20.00 N ATOM 220 CA THR A 419 4.792 -1.780 -9.333 1.00 20.00 C ATOM 221 C THR A 419 6.310 -1.675 -9.541 1.00 20.00 C ATOM 222 O THR A 419 6.825 -2.158 -10.551 1.00 20.00 O ATOM 223 CB THR A 419 4.120 -0.715 -10.215 1.00 20.00 C ATOM 224 OG1 THR A 419 4.290 0.568 -9.645 1.00 20.00 O ATOM 225 CG2 THR A 419 2.621 -0.963 -10.369 1.00 20.00 C ATOM 0 H THR A 419 3.819 -0.814 -7.737 1.00 20.00 H new ATOM 0 HA THR A 419 4.477 -2.782 -9.624 1.00 20.00 H new ATOM 0 HB THR A 419 4.594 -0.773 -11.195 1.00 20.00 H new ATOM 0 HG1 THR A 419 3.860 1.239 -10.215 1.00 20.00 H new ATOM 0 HG21 THR A 419 2.187 -0.187 -11.000 1.00 20.00 H new ATOM 0 HG22 THR A 419 2.459 -1.938 -10.829 1.00 20.00 H new ATOM 0 HG23 THR A 419 2.146 -0.941 -9.388 1.00 20.00 H new ATOM 233 N HIS A 420 7.044 -1.091 -8.586 1.00 20.00 N ATOM 234 CA HIS A 420 8.513 -0.998 -8.582 1.00 20.00 C ATOM 235 C HIS A 420 9.193 -2.243 -7.970 1.00 20.00 C ATOM 236 O HIS A 420 10.423 -2.320 -7.930 1.00 20.00 O ATOM 237 CB HIS A 420 8.916 0.306 -7.869 1.00 20.00 C ATOM 238 CG HIS A 420 10.361 0.702 -8.059 1.00 20.00 C ATOM 239 ND1 HIS A 420 10.904 1.264 -9.220 1.00 20.00 N ATOM 240 CD2 HIS A 420 11.347 0.588 -7.122 1.00 20.00 C ATOM 241 CE1 HIS A 420 12.207 1.467 -8.956 1.00 20.00 C ATOM 242 NE2 HIS A 420 12.499 1.070 -7.704 1.00 20.00 N ATOM 0 H HIS A 420 6.620 -0.655 -7.767 1.00 20.00 H new ATOM 0 HA HIS A 420 8.869 -0.971 -9.612 1.00 20.00 H new ATOM 0 HB2 HIS A 420 8.280 1.114 -8.230 1.00 20.00 H new ATOM 0 HB3 HIS A 420 8.719 0.198 -6.802 1.00 20.00 H new ATOM 0 HD2 HIS A 420 11.244 0.197 -6.121 1.00 20.00 H new ATOM 0 HE1 HIS A 420 12.918 1.889 -9.651 1.00 20.00 H new ATOM 0 HE2 HIS A 420 13.417 1.118 -7.261 1.00 20.00 H new ATOM 250 N CYS A 421 8.415 -3.227 -7.501 1.00 20.00 N ATOM 251 CA CYS A 421 8.925 -4.433 -6.860 1.00 20.00 C ATOM 252 C CYS A 421 9.756 -5.315 -7.814 1.00 20.00 C ATOM 253 O CYS A 421 9.381 -5.543 -8.971 1.00 20.00 O ATOM 254 CB CYS A 421 7.771 -5.218 -6.250 1.00 20.00 C ATOM 255 SG CYS A 421 8.562 -6.566 -5.315 1.00 20.00 S ATOM 0 H CYS A 421 7.397 -3.201 -7.560 1.00 20.00 H new ATOM 0 HA CYS A 421 9.608 -4.121 -6.070 1.00 20.00 H new ATOM 0 HB2 CYS A 421 7.166 -4.588 -5.598 1.00 20.00 H new ATOM 0 HB3 CYS A 421 7.108 -5.609 -7.022 1.00 20.00 H new ATOM 0 HG CYS A 421 7.979 -7.692 -5.600 1.00 20.00 H new ATOM 260 N THR A 422 10.858 -5.859 -7.296 1.00 20.00 N ATOM 261 CA THR A 422 11.880 -6.590 -8.053 1.00 20.00 C ATOM 262 C THR A 422 11.885 -8.110 -7.864 1.00 20.00 C ATOM 263 O THR A 422 12.587 -8.783 -8.626 1.00 20.00 O ATOM 264 CB THR A 422 13.277 -6.014 -7.762 1.00 20.00 C ATOM 265 OG1 THR A 422 13.561 -6.096 -6.378 1.00 20.00 O ATOM 266 CG2 THR A 422 13.384 -4.544 -8.177 1.00 20.00 C ATOM 0 H THR A 422 11.073 -5.801 -6.301 1.00 20.00 H new ATOM 0 HA THR A 422 11.610 -6.439 -9.098 1.00 20.00 H new ATOM 0 HB THR A 422 13.989 -6.603 -8.340 1.00 20.00 H new ATOM 0 HG1 THR A 422 14.453 -5.728 -6.205 1.00 20.00 H new ATOM 0 HG21 THR A 422 14.385 -4.175 -7.955 1.00 20.00 H new ATOM 0 HG22 THR A 422 13.193 -4.453 -9.246 1.00 20.00 H new ATOM 0 HG23 THR A 422 12.650 -3.956 -7.626 1.00 20.00 H new ATOM 274 N ASN A 423 11.119 -8.701 -6.930 1.00 20.00 N ATOM 275 CA ASN A 423 11.103 -10.155 -6.758 1.00 20.00 C ATOM 276 C ASN A 423 10.025 -10.812 -7.647 1.00 20.00 C ATOM 277 O ASN A 423 8.971 -10.231 -7.926 1.00 20.00 O ATOM 278 CB ASN A 423 11.017 -10.468 -5.255 1.00 20.00 C ATOM 279 CG ASN A 423 10.890 -11.952 -4.974 1.00 20.00 C ATOM 280 OD1 ASN A 423 11.846 -12.709 -5.053 1.00 20.00 O ATOM 281 ND2 ASN A 423 9.701 -12.428 -4.694 1.00 20.00 N ATOM 0 H ASN A 423 10.509 -8.194 -6.289 1.00 20.00 H new ATOM 0 HA ASN A 423 12.029 -10.608 -7.112 1.00 20.00 H new ATOM 0 HB2 ASN A 423 11.906 -10.083 -4.756 1.00 20.00 H new ATOM 0 HB3 ASN A 423 10.160 -9.947 -4.828 1.00 20.00 H new ATOM 0 HD21 ASN A 423 9.575 -13.429 -4.542 1.00 20.00 H new ATOM 0 HD22 ASN A 423 8.902 -11.798 -4.628 1.00 20.00 H new ATOM 288 N LYS A 424 10.322 -12.019 -8.148 1.00 20.00 N ATOM 289 CA LYS A 424 9.522 -12.705 -9.184 1.00 20.00 C ATOM 290 C LYS A 424 8.435 -13.638 -8.638 1.00 20.00 C ATOM 291 O LYS A 424 7.631 -14.152 -9.417 1.00 20.00 O ATOM 292 CB LYS A 424 10.462 -13.433 -10.170 1.00 20.00 C ATOM 293 CG LYS A 424 11.611 -12.579 -10.747 1.00 20.00 C ATOM 294 CD LYS A 424 11.140 -11.309 -11.478 1.00 20.00 C ATOM 295 CE LYS A 424 12.312 -10.449 -11.976 1.00 20.00 C ATOM 296 NZ LYS A 424 13.076 -11.099 -13.076 1.00 20.00 N ATOM 0 H LYS A 424 11.134 -12.557 -7.844 1.00 20.00 H new ATOM 0 HA LYS A 424 8.967 -11.929 -9.712 1.00 20.00 H new ATOM 0 HB2 LYS A 424 10.893 -14.296 -9.663 1.00 20.00 H new ATOM 0 HB3 LYS A 424 9.865 -13.815 -10.998 1.00 20.00 H new ATOM 0 HG2 LYS A 424 12.280 -12.292 -9.935 1.00 20.00 H new ATOM 0 HG3 LYS A 424 12.192 -13.189 -11.438 1.00 20.00 H new ATOM 0 HD2 LYS A 424 10.515 -11.592 -12.325 1.00 20.00 H new ATOM 0 HD3 LYS A 424 10.518 -10.717 -10.807 1.00 20.00 H new ATOM 0 HE2 LYS A 424 11.931 -9.488 -12.323 1.00 20.00 H new ATOM 0 HE3 LYS A 424 12.985 -10.243 -11.144 1.00 20.00 H new ATOM 0 HZ1 LYS A 424 13.854 -10.476 -13.373 1.00 20.00 H new ATOM 0 HZ2 LYS A 424 13.465 -12.003 -12.741 1.00 20.00 H new ATOM 0 HZ3 LYS A 424 12.443 -11.272 -13.883 1.00 20.00 H new ATOM 310 N ARG A 425 8.415 -13.884 -7.323 1.00 20.00 N ATOM 311 CA ARG A 425 7.562 -14.891 -6.648 1.00 20.00 C ATOM 312 C ARG A 425 6.826 -14.382 -5.393 1.00 20.00 C ATOM 313 O ARG A 425 6.327 -15.196 -4.615 1.00 20.00 O ATOM 314 CB ARG A 425 8.409 -16.151 -6.351 1.00 20.00 C ATOM 315 CG ARG A 425 9.003 -16.846 -7.592 1.00 20.00 C ATOM 316 CD ARG A 425 7.919 -17.394 -8.530 1.00 20.00 C ATOM 317 NE ARG A 425 8.505 -18.021 -9.731 1.00 20.00 N ATOM 318 CZ ARG A 425 8.596 -17.506 -10.947 1.00 20.00 C ATOM 319 NH1 ARG A 425 8.204 -16.297 -11.237 1.00 20.00 N ATOM 320 NH2 ARG A 425 9.098 -18.215 -11.918 1.00 20.00 N ATOM 0 H ARG A 425 9.010 -13.374 -6.670 1.00 20.00 H new ATOM 0 HA ARG A 425 6.754 -15.135 -7.338 1.00 20.00 H new ATOM 0 HB2 ARG A 425 9.225 -15.873 -5.684 1.00 20.00 H new ATOM 0 HB3 ARG A 425 7.789 -16.869 -5.814 1.00 20.00 H new ATOM 0 HG2 ARG A 425 9.628 -16.139 -8.137 1.00 20.00 H new ATOM 0 HG3 ARG A 425 9.650 -17.663 -7.273 1.00 20.00 H new ATOM 0 HD2 ARG A 425 7.312 -18.125 -7.997 1.00 20.00 H new ATOM 0 HD3 ARG A 425 7.253 -16.585 -8.830 1.00 20.00 H new ATOM 0 HE ARG A 425 8.884 -18.960 -9.610 1.00 20.00 H new ATOM 0 HH11 ARG A 425 7.806 -15.702 -10.511 1.00 20.00 H new ATOM 0 HH12 ARG A 425 8.296 -15.946 -12.190 1.00 20.00 H new ATOM 0 HH21 ARG A 425 9.421 -19.166 -11.741 1.00 20.00 H new ATOM 0 HH22 ARG A 425 9.168 -17.819 -12.855 1.00 20.00 H new ATOM 334 N CYS A 426 6.755 -13.064 -5.176 1.00 20.00 N ATOM 335 CA CYS A 426 6.150 -12.502 -3.974 1.00 20.00 C ATOM 336 C CYS A 426 4.613 -12.618 -3.988 1.00 20.00 C ATOM 337 O CYS A 426 3.924 -12.104 -4.869 1.00 20.00 O ATOM 338 CB CYS A 426 6.798 -11.185 -3.545 1.00 20.00 C ATOM 339 SG CYS A 426 7.474 -10.207 -4.881 1.00 20.00 S ATOM 0 H CYS A 426 7.114 -12.365 -5.827 1.00 20.00 H new ATOM 0 HA CYS A 426 6.397 -13.125 -3.114 1.00 20.00 H new ATOM 0 HB2 CYS A 426 6.056 -10.587 -3.016 1.00 20.00 H new ATOM 0 HB3 CYS A 426 7.596 -11.404 -2.835 1.00 20.00 H new ATOM 0 HG CYS A 426 6.800 -9.101 -4.993 1.00 20.00 H new ATOM 344 N LYS A 427 4.093 -13.353 -2.996 1.00 20.00 N ATOM 345 CA LYS A 427 2.702 -13.833 -2.911 1.00 20.00 C ATOM 346 C LYS A 427 1.766 -12.928 -2.119 1.00 20.00 C ATOM 347 O LYS A 427 0.752 -13.375 -1.589 1.00 20.00 O ATOM 348 CB LYS A 427 2.667 -15.315 -2.486 1.00 20.00 C ATOM 349 CG LYS A 427 3.259 -15.573 -1.087 1.00 20.00 C ATOM 350 CD LYS A 427 3.073 -17.045 -0.683 1.00 20.00 C ATOM 351 CE LYS A 427 3.859 -17.443 0.577 1.00 20.00 C ATOM 352 NZ LYS A 427 3.410 -16.721 1.798 1.00 20.00 N ATOM 0 H LYS A 427 4.653 -13.643 -2.194 1.00 20.00 H new ATOM 0 HA LYS A 427 2.284 -13.776 -3.916 1.00 20.00 H new ATOM 0 HB2 LYS A 427 1.635 -15.665 -2.504 1.00 20.00 H new ATOM 0 HB3 LYS A 427 3.217 -15.907 -3.218 1.00 20.00 H new ATOM 0 HG2 LYS A 427 4.319 -15.320 -1.083 1.00 20.00 H new ATOM 0 HG3 LYS A 427 2.774 -14.926 -0.356 1.00 20.00 H new ATOM 0 HD2 LYS A 427 2.013 -17.235 -0.515 1.00 20.00 H new ATOM 0 HD3 LYS A 427 3.384 -17.682 -1.511 1.00 20.00 H new ATOM 0 HE2 LYS A 427 3.756 -18.516 0.738 1.00 20.00 H new ATOM 0 HE3 LYS A 427 4.919 -17.245 0.414 1.00 20.00 H new ATOM 0 HZ1 LYS A 427 3.530 -17.335 2.628 1.00 20.00 H new ATOM 0 HZ2 LYS A 427 3.979 -15.859 1.920 1.00 20.00 H new ATOM 0 HZ3 LYS A 427 2.407 -16.463 1.700 1.00 20.00 H new ATOM 366 N TYR A 428 2.089 -11.645 -2.092 1.00 20.00 N ATOM 367 CA TYR A 428 1.405 -10.578 -1.377 1.00 20.00 C ATOM 368 C TYR A 428 0.900 -9.619 -2.449 1.00 20.00 C ATOM 369 O TYR A 428 1.531 -9.525 -3.507 1.00 20.00 O ATOM 370 CB TYR A 428 2.428 -9.928 -0.435 1.00 20.00 C ATOM 371 CG TYR A 428 3.239 -10.952 0.336 1.00 20.00 C ATOM 372 CD1 TYR A 428 4.429 -11.462 -0.222 1.00 20.00 C ATOM 373 CD2 TYR A 428 2.717 -11.522 1.508 1.00 20.00 C ATOM 374 CE1 TYR A 428 5.047 -12.590 0.343 1.00 20.00 C ATOM 375 CE2 TYR A 428 3.368 -12.609 2.120 1.00 20.00 C ATOM 376 CZ TYR A 428 4.524 -13.161 1.525 1.00 20.00 C ATOM 377 OH TYR A 428 5.100 -14.267 2.069 1.00 20.00 O ATOM 0 H TYR A 428 2.897 -11.296 -2.608 1.00 20.00 H new ATOM 0 HA TYR A 428 0.563 -10.912 -0.770 1.00 20.00 H new ATOM 0 HB2 TYR A 428 3.102 -9.297 -1.015 1.00 20.00 H new ATOM 0 HB3 TYR A 428 1.908 -9.277 0.268 1.00 20.00 H new ATOM 0 HD1 TYR A 428 4.867 -10.984 -1.086 1.00 20.00 H new ATOM 0 HD2 TYR A 428 1.811 -11.124 1.942 1.00 20.00 H new ATOM 0 HE1 TYR A 428 5.920 -13.020 -0.125 1.00 20.00 H new ATOM 0 HE2 TYR A 428 2.985 -13.020 3.042 1.00 20.00 H new ATOM 0 HH TYR A 428 4.751 -14.406 2.974 1.00 20.00 H new ATOM 387 N ARG A 429 -0.213 -8.912 -2.230 1.00 20.00 N ATOM 388 CA ARG A 429 -0.708 -8.035 -3.306 1.00 20.00 C ATOM 389 C ARG A 429 0.261 -6.873 -3.497 1.00 20.00 C ATOM 390 O ARG A 429 0.730 -6.272 -2.532 1.00 20.00 O ATOM 391 CB ARG A 429 -2.178 -7.601 -3.161 1.00 20.00 C ATOM 392 CG ARG A 429 -3.176 -8.711 -3.527 1.00 20.00 C ATOM 393 CD ARG A 429 -3.663 -9.511 -2.315 1.00 20.00 C ATOM 394 NE ARG A 429 -4.779 -8.828 -1.625 1.00 20.00 N ATOM 395 CZ ARG A 429 -4.783 -8.270 -0.433 1.00 20.00 C ATOM 396 NH1 ARG A 429 -3.708 -8.118 0.279 1.00 20.00 N ATOM 397 NH2 ARG A 429 -5.904 -7.842 0.061 1.00 20.00 N ATOM 0 H ARG A 429 -0.764 -8.921 -1.372 1.00 20.00 H new ATOM 0 HA ARG A 429 -0.730 -8.624 -4.223 1.00 20.00 H new ATOM 0 HB2 ARG A 429 -2.357 -7.285 -2.133 1.00 20.00 H new ATOM 0 HB3 ARG A 429 -2.359 -6.735 -3.797 1.00 20.00 H new ATOM 0 HG2 ARG A 429 -4.035 -8.266 -4.029 1.00 20.00 H new ATOM 0 HG3 ARG A 429 -2.708 -9.391 -4.238 1.00 20.00 H new ATOM 0 HD2 ARG A 429 -3.985 -10.501 -2.637 1.00 20.00 H new ATOM 0 HD3 ARG A 429 -2.837 -9.656 -1.618 1.00 20.00 H new ATOM 0 HE ARG A 429 -5.659 -8.784 -2.139 1.00 20.00 H new ATOM 0 HH11 ARG A 429 -2.809 -8.438 -0.081 1.00 20.00 H new ATOM 0 HH12 ARG A 429 -3.763 -7.679 1.198 1.00 20.00 H new ATOM 0 HH21 ARG A 429 -6.767 -7.940 -0.473 1.00 20.00 H new ATOM 0 HH22 ARG A 429 -5.922 -7.408 0.984 1.00 20.00 H new ATOM 411 N HIS A 430 0.560 -6.557 -4.742 1.00 20.00 N ATOM 412 CA HIS A 430 1.315 -5.376 -5.120 1.00 20.00 C ATOM 413 C HIS A 430 0.314 -4.374 -5.708 1.00 20.00 C ATOM 414 O HIS A 430 -0.359 -4.691 -6.690 1.00 20.00 O ATOM 415 CB HIS A 430 2.381 -5.791 -6.139 1.00 20.00 C ATOM 416 CG HIS A 430 3.376 -6.835 -5.685 1.00 20.00 C ATOM 417 ND1 HIS A 430 3.228 -8.216 -5.684 1.00 20.00 N ATOM 418 CD2 HIS A 430 4.626 -6.569 -5.219 1.00 20.00 C ATOM 419 CE1 HIS A 430 4.365 -8.783 -5.211 1.00 20.00 C ATOM 420 NE2 HIS A 430 5.252 -7.792 -5.003 1.00 20.00 N ATOM 0 H HIS A 430 0.278 -7.128 -5.539 1.00 20.00 H new ATOM 0 HA HIS A 430 1.826 -4.914 -4.275 1.00 20.00 H new ATOM 0 HB2 HIS A 430 1.875 -6.166 -7.029 1.00 20.00 H new ATOM 0 HB3 HIS A 430 2.933 -4.900 -6.438 1.00 20.00 H new ATOM 0 HD1 HIS A 430 2.397 -8.722 -5.990 1.00 20.00 H new ATOM 0 HD2 HIS A 430 5.052 -5.591 -5.049 1.00 20.00 H new ATOM 0 HE1 HIS A 430 4.529 -9.836 -5.034 1.00 20.00 H new ATOM 428 N ALA A 431 0.181 -3.186 -5.114 1.00 20.00 N ATOM 429 CA ALA A 431 -0.722 -2.149 -5.614 1.00 20.00 C ATOM 430 C ALA A 431 -0.363 -1.730 -7.054 1.00 20.00 C ATOM 431 O ALA A 431 0.710 -1.170 -7.294 1.00 20.00 O ATOM 432 CB ALA A 431 -0.676 -0.962 -4.647 1.00 20.00 C ATOM 0 H ALA A 431 0.695 -2.917 -4.275 1.00 20.00 H new ATOM 0 HA ALA A 431 -1.739 -2.539 -5.659 1.00 20.00 H new ATOM 0 HB1 ALA A 431 -1.343 -0.177 -5.003 1.00 20.00 H new ATOM 0 HB2 ALA A 431 -0.994 -1.287 -3.656 1.00 20.00 H new ATOM 0 HB3 ALA A 431 0.342 -0.576 -4.593 1.00 20.00 H new ATOM 438 N ARG A 432 -1.265 -2.007 -8.007 1.00 20.00 N ATOM 439 CA ARG A 432 -1.158 -1.634 -9.432 1.00 20.00 C ATOM 440 C ARG A 432 -1.943 -0.356 -9.766 1.00 20.00 C ATOM 441 O ARG A 432 -1.680 0.272 -10.792 1.00 20.00 O ATOM 442 CB ARG A 432 -1.637 -2.789 -10.344 1.00 20.00 C ATOM 443 CG ARG A 432 -1.223 -4.221 -9.960 1.00 20.00 C ATOM 444 CD ARG A 432 0.288 -4.484 -9.919 1.00 20.00 C ATOM 445 NE ARG A 432 0.543 -5.809 -9.319 1.00 20.00 N ATOM 446 CZ ARG A 432 1.461 -6.705 -9.630 1.00 20.00 C ATOM 447 NH1 ARG A 432 2.333 -6.539 -10.583 1.00 20.00 N ATOM 448 NH2 ARG A 432 1.540 -7.809 -8.958 1.00 20.00 N ATOM 0 H ARG A 432 -2.124 -2.517 -7.802 1.00 20.00 H new ATOM 0 HA ARG A 432 -0.103 -1.436 -9.619 1.00 20.00 H new ATOM 0 HB2 ARG A 432 -2.726 -2.754 -10.386 1.00 20.00 H new ATOM 0 HB3 ARG A 432 -1.273 -2.593 -11.353 1.00 20.00 H new ATOM 0 HG2 ARG A 432 -1.641 -4.451 -8.980 1.00 20.00 H new ATOM 0 HG3 ARG A 432 -1.675 -4.914 -10.669 1.00 20.00 H new ATOM 0 HD2 ARG A 432 0.702 -4.444 -10.927 1.00 20.00 H new ATOM 0 HD3 ARG A 432 0.787 -3.708 -9.338 1.00 20.00 H new ATOM 0 HE ARG A 432 -0.080 -6.069 -8.554 1.00 20.00 H new ATOM 0 HH11 ARG A 432 2.329 -5.681 -11.134 1.00 20.00 H new ATOM 0 HH12 ARG A 432 3.020 -7.267 -10.778 1.00 20.00 H new ATOM 0 HH21 ARG A 432 0.893 -7.986 -8.189 1.00 20.00 H new ATOM 0 HH22 ARG A 432 2.249 -8.502 -9.197 1.00 20.00 H new ATOM 462 N SER A 433 -2.913 0.011 -8.923 1.00 20.00 N ATOM 463 CA SER A 433 -3.871 1.103 -9.136 1.00 20.00 C ATOM 464 C SER A 433 -3.556 2.332 -8.270 1.00 20.00 C ATOM 465 O SER A 433 -2.970 2.224 -7.190 1.00 20.00 O ATOM 466 CB SER A 433 -5.286 0.581 -8.873 1.00 20.00 C ATOM 467 OG SER A 433 -6.256 1.527 -9.287 1.00 20.00 O ATOM 0 H SER A 433 -3.059 -0.466 -8.033 1.00 20.00 H new ATOM 0 HA SER A 433 -3.793 1.437 -10.170 1.00 20.00 H new ATOM 0 HB2 SER A 433 -5.437 -0.358 -9.405 1.00 20.00 H new ATOM 0 HB3 SER A 433 -5.409 0.369 -7.811 1.00 20.00 H new ATOM 0 HG SER A 433 -6.951 1.605 -8.601 1.00 20.00 H new ATOM 473 N HIS A 434 -3.957 3.515 -8.740 1.00 20.00 N ATOM 474 CA HIS A 434 -3.619 4.831 -8.176 1.00 20.00 C ATOM 475 C HIS A 434 -4.501 5.246 -6.976 1.00 20.00 C ATOM 476 O HIS A 434 -4.793 6.430 -6.785 1.00 20.00 O ATOM 477 CB HIS A 434 -3.627 5.874 -9.312 1.00 20.00 C ATOM 478 CG HIS A 434 -5.017 6.281 -9.753 1.00 20.00 C ATOM 479 ND1 HIS A 434 -6.044 5.411 -10.134 1.00 20.00 N ATOM 480 CD2 HIS A 434 -5.517 7.550 -9.690 1.00 20.00 C ATOM 481 CE1 HIS A 434 -7.142 6.174 -10.268 1.00 20.00 C ATOM 482 NE2 HIS A 434 -6.852 7.463 -10.023 1.00 20.00 N ATOM 0 H HIS A 434 -4.555 3.589 -9.563 1.00 20.00 H new ATOM 0 HA HIS A 434 -2.618 4.769 -7.749 1.00 20.00 H new ATOM 0 HB2 HIS A 434 -3.085 6.761 -8.983 1.00 20.00 H new ATOM 0 HB3 HIS A 434 -3.087 5.470 -10.168 1.00 20.00 H new ATOM 0 HD2 HIS A 434 -4.973 8.446 -9.430 1.00 20.00 H new ATOM 0 HE1 HIS A 434 -8.121 5.803 -10.535 1.00 20.00 H new ATOM 0 HE2 HIS A 434 -7.507 8.243 -10.075 1.00 20.00 H new ATOM 490 N ILE A 435 -4.942 4.277 -6.163 1.00 20.00 N ATOM 491 CA ILE A 435 -5.870 4.527 -5.043 1.00 20.00 C ATOM 492 C ILE A 435 -5.618 3.569 -3.875 1.00 20.00 C ATOM 493 O ILE A 435 -5.148 2.450 -4.075 1.00 20.00 O ATOM 494 CB ILE A 435 -7.371 4.467 -5.458 1.00 20.00 C ATOM 495 CG1 ILE A 435 -7.653 4.537 -6.979 1.00 20.00 C ATOM 496 CG2 ILE A 435 -8.118 5.604 -4.735 1.00 20.00 C ATOM 497 CD1 ILE A 435 -9.142 4.482 -7.336 1.00 20.00 C ATOM 0 H ILE A 435 -4.669 3.299 -6.259 1.00 20.00 H new ATOM 0 HA ILE A 435 -5.662 5.548 -4.722 1.00 20.00 H new ATOM 0 HB ILE A 435 -7.727 3.480 -5.162 1.00 20.00 H new ATOM 0 HG12 ILE A 435 -7.228 5.459 -7.376 1.00 20.00 H new ATOM 0 HG13 ILE A 435 -7.140 3.711 -7.472 1.00 20.00 H new ATOM 0 HG21 ILE A 435 -9.172 5.580 -5.012 1.00 20.00 H new ATOM 0 HG22 ILE A 435 -8.023 5.474 -3.657 1.00 20.00 H new ATOM 0 HG23 ILE A 435 -7.688 6.563 -5.024 1.00 20.00 H new ATOM 0 HD11 ILE A 435 -9.259 4.536 -8.418 1.00 20.00 H new ATOM 0 HD12 ILE A 435 -9.569 3.548 -6.971 1.00 20.00 H new ATOM 0 HD13 ILE A 435 -9.658 5.323 -6.873 1.00 20.00 H new ATOM 509 N MET A 436 -5.942 4.007 -2.656 1.00 20.00 N ATOM 510 CA MET A 436 -6.010 3.176 -1.446 1.00 20.00 C ATOM 511 C MET A 436 -7.461 2.745 -1.173 1.00 20.00 C ATOM 512 O MET A 436 -8.410 3.485 -1.449 1.00 20.00 O ATOM 513 CB MET A 436 -5.349 3.909 -0.267 1.00 20.00 C ATOM 514 CG MET A 436 -5.366 3.096 1.037 1.00 20.00 C ATOM 515 SD MET A 436 -4.143 3.585 2.285 1.00 20.00 S ATOM 516 CE MET A 436 -2.642 2.863 1.557 1.00 20.00 C ATOM 0 H MET A 436 -6.173 4.984 -2.475 1.00 20.00 H new ATOM 0 HA MET A 436 -5.445 2.255 -1.592 1.00 20.00 H new ATOM 0 HB2 MET A 436 -4.317 4.145 -0.527 1.00 20.00 H new ATOM 0 HB3 MET A 436 -5.862 4.857 -0.103 1.00 20.00 H new ATOM 0 HG2 MET A 436 -6.359 3.173 1.479 1.00 20.00 H new ATOM 0 HG3 MET A 436 -5.207 2.046 0.791 1.00 20.00 H new ATOM 0 HE1 MET A 436 -2.063 2.365 2.335 1.00 20.00 H new ATOM 0 HE2 MET A 436 -2.921 2.138 0.792 1.00 20.00 H new ATOM 0 HE3 MET A 436 -2.040 3.652 1.106 1.00 20.00 H new ATOM 526 N CYS A 437 -7.620 1.523 -0.667 1.00 20.00 N ATOM 527 CA CYS A 437 -8.890 0.805 -0.675 1.00 20.00 C ATOM 528 C CYS A 437 -9.913 1.282 0.377 1.00 20.00 C ATOM 529 O CYS A 437 -9.550 1.760 1.458 1.00 20.00 O ATOM 530 CB CYS A 437 -8.590 -0.679 -0.555 1.00 20.00 C ATOM 531 SG CYS A 437 -10.034 -1.633 -1.129 1.00 20.00 S ATOM 0 H CYS A 437 -6.859 0.998 -0.235 1.00 20.00 H new ATOM 0 HA CYS A 437 -9.389 1.022 -1.619 1.00 20.00 H new ATOM 0 HB2 CYS A 437 -7.712 -0.934 -1.149 1.00 20.00 H new ATOM 0 HB3 CYS A 437 -8.360 -0.933 0.480 1.00 20.00 H new ATOM 0 HG CYS A 437 -9.989 -2.832 -0.628 1.00 20.00 H new ATOM 536 N ARG A 438 -11.203 1.081 0.075 1.00 20.00 N ATOM 537 CA ARG A 438 -12.356 1.457 0.918 1.00 20.00 C ATOM 538 C ARG A 438 -12.375 0.795 2.292 1.00 20.00 C ATOM 539 O ARG A 438 -12.868 1.385 3.253 1.00 20.00 O ATOM 540 CB ARG A 438 -13.672 1.197 0.151 1.00 20.00 C ATOM 541 CG ARG A 438 -14.071 -0.289 0.173 1.00 20.00 C ATOM 542 CD ARG A 438 -15.352 -0.610 -0.599 1.00 20.00 C ATOM 543 NE ARG A 438 -15.787 -1.975 -0.257 1.00 20.00 N ATOM 544 CZ ARG A 438 -16.761 -2.691 -0.771 1.00 20.00 C ATOM 545 NH1 ARG A 438 -17.508 -2.275 -1.756 1.00 20.00 N ATOM 546 NH2 ARG A 438 -16.983 -3.863 -0.258 1.00 20.00 N ATOM 0 H ARG A 438 -11.488 0.635 -0.797 1.00 20.00 H new ATOM 0 HA ARG A 438 -12.252 2.522 1.125 1.00 20.00 H new ATOM 0 HB2 ARG A 438 -14.471 1.793 0.591 1.00 20.00 H new ATOM 0 HB3 ARG A 438 -13.560 1.527 -0.882 1.00 20.00 H new ATOM 0 HG2 ARG A 438 -13.254 -0.878 -0.242 1.00 20.00 H new ATOM 0 HG3 ARG A 438 -14.197 -0.604 1.209 1.00 20.00 H new ATOM 0 HD2 ARG A 438 -16.133 0.108 -0.348 1.00 20.00 H new ATOM 0 HD3 ARG A 438 -15.176 -0.528 -1.672 1.00 20.00 H new ATOM 0 HE ARG A 438 -15.256 -2.430 0.486 1.00 20.00 H new ATOM 0 HH11 ARG A 438 -17.348 -1.354 -2.164 1.00 20.00 H new ATOM 0 HH12 ARG A 438 -18.252 -2.871 -2.119 1.00 20.00 H new ATOM 0 HH21 ARG A 438 -16.410 -4.198 0.517 1.00 20.00 H new ATOM 0 HH22 ARG A 438 -17.731 -4.449 -0.630 1.00 20.00 H new ATOM 560 N GLU A 439 -11.844 -0.422 2.372 1.00 20.00 N ATOM 561 CA GLU A 439 -11.760 -1.204 3.607 1.00 20.00 C ATOM 562 C GLU A 439 -10.336 -1.234 4.193 1.00 20.00 C ATOM 563 O GLU A 439 -10.103 -1.794 5.267 1.00 20.00 O ATOM 564 CB GLU A 439 -12.351 -2.607 3.372 1.00 20.00 C ATOM 565 CG GLU A 439 -13.871 -2.586 3.551 1.00 20.00 C ATOM 566 CD GLU A 439 -14.552 -3.835 2.963 1.00 20.00 C ATOM 567 OE1 GLU A 439 -14.612 -4.883 3.650 1.00 20.00 O ATOM 568 OE2 GLU A 439 -15.071 -3.758 1.821 1.00 20.00 O ATOM 0 H GLU A 439 -11.451 -0.904 1.564 1.00 20.00 H new ATOM 0 HA GLU A 439 -12.361 -0.712 4.372 1.00 20.00 H new ATOM 0 HB2 GLU A 439 -12.102 -2.949 2.368 1.00 20.00 H new ATOM 0 HB3 GLU A 439 -11.907 -3.317 4.070 1.00 20.00 H new ATOM 0 HG2 GLU A 439 -14.107 -2.513 4.613 1.00 20.00 H new ATOM 0 HG3 GLU A 439 -14.278 -1.695 3.072 1.00 20.00 H new ATOM 575 N GLY A 440 -9.368 -0.630 3.499 1.00 20.00 N ATOM 576 CA GLY A 440 -7.954 -0.633 3.867 1.00 20.00 C ATOM 577 C GLY A 440 -7.404 -2.058 3.964 1.00 20.00 C ATOM 578 O GLY A 440 -7.582 -2.873 3.059 1.00 20.00 O ATOM 0 H GLY A 440 -9.554 -0.111 2.641 1.00 20.00 H new ATOM 0 HA2 GLY A 440 -7.383 -0.071 3.128 1.00 20.00 H new ATOM 0 HA3 GLY A 440 -7.824 -0.126 4.823 1.00 20.00 H new ATOM 582 N ALA A 441 -6.762 -2.370 5.088 1.00 20.00 N ATOM 583 CA ALA A 441 -6.246 -3.708 5.393 1.00 20.00 C ATOM 584 C ALA A 441 -7.326 -4.695 5.906 1.00 20.00 C ATOM 585 O ALA A 441 -7.018 -5.862 6.158 1.00 20.00 O ATOM 586 CB ALA A 441 -5.070 -3.558 6.365 1.00 20.00 C ATOM 0 H ALA A 441 -6.581 -1.690 5.827 1.00 20.00 H new ATOM 0 HA ALA A 441 -5.901 -4.166 4.466 1.00 20.00 H new ATOM 0 HB1 ALA A 441 -4.670 -4.543 6.606 1.00 20.00 H new ATOM 0 HB2 ALA A 441 -4.290 -2.953 5.902 1.00 20.00 H new ATOM 0 HB3 ALA A 441 -5.413 -3.072 7.278 1.00 20.00 H new ATOM 592 N ASN A 442 -8.587 -4.259 6.046 1.00 20.00 N ATOM 593 CA ASN A 442 -9.724 -5.123 6.396 1.00 20.00 C ATOM 594 C ASN A 442 -10.352 -5.766 5.144 1.00 20.00 C ATOM 595 O ASN A 442 -11.111 -6.731 5.265 1.00 20.00 O ATOM 596 CB ASN A 442 -10.779 -4.330 7.193 1.00 20.00 C ATOM 597 CG ASN A 442 -10.206 -3.526 8.348 1.00 20.00 C ATOM 598 OD1 ASN A 442 -10.016 -4.018 9.452 1.00 20.00 O ATOM 599 ND2 ASN A 442 -9.908 -2.264 8.128 1.00 20.00 N ATOM 0 H ASN A 442 -8.849 -3.282 5.917 1.00 20.00 H new ATOM 0 HA ASN A 442 -9.349 -5.930 7.025 1.00 20.00 H new ATOM 0 HB2 ASN A 442 -11.298 -3.653 6.515 1.00 20.00 H new ATOM 0 HB3 ASN A 442 -11.524 -5.025 7.582 1.00 20.00 H new ATOM 0 HD21 ASN A 442 -9.518 -1.694 8.878 1.00 20.00 H new ATOM 0 HD22 ASN A 442 -10.067 -1.855 7.207 1.00 20.00 H new ATOM 606 N CYS A 443 -10.032 -5.240 3.953 1.00 20.00 N ATOM 607 CA CYS A 443 -10.477 -5.745 2.661 1.00 20.00 C ATOM 608 C CYS A 443 -10.064 -7.223 2.489 1.00 20.00 C ATOM 609 O CYS A 443 -8.878 -7.558 2.595 1.00 20.00 O ATOM 610 CB CYS A 443 -9.852 -4.862 1.583 1.00 20.00 C ATOM 611 SG CYS A 443 -10.507 -5.250 -0.084 1.00 20.00 S ATOM 0 H CYS A 443 -9.432 -4.419 3.868 1.00 20.00 H new ATOM 0 HA CYS A 443 -11.564 -5.709 2.584 1.00 20.00 H new ATOM 0 HB2 CYS A 443 -10.046 -3.815 1.814 1.00 20.00 H new ATOM 0 HB3 CYS A 443 -8.770 -4.994 1.588 1.00 20.00 H new ATOM 0 HG CYS A 443 -9.621 -4.937 -0.982 1.00 20.00 H new ATOM 616 N THR A 444 -11.023 -8.112 2.228 1.00 20.00 N ATOM 617 CA THR A 444 -10.802 -9.570 2.121 1.00 20.00 C ATOM 618 C THR A 444 -10.451 -10.038 0.704 1.00 20.00 C ATOM 619 O THR A 444 -10.318 -11.241 0.461 1.00 20.00 O ATOM 620 CB THR A 444 -11.999 -10.361 2.673 1.00 20.00 C ATOM 621 OG1 THR A 444 -13.218 -9.844 2.173 1.00 20.00 O ATOM 622 CG2 THR A 444 -12.029 -10.293 4.199 1.00 20.00 C ATOM 0 H THR A 444 -11.996 -7.843 2.081 1.00 20.00 H new ATOM 0 HA THR A 444 -9.927 -9.778 2.737 1.00 20.00 H new ATOM 0 HB THR A 444 -11.884 -11.396 2.352 1.00 20.00 H new ATOM 0 HG1 THR A 444 -13.966 -10.363 2.535 1.00 20.00 H new ATOM 0 HG21 THR A 444 -12.883 -10.859 4.572 1.00 20.00 H new ATOM 0 HG22 THR A 444 -11.109 -10.718 4.600 1.00 20.00 H new ATOM 0 HG23 THR A 444 -12.116 -9.254 4.515 1.00 20.00 H new ATOM 630 N ARG A 445 -10.291 -9.108 -0.247 1.00 20.00 N ATOM 631 CA ARG A 445 -10.135 -9.412 -1.675 1.00 20.00 C ATOM 632 C ARG A 445 -8.669 -9.620 -2.071 1.00 20.00 C ATOM 633 O ARG A 445 -7.822 -8.741 -1.886 1.00 20.00 O ATOM 634 CB ARG A 445 -10.837 -8.310 -2.485 1.00 20.00 C ATOM 635 CG ARG A 445 -11.034 -8.687 -3.968 1.00 20.00 C ATOM 636 CD ARG A 445 -11.958 -7.681 -4.679 1.00 20.00 C ATOM 637 NE ARG A 445 -11.705 -7.631 -6.136 1.00 20.00 N ATOM 638 CZ ARG A 445 -11.455 -6.566 -6.883 1.00 20.00 C ATOM 639 NH1 ARG A 445 -11.275 -5.367 -6.402 1.00 20.00 N ATOM 640 NH2 ARG A 445 -11.369 -6.693 -8.173 1.00 20.00 N ATOM 0 H ARG A 445 -10.266 -8.109 -0.043 1.00 20.00 H new ATOM 0 HA ARG A 445 -10.611 -10.366 -1.902 1.00 20.00 H new ATOM 0 HB2 ARG A 445 -11.808 -8.100 -2.037 1.00 20.00 H new ATOM 0 HB3 ARG A 445 -10.252 -7.392 -2.423 1.00 20.00 H new ATOM 0 HG2 ARG A 445 -10.067 -8.715 -4.471 1.00 20.00 H new ATOM 0 HG3 ARG A 445 -11.459 -9.688 -4.038 1.00 20.00 H new ATOM 0 HD2 ARG A 445 -12.998 -7.955 -4.501 1.00 20.00 H new ATOM 0 HD3 ARG A 445 -11.812 -6.689 -4.251 1.00 20.00 H new ATOM 0 HE ARG A 445 -11.726 -8.526 -6.625 1.00 20.00 H new ATOM 0 HH11 ARG A 445 -11.324 -5.209 -5.396 1.00 20.00 H new ATOM 0 HH12 ARG A 445 -11.086 -4.588 -7.032 1.00 20.00 H new ATOM 0 HH21 ARG A 445 -11.494 -7.609 -8.605 1.00 20.00 H new ATOM 0 HH22 ARG A 445 -11.177 -5.877 -8.754 1.00 20.00 H new ATOM 654 N ILE A 446 -8.378 -10.773 -2.672 1.00 20.00 N ATOM 655 CA ILE A 446 -7.069 -11.105 -3.270 1.00 20.00 C ATOM 656 C ILE A 446 -6.887 -10.443 -4.646 1.00 20.00 C ATOM 657 O ILE A 446 -5.790 -10.027 -5.004 1.00 20.00 O ATOM 658 CB ILE A 446 -6.908 -12.644 -3.295 1.00 20.00 C ATOM 659 CG1 ILE A 446 -6.769 -13.228 -1.866 1.00 20.00 C ATOM 660 CG2 ILE A 446 -5.740 -13.111 -4.178 1.00 20.00 C ATOM 661 CD1 ILE A 446 -5.654 -12.622 -0.997 1.00 20.00 C ATOM 0 H ILE A 446 -9.059 -11.527 -2.763 1.00 20.00 H new ATOM 0 HA ILE A 446 -6.266 -10.695 -2.658 1.00 20.00 H new ATOM 0 HB ILE A 446 -7.824 -13.030 -3.742 1.00 20.00 H new ATOM 0 HG12 ILE A 446 -7.719 -13.097 -1.347 1.00 20.00 H new ATOM 0 HG13 ILE A 446 -6.596 -14.301 -1.948 1.00 20.00 H new ATOM 0 HG21 ILE A 446 -5.679 -14.199 -4.155 1.00 20.00 H new ATOM 0 HG22 ILE A 446 -5.903 -12.779 -5.203 1.00 20.00 H new ATOM 0 HG23 ILE A 446 -4.808 -12.687 -3.803 1.00 20.00 H new ATOM 0 HD11 ILE A 446 -5.650 -13.106 -0.020 1.00 20.00 H new ATOM 0 HD12 ILE A 446 -4.690 -12.776 -1.482 1.00 20.00 H new ATOM 0 HD13 ILE A 446 -5.830 -11.554 -0.872 1.00 20.00 H new ATOM 673 N ASP A 447 -7.982 -10.267 -5.382 1.00 20.00 N ATOM 674 CA ASP A 447 -8.040 -9.677 -6.724 1.00 20.00 C ATOM 675 C ASP A 447 -7.961 -8.128 -6.738 1.00 20.00 C ATOM 676 O ASP A 447 -8.138 -7.515 -7.790 1.00 20.00 O ATOM 677 CB ASP A 447 -9.329 -10.229 -7.364 1.00 20.00 C ATOM 678 CG ASP A 447 -9.569 -9.819 -8.826 1.00 20.00 C ATOM 679 OD1 ASP A 447 -8.748 -10.175 -9.704 1.00 20.00 O ATOM 680 OD2 ASP A 447 -10.627 -9.199 -9.096 1.00 20.00 O ATOM 0 H ASP A 447 -8.903 -10.546 -5.044 1.00 20.00 H new ATOM 0 HA ASP A 447 -7.160 -9.958 -7.303 1.00 20.00 H new ATOM 0 HB2 ASP A 447 -9.304 -11.317 -7.309 1.00 20.00 H new ATOM 0 HB3 ASP A 447 -10.180 -9.899 -6.768 1.00 20.00 H new ATOM 685 N CYS A 448 -7.734 -7.467 -5.590 1.00 20.00 N ATOM 686 CA CYS A 448 -7.936 -6.039 -5.408 1.00 20.00 C ATOM 687 C CYS A 448 -6.580 -5.310 -5.393 1.00 20.00 C ATOM 688 O CYS A 448 -5.680 -5.620 -4.608 1.00 20.00 O ATOM 689 CB CYS A 448 -8.900 -5.976 -4.226 1.00 20.00 C ATOM 690 SG CYS A 448 -9.702 -4.386 -3.874 1.00 20.00 S ATOM 0 H CYS A 448 -7.396 -7.933 -4.748 1.00 20.00 H new ATOM 0 HA CYS A 448 -8.408 -5.470 -6.209 1.00 20.00 H new ATOM 0 HB2 CYS A 448 -9.682 -6.717 -4.392 1.00 20.00 H new ATOM 0 HB3 CYS A 448 -8.355 -6.282 -3.333 1.00 20.00 H new ATOM 0 HG CYS A 448 -9.127 -3.827 -2.851 1.00 20.00 H new ATOM 695 N LEU A 449 -6.407 -4.413 -6.370 1.00 20.00 N ATOM 696 CA LEU A 449 -5.100 -3.912 -6.836 1.00 20.00 C ATOM 697 C LEU A 449 -4.810 -2.467 -6.385 1.00 20.00 C ATOM 698 O LEU A 449 -3.881 -1.819 -6.869 1.00 20.00 O ATOM 699 CB LEU A 449 -4.984 -4.108 -8.361 1.00 20.00 C ATOM 700 CG LEU A 449 -5.378 -5.505 -8.893 1.00 20.00 C ATOM 701 CD1 LEU A 449 -5.088 -5.584 -10.391 1.00 20.00 C ATOM 702 CD2 LEU A 449 -4.650 -6.662 -8.202 1.00 20.00 C ATOM 0 H LEU A 449 -7.191 -4.001 -6.875 1.00 20.00 H new ATOM 0 HA LEU A 449 -4.319 -4.503 -6.358 1.00 20.00 H new ATOM 0 HB2 LEU A 449 -5.610 -3.363 -8.852 1.00 20.00 H new ATOM 0 HB3 LEU A 449 -3.955 -3.905 -8.657 1.00 20.00 H new ATOM 0 HG LEU A 449 -6.441 -5.617 -8.679 1.00 20.00 H new ATOM 0 HD11 LEU A 449 -5.366 -6.570 -10.764 1.00 20.00 H new ATOM 0 HD12 LEU A 449 -5.665 -4.822 -10.914 1.00 20.00 H new ATOM 0 HD13 LEU A 449 -4.025 -5.417 -10.565 1.00 20.00 H new ATOM 0 HD21 LEU A 449 -4.981 -7.608 -8.631 1.00 20.00 H new ATOM 0 HD22 LEU A 449 -3.575 -6.554 -8.347 1.00 20.00 H new ATOM 0 HD23 LEU A 449 -4.875 -6.649 -7.136 1.00 20.00 H new ATOM 714 N PHE A 450 -5.612 -1.987 -5.441 1.00 20.00 N ATOM 715 CA PHE A 450 -5.393 -0.770 -4.671 1.00 20.00 C ATOM 716 C PHE A 450 -4.270 -0.968 -3.640 1.00 20.00 C ATOM 717 O PHE A 450 -3.807 -2.084 -3.374 1.00 20.00 O ATOM 718 CB PHE A 450 -6.718 -0.391 -3.986 1.00 20.00 C ATOM 719 CG PHE A 450 -7.872 -0.102 -4.932 1.00 20.00 C ATOM 720 CD1 PHE A 450 -7.706 0.758 -6.036 1.00 20.00 C ATOM 721 CD2 PHE A 450 -9.124 -0.701 -4.709 1.00 20.00 C ATOM 722 CE1 PHE A 450 -8.772 0.977 -6.927 1.00 20.00 C ATOM 723 CE2 PHE A 450 -10.198 -0.460 -5.581 1.00 20.00 C ATOM 724 CZ PHE A 450 -10.021 0.373 -6.699 1.00 20.00 C ATOM 0 H PHE A 450 -6.476 -2.461 -5.180 1.00 20.00 H new ATOM 0 HA PHE A 450 -5.077 0.038 -5.331 1.00 20.00 H new ATOM 0 HB2 PHE A 450 -7.010 -1.202 -3.319 1.00 20.00 H new ATOM 0 HB3 PHE A 450 -6.549 0.488 -3.364 1.00 20.00 H new ATOM 0 HD1 PHE A 450 -6.758 1.250 -6.198 1.00 20.00 H new ATOM 0 HD2 PHE A 450 -9.261 -1.353 -3.859 1.00 20.00 H new ATOM 0 HE1 PHE A 450 -8.631 1.611 -7.789 1.00 20.00 H new ATOM 0 HE2 PHE A 450 -11.159 -0.915 -5.393 1.00 20.00 H new ATOM 0 HZ PHE A 450 -10.841 0.548 -7.380 1.00 20.00 H new ATOM 734 N GLY A 451 -3.866 0.130 -3.012 1.00 20.00 N ATOM 735 CA GLY A 451 -3.166 0.090 -1.732 1.00 20.00 C ATOM 736 C GLY A 451 -4.046 -0.563 -0.658 1.00 20.00 C ATOM 737 O GLY A 451 -5.134 -0.071 -0.357 1.00 20.00 O ATOM 0 H GLY A 451 -4.014 1.072 -3.374 1.00 20.00 H new ATOM 0 HA2 GLY A 451 -2.236 -0.468 -1.837 1.00 20.00 H new ATOM 0 HA3 GLY A 451 -2.898 1.101 -1.426 1.00 20.00 H new ATOM 741 N HIS A 452 -3.559 -1.653 -0.074 1.00 20.00 N ATOM 742 CA HIS A 452 -4.081 -2.271 1.145 1.00 20.00 C ATOM 743 C HIS A 452 -2.953 -2.190 2.202 1.00 20.00 C ATOM 744 O HIS A 452 -1.997 -2.960 2.102 1.00 20.00 O ATOM 745 CB HIS A 452 -4.523 -3.724 0.888 1.00 20.00 C ATOM 746 CG HIS A 452 -5.555 -3.956 -0.197 1.00 20.00 C ATOM 747 ND1 HIS A 452 -5.491 -4.887 -1.220 1.00 20.00 N ATOM 748 CD2 HIS A 452 -6.812 -3.434 -0.226 1.00 20.00 C ATOM 749 CE1 HIS A 452 -6.689 -4.957 -1.836 1.00 20.00 C ATOM 750 NE2 HIS A 452 -7.516 -4.074 -1.251 1.00 20.00 N ATOM 0 H HIS A 452 -2.755 -2.153 -0.452 1.00 20.00 H new ATOM 0 HA HIS A 452 -4.970 -1.749 1.498 1.00 20.00 H new ATOM 0 HB2 HIS A 452 -3.636 -4.307 0.640 1.00 20.00 H new ATOM 0 HB3 HIS A 452 -4.918 -4.126 1.821 1.00 20.00 H new ATOM 0 HD1 HIS A 452 -4.667 -5.434 -1.469 1.00 20.00 H new ATOM 0 HD2 HIS A 452 -7.197 -2.664 0.426 1.00 20.00 H new ATOM 0 HE1 HIS A 452 -6.940 -5.611 -2.658 1.00 20.00 H new ATOM 758 N PRO A 453 -2.990 -1.227 3.147 1.00 20.00 N ATOM 759 CA PRO A 453 -1.824 -0.741 3.902 1.00 20.00 C ATOM 760 C PRO A 453 -0.997 -1.793 4.668 1.00 20.00 C ATOM 761 O PRO A 453 -1.472 -2.871 5.030 1.00 20.00 O ATOM 762 CB PRO A 453 -2.353 0.368 4.825 1.00 20.00 C ATOM 763 CG PRO A 453 -3.866 0.154 4.839 1.00 20.00 C ATOM 764 CD PRO A 453 -4.133 -0.384 3.445 1.00 20.00 C ATOM 0 HA PRO A 453 -1.086 -0.383 3.184 1.00 20.00 H new ATOM 0 HB2 PRO A 453 -1.930 0.288 5.826 1.00 20.00 H new ATOM 0 HB3 PRO A 453 -2.094 1.357 4.448 1.00 20.00 H new ATOM 0 HG2 PRO A 453 -4.169 -0.552 5.612 1.00 20.00 H new ATOM 0 HG3 PRO A 453 -4.406 1.082 5.026 1.00 20.00 H new ATOM 0 HD2 PRO A 453 -5.063 -0.952 3.412 1.00 20.00 H new ATOM 0 HD3 PRO A 453 -4.228 0.425 2.720 1.00 20.00 H new ATOM 772 N ILE A 454 0.269 -1.436 4.930 1.00 20.00 N ATOM 773 CA ILE A 454 1.328 -2.302 5.469 1.00 20.00 C ATOM 774 C ILE A 454 1.706 -1.804 6.872 1.00 20.00 C ATOM 775 O ILE A 454 1.683 -0.600 7.130 1.00 20.00 O ATOM 776 CB ILE A 454 2.557 -2.317 4.517 1.00 20.00 C ATOM 777 CG1 ILE A 454 2.308 -2.965 3.133 1.00 20.00 C ATOM 778 CG2 ILE A 454 3.729 -3.087 5.146 1.00 20.00 C ATOM 779 CD1 ILE A 454 1.438 -2.152 2.174 1.00 20.00 C ATOM 0 H ILE A 454 0.599 -0.485 4.763 1.00 20.00 H new ATOM 0 HA ILE A 454 0.969 -3.328 5.543 1.00 20.00 H new ATOM 0 HB ILE A 454 2.776 -1.260 4.369 1.00 20.00 H new ATOM 0 HG12 ILE A 454 3.272 -3.146 2.657 1.00 20.00 H new ATOM 0 HG13 ILE A 454 1.840 -3.938 3.285 1.00 20.00 H new ATOM 0 HG21 ILE A 454 4.577 -3.083 4.461 1.00 20.00 H new ATOM 0 HG22 ILE A 454 4.017 -2.609 6.082 1.00 20.00 H new ATOM 0 HG23 ILE A 454 3.425 -4.115 5.342 1.00 20.00 H new ATOM 0 HD11 ILE A 454 1.326 -2.695 1.235 1.00 20.00 H new ATOM 0 HD12 ILE A 454 0.456 -1.992 2.620 1.00 20.00 H new ATOM 0 HD13 ILE A 454 1.910 -1.189 1.982 1.00 20.00 H new ATOM 791 N ASN A 455 2.069 -2.702 7.791 1.00 20.00 N ATOM 792 CA ASN A 455 2.679 -2.350 9.081 1.00 20.00 C ATOM 793 C ASN A 455 4.163 -1.945 8.897 1.00 20.00 C ATOM 794 O ASN A 455 5.080 -2.714 9.196 1.00 20.00 O ATOM 795 CB ASN A 455 2.467 -3.525 10.056 1.00 20.00 C ATOM 796 CG ASN A 455 2.925 -3.219 11.478 1.00 20.00 C ATOM 797 OD1 ASN A 455 3.181 -2.087 11.863 1.00 20.00 O ATOM 798 ND2 ASN A 455 3.015 -4.226 12.320 1.00 20.00 N ATOM 0 H ASN A 455 1.947 -3.706 7.661 1.00 20.00 H new ATOM 0 HA ASN A 455 2.198 -1.472 9.513 1.00 20.00 H new ATOM 0 HB2 ASN A 455 1.410 -3.789 10.071 1.00 20.00 H new ATOM 0 HB3 ASN A 455 3.008 -4.396 9.687 1.00 20.00 H new ATOM 0 HD21 ASN A 455 3.297 -4.059 13.286 1.00 20.00 H new ATOM 0 HD22 ASN A 455 2.803 -5.173 12.007 1.00 20.00 H new ATOM 805 N GLU A 456 4.397 -0.750 8.350 1.00 20.00 N ATOM 806 CA GLU A 456 5.718 -0.162 8.082 1.00 20.00 C ATOM 807 C GLU A 456 5.637 1.369 8.200 1.00 20.00 C ATOM 808 O GLU A 456 4.598 1.953 7.901 1.00 20.00 O ATOM 809 CB GLU A 456 6.164 -0.537 6.657 1.00 20.00 C ATOM 810 CG GLU A 456 7.636 -0.256 6.323 1.00 20.00 C ATOM 811 CD GLU A 456 8.613 -1.174 7.078 1.00 20.00 C ATOM 812 OE1 GLU A 456 8.895 -0.911 8.271 1.00 20.00 O ATOM 813 OE2 GLU A 456 9.135 -2.136 6.461 1.00 20.00 O ATOM 0 H GLU A 456 3.635 -0.133 8.067 1.00 20.00 H new ATOM 0 HA GLU A 456 6.437 -0.545 8.807 1.00 20.00 H new ATOM 0 HB2 GLU A 456 5.973 -1.599 6.504 1.00 20.00 H new ATOM 0 HB3 GLU A 456 5.540 0.005 5.947 1.00 20.00 H new ATOM 0 HG2 GLU A 456 7.788 -0.377 5.251 1.00 20.00 H new ATOM 0 HG3 GLU A 456 7.865 0.783 6.562 1.00 20.00 H new ATOM 820 N ASP A 457 6.727 2.027 8.588 1.00 20.00 N ATOM 821 CA ASP A 457 6.812 3.494 8.678 1.00 20.00 C ATOM 822 C ASP A 457 7.407 4.109 7.398 1.00 20.00 C ATOM 823 O ASP A 457 8.516 3.749 6.989 1.00 20.00 O ATOM 824 CB ASP A 457 7.624 3.907 9.914 1.00 20.00 C ATOM 825 CG ASP A 457 6.902 3.562 11.227 1.00 20.00 C ATOM 826 OD1 ASP A 457 5.924 4.264 11.581 1.00 20.00 O ATOM 827 OD2 ASP A 457 7.325 2.608 11.924 1.00 20.00 O ATOM 0 H ASP A 457 7.591 1.555 8.854 1.00 20.00 H new ATOM 0 HA ASP A 457 5.799 3.882 8.781 1.00 20.00 H new ATOM 0 HB2 ASP A 457 8.593 3.409 9.893 1.00 20.00 H new ATOM 0 HB3 ASP A 457 7.816 4.979 9.878 1.00 20.00 H new ATOM 832 N CYS A 458 6.682 5.047 6.774 1.00 20.00 N ATOM 833 CA CYS A 458 7.093 5.700 5.527 1.00 20.00 C ATOM 834 C CYS A 458 8.430 6.457 5.631 1.00 20.00 C ATOM 835 O CYS A 458 8.761 7.087 6.642 1.00 20.00 O ATOM 836 CB CYS A 458 5.958 6.598 5.021 1.00 20.00 C ATOM 837 SG CYS A 458 6.305 7.171 3.309 1.00 20.00 S ATOM 0 H CYS A 458 5.783 5.377 7.126 1.00 20.00 H new ATOM 0 HA CYS A 458 7.282 4.914 4.796 1.00 20.00 H new ATOM 0 HB2 CYS A 458 5.016 6.051 5.044 1.00 20.00 H new ATOM 0 HB3 CYS A 458 5.844 7.457 5.682 1.00 20.00 H new ATOM 0 HG CYS A 458 5.206 7.601 2.764 1.00 20.00 H new ATOM 842 N ARG A 459 9.165 6.425 4.517 1.00 20.00 N ATOM 843 CA ARG A 459 10.437 7.131 4.280 1.00 20.00 C ATOM 844 C ARG A 459 10.272 8.631 3.980 1.00 20.00 C ATOM 845 O ARG A 459 11.273 9.344 3.933 1.00 20.00 O ATOM 846 CB ARG A 459 11.305 6.374 3.240 1.00 20.00 C ATOM 847 CG ARG A 459 10.577 5.532 2.172 1.00 20.00 C ATOM 848 CD ARG A 459 9.660 6.340 1.246 1.00 20.00 C ATOM 849 NE ARG A 459 8.745 5.452 0.505 1.00 20.00 N ATOM 850 CZ ARG A 459 7.604 5.800 -0.065 1.00 20.00 C ATOM 851 NH1 ARG A 459 7.221 7.039 -0.182 1.00 20.00 N ATOM 852 NH2 ARG A 459 6.801 4.892 -0.529 1.00 20.00 N ATOM 0 H ARG A 459 8.877 5.876 3.707 1.00 20.00 H new ATOM 0 HA ARG A 459 10.986 7.120 5.221 1.00 20.00 H new ATOM 0 HB2 ARG A 459 11.924 7.107 2.723 1.00 20.00 H new ATOM 0 HB3 ARG A 459 11.980 5.714 3.784 1.00 20.00 H new ATOM 0 HG2 ARG A 459 11.320 5.014 1.566 1.00 20.00 H new ATOM 0 HG3 ARG A 459 9.984 4.766 2.672 1.00 20.00 H new ATOM 0 HD2 ARG A 459 9.083 7.055 1.833 1.00 20.00 H new ATOM 0 HD3 ARG A 459 10.262 6.916 0.543 1.00 20.00 H new ATOM 0 HE ARG A 459 9.019 4.473 0.424 1.00 20.00 H new ATOM 0 HH11 ARG A 459 7.811 7.791 0.174 1.00 20.00 H new ATOM 0 HH12 ARG A 459 6.331 7.258 -0.630 1.00 20.00 H new ATOM 0 HH21 ARG A 459 7.049 3.905 -0.455 1.00 20.00 H new ATOM 0 HH22 ARG A 459 5.922 5.165 -0.968 1.00 20.00 H new ATOM 866 N PHE A 460 9.034 9.123 3.831 1.00 20.00 N ATOM 867 CA PHE A 460 8.710 10.559 3.727 1.00 20.00 C ATOM 868 C PHE A 460 7.659 11.033 4.755 1.00 20.00 C ATOM 869 O PHE A 460 7.661 12.213 5.118 1.00 20.00 O ATOM 870 CB PHE A 460 8.289 10.895 2.285 1.00 20.00 C ATOM 871 CG PHE A 460 9.436 11.184 1.328 1.00 20.00 C ATOM 872 CD1 PHE A 460 10.223 10.136 0.817 1.00 20.00 C ATOM 873 CD2 PHE A 460 9.712 12.509 0.932 1.00 20.00 C ATOM 874 CE1 PHE A 460 11.281 10.404 -0.071 1.00 20.00 C ATOM 875 CE2 PHE A 460 10.767 12.780 0.043 1.00 20.00 C ATOM 876 CZ PHE A 460 11.553 11.727 -0.458 1.00 20.00 C ATOM 0 H PHE A 460 8.210 8.524 3.778 1.00 20.00 H new ATOM 0 HA PHE A 460 9.616 11.112 3.975 1.00 20.00 H new ATOM 0 HB2 PHE A 460 7.708 10.062 1.889 1.00 20.00 H new ATOM 0 HB3 PHE A 460 7.629 11.762 2.309 1.00 20.00 H new ATOM 0 HD1 PHE A 460 10.013 9.117 1.109 1.00 20.00 H new ATOM 0 HD2 PHE A 460 9.110 13.320 1.314 1.00 20.00 H new ATOM 0 HE1 PHE A 460 11.883 9.594 -0.455 1.00 20.00 H new ATOM 0 HE2 PHE A 460 10.974 13.797 -0.255 1.00 20.00 H new ATOM 0 HZ PHE A 460 12.365 11.935 -1.139 1.00 20.00 H new ATOM 886 N GLY A 461 6.781 10.157 5.265 1.00 20.00 N ATOM 887 CA GLY A 461 5.863 10.465 6.366 1.00 20.00 C ATOM 888 C GLY A 461 4.828 11.526 5.988 1.00 20.00 C ATOM 889 O GLY A 461 3.990 11.307 5.118 1.00 20.00 O ATOM 0 H GLY A 461 6.689 9.202 4.918 1.00 20.00 H new ATOM 0 HA2 GLY A 461 5.349 9.554 6.672 1.00 20.00 H new ATOM 0 HA3 GLY A 461 6.436 10.812 7.226 1.00 20.00 H new ATOM 893 N VAL A 462 4.907 12.692 6.629 1.00 20.00 N ATOM 894 CA VAL A 462 4.031 13.857 6.350 1.00 20.00 C ATOM 895 C VAL A 462 4.473 14.689 5.137 1.00 20.00 C ATOM 896 O VAL A 462 3.699 15.494 4.615 1.00 20.00 O ATOM 897 CB VAL A 462 3.849 14.756 7.591 1.00 20.00 C ATOM 898 CG1 VAL A 462 3.194 13.977 8.737 1.00 20.00 C ATOM 899 CG2 VAL A 462 5.167 15.360 8.095 1.00 20.00 C ATOM 0 H VAL A 462 5.587 12.868 7.369 1.00 20.00 H new ATOM 0 HA VAL A 462 3.064 13.425 6.092 1.00 20.00 H new ATOM 0 HB VAL A 462 3.204 15.575 7.272 1.00 20.00 H new ATOM 0 HG11 VAL A 462 3.076 14.631 9.601 1.00 20.00 H new ATOM 0 HG12 VAL A 462 2.216 13.616 8.419 1.00 20.00 H new ATOM 0 HG13 VAL A 462 3.824 13.129 9.007 1.00 20.00 H new ATOM 0 HG21 VAL A 462 4.972 15.982 8.969 1.00 20.00 H new ATOM 0 HG22 VAL A 462 5.854 14.559 8.366 1.00 20.00 H new ATOM 0 HG23 VAL A 462 5.612 15.969 7.309 1.00 20.00 H new ATOM 909 N ASN A 463 5.695 14.463 4.646 1.00 20.00 N ATOM 910 CA ASN A 463 6.217 15.070 3.414 1.00 20.00 C ATOM 911 C ASN A 463 5.716 14.325 2.157 1.00 20.00 C ATOM 912 O ASN A 463 5.706 14.884 1.061 1.00 20.00 O ATOM 913 CB ASN A 463 7.758 15.090 3.463 1.00 20.00 C ATOM 914 CG ASN A 463 8.321 15.720 4.728 1.00 20.00 C ATOM 915 OD1 ASN A 463 8.466 16.929 4.840 1.00 20.00 O ATOM 916 ND2 ASN A 463 8.647 14.920 5.721 1.00 20.00 N ATOM 0 H ASN A 463 6.363 13.841 5.101 1.00 20.00 H new ATOM 0 HA ASN A 463 5.846 16.093 3.348 1.00 20.00 H new ATOM 0 HB2 ASN A 463 8.129 14.068 3.380 1.00 20.00 H new ATOM 0 HB3 ASN A 463 8.133 15.636 2.598 1.00 20.00 H new ATOM 0 HD21 ASN A 463 9.022 15.308 6.587 1.00 20.00 H new ATOM 0 HD22 ASN A 463 8.525 13.912 5.625 1.00 20.00 H new ATOM 923 N CYS A 464 5.283 13.072 2.330 1.00 20.00 N ATOM 924 CA CYS A 464 4.775 12.168 1.305 1.00 20.00 C ATOM 925 C CYS A 464 3.431 12.661 0.738 1.00 20.00 C ATOM 926 O CYS A 464 2.588 13.168 1.487 1.00 20.00 O ATOM 927 CB CYS A 464 4.633 10.806 1.991 1.00 20.00 C ATOM 928 SG CYS A 464 4.534 9.412 0.821 1.00 20.00 S ATOM 0 H CYS A 464 5.280 12.638 3.253 1.00 20.00 H new ATOM 0 HA CYS A 464 5.449 12.112 0.450 1.00 20.00 H new ATOM 0 HB2 CYS A 464 5.483 10.652 2.656 1.00 20.00 H new ATOM 0 HB3 CYS A 464 3.738 10.813 2.613 1.00 20.00 H new ATOM 0 HG CYS A 464 3.930 8.411 1.389 1.00 20.00 H new ATOM 933 N LYS A 465 3.232 12.538 -0.579 1.00 20.00 N ATOM 934 CA LYS A 465 2.009 12.968 -1.292 1.00 20.00 C ATOM 935 C LYS A 465 1.403 11.872 -2.185 1.00 20.00 C ATOM 936 O LYS A 465 0.438 12.127 -2.905 1.00 20.00 O ATOM 937 CB LYS A 465 2.276 14.288 -2.052 1.00 20.00 C ATOM 938 CG LYS A 465 2.676 15.466 -1.140 1.00 20.00 C ATOM 939 CD LYS A 465 1.517 16.037 -0.301 1.00 20.00 C ATOM 940 CE LYS A 465 2.039 16.777 0.941 1.00 20.00 C ATOM 941 NZ LYS A 465 2.167 15.856 2.100 1.00 20.00 N ATOM 0 H LYS A 465 3.930 12.128 -1.200 1.00 20.00 H new ATOM 0 HA LYS A 465 1.240 13.158 -0.543 1.00 20.00 H new ATOM 0 HB2 LYS A 465 3.068 14.121 -2.782 1.00 20.00 H new ATOM 0 HB3 LYS A 465 1.381 14.562 -2.610 1.00 20.00 H new ATOM 0 HG2 LYS A 465 3.469 15.138 -0.468 1.00 20.00 H new ATOM 0 HG3 LYS A 465 3.091 16.264 -1.756 1.00 20.00 H new ATOM 0 HD2 LYS A 465 0.925 16.719 -0.911 1.00 20.00 H new ATOM 0 HD3 LYS A 465 0.855 15.228 0.007 1.00 20.00 H new ATOM 0 HE2 LYS A 465 3.008 17.225 0.720 1.00 20.00 H new ATOM 0 HE3 LYS A 465 1.361 17.592 1.194 1.00 20.00 H new ATOM 0 HZ1 LYS A 465 2.817 16.267 2.800 1.00 20.00 H new ATOM 0 HZ2 LYS A 465 1.233 15.714 2.536 1.00 20.00 H new ATOM 0 HZ3 LYS A 465 2.541 14.941 1.777 1.00 20.00 H new ATOM 955 N ASN A 466 1.937 10.650 -2.122 1.00 20.00 N ATOM 956 CA ASN A 466 1.414 9.485 -2.839 1.00 20.00 C ATOM 957 C ASN A 466 0.221 8.868 -2.075 1.00 20.00 C ATOM 958 O ASN A 466 0.368 8.359 -0.962 1.00 20.00 O ATOM 959 CB ASN A 466 2.577 8.505 -3.090 1.00 20.00 C ATOM 960 CG ASN A 466 2.163 7.204 -3.768 1.00 20.00 C ATOM 961 OD1 ASN A 466 1.001 6.940 -4.035 1.00 20.00 O ATOM 962 ND2 ASN A 466 3.104 6.343 -4.075 1.00 20.00 N ATOM 0 H ASN A 466 2.761 10.439 -1.560 1.00 20.00 H new ATOM 0 HA ASN A 466 1.012 9.769 -3.812 1.00 20.00 H new ATOM 0 HB2 ASN A 466 3.328 9.000 -3.706 1.00 20.00 H new ATOM 0 HB3 ASN A 466 3.051 8.270 -2.137 1.00 20.00 H new ATOM 0 HD21 ASN A 466 2.862 5.464 -4.532 1.00 20.00 H new ATOM 0 HD22 ASN A 466 4.078 6.553 -3.857 1.00 20.00 H new ATOM 969 N ILE A 467 -0.965 8.909 -2.692 1.00 20.00 N ATOM 970 CA ILE A 467 -2.247 8.490 -2.097 1.00 20.00 C ATOM 971 C ILE A 467 -2.311 6.984 -1.785 1.00 20.00 C ATOM 972 O ILE A 467 -3.023 6.551 -0.878 1.00 20.00 O ATOM 973 CB ILE A 467 -3.417 8.875 -3.044 1.00 20.00 C ATOM 974 CG1 ILE A 467 -3.277 10.238 -3.753 1.00 20.00 C ATOM 975 CG2 ILE A 467 -4.749 8.855 -2.286 1.00 20.00 C ATOM 976 CD1 ILE A 467 -3.115 11.427 -2.806 1.00 20.00 C ATOM 0 H ILE A 467 -1.066 9.245 -3.650 1.00 20.00 H new ATOM 0 HA ILE A 467 -2.335 9.014 -1.145 1.00 20.00 H new ATOM 0 HB ILE A 467 -3.386 8.118 -3.828 1.00 20.00 H new ATOM 0 HG12 ILE A 467 -2.416 10.200 -4.420 1.00 20.00 H new ATOM 0 HG13 ILE A 467 -4.156 10.402 -4.376 1.00 20.00 H new ATOM 0 HG21 ILE A 467 -5.558 9.127 -2.964 1.00 20.00 H new ATOM 0 HG22 ILE A 467 -4.928 7.855 -1.891 1.00 20.00 H new ATOM 0 HG23 ILE A 467 -4.710 9.569 -1.463 1.00 20.00 H new ATOM 0 HD11 ILE A 467 -3.023 12.345 -3.387 1.00 20.00 H new ATOM 0 HD12 ILE A 467 -3.987 11.495 -2.155 1.00 20.00 H new ATOM 0 HD13 ILE A 467 -2.219 11.290 -2.200 1.00 20.00 H new ATOM 988 N TYR A 468 -1.563 6.185 -2.540 1.00 20.00 N ATOM 989 CA TYR A 468 -1.586 4.716 -2.588 1.00 20.00 C ATOM 990 C TYR A 468 -0.223 4.106 -2.201 1.00 20.00 C ATOM 991 O TYR A 468 0.152 3.020 -2.650 1.00 20.00 O ATOM 992 CB TYR A 468 -2.097 4.283 -3.974 1.00 20.00 C ATOM 993 CG TYR A 468 -1.341 4.865 -5.160 1.00 20.00 C ATOM 994 CD1 TYR A 468 -1.684 6.141 -5.649 1.00 20.00 C ATOM 995 CD2 TYR A 468 -0.301 4.140 -5.774 1.00 20.00 C ATOM 996 CE1 TYR A 468 -0.981 6.710 -6.727 1.00 20.00 C ATOM 997 CE2 TYR A 468 0.401 4.698 -6.861 1.00 20.00 C ATOM 998 CZ TYR A 468 0.070 5.987 -7.335 1.00 20.00 C ATOM 999 OH TYR A 468 0.756 6.517 -8.385 1.00 20.00 O ATOM 0 H TYR A 468 -0.872 6.570 -3.184 1.00 20.00 H new ATOM 0 HA TYR A 468 -2.275 4.324 -1.839 1.00 20.00 H new ATOM 0 HB2 TYR A 468 -2.053 3.196 -4.035 1.00 20.00 H new ATOM 0 HB3 TYR A 468 -3.146 4.565 -4.060 1.00 20.00 H new ATOM 0 HD1 TYR A 468 -2.495 6.688 -5.192 1.00 20.00 H new ATOM 0 HD2 TYR A 468 -0.042 3.156 -5.412 1.00 20.00 H new ATOM 0 HE1 TYR A 468 -1.243 7.694 -7.088 1.00 20.00 H new ATOM 0 HE2 TYR A 468 1.195 4.138 -7.333 1.00 20.00 H new ATOM 0 HH TYR A 468 1.445 5.885 -8.678 1.00 20.00 H new ATOM 1009 N CYS A 469 0.521 4.825 -1.358 1.00 20.00 N ATOM 1010 CA CYS A 469 1.835 4.477 -0.850 1.00 20.00 C ATOM 1011 C CYS A 469 1.738 3.302 0.143 1.00 20.00 C ATOM 1012 O CYS A 469 0.774 3.174 0.907 1.00 20.00 O ATOM 1013 CB CYS A 469 2.366 5.777 -0.254 1.00 20.00 C ATOM 1014 SG CYS A 469 4.011 5.637 0.524 1.00 20.00 S ATOM 0 H CYS A 469 0.195 5.720 -0.994 1.00 20.00 H new ATOM 0 HA CYS A 469 2.524 4.111 -1.611 1.00 20.00 H new ATOM 0 HB2 CYS A 469 2.413 6.530 -1.041 1.00 20.00 H new ATOM 0 HB3 CYS A 469 1.656 6.138 0.490 1.00 20.00 H new ATOM 0 HG CYS A 469 4.006 6.261 1.664 1.00 20.00 H new ATOM 1019 N LEU A 470 2.734 2.416 0.104 1.00 20.00 N ATOM 1020 CA LEU A 470 2.704 1.092 0.740 1.00 20.00 C ATOM 1021 C LEU A 470 3.438 1.073 2.089 1.00 20.00 C ATOM 1022 O LEU A 470 4.179 0.151 2.432 1.00 20.00 O ATOM 1023 CB LEU A 470 3.150 0.031 -0.274 1.00 20.00 C ATOM 1024 CG LEU A 470 2.306 0.005 -1.563 1.00 20.00 C ATOM 1025 CD1 LEU A 470 2.722 -1.193 -2.412 1.00 20.00 C ATOM 1026 CD2 LEU A 470 0.807 -0.098 -1.281 1.00 20.00 C ATOM 0 H LEU A 470 3.610 2.602 -0.384 1.00 20.00 H new ATOM 0 HA LEU A 470 1.682 0.837 1.019 1.00 20.00 H new ATOM 0 HB2 LEU A 470 4.192 0.210 -0.538 1.00 20.00 H new ATOM 0 HB3 LEU A 470 3.105 -0.950 0.198 1.00 20.00 H new ATOM 0 HG LEU A 470 2.486 0.944 -2.085 1.00 20.00 H new ATOM 0 HD11 LEU A 470 2.127 -1.216 -3.325 1.00 20.00 H new ATOM 0 HD12 LEU A 470 3.778 -1.108 -2.668 1.00 20.00 H new ATOM 0 HD13 LEU A 470 2.558 -2.112 -1.849 1.00 20.00 H new ATOM 0 HD21 LEU A 470 0.260 -0.112 -2.223 1.00 20.00 H new ATOM 0 HD22 LEU A 470 0.603 -1.015 -0.729 1.00 20.00 H new ATOM 0 HD23 LEU A 470 0.488 0.760 -0.689 1.00 20.00 H new ATOM 1038 N PHE A 471 3.201 2.148 2.835 1.00 20.00 N ATOM 1039 CA PHE A 471 3.767 2.478 4.136 1.00 20.00 C ATOM 1040 C PHE A 471 2.737 3.309 4.921 1.00 20.00 C ATOM 1041 O PHE A 471 1.991 4.094 4.330 1.00 20.00 O ATOM 1042 CB PHE A 471 5.052 3.305 3.956 1.00 20.00 C ATOM 1043 CG PHE A 471 6.222 2.668 3.215 1.00 20.00 C ATOM 1044 CD1 PHE A 471 6.215 2.554 1.810 1.00 20.00 C ATOM 1045 CD2 PHE A 471 7.359 2.245 3.928 1.00 20.00 C ATOM 1046 CE1 PHE A 471 7.298 1.956 1.137 1.00 20.00 C ATOM 1047 CE2 PHE A 471 8.458 1.682 3.256 1.00 20.00 C ATOM 1048 CZ PHE A 471 8.423 1.525 1.860 1.00 20.00 C ATOM 0 H PHE A 471 2.554 2.870 2.517 1.00 20.00 H new ATOM 0 HA PHE A 471 4.007 1.561 4.675 1.00 20.00 H new ATOM 0 HB2 PHE A 471 4.786 4.223 3.432 1.00 20.00 H new ATOM 0 HB3 PHE A 471 5.403 3.594 4.947 1.00 20.00 H new ATOM 0 HD1 PHE A 471 5.373 2.928 1.246 1.00 20.00 H new ATOM 0 HD2 PHE A 471 7.388 2.354 5.002 1.00 20.00 H new ATOM 0 HE1 PHE A 471 7.264 1.829 0.065 1.00 20.00 H new ATOM 0 HE2 PHE A 471 9.329 1.370 3.813 1.00 20.00 H new ATOM 0 HZ PHE A 471 9.258 1.074 1.344 1.00 20.00 H new ATOM 1058 N ARG A 472 2.694 3.167 6.250 1.00 20.00 N ATOM 1059 CA ARG A 472 1.881 4.013 7.139 1.00 20.00 C ATOM 1060 C ARG A 472 2.529 5.387 7.355 1.00 20.00 C ATOM 1061 O ARG A 472 3.751 5.532 7.272 1.00 20.00 O ATOM 1062 CB ARG A 472 1.580 3.273 8.463 1.00 20.00 C ATOM 1063 CG ARG A 472 0.076 3.237 8.785 1.00 20.00 C ATOM 1064 CD ARG A 472 -0.716 2.307 7.848 1.00 20.00 C ATOM 1065 NE ARG A 472 -0.480 0.879 8.157 1.00 20.00 N ATOM 1066 CZ ARG A 472 -1.180 0.123 8.986 1.00 20.00 C ATOM 1067 NH1 ARG A 472 -2.190 0.582 9.668 1.00 20.00 N ATOM 1068 NH2 ARG A 472 -0.877 -1.132 9.148 1.00 20.00 N ATOM 0 H ARG A 472 3.228 2.454 6.747 1.00 20.00 H new ATOM 0 HA ARG A 472 0.923 4.207 6.656 1.00 20.00 H new ATOM 0 HB2 ARG A 472 1.960 2.253 8.401 1.00 20.00 H new ATOM 0 HB3 ARG A 472 2.112 3.762 9.279 1.00 20.00 H new ATOM 0 HG2 ARG A 472 -0.062 2.909 9.815 1.00 20.00 H new ATOM 0 HG3 ARG A 472 -0.330 4.246 8.715 1.00 20.00 H new ATOM 0 HD2 ARG A 472 -1.780 2.526 7.934 1.00 20.00 H new ATOM 0 HD3 ARG A 472 -0.433 2.506 6.815 1.00 20.00 H new ATOM 0 HE ARG A 472 0.304 0.432 7.681 1.00 20.00 H new ATOM 0 HH11 ARG A 472 -2.468 1.559 9.573 1.00 20.00 H new ATOM 0 HH12 ARG A 472 -2.703 -0.035 10.297 1.00 20.00 H new ATOM 0 HH21 ARG A 472 -0.095 -1.538 8.634 1.00 20.00 H new ATOM 0 HH22 ARG A 472 -1.421 -1.709 9.789 1.00 20.00 H new ATOM 1082 N HIS A 473 1.700 6.392 7.640 1.00 20.00 N ATOM 1083 CA HIS A 473 2.091 7.804 7.740 1.00 20.00 C ATOM 1084 C HIS A 473 1.670 8.400 9.100 1.00 20.00 C ATOM 1085 O HIS A 473 0.606 8.028 9.609 1.00 20.00 O ATOM 1086 CB HIS A 473 1.458 8.591 6.577 1.00 20.00 C ATOM 1087 CG HIS A 473 1.775 8.056 5.204 1.00 20.00 C ATOM 1088 ND1 HIS A 473 0.953 7.311 4.381 1.00 20.00 N ATOM 1089 CD2 HIS A 473 2.957 8.217 4.543 1.00 20.00 C ATOM 1090 CE1 HIS A 473 1.633 7.011 3.255 1.00 20.00 C ATOM 1091 NE2 HIS A 473 2.860 7.554 3.322 1.00 20.00 N ATOM 0 H HIS A 473 0.706 6.244 7.814 1.00 20.00 H new ATOM 0 HA HIS A 473 3.176 7.878 7.674 1.00 20.00 H new ATOM 0 HB2 HIS A 473 0.376 8.597 6.708 1.00 20.00 H new ATOM 0 HB3 HIS A 473 1.792 9.627 6.634 1.00 20.00 H new ATOM 0 HD1 HIS A 473 -0.006 7.034 4.589 1.00 20.00 H new ATOM 0 HD2 HIS A 473 3.817 8.763 4.903 1.00 20.00 H new ATOM 0 HE1 HIS A 473 1.251 6.427 2.431 1.00 20.00 H new ATOM 1099 N PRO A 474 2.428 9.353 9.683 1.00 20.00 N ATOM 1100 CA PRO A 474 2.074 9.995 10.953 1.00 20.00 C ATOM 1101 C PRO A 474 0.708 10.714 10.919 1.00 20.00 C ATOM 1102 O PRO A 474 0.228 11.063 9.834 1.00 20.00 O ATOM 1103 CB PRO A 474 3.209 10.983 11.255 1.00 20.00 C ATOM 1104 CG PRO A 474 4.395 10.430 10.471 1.00 20.00 C ATOM 1105 CD PRO A 474 3.726 9.838 9.235 1.00 20.00 C ATOM 0 HA PRO A 474 1.966 9.239 11.731 1.00 20.00 H new ATOM 0 HB2 PRO A 474 2.955 11.993 10.935 1.00 20.00 H new ATOM 0 HB3 PRO A 474 3.423 11.031 12.323 1.00 20.00 H new ATOM 0 HG2 PRO A 474 5.109 11.211 10.211 1.00 20.00 H new ATOM 0 HG3 PRO A 474 4.940 9.675 11.038 1.00 20.00 H new ATOM 0 HD2 PRO A 474 3.615 10.589 8.453 1.00 20.00 H new ATOM 0 HD3 PRO A 474 4.323 9.028 8.817 1.00 20.00 H new ATOM 1113 N PRO A 475 0.068 10.954 12.079 1.00 20.00 N ATOM 1114 CA PRO A 475 -1.165 11.736 12.175 1.00 20.00 C ATOM 1115 C PRO A 475 -0.934 13.225 11.853 1.00 20.00 C ATOM 1116 O PRO A 475 0.189 13.732 11.932 1.00 20.00 O ATOM 1117 CB PRO A 475 -1.661 11.524 13.610 1.00 20.00 C ATOM 1118 CG PRO A 475 -0.370 11.298 14.395 1.00 20.00 C ATOM 1119 CD PRO A 475 0.505 10.533 13.403 1.00 20.00 C ATOM 0 HA PRO A 475 -1.905 11.411 11.443 1.00 20.00 H new ATOM 0 HB2 PRO A 475 -2.210 12.391 13.979 1.00 20.00 H new ATOM 0 HB3 PRO A 475 -2.331 10.668 13.682 1.00 20.00 H new ATOM 0 HG2 PRO A 475 0.089 12.239 14.696 1.00 20.00 H new ATOM 0 HG3 PRO A 475 -0.546 10.724 15.305 1.00 20.00 H new ATOM 0 HD2 PRO A 475 1.560 10.760 13.557 1.00 20.00 H new ATOM 0 HD3 PRO A 475 0.389 9.457 13.529 1.00 20.00 H new ATOM 1127 N GLY A 476 -2.006 13.941 11.493 1.00 20.00 N ATOM 1128 CA GLY A 476 -1.943 15.360 11.107 1.00 20.00 C ATOM 1129 C GLY A 476 -1.283 15.613 9.740 1.00 20.00 C ATOM 1130 O GLY A 476 -0.710 16.683 9.516 1.00 20.00 O ATOM 0 H GLY A 476 -2.948 13.552 11.460 1.00 20.00 H new ATOM 0 HA2 GLY A 476 -2.955 15.766 11.090 1.00 20.00 H new ATOM 0 HA3 GLY A 476 -1.392 15.909 11.871 1.00 20.00 H new ATOM 1134 N ARG A 477 -1.331 14.622 8.837 1.00 20.00 N ATOM 1135 CA ARG A 477 -0.782 14.669 7.473 1.00 20.00 C ATOM 1136 C ARG A 477 -1.686 15.464 6.526 1.00 20.00 C ATOM 1137 O ARG A 477 -2.829 15.787 6.858 1.00 20.00 O ATOM 1138 CB ARG A 477 -0.535 13.225 6.984 1.00 20.00 C ATOM 1139 CG ARG A 477 -1.829 12.474 6.606 1.00 20.00 C ATOM 1140 CD ARG A 477 -1.592 10.972 6.412 1.00 20.00 C ATOM 1141 NE ARG A 477 -1.509 10.261 7.705 1.00 20.00 N ATOM 1142 CZ ARG A 477 -2.423 9.485 8.261 1.00 20.00 C ATOM 1143 NH1 ARG A 477 -3.626 9.359 7.775 1.00 20.00 N ATOM 1144 NH2 ARG A 477 -2.138 8.807 9.333 1.00 20.00 N ATOM 0 H ARG A 477 -1.773 13.727 9.046 1.00 20.00 H new ATOM 0 HA ARG A 477 0.170 15.200 7.482 1.00 20.00 H new ATOM 0 HB2 ARG A 477 0.127 13.251 6.118 1.00 20.00 H new ATOM 0 HB3 ARG A 477 -0.016 12.669 7.765 1.00 20.00 H new ATOM 0 HG2 ARG A 477 -2.575 12.624 7.386 1.00 20.00 H new ATOM 0 HG3 ARG A 477 -2.238 12.897 5.688 1.00 20.00 H new ATOM 0 HD2 ARG A 477 -2.401 10.550 5.816 1.00 20.00 H new ATOM 0 HD3 ARG A 477 -0.669 10.818 5.852 1.00 20.00 H new ATOM 0 HE ARG A 477 -0.644 10.384 8.231 1.00 20.00 H new ATOM 0 HH11 ARG A 477 -3.892 9.871 6.934 1.00 20.00 H new ATOM 0 HH12 ARG A 477 -4.301 8.749 8.236 1.00 20.00 H new ATOM 0 HH21 ARG A 477 -1.208 8.873 9.746 1.00 20.00 H new ATOM 0 HH22 ARG A 477 -2.845 8.209 9.761 1.00 20.00 H new ATOM 1158 N VAL A 478 -1.188 15.708 5.315 1.00 20.00 N ATOM 1159 CA VAL A 478 -1.972 16.251 4.193 1.00 20.00 C ATOM 1160 C VAL A 478 -1.667 15.463 2.919 1.00 20.00 C ATOM 1161 O VAL A 478 -0.507 15.161 2.639 1.00 20.00 O ATOM 1162 CB VAL A 478 -1.709 17.761 3.981 1.00 20.00 C ATOM 1163 CG1 VAL A 478 -2.595 18.351 2.873 1.00 20.00 C ATOM 1164 CG2 VAL A 478 -1.965 18.585 5.250 1.00 20.00 C ATOM 0 H VAL A 478 -0.212 15.533 5.076 1.00 20.00 H new ATOM 0 HA VAL A 478 -3.029 16.144 4.437 1.00 20.00 H new ATOM 0 HB VAL A 478 -0.657 17.824 3.701 1.00 20.00 H new ATOM 0 HG11 VAL A 478 -2.376 19.413 2.759 1.00 20.00 H new ATOM 0 HG12 VAL A 478 -2.394 17.836 1.934 1.00 20.00 H new ATOM 0 HG13 VAL A 478 -3.644 18.223 3.139 1.00 20.00 H new ATOM 0 HG21 VAL A 478 -1.766 19.637 5.047 1.00 20.00 H new ATOM 0 HG22 VAL A 478 -3.004 18.465 5.558 1.00 20.00 H new ATOM 0 HG23 VAL A 478 -1.308 18.239 6.048 1.00 20.00 H new ATOM 1174 N LEU A 479 -2.706 15.158 2.141 1.00 20.00 N ATOM 1175 CA LEU A 479 -2.648 14.487 0.837 1.00 20.00 C ATOM 1176 C LEU A 479 -3.581 15.207 -0.163 1.00 20.00 C ATOM 1177 O LEU A 479 -4.660 15.654 0.246 1.00 20.00 O ATOM 1178 CB LEU A 479 -3.074 13.014 1.002 1.00 20.00 C ATOM 1179 CG LEU A 479 -2.105 12.108 1.785 1.00 20.00 C ATOM 1180 CD1 LEU A 479 -2.709 10.710 1.921 1.00 20.00 C ATOM 1181 CD2 LEU A 479 -0.750 11.966 1.090 1.00 20.00 C ATOM 0 H LEU A 479 -3.662 15.383 2.416 1.00 20.00 H new ATOM 0 HA LEU A 479 -1.629 14.523 0.451 1.00 20.00 H new ATOM 0 HB2 LEU A 479 -4.043 12.992 1.501 1.00 20.00 H new ATOM 0 HB3 LEU A 479 -3.217 12.586 0.010 1.00 20.00 H new ATOM 0 HG LEU A 479 -1.951 12.575 2.758 1.00 20.00 H new ATOM 0 HD11 LEU A 479 -2.023 10.070 2.475 1.00 20.00 H new ATOM 0 HD12 LEU A 479 -3.657 10.774 2.455 1.00 20.00 H new ATOM 0 HD13 LEU A 479 -2.878 10.289 0.930 1.00 20.00 H new ATOM 0 HD21 LEU A 479 -0.104 11.318 1.682 1.00 20.00 H new ATOM 0 HD22 LEU A 479 -0.892 11.531 0.101 1.00 20.00 H new ATOM 0 HD23 LEU A 479 -0.287 12.948 0.991 1.00 20.00 H new ATOM 1193 N PRO A 480 -3.214 15.330 -1.454 1.00 20.00 N ATOM 1194 CA PRO A 480 -4.036 16.028 -2.445 1.00 20.00 C ATOM 1195 C PRO A 480 -5.319 15.256 -2.791 1.00 20.00 C ATOM 1196 O PRO A 480 -5.298 14.048 -3.038 1.00 20.00 O ATOM 1197 CB PRO A 480 -3.133 16.238 -3.664 1.00 20.00 C ATOM 1198 CG PRO A 480 -2.099 15.119 -3.556 1.00 20.00 C ATOM 1199 CD PRO A 480 -1.957 14.897 -2.050 1.00 20.00 C ATOM 0 HA PRO A 480 -4.394 16.981 -2.055 1.00 20.00 H new ATOM 0 HB2 PRO A 480 -3.697 16.172 -4.594 1.00 20.00 H new ATOM 0 HB3 PRO A 480 -2.661 17.220 -3.647 1.00 20.00 H new ATOM 0 HG2 PRO A 480 -2.434 14.215 -4.064 1.00 20.00 H new ATOM 0 HG3 PRO A 480 -1.150 15.406 -4.009 1.00 20.00 H new ATOM 0 HD2 PRO A 480 -1.762 13.848 -1.828 1.00 20.00 H new ATOM 0 HD3 PRO A 480 -1.119 15.468 -1.650 1.00 20.00 H new