USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 458 CYS SG : rot -172:sc= -0.251 USER MOD Set 1.2: A 464 CYS SG : rot -161:sc= 0.207 USER MOD Set 1.3: A 469 CYS SG : rot -139:sc= 0.121 USER MOD Set 1.4: A 473 HIS : no HE2:sc= -0.578 K(o=-0.5,f=0.1) USER MOD Set 2.1: A 437 CYS SG : rot 129:sc= 0.0391 USER MOD Set 2.2: A 443 CYS SG : rot 153:sc= 1.4 USER MOD Set 2.3: A 448 CYS SG : rot 147:sc= 1.68 USER MOD Set 2.4: A 452 HIS : no HD1:sc= -5.14! K(o=-2!,f=-0.61) USER MOD Set 3.1: A 433 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 434 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-1.9) USER MOD Set 4.1: A 415 CYS SG : rot 131:sc= 0.359 USER MOD Set 4.2: A 421 CYS SG : rot 132:sc= 0.27 USER MOD Set 4.3: A 423 ASN : amide:sc= 2.07 K(o=0.3,f=-5.6!) USER MOD Set 4.4: A 426 CYS SG : rot 158:sc= 1.23 USER MOD Set 4.5: A 430 HIS : no HE2:sc= -3.63 K(o=0.3,f=2.4) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= 0.00978 USER MOD Single : A 414 GLN : amide:sc= 0.945 K(o=0.95,f=-6!) USER MOD Single : A 416 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.07) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.0048) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 436 MET CE :methyl -179:sc= 0 (180deg=-0.000139) USER MOD Single : A 442 ASN : amide:sc= 0.765 K(o=0.76,f=0) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 463 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 465 LYS NZ :NH3+ 173:sc= 0.725 (180deg=0.642) USER MOD Single : A 466 ASN : amide:sc= 0.038 K(o=0.038,f=-5.2!) USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 409 -0.147 -16.094 -5.167 1.00 20.00 N ATOM 62 CA GLU A 409 -0.186 -14.753 -4.558 1.00 20.00 C ATOM 63 C GLU A 409 -1.299 -14.602 -3.505 1.00 20.00 C ATOM 64 O GLU A 409 -2.006 -13.591 -3.436 1.00 20.00 O ATOM 65 CB GLU A 409 -0.309 -13.642 -5.597 1.00 20.00 C ATOM 66 CG GLU A 409 0.516 -13.727 -6.877 1.00 20.00 C ATOM 67 CD GLU A 409 0.328 -12.449 -7.734 1.00 20.00 C ATOM 68 OE1 GLU A 409 -0.569 -11.614 -7.439 1.00 20.00 O ATOM 69 OE2 GLU A 409 1.083 -12.275 -8.721 1.00 20.00 O ATOM 0 HA GLU A 409 0.774 -14.649 -4.051 1.00 20.00 H new ATOM 0 HB2 GLU A 409 -1.358 -13.578 -5.886 1.00 20.00 H new ATOM 0 HB3 GLU A 409 -0.056 -12.703 -5.105 1.00 20.00 H new ATOM 0 HG2 GLU A 409 1.570 -13.853 -6.629 1.00 20.00 H new ATOM 0 HG3 GLU A 409 0.217 -14.604 -7.451 1.00 20.00 H new ATOM 76 N LYS A 410 -1.495 -15.663 -2.723 1.00 20.00 N ATOM 77 CA LYS A 410 -2.714 -15.977 -1.970 1.00 20.00 C ATOM 78 C LYS A 410 -2.761 -15.312 -0.596 1.00 20.00 C ATOM 79 O LYS A 410 -3.654 -15.585 0.208 1.00 20.00 O ATOM 80 CB LYS A 410 -2.846 -17.511 -1.897 1.00 20.00 C ATOM 81 CG LYS A 410 -4.281 -18.038 -1.736 1.00 20.00 C ATOM 82 CD LYS A 410 -5.118 -17.897 -3.020 1.00 20.00 C ATOM 83 CE LYS A 410 -6.562 -18.390 -2.837 1.00 20.00 C ATOM 84 NZ LYS A 410 -6.645 -19.865 -2.664 1.00 20.00 N ATOM 0 H LYS A 410 -0.769 -16.367 -2.589 1.00 20.00 H new ATOM 0 HA LYS A 410 -3.575 -15.560 -2.493 1.00 20.00 H new ATOM 0 HB2 LYS A 410 -2.418 -17.940 -2.803 1.00 20.00 H new ATOM 0 HB3 LYS A 410 -2.248 -17.872 -1.060 1.00 20.00 H new ATOM 0 HG2 LYS A 410 -4.247 -19.088 -1.444 1.00 20.00 H new ATOM 0 HG3 LYS A 410 -4.772 -17.498 -0.927 1.00 20.00 H new ATOM 0 HD2 LYS A 410 -5.131 -16.852 -3.329 1.00 20.00 H new ATOM 0 HD3 LYS A 410 -4.644 -18.461 -3.823 1.00 20.00 H new ATOM 0 HE2 LYS A 410 -7.002 -17.901 -1.968 1.00 20.00 H new ATOM 0 HE3 LYS A 410 -7.155 -18.095 -3.703 1.00 20.00 H new ATOM 0 HZ1 LYS A 410 -7.639 -20.145 -2.545 1.00 20.00 H new ATOM 0 HZ2 LYS A 410 -6.251 -20.336 -3.504 1.00 20.00 H new ATOM 0 HZ3 LYS A 410 -6.103 -20.147 -1.823 1.00 20.00 H new ATOM 98 N SER A 411 -1.806 -14.429 -0.330 1.00 20.00 N ATOM 99 CA SER A 411 -1.812 -13.579 0.847 1.00 20.00 C ATOM 100 C SER A 411 -2.599 -12.285 0.611 1.00 20.00 C ATOM 101 O SER A 411 -2.512 -11.673 -0.457 1.00 20.00 O ATOM 102 CB SER A 411 -0.397 -13.281 1.326 1.00 20.00 C ATOM 103 OG SER A 411 -0.463 -12.682 2.610 1.00 20.00 O ATOM 0 H SER A 411 -0.998 -14.284 -0.935 1.00 20.00 H new ATOM 0 HA SER A 411 -2.322 -14.131 1.637 1.00 20.00 H new ATOM 0 HB2 SER A 411 0.188 -14.200 1.368 1.00 20.00 H new ATOM 0 HB3 SER A 411 0.106 -12.615 0.625 1.00 20.00 H new ATOM 0 HG SER A 411 0.444 -12.488 2.927 1.00 20.00 H new ATOM 109 N LEU A 412 -3.344 -11.854 1.632 1.00 20.00 N ATOM 110 CA LEU A 412 -4.019 -10.547 1.684 1.00 20.00 C ATOM 111 C LEU A 412 -3.096 -9.422 2.191 1.00 20.00 C ATOM 112 O LEU A 412 -3.416 -8.242 2.041 1.00 20.00 O ATOM 113 CB LEU A 412 -5.288 -10.670 2.551 1.00 20.00 C ATOM 114 CG LEU A 412 -6.388 -11.548 1.926 1.00 20.00 C ATOM 115 CD1 LEU A 412 -7.470 -11.855 2.961 1.00 20.00 C ATOM 116 CD2 LEU A 412 -7.057 -10.866 0.730 1.00 20.00 C ATOM 0 H LEU A 412 -3.501 -12.416 2.469 1.00 20.00 H new ATOM 0 HA LEU A 412 -4.297 -10.265 0.669 1.00 20.00 H new ATOM 0 HB2 LEU A 412 -5.014 -11.084 3.522 1.00 20.00 H new ATOM 0 HB3 LEU A 412 -5.691 -9.673 2.731 1.00 20.00 H new ATOM 0 HG LEU A 412 -5.904 -12.464 1.587 1.00 20.00 H new ATOM 0 HD11 LEU A 412 -8.242 -12.476 2.507 1.00 20.00 H new ATOM 0 HD12 LEU A 412 -7.027 -12.385 3.804 1.00 20.00 H new ATOM 0 HD13 LEU A 412 -7.914 -10.923 3.311 1.00 20.00 H new ATOM 0 HD21 LEU A 412 -7.826 -11.521 0.321 1.00 20.00 H new ATOM 0 HD22 LEU A 412 -7.512 -9.930 1.053 1.00 20.00 H new ATOM 0 HD23 LEU A 412 -6.310 -10.661 -0.037 1.00 20.00 H new ATOM 128 N GLU A 413 -1.938 -9.775 2.756 1.00 20.00 N ATOM 129 CA GLU A 413 -0.863 -8.827 3.066 1.00 20.00 C ATOM 130 C GLU A 413 -0.203 -8.310 1.777 1.00 20.00 C ATOM 131 O GLU A 413 -0.293 -8.930 0.715 1.00 20.00 O ATOM 132 CB GLU A 413 0.156 -9.498 3.996 1.00 20.00 C ATOM 133 CG GLU A 413 1.140 -8.536 4.673 1.00 20.00 C ATOM 134 CD GLU A 413 1.874 -9.228 5.840 1.00 20.00 C ATOM 135 OE1 GLU A 413 2.922 -9.877 5.609 1.00 20.00 O ATOM 136 OE2 GLU A 413 1.408 -9.120 7.001 1.00 20.00 O ATOM 0 H GLU A 413 -1.718 -10.737 3.014 1.00 20.00 H new ATOM 0 HA GLU A 413 -1.280 -7.961 3.580 1.00 20.00 H new ATOM 0 HB2 GLU A 413 -0.384 -10.046 4.768 1.00 20.00 H new ATOM 0 HB3 GLU A 413 0.723 -10.231 3.422 1.00 20.00 H new ATOM 0 HG2 GLU A 413 1.866 -8.179 3.943 1.00 20.00 H new ATOM 0 HG3 GLU A 413 0.604 -7.662 5.043 1.00 20.00 H new ATOM 143 N GLN A 414 0.467 -7.165 1.876 1.00 20.00 N ATOM 144 CA GLN A 414 1.014 -6.421 0.736 1.00 20.00 C ATOM 145 C GLN A 414 2.544 -6.303 0.777 1.00 20.00 C ATOM 146 O GLN A 414 3.146 -6.048 1.822 1.00 20.00 O ATOM 147 CB GLN A 414 0.282 -5.075 0.609 1.00 20.00 C ATOM 148 CG GLN A 414 0.714 -4.210 -0.587 1.00 20.00 C ATOM 149 CD GLN A 414 -0.404 -3.317 -1.113 1.00 20.00 C ATOM 150 OE1 GLN A 414 -0.505 -2.137 -0.819 1.00 20.00 O ATOM 151 NE2 GLN A 414 -1.287 -3.844 -1.935 1.00 20.00 N ATOM 0 H GLN A 414 0.651 -6.714 2.772 1.00 20.00 H new ATOM 0 HA GLN A 414 0.827 -6.985 -0.178 1.00 20.00 H new ATOM 0 HB2 GLN A 414 -0.788 -5.267 0.532 1.00 20.00 H new ATOM 0 HB3 GLN A 414 0.439 -4.506 1.525 1.00 20.00 H new ATOM 0 HG2 GLN A 414 1.559 -3.588 -0.292 1.00 20.00 H new ATOM 0 HG3 GLN A 414 1.061 -4.859 -1.391 1.00 20.00 H new ATOM 0 HE21 GLN A 414 -1.220 -4.829 -2.193 1.00 20.00 H new ATOM 0 HE22 GLN A 414 -2.038 -3.268 -2.314 1.00 20.00 H new ATOM 160 N CYS A 415 3.149 -6.484 -0.396 1.00 20.00 N ATOM 161 CA CYS A 415 4.559 -6.265 -0.689 1.00 20.00 C ATOM 162 C CYS A 415 5.032 -4.821 -0.458 1.00 20.00 C ATOM 163 O CYS A 415 4.283 -3.854 -0.621 1.00 20.00 O ATOM 164 CB CYS A 415 4.780 -6.687 -2.129 1.00 20.00 C ATOM 165 SG CYS A 415 6.545 -7.095 -2.398 1.00 20.00 S ATOM 0 H CYS A 415 2.634 -6.807 -1.215 1.00 20.00 H new ATOM 0 HA CYS A 415 5.156 -6.858 0.004 1.00 20.00 H new ATOM 0 HB2 CYS A 415 4.159 -7.552 -2.363 1.00 20.00 H new ATOM 0 HB3 CYS A 415 4.477 -5.885 -2.802 1.00 20.00 H new ATOM 0 HG CYS A 415 6.638 -8.245 -2.997 1.00 20.00 H new ATOM 170 N LYS A 416 6.320 -4.690 -0.129 1.00 20.00 N ATOM 171 CA LYS A 416 6.961 -3.443 0.308 1.00 20.00 C ATOM 172 C LYS A 416 7.337 -2.488 -0.840 1.00 20.00 C ATOM 173 O LYS A 416 7.700 -1.343 -0.577 1.00 20.00 O ATOM 174 CB LYS A 416 8.173 -3.815 1.185 1.00 20.00 C ATOM 175 CG LYS A 416 8.472 -2.744 2.242 1.00 20.00 C ATOM 176 CD LYS A 416 9.784 -2.980 3.004 1.00 20.00 C ATOM 177 CE LYS A 416 9.858 -4.325 3.736 1.00 20.00 C ATOM 178 NZ LYS A 416 8.863 -4.418 4.838 1.00 20.00 N ATOM 0 H LYS A 416 6.969 -5.476 -0.160 1.00 20.00 H new ATOM 0 HA LYS A 416 6.237 -2.869 0.886 1.00 20.00 H new ATOM 0 HB2 LYS A 416 7.983 -4.768 1.679 1.00 20.00 H new ATOM 0 HB3 LYS A 416 9.049 -3.953 0.552 1.00 20.00 H new ATOM 0 HG2 LYS A 416 8.514 -1.769 1.757 1.00 20.00 H new ATOM 0 HG3 LYS A 416 7.649 -2.710 2.955 1.00 20.00 H new ATOM 0 HD2 LYS A 416 10.615 -2.917 2.301 1.00 20.00 H new ATOM 0 HD3 LYS A 416 9.918 -2.178 3.729 1.00 20.00 H new ATOM 0 HE2 LYS A 416 9.688 -5.134 3.025 1.00 20.00 H new ATOM 0 HE3 LYS A 416 10.861 -4.462 4.141 1.00 20.00 H new ATOM 0 HZ1 LYS A 416 9.036 -5.282 5.390 1.00 20.00 H new ATOM 0 HZ2 LYS A 416 8.952 -3.587 5.457 1.00 20.00 H new ATOM 0 HZ3 LYS A 416 7.904 -4.450 4.438 1.00 20.00 H new ATOM 192 N PHE A 417 7.252 -2.931 -2.100 1.00 20.00 N ATOM 193 CA PHE A 417 7.745 -2.178 -3.264 1.00 20.00 C ATOM 194 C PHE A 417 6.694 -1.875 -4.354 1.00 20.00 C ATOM 195 O PHE A 417 6.991 -1.102 -5.265 1.00 20.00 O ATOM 196 CB PHE A 417 8.982 -2.906 -3.815 1.00 20.00 C ATOM 197 CG PHE A 417 10.203 -2.814 -2.912 1.00 20.00 C ATOM 198 CD1 PHE A 417 10.426 -3.758 -1.887 1.00 20.00 C ATOM 199 CD2 PHE A 417 11.121 -1.761 -3.093 1.00 20.00 C ATOM 200 CE1 PHE A 417 11.559 -3.651 -1.060 1.00 20.00 C ATOM 201 CE2 PHE A 417 12.258 -1.658 -2.270 1.00 20.00 C ATOM 202 CZ PHE A 417 12.477 -2.604 -1.253 1.00 20.00 C ATOM 0 H PHE A 417 6.836 -3.830 -2.345 1.00 20.00 H new ATOM 0 HA PHE A 417 8.012 -1.179 -2.918 1.00 20.00 H new ATOM 0 HB2 PHE A 417 8.735 -3.956 -3.970 1.00 20.00 H new ATOM 0 HB3 PHE A 417 9.232 -2.490 -4.791 1.00 20.00 H new ATOM 0 HD1 PHE A 417 9.724 -4.565 -1.737 1.00 20.00 H new ATOM 0 HD2 PHE A 417 10.951 -1.028 -3.868 1.00 20.00 H new ATOM 0 HE1 PHE A 417 11.724 -4.375 -0.275 1.00 20.00 H new ATOM 0 HE2 PHE A 417 12.962 -0.853 -2.420 1.00 20.00 H new ATOM 0 HZ PHE A 417 13.349 -2.526 -0.621 1.00 20.00 H new ATOM 212 N GLY A 418 5.463 -2.400 -4.267 1.00 20.00 N ATOM 213 CA GLY A 418 4.359 -2.049 -5.182 1.00 20.00 C ATOM 214 C GLY A 418 4.698 -2.213 -6.674 1.00 20.00 C ATOM 215 O GLY A 418 5.173 -3.269 -7.094 1.00 20.00 O ATOM 0 H GLY A 418 5.201 -3.084 -3.557 1.00 20.00 H new ATOM 0 HA2 GLY A 418 3.496 -2.671 -4.947 1.00 20.00 H new ATOM 0 HA3 GLY A 418 4.066 -1.015 -4.999 1.00 20.00 H new ATOM 219 N THR A 419 4.492 -1.161 -7.475 1.00 20.00 N ATOM 220 CA THR A 419 4.882 -1.096 -8.903 1.00 20.00 C ATOM 221 C THR A 419 6.388 -1.267 -9.141 1.00 20.00 C ATOM 222 O THR A 419 6.794 -1.726 -10.212 1.00 20.00 O ATOM 223 CB THR A 419 4.484 0.251 -9.532 1.00 20.00 C ATOM 224 OG1 THR A 419 4.941 1.323 -8.732 1.00 20.00 O ATOM 225 CG2 THR A 419 2.974 0.407 -9.689 1.00 20.00 C ATOM 0 H THR A 419 4.039 -0.307 -7.148 1.00 20.00 H new ATOM 0 HA THR A 419 4.351 -1.928 -9.365 1.00 20.00 H new ATOM 0 HB THR A 419 4.946 0.268 -10.519 1.00 20.00 H new ATOM 0 HG1 THR A 419 4.682 2.173 -9.145 1.00 20.00 H new ATOM 0 HG21 THR A 419 2.753 1.376 -10.138 1.00 20.00 H new ATOM 0 HG22 THR A 419 2.591 -0.386 -10.331 1.00 20.00 H new ATOM 0 HG23 THR A 419 2.498 0.343 -8.711 1.00 20.00 H new ATOM 233 N HIS A 420 7.226 -0.925 -8.155 1.00 20.00 N ATOM 234 CA HIS A 420 8.689 -1.048 -8.196 1.00 20.00 C ATOM 235 C HIS A 420 9.193 -2.436 -7.748 1.00 20.00 C ATOM 236 O HIS A 420 10.403 -2.671 -7.739 1.00 20.00 O ATOM 237 CB HIS A 420 9.304 0.098 -7.373 1.00 20.00 C ATOM 238 CG HIS A 420 10.753 0.389 -7.691 1.00 20.00 C ATOM 239 ND1 HIS A 420 11.205 1.195 -8.741 1.00 20.00 N ATOM 240 CD2 HIS A 420 11.833 -0.075 -6.997 1.00 20.00 C ATOM 241 CE1 HIS A 420 12.548 1.193 -8.657 1.00 20.00 C ATOM 242 NE2 HIS A 420 12.950 0.438 -7.620 1.00 20.00 N ATOM 0 H HIS A 420 6.891 -0.540 -7.272 1.00 20.00 H new ATOM 0 HA HIS A 420 9.017 -0.962 -9.232 1.00 20.00 H new ATOM 0 HB2 HIS A 420 8.720 1.003 -7.540 1.00 20.00 H new ATOM 0 HB3 HIS A 420 9.219 -0.146 -6.314 1.00 20.00 H new ATOM 0 HD2 HIS A 420 11.815 -0.718 -6.130 1.00 20.00 H new ATOM 0 HE1 HIS A 420 13.209 1.723 -9.327 1.00 20.00 H new ATOM 0 HE2 HIS A 420 13.917 0.273 -7.342 1.00 20.00 H new ATOM 250 N CYS A 421 8.297 -3.369 -7.393 1.00 20.00 N ATOM 251 CA CYS A 421 8.682 -4.742 -7.074 1.00 20.00 C ATOM 252 C CYS A 421 9.294 -5.448 -8.306 1.00 20.00 C ATOM 253 O CYS A 421 8.835 -5.268 -9.441 1.00 20.00 O ATOM 254 CB CYS A 421 7.511 -5.521 -6.488 1.00 20.00 C ATOM 255 SG CYS A 421 8.216 -7.078 -5.824 1.00 20.00 S ATOM 0 H CYS A 421 7.295 -3.191 -7.321 1.00 20.00 H new ATOM 0 HA CYS A 421 9.456 -4.708 -6.307 1.00 20.00 H new ATOM 0 HB2 CYS A 421 7.018 -4.950 -5.701 1.00 20.00 H new ATOM 0 HB3 CYS A 421 6.760 -5.727 -7.250 1.00 20.00 H new ATOM 0 HG CYS A 421 7.764 -7.281 -4.622 1.00 20.00 H new ATOM 260 N THR A 422 10.330 -6.255 -8.081 1.00 20.00 N ATOM 261 CA THR A 422 11.129 -6.935 -9.116 1.00 20.00 C ATOM 262 C THR A 422 10.935 -8.456 -9.155 1.00 20.00 C ATOM 263 O THR A 422 11.566 -9.125 -9.978 1.00 20.00 O ATOM 264 CB THR A 422 12.621 -6.592 -8.957 1.00 20.00 C ATOM 265 OG1 THR A 422 13.075 -6.956 -7.666 1.00 20.00 O ATOM 266 CG2 THR A 422 12.890 -5.097 -9.143 1.00 20.00 C ATOM 0 H THR A 422 10.654 -6.466 -7.137 1.00 20.00 H new ATOM 0 HA THR A 422 10.761 -6.559 -10.071 1.00 20.00 H new ATOM 0 HB THR A 422 13.152 -7.150 -9.728 1.00 20.00 H new ATOM 0 HG1 THR A 422 14.026 -6.734 -7.579 1.00 20.00 H new ATOM 0 HG21 THR A 422 13.955 -4.901 -9.022 1.00 20.00 H new ATOM 0 HG22 THR A 422 12.576 -4.792 -10.141 1.00 20.00 H new ATOM 0 HG23 THR A 422 12.330 -4.531 -8.398 1.00 20.00 H new ATOM 274 N ASN A 423 10.074 -9.032 -8.303 1.00 20.00 N ATOM 275 CA ASN A 423 9.926 -10.479 -8.132 1.00 20.00 C ATOM 276 C ASN A 423 8.547 -10.976 -8.608 1.00 20.00 C ATOM 277 O ASN A 423 7.513 -10.407 -8.247 1.00 20.00 O ATOM 278 CB ASN A 423 10.192 -10.789 -6.649 1.00 20.00 C ATOM 279 CG ASN A 423 10.068 -12.261 -6.312 1.00 20.00 C ATOM 280 OD1 ASN A 423 10.592 -13.129 -6.999 1.00 20.00 O ATOM 281 ND2 ASN A 423 9.353 -12.597 -5.269 1.00 20.00 N ATOM 0 H ASN A 423 9.450 -8.492 -7.703 1.00 20.00 H new ATOM 0 HA ASN A 423 10.643 -11.015 -8.754 1.00 20.00 H new ATOM 0 HB2 ASN A 423 11.193 -10.447 -6.388 1.00 20.00 H new ATOM 0 HB3 ASN A 423 9.491 -10.223 -6.035 1.00 20.00 H new ATOM 0 HD21 ASN A 423 9.233 -13.581 -5.029 1.00 20.00 H new ATOM 0 HD22 ASN A 423 8.916 -11.875 -4.696 1.00 20.00 H new ATOM 288 N LYS A 424 8.524 -12.076 -9.376 1.00 20.00 N ATOM 289 CA LYS A 424 7.290 -12.727 -9.872 1.00 20.00 C ATOM 290 C LYS A 424 6.765 -13.841 -8.952 1.00 20.00 C ATOM 291 O LYS A 424 5.645 -14.318 -9.133 1.00 20.00 O ATOM 292 CB LYS A 424 7.506 -13.232 -11.313 1.00 20.00 C ATOM 293 CG LYS A 424 7.773 -12.077 -12.297 1.00 20.00 C ATOM 294 CD LYS A 424 7.809 -12.528 -13.765 1.00 20.00 C ATOM 295 CE LYS A 424 8.980 -13.478 -14.058 1.00 20.00 C ATOM 296 NZ LYS A 424 9.033 -13.849 -15.497 1.00 20.00 N ATOM 0 H LYS A 424 9.375 -12.551 -9.678 1.00 20.00 H new ATOM 0 HA LYS A 424 6.507 -11.968 -9.871 1.00 20.00 H new ATOM 0 HB2 LYS A 424 8.347 -13.925 -11.332 1.00 20.00 H new ATOM 0 HB3 LYS A 424 6.627 -13.788 -11.638 1.00 20.00 H new ATOM 0 HG2 LYS A 424 6.999 -11.319 -12.176 1.00 20.00 H new ATOM 0 HG3 LYS A 424 8.723 -11.606 -12.045 1.00 20.00 H new ATOM 0 HD2 LYS A 424 6.871 -13.025 -14.012 1.00 20.00 H new ATOM 0 HD3 LYS A 424 7.885 -11.652 -14.409 1.00 20.00 H new ATOM 0 HE2 LYS A 424 9.917 -13.002 -13.769 1.00 20.00 H new ATOM 0 HE3 LYS A 424 8.880 -14.379 -13.452 1.00 20.00 H new ATOM 0 HZ1 LYS A 424 9.835 -14.491 -15.661 1.00 20.00 H new ATOM 0 HZ2 LYS A 424 8.148 -14.325 -15.766 1.00 20.00 H new ATOM 0 HZ3 LYS A 424 9.153 -12.991 -16.072 1.00 20.00 H new ATOM 310 N ARG A 425 7.561 -14.239 -7.953 1.00 20.00 N ATOM 311 CA ARG A 425 7.276 -15.312 -6.973 1.00 20.00 C ATOM 312 C ARG A 425 6.615 -14.800 -5.681 1.00 20.00 C ATOM 313 O ARG A 425 6.374 -15.585 -4.761 1.00 20.00 O ATOM 314 CB ARG A 425 8.581 -16.076 -6.670 1.00 20.00 C ATOM 315 CG ARG A 425 9.246 -16.706 -7.913 1.00 20.00 C ATOM 316 CD ARG A 425 10.722 -17.047 -7.665 1.00 20.00 C ATOM 317 NE ARG A 425 11.523 -15.821 -7.470 1.00 20.00 N ATOM 318 CZ ARG A 425 12.832 -15.712 -7.374 1.00 20.00 C ATOM 319 NH1 ARG A 425 13.632 -16.737 -7.463 1.00 20.00 N ATOM 320 NH2 ARG A 425 13.353 -14.536 -7.182 1.00 20.00 N ATOM 0 H ARG A 425 8.469 -13.804 -7.792 1.00 20.00 H new ATOM 0 HA ARG A 425 6.546 -15.986 -7.422 1.00 20.00 H new ATOM 0 HB2 ARG A 425 9.288 -15.393 -6.200 1.00 20.00 H new ATOM 0 HB3 ARG A 425 8.369 -16.863 -5.946 1.00 20.00 H new ATOM 0 HG2 ARG A 425 8.707 -17.611 -8.193 1.00 20.00 H new ATOM 0 HG3 ARG A 425 9.170 -16.016 -8.754 1.00 20.00 H new ATOM 0 HD2 ARG A 425 10.809 -17.686 -6.786 1.00 20.00 H new ATOM 0 HD3 ARG A 425 11.115 -17.612 -8.510 1.00 20.00 H new ATOM 0 HE ARG A 425 10.996 -14.950 -7.401 1.00 20.00 H new ATOM 0 HH11 ARG A 425 13.250 -17.671 -7.613 1.00 20.00 H new ATOM 0 HH12 ARG A 425 14.640 -16.605 -7.383 1.00 20.00 H new ATOM 0 HH21 ARG A 425 12.750 -13.717 -7.108 1.00 20.00 H new ATOM 0 HH22 ARG A 425 14.365 -14.433 -7.105 1.00 20.00 H new ATOM 334 N CYS A 426 6.350 -13.494 -5.598 1.00 20.00 N ATOM 335 CA CYS A 426 5.812 -12.833 -4.427 1.00 20.00 C ATOM 336 C CYS A 426 4.415 -13.360 -4.067 1.00 20.00 C ATOM 337 O CYS A 426 3.505 -13.382 -4.898 1.00 20.00 O ATOM 338 CB CYS A 426 5.792 -11.357 -4.714 1.00 20.00 C ATOM 339 SG CYS A 426 7.281 -10.478 -4.183 1.00 20.00 S ATOM 0 H CYS A 426 6.513 -12.854 -6.375 1.00 20.00 H new ATOM 0 HA CYS A 426 6.438 -13.040 -3.559 1.00 20.00 H new ATOM 0 HB2 CYS A 426 5.659 -11.208 -5.786 1.00 20.00 H new ATOM 0 HB3 CYS A 426 4.927 -10.914 -4.221 1.00 20.00 H new ATOM 0 HG CYS A 426 7.399 -9.375 -4.861 1.00 20.00 H new ATOM 344 N LYS A 427 4.234 -13.718 -2.795 1.00 20.00 N ATOM 345 CA LYS A 427 2.967 -14.239 -2.265 1.00 20.00 C ATOM 346 C LYS A 427 1.912 -13.157 -2.013 1.00 20.00 C ATOM 347 O LYS A 427 0.810 -13.496 -1.583 1.00 20.00 O ATOM 348 CB LYS A 427 3.214 -15.070 -0.991 1.00 20.00 C ATOM 349 CG LYS A 427 4.264 -16.180 -1.167 1.00 20.00 C ATOM 350 CD LYS A 427 4.417 -16.990 0.130 1.00 20.00 C ATOM 351 CE LYS A 427 5.607 -17.957 0.078 1.00 20.00 C ATOM 352 NZ LYS A 427 5.407 -19.059 -0.902 1.00 20.00 N ATOM 0 H LYS A 427 4.971 -13.655 -2.093 1.00 20.00 H new ATOM 0 HA LYS A 427 2.555 -14.882 -3.042 1.00 20.00 H new ATOM 0 HB2 LYS A 427 3.534 -14.403 -0.190 1.00 20.00 H new ATOM 0 HB3 LYS A 427 2.273 -15.520 -0.674 1.00 20.00 H new ATOM 0 HG2 LYS A 427 3.969 -16.841 -1.982 1.00 20.00 H new ATOM 0 HG3 LYS A 427 5.223 -15.741 -1.443 1.00 20.00 H new ATOM 0 HD2 LYS A 427 4.544 -16.306 0.969 1.00 20.00 H new ATOM 0 HD3 LYS A 427 3.502 -17.553 0.314 1.00 20.00 H new ATOM 0 HE2 LYS A 427 6.509 -17.403 -0.183 1.00 20.00 H new ATOM 0 HE3 LYS A 427 5.769 -18.382 1.069 1.00 20.00 H new ATOM 0 HZ1 LYS A 427 6.239 -19.683 -0.897 1.00 20.00 H new ATOM 0 HZ2 LYS A 427 4.562 -19.607 -0.641 1.00 20.00 H new ATOM 0 HZ3 LYS A 427 5.280 -18.659 -1.853 1.00 20.00 H new ATOM 366 N TYR A 428 2.220 -11.877 -2.242 1.00 20.00 N ATOM 367 CA TYR A 428 1.545 -10.766 -1.597 1.00 20.00 C ATOM 368 C TYR A 428 0.785 -9.929 -2.616 1.00 20.00 C ATOM 369 O TYR A 428 1.021 -10.004 -3.827 1.00 20.00 O ATOM 370 CB TYR A 428 2.616 -9.960 -0.843 1.00 20.00 C ATOM 371 CG TYR A 428 3.428 -10.825 0.104 1.00 20.00 C ATOM 372 CD1 TYR A 428 2.900 -11.150 1.364 1.00 20.00 C ATOM 373 CD2 TYR A 428 4.640 -11.406 -0.323 1.00 20.00 C ATOM 374 CE1 TYR A 428 3.579 -12.052 2.205 1.00 20.00 C ATOM 375 CE2 TYR A 428 5.300 -12.343 0.495 1.00 20.00 C ATOM 376 CZ TYR A 428 4.778 -12.659 1.769 1.00 20.00 C ATOM 377 OH TYR A 428 5.411 -13.559 2.571 1.00 20.00 O ATOM 0 H TYR A 428 2.954 -11.589 -2.889 1.00 20.00 H new ATOM 0 HA TYR A 428 0.794 -11.116 -0.889 1.00 20.00 H new ATOM 0 HB2 TYR A 428 3.284 -9.486 -1.562 1.00 20.00 H new ATOM 0 HB3 TYR A 428 2.136 -9.160 -0.279 1.00 20.00 H new ATOM 0 HD1 TYR A 428 1.970 -10.707 1.689 1.00 20.00 H new ATOM 0 HD2 TYR A 428 5.062 -11.132 -1.278 1.00 20.00 H new ATOM 0 HE1 TYR A 428 3.183 -12.280 3.184 1.00 20.00 H new ATOM 0 HE2 TYR A 428 6.205 -12.820 0.149 1.00 20.00 H new ATOM 0 HH TYR A 428 6.220 -13.884 2.123 1.00 20.00 H new ATOM 387 N ARG A 429 -0.102 -9.079 -2.109 1.00 20.00 N ATOM 388 CA ARG A 429 -0.681 -7.989 -2.895 1.00 20.00 C ATOM 389 C ARG A 429 0.425 -7.014 -3.302 1.00 20.00 C ATOM 390 O ARG A 429 1.401 -6.851 -2.579 1.00 20.00 O ATOM 391 CB ARG A 429 -1.848 -7.346 -2.117 1.00 20.00 C ATOM 392 CG ARG A 429 -2.927 -8.331 -1.612 1.00 20.00 C ATOM 393 CD ARG A 429 -3.817 -8.954 -2.698 1.00 20.00 C ATOM 394 NE ARG A 429 -3.150 -10.069 -3.393 1.00 20.00 N ATOM 395 CZ ARG A 429 -2.733 -10.110 -4.648 1.00 20.00 C ATOM 396 NH1 ARG A 429 -2.875 -9.122 -5.492 1.00 20.00 N ATOM 397 NH2 ARG A 429 -2.117 -11.168 -5.067 1.00 20.00 N ATOM 0 H ARG A 429 -0.440 -9.123 -1.148 1.00 20.00 H new ATOM 0 HA ARG A 429 -1.115 -8.359 -3.824 1.00 20.00 H new ATOM 0 HB2 ARG A 429 -1.440 -6.809 -1.261 1.00 20.00 H new ATOM 0 HB3 ARG A 429 -2.327 -6.606 -2.758 1.00 20.00 H new ATOM 0 HG2 ARG A 429 -2.433 -9.135 -1.067 1.00 20.00 H new ATOM 0 HG3 ARG A 429 -3.566 -7.809 -0.900 1.00 20.00 H new ATOM 0 HD2 ARG A 429 -4.742 -9.311 -2.246 1.00 20.00 H new ATOM 0 HD3 ARG A 429 -4.092 -8.188 -3.424 1.00 20.00 H new ATOM 0 HE ARG A 429 -2.990 -10.911 -2.840 1.00 20.00 H new ATOM 0 HH11 ARG A 429 -3.329 -8.258 -5.195 1.00 20.00 H new ATOM 0 HH12 ARG A 429 -2.532 -9.215 -6.448 1.00 20.00 H new ATOM 0 HH21 ARG A 429 -1.960 -11.952 -4.433 1.00 20.00 H new ATOM 0 HH22 ARG A 429 -1.788 -11.218 -6.031 1.00 20.00 H new ATOM 411 N HIS A 430 0.272 -6.356 -4.443 1.00 20.00 N ATOM 412 CA HIS A 430 1.158 -5.291 -4.919 1.00 20.00 C ATOM 413 C HIS A 430 0.298 -4.086 -5.343 1.00 20.00 C ATOM 414 O HIS A 430 -0.587 -4.235 -6.189 1.00 20.00 O ATOM 415 CB HIS A 430 2.029 -5.825 -6.079 1.00 20.00 C ATOM 416 CG HIS A 430 3.012 -6.932 -5.728 1.00 20.00 C ATOM 417 ND1 HIS A 430 2.845 -8.293 -5.914 1.00 20.00 N ATOM 418 CD2 HIS A 430 4.284 -6.768 -5.251 1.00 20.00 C ATOM 419 CE1 HIS A 430 3.975 -8.941 -5.558 1.00 20.00 C ATOM 420 NE2 HIS A 430 4.881 -8.025 -5.152 1.00 20.00 N ATOM 0 H HIS A 430 -0.495 -6.551 -5.086 1.00 20.00 H new ATOM 0 HA HIS A 430 1.834 -4.964 -4.129 1.00 20.00 H new ATOM 0 HB2 HIS A 430 1.367 -6.191 -6.864 1.00 20.00 H new ATOM 0 HB3 HIS A 430 2.590 -4.990 -6.499 1.00 20.00 H new ATOM 0 HD1 HIS A 430 1.998 -8.739 -6.266 1.00 20.00 H new ATOM 0 HD2 HIS A 430 4.747 -5.826 -4.995 1.00 20.00 H new ATOM 0 HE1 HIS A 430 4.128 -10.010 -5.592 1.00 20.00 H new ATOM 428 N ALA A 431 0.532 -2.896 -4.770 1.00 20.00 N ATOM 429 CA ALA A 431 -0.191 -1.678 -5.159 1.00 20.00 C ATOM 430 C ALA A 431 0.237 -1.248 -6.573 1.00 20.00 C ATOM 431 O ALA A 431 1.374 -0.816 -6.779 1.00 20.00 O ATOM 432 CB ALA A 431 0.028 -0.561 -4.125 1.00 20.00 C ATOM 0 H ALA A 431 1.221 -2.752 -4.031 1.00 20.00 H new ATOM 0 HA ALA A 431 -1.261 -1.885 -5.180 1.00 20.00 H new ATOM 0 HB1 ALA A 431 -0.516 0.332 -4.433 1.00 20.00 H new ATOM 0 HB2 ALA A 431 -0.336 -0.890 -3.152 1.00 20.00 H new ATOM 0 HB3 ALA A 431 1.091 -0.332 -4.057 1.00 20.00 H new ATOM 438 N ARG A 432 -0.671 -1.403 -7.543 1.00 20.00 N ATOM 439 CA ARG A 432 -0.471 -1.117 -8.978 1.00 20.00 C ATOM 440 C ARG A 432 -1.523 -0.158 -9.551 1.00 20.00 C ATOM 441 O ARG A 432 -1.282 0.457 -10.589 1.00 20.00 O ATOM 442 CB ARG A 432 -0.459 -2.442 -9.761 1.00 20.00 C ATOM 443 CG ARG A 432 0.754 -3.338 -9.438 1.00 20.00 C ATOM 444 CD ARG A 432 0.569 -4.767 -9.967 1.00 20.00 C ATOM 445 NE ARG A 432 0.428 -4.811 -11.438 1.00 20.00 N ATOM 446 CZ ARG A 432 0.023 -5.841 -12.161 1.00 20.00 C ATOM 447 NH1 ARG A 432 -0.280 -6.991 -11.628 1.00 20.00 N ATOM 448 NH2 ARG A 432 -0.088 -5.734 -13.454 1.00 20.00 N ATOM 0 H ARG A 432 -1.611 -1.747 -7.345 1.00 20.00 H new ATOM 0 HA ARG A 432 0.488 -0.610 -9.084 1.00 20.00 H new ATOM 0 HB2 ARG A 432 -1.375 -2.992 -9.543 1.00 20.00 H new ATOM 0 HB3 ARG A 432 -0.465 -2.224 -10.829 1.00 20.00 H new ATOM 0 HG2 ARG A 432 1.653 -2.903 -9.875 1.00 20.00 H new ATOM 0 HG3 ARG A 432 0.906 -3.367 -8.359 1.00 20.00 H new ATOM 0 HD2 ARG A 432 1.423 -5.375 -9.669 1.00 20.00 H new ATOM 0 HD3 ARG A 432 -0.314 -5.210 -9.507 1.00 20.00 H new ATOM 0 HE ARG A 432 0.668 -3.960 -11.947 1.00 20.00 H new ATOM 0 HH11 ARG A 432 -0.208 -7.120 -10.619 1.00 20.00 H new ATOM 0 HH12 ARG A 432 -0.589 -7.762 -12.220 1.00 20.00 H new ATOM 0 HH21 ARG A 432 0.138 -4.852 -13.914 1.00 20.00 H new ATOM 0 HH22 ARG A 432 -0.401 -6.532 -14.007 1.00 20.00 H new ATOM 462 N SER A 433 -2.659 0.001 -8.868 1.00 20.00 N ATOM 463 CA SER A 433 -3.668 1.037 -9.124 1.00 20.00 C ATOM 464 C SER A 433 -3.490 2.219 -8.162 1.00 20.00 C ATOM 465 O SER A 433 -2.946 2.068 -7.066 1.00 20.00 O ATOM 466 CB SER A 433 -5.067 0.430 -8.992 1.00 20.00 C ATOM 467 OG SER A 433 -6.040 1.342 -9.466 1.00 20.00 O ATOM 0 H SER A 433 -2.913 -0.610 -8.092 1.00 20.00 H new ATOM 0 HA SER A 433 -3.541 1.416 -10.138 1.00 20.00 H new ATOM 0 HB2 SER A 433 -5.123 -0.500 -9.558 1.00 20.00 H new ATOM 0 HB3 SER A 433 -5.267 0.182 -7.950 1.00 20.00 H new ATOM 0 HG SER A 433 -6.931 0.944 -9.379 1.00 20.00 H new ATOM 473 N HIS A 434 -3.980 3.400 -8.543 1.00 20.00 N ATOM 474 CA HIS A 434 -3.861 4.668 -7.804 1.00 20.00 C ATOM 475 C HIS A 434 -4.852 4.804 -6.623 1.00 20.00 C ATOM 476 O HIS A 434 -5.266 5.910 -6.263 1.00 20.00 O ATOM 477 CB HIS A 434 -3.962 5.834 -8.809 1.00 20.00 C ATOM 478 CG HIS A 434 -5.369 6.067 -9.314 1.00 20.00 C ATOM 479 ND1 HIS A 434 -6.235 5.075 -9.780 1.00 20.00 N ATOM 480 CD2 HIS A 434 -6.070 7.229 -9.176 1.00 20.00 C ATOM 481 CE1 HIS A 434 -7.446 5.647 -9.867 1.00 20.00 C ATOM 482 NE2 HIS A 434 -7.370 6.950 -9.541 1.00 20.00 N ATOM 0 H HIS A 434 -4.496 3.508 -9.416 1.00 20.00 H new ATOM 0 HA HIS A 434 -2.885 4.690 -7.320 1.00 20.00 H new ATOM 0 HB2 HIS A 434 -3.598 6.746 -8.335 1.00 20.00 H new ATOM 0 HB3 HIS A 434 -3.308 5.632 -9.657 1.00 20.00 H new ATOM 0 HD2 HIS A 434 -5.682 8.181 -8.845 1.00 20.00 H new ATOM 0 HE1 HIS A 434 -8.351 5.135 -10.157 1.00 20.00 H new ATOM 0 HE2 HIS A 434 -8.142 7.617 -9.560 1.00 20.00 H new ATOM 490 N ILE A 435 -5.265 3.675 -6.033 1.00 20.00 N ATOM 491 CA ILE A 435 -6.406 3.574 -5.112 1.00 20.00 C ATOM 492 C ILE A 435 -5.995 2.824 -3.845 1.00 20.00 C ATOM 493 O ILE A 435 -5.592 1.667 -3.930 1.00 20.00 O ATOM 494 CB ILE A 435 -7.593 2.877 -5.828 1.00 20.00 C ATOM 495 CG1 ILE A 435 -8.121 3.654 -7.055 1.00 20.00 C ATOM 496 CG2 ILE A 435 -8.779 2.609 -4.891 1.00 20.00 C ATOM 497 CD1 ILE A 435 -8.734 5.034 -6.761 1.00 20.00 C ATOM 0 H ILE A 435 -4.801 2.780 -6.187 1.00 20.00 H new ATOM 0 HA ILE A 435 -6.727 4.572 -4.815 1.00 20.00 H new ATOM 0 HB ILE A 435 -7.168 1.932 -6.166 1.00 20.00 H new ATOM 0 HG12 ILE A 435 -7.300 3.785 -7.759 1.00 20.00 H new ATOM 0 HG13 ILE A 435 -8.873 3.042 -7.553 1.00 20.00 H new ATOM 0 HG21 ILE A 435 -9.579 2.120 -5.447 1.00 20.00 H new ATOM 0 HG22 ILE A 435 -8.458 1.963 -4.074 1.00 20.00 H new ATOM 0 HG23 ILE A 435 -9.143 3.553 -4.486 1.00 20.00 H new ATOM 0 HD11 ILE A 435 -9.071 5.488 -7.693 1.00 20.00 H new ATOM 0 HD12 ILE A 435 -9.582 4.919 -6.086 1.00 20.00 H new ATOM 0 HD13 ILE A 435 -7.984 5.674 -6.296 1.00 20.00 H new ATOM 509 N MET A 436 -6.123 3.450 -2.672 1.00 20.00 N ATOM 510 CA MET A 436 -6.163 2.749 -1.378 1.00 20.00 C ATOM 511 C MET A 436 -7.570 2.185 -1.138 1.00 20.00 C ATOM 512 O MET A 436 -8.574 2.857 -1.394 1.00 20.00 O ATOM 513 CB MET A 436 -5.705 3.671 -0.231 1.00 20.00 C ATOM 514 CG MET A 436 -4.313 3.282 0.282 1.00 20.00 C ATOM 515 SD MET A 436 -4.264 1.811 1.338 1.00 20.00 S ATOM 516 CE MET A 436 -2.467 1.679 1.519 1.00 20.00 C ATOM 0 H MET A 436 -6.203 4.463 -2.589 1.00 20.00 H new ATOM 0 HA MET A 436 -5.463 1.914 -1.404 1.00 20.00 H new ATOM 0 HB2 MET A 436 -5.690 4.704 -0.577 1.00 20.00 H new ATOM 0 HB3 MET A 436 -6.423 3.619 0.587 1.00 20.00 H new ATOM 0 HG2 MET A 436 -3.661 3.116 -0.575 1.00 20.00 H new ATOM 0 HG3 MET A 436 -3.900 4.123 0.839 1.00 20.00 H new ATOM 0 HE1 MET A 436 -2.226 0.810 2.131 1.00 20.00 H new ATOM 0 HE2 MET A 436 -2.009 1.569 0.536 1.00 20.00 H new ATOM 0 HE3 MET A 436 -2.083 2.579 1.999 1.00 20.00 H new ATOM 526 N CYS A 437 -7.634 0.930 -0.692 1.00 20.00 N ATOM 527 CA CYS A 437 -8.814 0.092 -0.868 1.00 20.00 C ATOM 528 C CYS A 437 -10.034 0.449 0.012 1.00 20.00 C ATOM 529 O CYS A 437 -9.922 1.046 1.089 1.00 20.00 O ATOM 530 CB CYS A 437 -8.370 -1.358 -0.731 1.00 20.00 C ATOM 531 SG CYS A 437 -9.672 -2.452 -1.384 1.00 20.00 S ATOM 0 H CYS A 437 -6.869 0.469 -0.200 1.00 20.00 H new ATOM 0 HA CYS A 437 -9.213 0.279 -1.865 1.00 20.00 H new ATOM 0 HB2 CYS A 437 -7.439 -1.518 -1.274 1.00 20.00 H new ATOM 0 HB3 CYS A 437 -8.173 -1.593 0.315 1.00 20.00 H new ATOM 0 HG CYS A 437 -9.152 -3.283 -2.238 1.00 20.00 H new ATOM 536 N ARG A 438 -11.208 0.014 -0.463 1.00 20.00 N ATOM 537 CA ARG A 438 -12.558 0.178 0.114 1.00 20.00 C ATOM 538 C ARG A 438 -12.687 -0.263 1.569 1.00 20.00 C ATOM 539 O ARG A 438 -13.430 0.345 2.338 1.00 20.00 O ATOM 540 CB ARG A 438 -13.566 -0.577 -0.786 1.00 20.00 C ATOM 541 CG ARG A 438 -13.450 -2.099 -0.579 1.00 20.00 C ATOM 542 CD ARG A 438 -14.084 -2.989 -1.653 1.00 20.00 C ATOM 543 NE ARG A 438 -13.698 -4.392 -1.384 1.00 20.00 N ATOM 544 CZ ARG A 438 -14.096 -5.080 -0.331 1.00 20.00 C ATOM 545 NH1 ARG A 438 -15.224 -4.848 0.272 1.00 20.00 N ATOM 546 NH2 ARG A 438 -13.344 -5.984 0.213 1.00 20.00 N ATOM 0 H ARG A 438 -11.246 -0.509 -1.338 1.00 20.00 H new ATOM 0 HA ARG A 438 -12.772 1.246 0.136 1.00 20.00 H new ATOM 0 HB2 ARG A 438 -14.580 -0.250 -0.557 1.00 20.00 H new ATOM 0 HB3 ARG A 438 -13.381 -0.332 -1.832 1.00 20.00 H new ATOM 0 HG2 ARG A 438 -12.392 -2.353 -0.507 1.00 20.00 H new ATOM 0 HG3 ARG A 438 -13.904 -2.348 0.380 1.00 20.00 H new ATOM 0 HD2 ARG A 438 -15.169 -2.885 -1.640 1.00 20.00 H new ATOM 0 HD3 ARG A 438 -13.747 -2.686 -2.644 1.00 20.00 H new ATOM 0 HE ARG A 438 -13.086 -4.856 -2.055 1.00 20.00 H new ATOM 0 HH11 ARG A 438 -15.841 -4.109 -0.066 1.00 20.00 H new ATOM 0 HH12 ARG A 438 -15.492 -5.405 1.083 1.00 20.00 H new ATOM 0 HH21 ARG A 438 -12.420 -6.178 -0.172 1.00 20.00 H new ATOM 0 HH22 ARG A 438 -13.676 -6.502 1.027 1.00 20.00 H new ATOM 560 N GLU A 439 -11.967 -1.323 1.924 1.00 20.00 N ATOM 561 CA GLU A 439 -11.992 -1.945 3.249 1.00 20.00 C ATOM 562 C GLU A 439 -10.650 -1.837 3.998 1.00 20.00 C ATOM 563 O GLU A 439 -10.522 -2.273 5.147 1.00 20.00 O ATOM 564 CB GLU A 439 -12.460 -3.411 3.150 1.00 20.00 C ATOM 565 CG GLU A 439 -13.961 -3.538 3.406 1.00 20.00 C ATOM 566 CD GLU A 439 -14.380 -4.993 3.704 1.00 20.00 C ATOM 567 OE1 GLU A 439 -14.514 -5.800 2.752 1.00 20.00 O ATOM 568 OE2 GLU A 439 -14.611 -5.324 4.893 1.00 20.00 O ATOM 0 H GLU A 439 -11.329 -1.789 1.279 1.00 20.00 H new ATOM 0 HA GLU A 439 -12.712 -1.384 3.844 1.00 20.00 H new ATOM 0 HB2 GLU A 439 -12.224 -3.803 2.161 1.00 20.00 H new ATOM 0 HB3 GLU A 439 -11.914 -4.018 3.872 1.00 20.00 H new ATOM 0 HG2 GLU A 439 -14.240 -2.902 4.246 1.00 20.00 H new ATOM 0 HG3 GLU A 439 -14.508 -3.175 2.536 1.00 20.00 H new ATOM 575 N GLY A 440 -9.631 -1.293 3.334 1.00 20.00 N ATOM 576 CA GLY A 440 -8.245 -1.307 3.795 1.00 20.00 C ATOM 577 C GLY A 440 -7.755 -2.743 3.990 1.00 20.00 C ATOM 578 O GLY A 440 -7.877 -3.583 3.098 1.00 20.00 O ATOM 0 H GLY A 440 -9.750 -0.819 2.439 1.00 20.00 H new ATOM 0 HA2 GLY A 440 -7.610 -0.796 3.071 1.00 20.00 H new ATOM 0 HA3 GLY A 440 -8.163 -0.759 4.734 1.00 20.00 H new ATOM 582 N ALA A 441 -7.235 -3.037 5.181 1.00 20.00 N ATOM 583 CA ALA A 441 -6.732 -4.364 5.551 1.00 20.00 C ATOM 584 C ALA A 441 -7.835 -5.368 5.963 1.00 20.00 C ATOM 585 O ALA A 441 -7.533 -6.528 6.253 1.00 20.00 O ATOM 586 CB ALA A 441 -5.658 -4.182 6.628 1.00 20.00 C ATOM 0 H ALA A 441 -7.149 -2.350 5.930 1.00 20.00 H new ATOM 0 HA ALA A 441 -6.294 -4.826 4.666 1.00 20.00 H new ATOM 0 HB1 ALA A 441 -5.267 -5.157 6.921 1.00 20.00 H new ATOM 0 HB2 ALA A 441 -4.847 -3.570 6.233 1.00 20.00 H new ATOM 0 HB3 ALA A 441 -6.094 -3.690 7.497 1.00 20.00 H new ATOM 592 N ASN A 442 -9.111 -4.955 5.970 1.00 20.00 N ATOM 593 CA ASN A 442 -10.260 -5.840 6.211 1.00 20.00 C ATOM 594 C ASN A 442 -10.722 -6.535 4.913 1.00 20.00 C ATOM 595 O ASN A 442 -11.487 -7.502 4.964 1.00 20.00 O ATOM 596 CB ASN A 442 -11.406 -5.044 6.865 1.00 20.00 C ATOM 597 CG ASN A 442 -10.986 -4.270 8.103 1.00 20.00 C ATOM 598 OD1 ASN A 442 -10.936 -4.793 9.208 1.00 20.00 O ATOM 599 ND2 ASN A 442 -10.664 -3.004 7.958 1.00 20.00 N ATOM 0 H ASN A 442 -9.377 -3.984 5.806 1.00 20.00 H new ATOM 0 HA ASN A 442 -9.951 -6.629 6.897 1.00 20.00 H new ATOM 0 HB2 ASN A 442 -11.815 -4.347 6.134 1.00 20.00 H new ATOM 0 HB3 ASN A 442 -12.208 -5.732 7.133 1.00 20.00 H new ATOM 0 HD21 ASN A 442 -10.372 -2.456 8.767 1.00 20.00 H new ATOM 0 HD22 ASN A 442 -10.706 -2.569 7.036 1.00 20.00 H new ATOM 606 N CYS A 443 -10.252 -6.046 3.758 1.00 20.00 N ATOM 607 CA CYS A 443 -10.568 -6.552 2.430 1.00 20.00 C ATOM 608 C CYS A 443 -10.105 -8.012 2.247 1.00 20.00 C ATOM 609 O CYS A 443 -9.006 -8.385 2.669 1.00 20.00 O ATOM 610 CB CYS A 443 -9.886 -5.620 1.430 1.00 20.00 C ATOM 611 SG CYS A 443 -10.289 -6.007 -0.312 1.00 20.00 S ATOM 0 H CYS A 443 -9.613 -5.251 3.730 1.00 20.00 H new ATOM 0 HA CYS A 443 -11.647 -6.564 2.274 1.00 20.00 H new ATOM 0 HB2 CYS A 443 -10.179 -4.592 1.644 1.00 20.00 H new ATOM 0 HB3 CYS A 443 -8.806 -5.679 1.567 1.00 20.00 H new ATOM 0 HG CYS A 443 -10.196 -4.927 -1.029 1.00 20.00 H new ATOM 616 N THR A 444 -10.935 -8.828 1.596 1.00 20.00 N ATOM 617 CA THR A 444 -10.699 -10.262 1.350 1.00 20.00 C ATOM 618 C THR A 444 -10.371 -10.599 -0.109 1.00 20.00 C ATOM 619 O THR A 444 -10.344 -11.777 -0.476 1.00 20.00 O ATOM 620 CB THR A 444 -11.880 -11.107 1.860 1.00 20.00 C ATOM 621 OG1 THR A 444 -13.102 -10.607 1.348 1.00 20.00 O ATOM 622 CG2 THR A 444 -11.954 -11.088 3.388 1.00 20.00 C ATOM 0 H THR A 444 -11.822 -8.503 1.210 1.00 20.00 H new ATOM 0 HA THR A 444 -9.805 -10.518 1.918 1.00 20.00 H new ATOM 0 HB THR A 444 -11.719 -12.129 1.518 1.00 20.00 H new ATOM 0 HG1 THR A 444 -13.844 -11.155 1.679 1.00 20.00 H new ATOM 0 HG21 THR A 444 -12.798 -11.693 3.719 1.00 20.00 H new ATOM 0 HG22 THR A 444 -11.031 -11.495 3.802 1.00 20.00 H new ATOM 0 HG23 THR A 444 -12.086 -10.063 3.733 1.00 20.00 H new ATOM 630 N ARG A 445 -10.097 -9.602 -0.969 1.00 20.00 N ATOM 631 CA ARG A 445 -9.828 -9.819 -2.400 1.00 20.00 C ATOM 632 C ARG A 445 -8.345 -10.095 -2.683 1.00 20.00 C ATOM 633 O ARG A 445 -7.505 -9.204 -2.554 1.00 20.00 O ATOM 634 CB ARG A 445 -10.368 -8.621 -3.210 1.00 20.00 C ATOM 635 CG ARG A 445 -10.499 -8.975 -4.707 1.00 20.00 C ATOM 636 CD ARG A 445 -11.396 -8.035 -5.522 1.00 20.00 C ATOM 637 NE ARG A 445 -10.757 -6.728 -5.718 1.00 20.00 N ATOM 638 CZ ARG A 445 -10.953 -5.835 -6.667 1.00 20.00 C ATOM 639 NH1 ARG A 445 -11.784 -6.017 -7.655 1.00 20.00 N ATOM 640 NH2 ARG A 445 -10.293 -4.717 -6.608 1.00 20.00 N ATOM 0 H ARG A 445 -10.056 -8.622 -0.690 1.00 20.00 H new ATOM 0 HA ARG A 445 -10.353 -10.719 -2.718 1.00 20.00 H new ATOM 0 HB2 ARG A 445 -11.340 -8.321 -2.818 1.00 20.00 H new ATOM 0 HB3 ARG A 445 -9.700 -7.768 -3.092 1.00 20.00 H new ATOM 0 HG2 ARG A 445 -9.504 -8.979 -5.152 1.00 20.00 H new ATOM 0 HG3 ARG A 445 -10.890 -9.989 -4.792 1.00 20.00 H new ATOM 0 HD2 ARG A 445 -11.614 -8.485 -6.491 1.00 20.00 H new ATOM 0 HD3 ARG A 445 -12.349 -7.903 -5.010 1.00 20.00 H new ATOM 0 HE ARG A 445 -10.060 -6.474 -5.018 1.00 20.00 H new ATOM 0 HH11 ARG A 445 -12.319 -6.883 -7.718 1.00 20.00 H new ATOM 0 HH12 ARG A 445 -11.899 -5.293 -8.365 1.00 20.00 H new ATOM 0 HH21 ARG A 445 -9.643 -4.549 -5.840 1.00 20.00 H new ATOM 0 HH22 ARG A 445 -10.425 -4.008 -7.329 1.00 20.00 H new ATOM 654 N ILE A 446 -8.035 -11.300 -3.166 1.00 20.00 N ATOM 655 CA ILE A 446 -6.722 -11.627 -3.760 1.00 20.00 C ATOM 656 C ILE A 446 -6.563 -10.984 -5.149 1.00 20.00 C ATOM 657 O ILE A 446 -5.454 -10.685 -5.577 1.00 20.00 O ATOM 658 CB ILE A 446 -6.494 -13.161 -3.757 1.00 20.00 C ATOM 659 CG1 ILE A 446 -6.438 -13.729 -2.319 1.00 20.00 C ATOM 660 CG2 ILE A 446 -5.233 -13.574 -4.536 1.00 20.00 C ATOM 661 CD1 ILE A 446 -5.296 -13.187 -1.451 1.00 20.00 C ATOM 0 H ILE A 446 -8.686 -12.085 -3.159 1.00 20.00 H new ATOM 0 HA ILE A 446 -5.934 -11.195 -3.144 1.00 20.00 H new ATOM 0 HB ILE A 446 -7.355 -13.591 -4.269 1.00 20.00 H new ATOM 0 HG12 ILE A 446 -7.384 -13.514 -1.823 1.00 20.00 H new ATOM 0 HG13 ILE A 446 -6.347 -14.814 -2.376 1.00 20.00 H new ATOM 0 HG21 ILE A 446 -5.122 -14.658 -4.501 1.00 20.00 H new ATOM 0 HG22 ILE A 446 -5.324 -13.252 -5.573 1.00 20.00 H new ATOM 0 HG23 ILE A 446 -4.358 -13.105 -4.086 1.00 20.00 H new ATOM 0 HD11 ILE A 446 -5.342 -13.644 -0.463 1.00 20.00 H new ATOM 0 HD12 ILE A 446 -4.340 -13.425 -1.917 1.00 20.00 H new ATOM 0 HD13 ILE A 446 -5.394 -12.106 -1.355 1.00 20.00 H new ATOM 673 N ASP A 447 -7.664 -10.680 -5.838 1.00 20.00 N ATOM 674 CA ASP A 447 -7.653 -9.965 -7.117 1.00 20.00 C ATOM 675 C ASP A 447 -7.428 -8.439 -6.979 1.00 20.00 C ATOM 676 O ASP A 447 -7.346 -7.758 -8.004 1.00 20.00 O ATOM 677 CB ASP A 447 -8.947 -10.313 -7.877 1.00 20.00 C ATOM 678 CG ASP A 447 -8.923 -9.893 -9.358 1.00 20.00 C ATOM 679 OD1 ASP A 447 -8.033 -10.363 -10.109 1.00 20.00 O ATOM 680 OD2 ASP A 447 -9.838 -9.150 -9.792 1.00 20.00 O ATOM 0 H ASP A 447 -8.601 -10.926 -5.520 1.00 20.00 H new ATOM 0 HA ASP A 447 -6.790 -10.299 -7.693 1.00 20.00 H new ATOM 0 HB2 ASP A 447 -9.117 -11.388 -7.815 1.00 20.00 H new ATOM 0 HB3 ASP A 447 -9.790 -9.828 -7.384 1.00 20.00 H new ATOM 685 N CYS A 448 -7.306 -7.861 -5.766 1.00 20.00 N ATOM 686 CA CYS A 448 -7.047 -6.450 -5.610 1.00 20.00 C ATOM 687 C CYS A 448 -5.596 -6.120 -5.971 1.00 20.00 C ATOM 688 O CYS A 448 -4.642 -6.708 -5.445 1.00 20.00 O ATOM 689 CB CYS A 448 -7.353 -6.071 -4.193 1.00 20.00 C ATOM 690 SG CYS A 448 -8.927 -5.213 -3.903 1.00 20.00 S ATOM 0 H CYS A 448 -7.387 -8.370 -4.886 1.00 20.00 H new ATOM 0 HA CYS A 448 -7.681 -5.877 -6.287 1.00 20.00 H new ATOM 0 HB2 CYS A 448 -7.343 -6.978 -3.588 1.00 20.00 H new ATOM 0 HB3 CYS A 448 -6.546 -5.435 -3.828 1.00 20.00 H new ATOM 0 HG CYS A 448 -9.392 -5.542 -2.734 1.00 20.00 H new ATOM 695 N LEU A 449 -5.468 -5.114 -6.827 1.00 20.00 N ATOM 696 CA LEU A 449 -4.206 -4.483 -7.207 1.00 20.00 C ATOM 697 C LEU A 449 -4.096 -3.081 -6.568 1.00 20.00 C ATOM 698 O LEU A 449 -3.382 -2.205 -7.060 1.00 20.00 O ATOM 699 CB LEU A 449 -4.055 -4.499 -8.743 1.00 20.00 C ATOM 700 CG LEU A 449 -4.540 -5.765 -9.489 1.00 20.00 C ATOM 701 CD1 LEU A 449 -4.152 -5.649 -10.964 1.00 20.00 C ATOM 702 CD2 LEU A 449 -3.975 -7.089 -8.958 1.00 20.00 C ATOM 0 H LEU A 449 -6.272 -4.697 -7.296 1.00 20.00 H new ATOM 0 HA LEU A 449 -3.361 -5.049 -6.816 1.00 20.00 H new ATOM 0 HB2 LEU A 449 -4.596 -3.642 -9.144 1.00 20.00 H new ATOM 0 HB3 LEU A 449 -3.002 -4.350 -8.980 1.00 20.00 H new ATOM 0 HG LEU A 449 -5.618 -5.801 -9.332 1.00 20.00 H new ATOM 0 HD11 LEU A 449 -4.489 -6.536 -11.500 1.00 20.00 H new ATOM 0 HD12 LEU A 449 -4.621 -4.765 -11.395 1.00 20.00 H new ATOM 0 HD13 LEU A 449 -3.069 -5.563 -11.050 1.00 20.00 H new ATOM 0 HD21 LEU A 449 -4.374 -7.916 -9.545 1.00 20.00 H new ATOM 0 HD22 LEU A 449 -2.888 -7.078 -9.037 1.00 20.00 H new ATOM 0 HD23 LEU A 449 -4.262 -7.214 -7.914 1.00 20.00 H new ATOM 714 N PHE A 450 -4.867 -2.840 -5.500 1.00 20.00 N ATOM 715 CA PHE A 450 -5.010 -1.556 -4.820 1.00 20.00 C ATOM 716 C PHE A 450 -3.986 -1.483 -3.680 1.00 20.00 C ATOM 717 O PHE A 450 -3.398 -2.493 -3.281 1.00 20.00 O ATOM 718 CB PHE A 450 -6.459 -1.471 -4.293 1.00 20.00 C ATOM 719 CG PHE A 450 -7.593 -1.311 -5.305 1.00 20.00 C ATOM 720 CD1 PHE A 450 -7.395 -1.370 -6.703 1.00 20.00 C ATOM 721 CD2 PHE A 450 -8.897 -1.104 -4.817 1.00 20.00 C ATOM 722 CE1 PHE A 450 -8.481 -1.220 -7.586 1.00 20.00 C ATOM 723 CE2 PHE A 450 -9.983 -0.951 -5.695 1.00 20.00 C ATOM 724 CZ PHE A 450 -9.776 -1.006 -7.084 1.00 20.00 C ATOM 0 H PHE A 450 -5.432 -3.572 -5.070 1.00 20.00 H new ATOM 0 HA PHE A 450 -4.823 -0.716 -5.489 1.00 20.00 H new ATOM 0 HB2 PHE A 450 -6.655 -2.374 -3.715 1.00 20.00 H new ATOM 0 HB3 PHE A 450 -6.511 -0.631 -3.600 1.00 20.00 H new ATOM 0 HD1 PHE A 450 -6.403 -1.531 -7.097 1.00 20.00 H new ATOM 0 HD2 PHE A 450 -9.065 -1.062 -3.751 1.00 20.00 H new ATOM 0 HE1 PHE A 450 -8.318 -1.270 -8.653 1.00 20.00 H new ATOM 0 HE2 PHE A 450 -10.976 -0.791 -5.303 1.00 20.00 H new ATOM 0 HZ PHE A 450 -10.608 -0.884 -7.762 1.00 20.00 H new ATOM 734 N GLY A 451 -3.791 -0.300 -3.107 1.00 20.00 N ATOM 735 CA GLY A 451 -3.156 -0.168 -1.803 1.00 20.00 C ATOM 736 C GLY A 451 -3.957 -0.935 -0.748 1.00 20.00 C ATOM 737 O GLY A 451 -5.142 -0.663 -0.546 1.00 20.00 O ATOM 0 H GLY A 451 -4.066 0.586 -3.530 1.00 20.00 H new ATOM 0 HA2 GLY A 451 -2.136 -0.551 -1.846 1.00 20.00 H new ATOM 0 HA3 GLY A 451 -3.090 0.884 -1.527 1.00 20.00 H new ATOM 741 N HIS A 452 -3.309 -1.884 -0.077 1.00 20.00 N ATOM 742 CA HIS A 452 -3.787 -2.513 1.152 1.00 20.00 C ATOM 743 C HIS A 452 -2.724 -2.244 2.247 1.00 20.00 C ATOM 744 O HIS A 452 -1.534 -2.424 1.975 1.00 20.00 O ATOM 745 CB HIS A 452 -4.037 -4.021 0.964 1.00 20.00 C ATOM 746 CG HIS A 452 -5.077 -4.443 -0.065 1.00 20.00 C ATOM 747 ND1 HIS A 452 -4.983 -5.539 -0.900 1.00 20.00 N ATOM 748 CD2 HIS A 452 -6.358 -3.979 -0.188 1.00 20.00 C ATOM 749 CE1 HIS A 452 -6.166 -5.758 -1.510 1.00 20.00 C ATOM 750 NE2 HIS A 452 -7.027 -4.802 -1.109 1.00 20.00 N ATOM 0 H HIS A 452 -2.407 -2.248 -0.384 1.00 20.00 H new ATOM 0 HA HIS A 452 -4.748 -2.089 1.442 1.00 20.00 H new ATOM 0 HB2 HIS A 452 -3.089 -4.487 0.694 1.00 20.00 H new ATOM 0 HB3 HIS A 452 -4.332 -4.435 1.928 1.00 20.00 H new ATOM 0 HD2 HIS A 452 -6.780 -3.131 0.331 1.00 20.00 H new ATOM 0 HE1 HIS A 452 -6.385 -6.560 -2.200 1.00 20.00 H new ATOM 0 HE2 HIS A 452 -7.993 -4.695 -1.419 1.00 20.00 H new ATOM 758 N PRO A 453 -3.096 -1.797 3.462 1.00 20.00 N ATOM 759 CA PRO A 453 -2.146 -1.327 4.478 1.00 20.00 C ATOM 760 C PRO A 453 -1.032 -2.318 4.860 1.00 20.00 C ATOM 761 O PRO A 453 -1.236 -3.534 4.906 1.00 20.00 O ATOM 762 CB PRO A 453 -2.991 -0.961 5.701 1.00 20.00 C ATOM 763 CG PRO A 453 -4.338 -0.584 5.089 1.00 20.00 C ATOM 764 CD PRO A 453 -4.455 -1.515 3.889 1.00 20.00 C ATOM 0 HA PRO A 453 -1.593 -0.483 4.065 1.00 20.00 H new ATOM 0 HB2 PRO A 453 -3.083 -1.798 6.393 1.00 20.00 H new ATOM 0 HB3 PRO A 453 -2.555 -0.132 6.259 1.00 20.00 H new ATOM 0 HG2 PRO A 453 -5.155 -0.733 5.794 1.00 20.00 H new ATOM 0 HG3 PRO A 453 -4.364 0.463 4.789 1.00 20.00 H new ATOM 0 HD2 PRO A 453 -4.977 -2.433 4.158 1.00 20.00 H new ATOM 0 HD3 PRO A 453 -5.026 -1.047 3.087 1.00 20.00 H new ATOM 772 N ILE A 454 0.134 -1.765 5.210 1.00 20.00 N ATOM 773 CA ILE A 454 1.292 -2.465 5.781 1.00 20.00 C ATOM 774 C ILE A 454 1.656 -1.776 7.100 1.00 20.00 C ATOM 775 O ILE A 454 1.723 -0.546 7.144 1.00 20.00 O ATOM 776 CB ILE A 454 2.507 -2.431 4.822 1.00 20.00 C ATOM 777 CG1 ILE A 454 2.156 -2.871 3.384 1.00 20.00 C ATOM 778 CG2 ILE A 454 3.649 -3.300 5.385 1.00 20.00 C ATOM 779 CD1 ILE A 454 3.331 -2.685 2.419 1.00 20.00 C ATOM 0 H ILE A 454 0.305 -0.766 5.097 1.00 20.00 H new ATOM 0 HA ILE A 454 1.034 -3.511 5.943 1.00 20.00 H new ATOM 0 HB ILE A 454 2.831 -1.392 4.758 1.00 20.00 H new ATOM 0 HG12 ILE A 454 1.855 -3.919 3.390 1.00 20.00 H new ATOM 0 HG13 ILE A 454 1.301 -2.296 3.028 1.00 20.00 H new ATOM 0 HG21 ILE A 454 4.499 -3.270 4.703 1.00 20.00 H new ATOM 0 HG22 ILE A 454 3.951 -2.917 6.360 1.00 20.00 H new ATOM 0 HG23 ILE A 454 3.305 -4.329 5.491 1.00 20.00 H new ATOM 0 HD11 ILE A 454 3.036 -3.008 1.420 1.00 20.00 H new ATOM 0 HD12 ILE A 454 3.616 -1.633 2.391 1.00 20.00 H new ATOM 0 HD13 ILE A 454 4.178 -3.281 2.758 1.00 20.00 H new ATOM 791 N ASN A 455 1.939 -2.546 8.154 1.00 20.00 N ATOM 792 CA ASN A 455 2.477 -2.032 9.416 1.00 20.00 C ATOM 793 C ASN A 455 3.961 -1.634 9.248 1.00 20.00 C ATOM 794 O ASN A 455 4.873 -2.384 9.602 1.00 20.00 O ATOM 795 CB ASN A 455 2.234 -3.084 10.517 1.00 20.00 C ATOM 796 CG ASN A 455 2.638 -2.609 11.908 1.00 20.00 C ATOM 797 OD1 ASN A 455 2.898 -1.440 12.161 1.00 20.00 O ATOM 798 ND2 ASN A 455 2.677 -3.504 12.869 1.00 20.00 N ATOM 0 H ASN A 455 1.799 -3.556 8.155 1.00 20.00 H new ATOM 0 HA ASN A 455 1.964 -1.119 9.718 1.00 20.00 H new ATOM 0 HB2 ASN A 455 1.178 -3.353 10.526 1.00 20.00 H new ATOM 0 HB3 ASN A 455 2.791 -3.989 10.274 1.00 20.00 H new ATOM 0 HD21 ASN A 455 2.923 -3.223 13.818 1.00 20.00 H new ATOM 0 HD22 ASN A 455 2.462 -4.480 12.666 1.00 20.00 H new ATOM 805 N GLU A 456 4.200 -0.467 8.648 1.00 20.00 N ATOM 806 CA GLU A 456 5.515 0.086 8.306 1.00 20.00 C ATOM 807 C GLU A 456 5.470 1.618 8.413 1.00 20.00 C ATOM 808 O GLU A 456 4.443 2.232 8.119 1.00 20.00 O ATOM 809 CB GLU A 456 5.865 -0.304 6.860 1.00 20.00 C ATOM 810 CG GLU A 456 7.339 -0.139 6.460 1.00 20.00 C ATOM 811 CD GLU A 456 8.252 -1.169 7.148 1.00 20.00 C ATOM 812 OE1 GLU A 456 8.717 -0.904 8.283 1.00 20.00 O ATOM 813 OE2 GLU A 456 8.521 -2.239 6.549 1.00 20.00 O ATOM 0 H GLU A 456 3.440 0.154 8.371 1.00 20.00 H new ATOM 0 HA GLU A 456 6.266 -0.308 8.991 1.00 20.00 H new ATOM 0 HB2 GLU A 456 5.581 -1.345 6.706 1.00 20.00 H new ATOM 0 HB3 GLU A 456 5.256 0.296 6.184 1.00 20.00 H new ATOM 0 HG2 GLU A 456 7.433 -0.239 5.379 1.00 20.00 H new ATOM 0 HG3 GLU A 456 7.672 0.867 6.717 1.00 20.00 H new ATOM 820 N ASP A 457 6.583 2.240 8.790 1.00 20.00 N ATOM 821 CA ASP A 457 6.723 3.701 8.897 1.00 20.00 C ATOM 822 C ASP A 457 7.318 4.307 7.612 1.00 20.00 C ATOM 823 O ASP A 457 8.399 3.900 7.174 1.00 20.00 O ATOM 824 CB ASP A 457 7.566 4.031 10.138 1.00 20.00 C ATOM 825 CG ASP A 457 7.722 5.546 10.358 1.00 20.00 C ATOM 826 OD1 ASP A 457 6.691 6.258 10.418 1.00 20.00 O ATOM 827 OD2 ASP A 457 8.873 6.021 10.511 1.00 20.00 O ATOM 0 H ASP A 457 7.436 1.737 9.037 1.00 20.00 H new ATOM 0 HA ASP A 457 5.738 4.152 9.013 1.00 20.00 H new ATOM 0 HB2 ASP A 457 7.102 3.585 11.018 1.00 20.00 H new ATOM 0 HB3 ASP A 457 8.552 3.579 10.034 1.00 20.00 H new ATOM 832 N CYS A 458 6.617 5.273 7.002 1.00 20.00 N ATOM 833 CA CYS A 458 7.009 5.866 5.722 1.00 20.00 C ATOM 834 C CYS A 458 8.372 6.588 5.740 1.00 20.00 C ATOM 835 O CYS A 458 8.795 7.185 6.736 1.00 20.00 O ATOM 836 CB CYS A 458 5.883 6.773 5.207 1.00 20.00 C ATOM 837 SG CYS A 458 6.167 7.166 3.435 1.00 20.00 S ATOM 0 H CYS A 458 5.758 5.665 7.387 1.00 20.00 H new ATOM 0 HA CYS A 458 7.158 5.040 5.027 1.00 20.00 H new ATOM 0 HB2 CYS A 458 4.919 6.278 5.330 1.00 20.00 H new ATOM 0 HB3 CYS A 458 5.847 7.692 5.792 1.00 20.00 H new ATOM 0 HG CYS A 458 5.309 8.062 3.046 1.00 20.00 H new ATOM 842 N ARG A 459 9.027 6.572 4.574 1.00 20.00 N ATOM 843 CA ARG A 459 10.326 7.205 4.287 1.00 20.00 C ATOM 844 C ARG A 459 10.246 8.737 4.216 1.00 20.00 C ATOM 845 O ARG A 459 11.282 9.400 4.273 1.00 20.00 O ATOM 846 CB ARG A 459 10.893 6.635 2.971 1.00 20.00 C ATOM 847 CG ARG A 459 11.044 5.105 2.995 1.00 20.00 C ATOM 848 CD ARG A 459 11.663 4.588 1.692 1.00 20.00 C ATOM 849 NE ARG A 459 11.724 3.112 1.682 1.00 20.00 N ATOM 850 CZ ARG A 459 12.099 2.344 0.674 1.00 20.00 C ATOM 851 NH1 ARG A 459 12.497 2.838 -0.464 1.00 20.00 N ATOM 852 NH2 ARG A 459 12.082 1.047 0.796 1.00 20.00 N ATOM 0 H ARG A 459 8.647 6.092 3.758 1.00 20.00 H new ATOM 0 HA ARG A 459 10.993 6.971 5.117 1.00 20.00 H new ATOM 0 HB2 ARG A 459 10.238 6.917 2.147 1.00 20.00 H new ATOM 0 HB3 ARG A 459 11.865 7.088 2.774 1.00 20.00 H new ATOM 0 HG2 ARG A 459 11.669 4.812 3.839 1.00 20.00 H new ATOM 0 HG3 ARG A 459 10.068 4.643 3.145 1.00 20.00 H new ATOM 0 HD2 ARG A 459 11.075 4.937 0.843 1.00 20.00 H new ATOM 0 HD3 ARG A 459 12.666 4.997 1.575 1.00 20.00 H new ATOM 0 HE ARG A 459 11.448 2.637 2.541 1.00 20.00 H new ATOM 0 HH11 ARG A 459 12.526 3.849 -0.599 1.00 20.00 H new ATOM 0 HH12 ARG A 459 12.779 2.214 -1.220 1.00 20.00 H new ATOM 0 HH21 ARG A 459 11.779 0.621 1.672 1.00 20.00 H new ATOM 0 HH22 ARG A 459 12.372 0.458 0.016 1.00 20.00 H new ATOM 866 N PHE A 460 9.036 9.294 4.101 1.00 20.00 N ATOM 867 CA PHE A 460 8.769 10.737 3.995 1.00 20.00 C ATOM 868 C PHE A 460 7.850 11.278 5.108 1.00 20.00 C ATOM 869 O PHE A 460 7.898 12.474 5.407 1.00 20.00 O ATOM 870 CB PHE A 460 8.169 11.020 2.610 1.00 20.00 C ATOM 871 CG PHE A 460 9.182 11.113 1.485 1.00 20.00 C ATOM 872 CD1 PHE A 460 9.750 9.949 0.930 1.00 20.00 C ATOM 873 CD2 PHE A 460 9.546 12.377 0.983 1.00 20.00 C ATOM 874 CE1 PHE A 460 10.694 10.052 -0.108 1.00 20.00 C ATOM 875 CE2 PHE A 460 10.490 12.479 -0.057 1.00 20.00 C ATOM 876 CZ PHE A 460 11.066 11.316 -0.599 1.00 20.00 C ATOM 0 H PHE A 460 8.183 8.735 4.078 1.00 20.00 H new ATOM 0 HA PHE A 460 9.716 11.261 4.122 1.00 20.00 H new ATOM 0 HB2 PHE A 460 7.454 10.233 2.372 1.00 20.00 H new ATOM 0 HB3 PHE A 460 7.611 11.955 2.656 1.00 20.00 H new ATOM 0 HD1 PHE A 460 9.460 8.977 1.302 1.00 20.00 H new ATOM 0 HD2 PHE A 460 9.101 13.270 1.396 1.00 20.00 H new ATOM 0 HE1 PHE A 460 11.133 9.159 -0.528 1.00 20.00 H new ATOM 0 HE2 PHE A 460 10.771 13.450 -0.438 1.00 20.00 H new ATOM 0 HZ PHE A 460 11.794 11.394 -1.393 1.00 20.00 H new ATOM 886 N GLY A 461 7.017 10.435 5.731 1.00 20.00 N ATOM 887 CA GLY A 461 6.132 10.810 6.836 1.00 20.00 C ATOM 888 C GLY A 461 5.147 11.911 6.445 1.00 20.00 C ATOM 889 O GLY A 461 4.297 11.724 5.577 1.00 20.00 O ATOM 0 H GLY A 461 6.939 9.451 5.473 1.00 20.00 H new ATOM 0 HA2 GLY A 461 5.578 9.932 7.168 1.00 20.00 H new ATOM 0 HA3 GLY A 461 6.733 11.147 7.681 1.00 20.00 H new ATOM 893 N VAL A 462 5.291 13.078 7.073 1.00 20.00 N ATOM 894 CA VAL A 462 4.451 14.272 6.822 1.00 20.00 C ATOM 895 C VAL A 462 4.788 15.015 5.521 1.00 20.00 C ATOM 896 O VAL A 462 4.037 15.897 5.104 1.00 20.00 O ATOM 897 CB VAL A 462 4.457 15.249 8.017 1.00 20.00 C ATOM 898 CG1 VAL A 462 3.928 14.577 9.288 1.00 20.00 C ATOM 899 CG2 VAL A 462 5.849 15.828 8.311 1.00 20.00 C ATOM 0 H VAL A 462 6.005 13.233 7.785 1.00 20.00 H new ATOM 0 HA VAL A 462 3.443 13.876 6.699 1.00 20.00 H new ATOM 0 HB VAL A 462 3.800 16.068 7.726 1.00 20.00 H new ATOM 0 HG11 VAL A 462 3.945 15.291 10.111 1.00 20.00 H new ATOM 0 HG12 VAL A 462 2.905 14.239 9.122 1.00 20.00 H new ATOM 0 HG13 VAL A 462 4.557 13.722 9.536 1.00 20.00 H new ATOM 0 HG21 VAL A 462 5.788 16.507 9.161 1.00 20.00 H new ATOM 0 HG22 VAL A 462 6.539 15.017 8.543 1.00 20.00 H new ATOM 0 HG23 VAL A 462 6.209 16.371 7.437 1.00 20.00 H new ATOM 909 N ASN A 463 5.896 14.654 4.866 1.00 20.00 N ATOM 910 CA ASN A 463 6.357 15.241 3.599 1.00 20.00 C ATOM 911 C ASN A 463 5.827 14.484 2.359 1.00 20.00 C ATOM 912 O ASN A 463 5.948 14.980 1.234 1.00 20.00 O ATOM 913 CB ASN A 463 7.897 15.293 3.596 1.00 20.00 C ATOM 914 CG ASN A 463 8.488 15.976 4.820 1.00 20.00 C ATOM 915 OD1 ASN A 463 8.620 17.191 4.882 1.00 20.00 O ATOM 916 ND2 ASN A 463 8.853 15.220 5.833 1.00 20.00 N ATOM 0 H ASN A 463 6.518 13.923 5.212 1.00 20.00 H new ATOM 0 HA ASN A 463 5.952 16.251 3.531 1.00 20.00 H new ATOM 0 HB2 ASN A 463 8.286 14.277 3.535 1.00 20.00 H new ATOM 0 HB3 ASN A 463 8.232 15.817 2.701 1.00 20.00 H new ATOM 0 HD21 ASN A 463 9.247 15.646 6.672 1.00 20.00 H new ATOM 0 HD22 ASN A 463 8.742 14.207 5.780 1.00 20.00 H new ATOM 923 N CYS A 464 5.272 13.284 2.568 1.00 20.00 N ATOM 924 CA CYS A 464 4.795 12.352 1.550 1.00 20.00 C ATOM 925 C CYS A 464 3.532 12.862 0.827 1.00 20.00 C ATOM 926 O CYS A 464 2.636 13.442 1.451 1.00 20.00 O ATOM 927 CB CYS A 464 4.535 11.020 2.262 1.00 20.00 C ATOM 928 SG CYS A 464 4.433 9.620 1.088 1.00 20.00 S ATOM 0 H CYS A 464 5.138 12.920 3.511 1.00 20.00 H new ATOM 0 HA CYS A 464 5.544 12.239 0.766 1.00 20.00 H new ATOM 0 HB2 CYS A 464 5.332 10.832 2.981 1.00 20.00 H new ATOM 0 HB3 CYS A 464 3.605 11.087 2.827 1.00 20.00 H new ATOM 0 HG CYS A 464 3.829 8.619 1.657 1.00 20.00 H new ATOM 933 N LYS A 465 3.472 12.639 -0.493 1.00 20.00 N ATOM 934 CA LYS A 465 2.441 13.187 -1.402 1.00 20.00 C ATOM 935 C LYS A 465 1.627 12.113 -2.142 1.00 20.00 C ATOM 936 O LYS A 465 0.709 12.447 -2.892 1.00 20.00 O ATOM 937 CB LYS A 465 3.101 14.193 -2.368 1.00 20.00 C ATOM 938 CG LYS A 465 3.777 15.347 -1.609 1.00 20.00 C ATOM 939 CD LYS A 465 4.495 16.332 -2.540 1.00 20.00 C ATOM 940 CE LYS A 465 5.216 17.430 -1.742 1.00 20.00 C ATOM 941 NZ LYS A 465 6.351 16.899 -0.935 1.00 20.00 N ATOM 0 H LYS A 465 4.156 12.057 -0.977 1.00 20.00 H new ATOM 0 HA LYS A 465 1.702 13.705 -0.790 1.00 20.00 H new ATOM 0 HB2 LYS A 465 3.840 13.678 -2.981 1.00 20.00 H new ATOM 0 HB3 LYS A 465 2.348 14.595 -3.046 1.00 20.00 H new ATOM 0 HG2 LYS A 465 3.026 15.884 -1.030 1.00 20.00 H new ATOM 0 HG3 LYS A 465 4.495 14.937 -0.898 1.00 20.00 H new ATOM 0 HD2 LYS A 465 5.216 15.794 -3.156 1.00 20.00 H new ATOM 0 HD3 LYS A 465 3.773 16.787 -3.218 1.00 20.00 H new ATOM 0 HE2 LYS A 465 5.588 18.189 -2.430 1.00 20.00 H new ATOM 0 HE3 LYS A 465 4.503 17.921 -1.080 1.00 20.00 H new ATOM 0 HZ1 LYS A 465 6.876 17.691 -0.511 1.00 20.00 H new ATOM 0 HZ2 LYS A 465 5.983 16.284 -0.181 1.00 20.00 H new ATOM 0 HZ3 LYS A 465 6.987 16.351 -1.549 1.00 20.00 H new ATOM 955 N ASN A 466 1.943 10.833 -1.938 1.00 20.00 N ATOM 956 CA ASN A 466 1.251 9.699 -2.557 1.00 20.00 C ATOM 957 C ASN A 466 0.011 9.291 -1.732 1.00 20.00 C ATOM 958 O ASN A 466 0.122 8.905 -0.566 1.00 20.00 O ATOM 959 CB ASN A 466 2.274 8.562 -2.760 1.00 20.00 C ATOM 960 CG ASN A 466 1.682 7.283 -3.342 1.00 20.00 C ATOM 961 OD1 ASN A 466 0.498 7.170 -3.616 1.00 20.00 O ATOM 962 ND2 ASN A 466 2.491 6.273 -3.556 1.00 20.00 N ATOM 0 H ASN A 466 2.705 10.548 -1.323 1.00 20.00 H new ATOM 0 HA ASN A 466 0.857 9.969 -3.537 1.00 20.00 H new ATOM 0 HB2 ASN A 466 3.066 8.915 -3.420 1.00 20.00 H new ATOM 0 HB3 ASN A 466 2.738 8.331 -1.801 1.00 20.00 H new ATOM 0 HD21 ASN A 466 2.129 5.404 -3.948 1.00 20.00 H new ATOM 0 HD22 ASN A 466 3.482 6.357 -3.331 1.00 20.00 H new ATOM 969 N ILE A 467 -1.173 9.356 -2.352 1.00 20.00 N ATOM 970 CA ILE A 467 -2.476 9.101 -1.710 1.00 20.00 C ATOM 971 C ILE A 467 -2.664 7.632 -1.286 1.00 20.00 C ATOM 972 O ILE A 467 -3.353 7.333 -0.310 1.00 20.00 O ATOM 973 CB ILE A 467 -3.634 9.511 -2.660 1.00 20.00 C ATOM 974 CG1 ILE A 467 -3.394 10.769 -3.527 1.00 20.00 C ATOM 975 CG2 ILE A 467 -4.937 9.674 -1.863 1.00 20.00 C ATOM 976 CD1 ILE A 467 -3.064 12.051 -2.757 1.00 20.00 C ATOM 0 H ILE A 467 -1.258 9.593 -3.340 1.00 20.00 H new ATOM 0 HA ILE A 467 -2.495 9.707 -0.804 1.00 20.00 H new ATOM 0 HB ILE A 467 -3.700 8.690 -3.374 1.00 20.00 H new ATOM 0 HG12 ILE A 467 -2.577 10.561 -4.218 1.00 20.00 H new ATOM 0 HG13 ILE A 467 -4.284 10.948 -4.130 1.00 20.00 H new ATOM 0 HG21 ILE A 467 -5.743 9.962 -2.538 1.00 20.00 H new ATOM 0 HG22 ILE A 467 -5.188 8.730 -1.379 1.00 20.00 H new ATOM 0 HG23 ILE A 467 -4.806 10.446 -1.105 1.00 20.00 H new ATOM 0 HD11 ILE A 467 -2.915 12.870 -3.461 1.00 20.00 H new ATOM 0 HD12 ILE A 467 -3.888 12.295 -2.086 1.00 20.00 H new ATOM 0 HD13 ILE A 467 -2.154 11.902 -2.176 1.00 20.00 H new ATOM 988 N TYR A 468 -2.047 6.712 -2.025 1.00 20.00 N ATOM 989 CA TYR A 468 -2.239 5.257 -1.972 1.00 20.00 C ATOM 990 C TYR A 468 -0.957 4.512 -1.537 1.00 20.00 C ATOM 991 O TYR A 468 -0.714 3.366 -1.924 1.00 20.00 O ATOM 992 CB TYR A 468 -2.824 4.778 -3.316 1.00 20.00 C ATOM 993 CG TYR A 468 -2.028 5.194 -4.545 1.00 20.00 C ATOM 994 CD1 TYR A 468 -2.298 6.429 -5.168 1.00 20.00 C ATOM 995 CD2 TYR A 468 -1.011 4.363 -5.057 1.00 20.00 C ATOM 996 CE1 TYR A 468 -1.540 6.851 -6.276 1.00 20.00 C ATOM 997 CE2 TYR A 468 -0.252 4.776 -6.171 1.00 20.00 C ATOM 998 CZ TYR A 468 -0.508 6.027 -6.777 1.00 20.00 C ATOM 999 OH TYR A 468 0.213 6.433 -7.858 1.00 20.00 O ATOM 0 H TYR A 468 -1.353 6.977 -2.724 1.00 20.00 H new ATOM 0 HA TYR A 468 -2.961 5.011 -1.194 1.00 20.00 H new ATOM 0 HB2 TYR A 468 -2.895 3.690 -3.298 1.00 20.00 H new ATOM 0 HB3 TYR A 468 -3.840 5.162 -3.411 1.00 20.00 H new ATOM 0 HD1 TYR A 468 -3.093 7.056 -4.792 1.00 20.00 H new ATOM 0 HD2 TYR A 468 -0.813 3.407 -4.595 1.00 20.00 H new ATOM 0 HE1 TYR A 468 -1.747 7.803 -6.742 1.00 20.00 H new ATOM 0 HE2 TYR A 468 0.525 4.136 -6.562 1.00 20.00 H new ATOM 0 HH TYR A 468 0.885 5.754 -8.077 1.00 20.00 H new ATOM 1009 N CYS A 469 -0.125 5.184 -0.737 1.00 20.00 N ATOM 1010 CA CYS A 469 1.215 4.779 -0.350 1.00 20.00 C ATOM 1011 C CYS A 469 1.213 3.565 0.602 1.00 20.00 C ATOM 1012 O CYS A 469 0.297 3.355 1.407 1.00 20.00 O ATOM 1013 CB CYS A 469 1.845 6.045 0.230 1.00 20.00 C ATOM 1014 SG CYS A 469 3.548 5.823 0.860 1.00 20.00 S ATOM 0 H CYS A 469 -0.391 6.077 -0.322 1.00 20.00 H new ATOM 0 HA CYS A 469 1.804 4.411 -1.190 1.00 20.00 H new ATOM 0 HB2 CYS A 469 1.853 6.817 -0.539 1.00 20.00 H new ATOM 0 HB3 CYS A 469 1.215 6.410 1.041 1.00 20.00 H new ATOM 0 HG CYS A 469 3.690 6.485 1.970 1.00 20.00 H new ATOM 1019 N LEU A 470 2.262 2.754 0.482 1.00 20.00 N ATOM 1020 CA LEU A 470 2.401 1.444 1.123 1.00 20.00 C ATOM 1021 C LEU A 470 2.555 1.525 2.643 1.00 20.00 C ATOM 1022 O LEU A 470 2.132 0.625 3.371 1.00 20.00 O ATOM 1023 CB LEU A 470 3.608 0.736 0.480 1.00 20.00 C ATOM 1024 CG LEU A 470 3.450 0.443 -1.023 1.00 20.00 C ATOM 1025 CD1 LEU A 470 4.723 -0.200 -1.561 1.00 20.00 C ATOM 1026 CD2 LEU A 470 2.287 -0.508 -1.297 1.00 20.00 C ATOM 0 H LEU A 470 3.072 3.000 -0.087 1.00 20.00 H new ATOM 0 HA LEU A 470 1.484 0.878 0.962 1.00 20.00 H new ATOM 0 HB2 LEU A 470 4.495 1.353 0.626 1.00 20.00 H new ATOM 0 HB3 LEU A 470 3.783 -0.204 1.004 1.00 20.00 H new ATOM 0 HG LEU A 470 3.254 1.394 -1.517 1.00 20.00 H new ATOM 0 HD11 LEU A 470 4.605 -0.405 -2.625 1.00 20.00 H new ATOM 0 HD12 LEU A 470 5.564 0.478 -1.413 1.00 20.00 H new ATOM 0 HD13 LEU A 470 4.912 -1.133 -1.030 1.00 20.00 H new ATOM 0 HD21 LEU A 470 2.210 -0.689 -2.369 1.00 20.00 H new ATOM 0 HD22 LEU A 470 2.460 -1.452 -0.781 1.00 20.00 H new ATOM 0 HD23 LEU A 470 1.360 -0.062 -0.937 1.00 20.00 H new ATOM 1038 N PHE A 471 3.105 2.627 3.135 1.00 20.00 N ATOM 1039 CA PHE A 471 3.534 2.797 4.526 1.00 20.00 C ATOM 1040 C PHE A 471 2.629 3.790 5.272 1.00 20.00 C ATOM 1041 O PHE A 471 1.986 4.636 4.651 1.00 20.00 O ATOM 1042 CB PHE A 471 5.009 3.220 4.534 1.00 20.00 C ATOM 1043 CG PHE A 471 5.935 2.484 3.572 1.00 20.00 C ATOM 1044 CD1 PHE A 471 5.838 1.091 3.389 1.00 20.00 C ATOM 1045 CD2 PHE A 471 6.880 3.213 2.819 1.00 20.00 C ATOM 1046 CE1 PHE A 471 6.666 0.437 2.461 1.00 20.00 C ATOM 1047 CE2 PHE A 471 7.723 2.557 1.906 1.00 20.00 C ATOM 1048 CZ PHE A 471 7.615 1.168 1.725 1.00 20.00 C ATOM 0 H PHE A 471 3.272 3.455 2.564 1.00 20.00 H new ATOM 0 HA PHE A 471 3.441 1.853 5.063 1.00 20.00 H new ATOM 0 HB2 PHE A 471 5.059 4.285 4.308 1.00 20.00 H new ATOM 0 HB3 PHE A 471 5.395 3.090 5.545 1.00 20.00 H new ATOM 0 HD1 PHE A 471 5.123 0.522 3.965 1.00 20.00 H new ATOM 0 HD2 PHE A 471 6.956 4.283 2.945 1.00 20.00 H new ATOM 0 HE1 PHE A 471 6.573 -0.629 2.313 1.00 20.00 H new ATOM 0 HE2 PHE A 471 8.453 3.120 1.344 1.00 20.00 H new ATOM 0 HZ PHE A 471 8.260 0.663 1.022 1.00 20.00 H new ATOM 1058 N ARG A 472 2.542 3.681 6.603 1.00 20.00 N ATOM 1059 CA ARG A 472 1.740 4.585 7.448 1.00 20.00 C ATOM 1060 C ARG A 472 2.467 5.914 7.698 1.00 20.00 C ATOM 1061 O ARG A 472 3.695 5.992 7.607 1.00 20.00 O ATOM 1062 CB ARG A 472 1.306 3.876 8.750 1.00 20.00 C ATOM 1063 CG ARG A 472 -0.104 3.256 8.694 1.00 20.00 C ATOM 1064 CD ARG A 472 -0.235 1.849 8.077 1.00 20.00 C ATOM 1065 NE ARG A 472 0.118 1.743 6.643 1.00 20.00 N ATOM 1066 CZ ARG A 472 -0.515 2.266 5.606 1.00 20.00 C ATOM 1067 NH1 ARG A 472 -1.579 3.005 5.732 1.00 20.00 N ATOM 1068 NH2 ARG A 472 -0.094 2.040 4.396 1.00 20.00 N ATOM 0 H ARG A 472 3.029 2.958 7.132 1.00 20.00 H new ATOM 0 HA ARG A 472 0.826 4.841 6.911 1.00 20.00 H new ATOM 0 HB2 ARG A 472 2.027 3.091 8.980 1.00 20.00 H new ATOM 0 HB3 ARG A 472 1.343 4.593 9.570 1.00 20.00 H new ATOM 0 HG2 ARG A 472 -0.495 3.216 9.711 1.00 20.00 H new ATOM 0 HG3 ARG A 472 -0.747 3.932 8.131 1.00 20.00 H new ATOM 0 HD2 ARG A 472 0.399 1.165 8.640 1.00 20.00 H new ATOM 0 HD3 ARG A 472 -1.263 1.510 8.206 1.00 20.00 H new ATOM 0 HE ARG A 472 0.953 1.199 6.428 1.00 20.00 H new ATOM 0 HH11 ARG A 472 -1.957 3.201 6.659 1.00 20.00 H new ATOM 0 HH12 ARG A 472 -2.035 3.388 4.904 1.00 20.00 H new ATOM 0 HH21 ARG A 472 0.729 1.457 4.243 1.00 20.00 H new ATOM 0 HH22 ARG A 472 -0.586 2.446 3.600 1.00 20.00 H new ATOM 1082 N HIS A 473 1.695 6.958 8.007 1.00 20.00 N ATOM 1083 CA HIS A 473 2.150 8.353 8.092 1.00 20.00 C ATOM 1084 C HIS A 473 1.709 9.022 9.413 1.00 20.00 C ATOM 1085 O HIS A 473 0.635 8.688 9.927 1.00 20.00 O ATOM 1086 CB HIS A 473 1.591 9.154 6.900 1.00 20.00 C ATOM 1087 CG HIS A 473 1.827 8.538 5.545 1.00 20.00 C ATOM 1088 ND1 HIS A 473 0.946 7.759 4.824 1.00 20.00 N ATOM 1089 CD2 HIS A 473 2.972 8.634 4.809 1.00 20.00 C ATOM 1090 CE1 HIS A 473 1.555 7.366 3.689 1.00 20.00 C ATOM 1091 NE2 HIS A 473 2.790 7.888 3.644 1.00 20.00 N ATOM 0 H HIS A 473 0.701 6.855 8.213 1.00 20.00 H new ATOM 0 HA HIS A 473 3.240 8.349 8.065 1.00 20.00 H new ATOM 0 HB2 HIS A 473 0.518 9.283 7.041 1.00 20.00 H new ATOM 0 HB3 HIS A 473 2.036 10.149 6.911 1.00 20.00 H new ATOM 0 HD1 HIS A 473 -0.006 7.521 5.103 1.00 20.00 H new ATOM 0 HD2 HIS A 473 3.859 9.188 5.079 1.00 20.00 H new ATOM 0 HE1 HIS A 473 1.118 6.730 2.933 1.00 20.00 H new ATOM 1099 N PRO A 474 2.468 10.002 9.947 1.00 20.00 N ATOM 1100 CA PRO A 474 2.064 10.774 11.124 1.00 20.00 C ATOM 1101 C PRO A 474 0.854 11.697 10.860 1.00 20.00 C ATOM 1102 O PRO A 474 0.566 12.029 9.701 1.00 20.00 O ATOM 1103 CB PRO A 474 3.299 11.589 11.538 1.00 20.00 C ATOM 1104 CG PRO A 474 4.467 10.913 10.827 1.00 20.00 C ATOM 1105 CD PRO A 474 3.815 10.388 9.556 1.00 20.00 C ATOM 0 HA PRO A 474 1.732 10.101 11.914 1.00 20.00 H new ATOM 0 HB2 PRO A 474 3.203 12.632 11.238 1.00 20.00 H new ATOM 0 HB3 PRO A 474 3.435 11.580 12.619 1.00 20.00 H new ATOM 0 HG2 PRO A 474 5.272 11.615 10.611 1.00 20.00 H new ATOM 0 HG3 PRO A 474 4.897 10.109 11.425 1.00 20.00 H new ATOM 0 HD2 PRO A 474 3.795 11.153 8.779 1.00 20.00 H new ATOM 0 HD3 PRO A 474 4.366 9.538 9.153 1.00 20.00 H new ATOM 1113 N PRO A 475 0.148 12.153 11.913 1.00 20.00 N ATOM 1114 CA PRO A 475 -0.890 13.181 11.812 1.00 20.00 C ATOM 1115 C PRO A 475 -0.300 14.573 11.509 1.00 20.00 C ATOM 1116 O PRO A 475 0.891 14.827 11.712 1.00 20.00 O ATOM 1117 CB PRO A 475 -1.614 13.146 13.162 1.00 20.00 C ATOM 1118 CG PRO A 475 -0.511 12.731 14.134 1.00 20.00 C ATOM 1119 CD PRO A 475 0.329 11.758 13.305 1.00 20.00 C ATOM 0 HA PRO A 475 -1.571 12.985 10.983 1.00 20.00 H new ATOM 0 HB2 PRO A 475 -2.034 14.118 13.420 1.00 20.00 H new ATOM 0 HB3 PRO A 475 -2.439 12.433 13.159 1.00 20.00 H new ATOM 0 HG2 PRO A 475 0.075 13.587 14.468 1.00 20.00 H new ATOM 0 HG3 PRO A 475 -0.917 12.255 15.026 1.00 20.00 H new ATOM 0 HD2 PRO A 475 1.380 11.808 13.591 1.00 20.00 H new ATOM 0 HD3 PRO A 475 0.004 10.730 13.464 1.00 20.00 H new ATOM 1127 N GLY A 476 -1.142 15.491 11.024 1.00 20.00 N ATOM 1128 CA GLY A 476 -0.746 16.865 10.669 1.00 20.00 C ATOM 1129 C GLY A 476 -0.031 17.001 9.312 1.00 20.00 C ATOM 1130 O GLY A 476 0.576 18.038 9.036 1.00 20.00 O ATOM 0 H GLY A 476 -2.131 15.302 10.863 1.00 20.00 H new ATOM 0 HA2 GLY A 476 -1.636 17.494 10.659 1.00 20.00 H new ATOM 0 HA3 GLY A 476 -0.091 17.252 11.449 1.00 20.00 H new ATOM 1134 N ARG A 477 -0.098 15.964 8.465 1.00 20.00 N ATOM 1135 CA ARG A 477 0.376 15.949 7.072 1.00 20.00 C ATOM 1136 C ARG A 477 -0.597 16.684 6.140 1.00 20.00 C ATOM 1137 O ARG A 477 -1.689 17.079 6.558 1.00 20.00 O ATOM 1138 CB ARG A 477 0.631 14.488 6.647 1.00 20.00 C ATOM 1139 CG ARG A 477 -0.643 13.629 6.548 1.00 20.00 C ATOM 1140 CD ARG A 477 -0.278 12.171 6.255 1.00 20.00 C ATOM 1141 NE ARG A 477 -1.479 11.316 6.192 1.00 20.00 N ATOM 1142 CZ ARG A 477 -2.072 10.688 7.194 1.00 20.00 C ATOM 1143 NH1 ARG A 477 -1.642 10.755 8.422 1.00 20.00 N ATOM 1144 NH2 ARG A 477 -3.129 9.962 6.974 1.00 20.00 N ATOM 0 H ARG A 477 -0.503 15.071 8.745 1.00 20.00 H new ATOM 0 HA ARG A 477 1.317 16.494 6.996 1.00 20.00 H new ATOM 0 HB2 ARG A 477 1.134 14.485 5.680 1.00 20.00 H new ATOM 0 HB3 ARG A 477 1.312 14.027 7.362 1.00 20.00 H new ATOM 0 HG2 ARG A 477 -1.205 13.690 7.480 1.00 20.00 H new ATOM 0 HG3 ARG A 477 -1.290 14.015 5.760 1.00 20.00 H new ATOM 0 HD2 ARG A 477 0.262 12.113 5.310 1.00 20.00 H new ATOM 0 HD3 ARG A 477 0.394 11.800 7.029 1.00 20.00 H new ATOM 0 HE ARG A 477 -1.900 11.195 5.271 1.00 20.00 H new ATOM 0 HH11 ARG A 477 -0.815 11.309 8.643 1.00 20.00 H new ATOM 0 HH12 ARG A 477 -2.133 10.253 9.162 1.00 20.00 H new ATOM 0 HH21 ARG A 477 -3.501 9.877 6.028 1.00 20.00 H new ATOM 0 HH22 ARG A 477 -3.585 9.478 7.747 1.00 20.00 H new ATOM 1158 N VAL A 478 -0.218 16.830 4.870 1.00 20.00 N ATOM 1159 CA VAL A 478 -1.064 17.441 3.827 1.00 20.00 C ATOM 1160 C VAL A 478 -1.059 16.593 2.552 1.00 20.00 C ATOM 1161 O VAL A 478 -0.005 16.163 2.085 1.00 20.00 O ATOM 1162 CB VAL A 478 -0.640 18.896 3.517 1.00 20.00 C ATOM 1163 CG1 VAL A 478 -1.606 19.576 2.535 1.00 20.00 C ATOM 1164 CG2 VAL A 478 -0.586 19.773 4.777 1.00 20.00 C ATOM 0 H VAL A 478 0.693 16.526 4.526 1.00 20.00 H new ATOM 0 HA VAL A 478 -2.081 17.474 4.217 1.00 20.00 H new ATOM 0 HB VAL A 478 0.355 18.812 3.080 1.00 20.00 H new ATOM 0 HG11 VAL A 478 -1.272 20.596 2.344 1.00 20.00 H new ATOM 0 HG12 VAL A 478 -1.625 19.019 1.598 1.00 20.00 H new ATOM 0 HG13 VAL A 478 -2.607 19.596 2.965 1.00 20.00 H new ATOM 0 HG21 VAL A 478 -0.283 20.784 4.504 1.00 20.00 H new ATOM 0 HG22 VAL A 478 -1.571 19.802 5.242 1.00 20.00 H new ATOM 0 HG23 VAL A 478 0.135 19.356 5.480 1.00 20.00 H new ATOM 1174 N LEU A 479 -2.249 16.384 1.987 1.00 20.00 N ATOM 1175 CA LEU A 479 -2.518 15.683 0.725 1.00 20.00 C ATOM 1176 C LEU A 479 -3.630 16.420 -0.056 1.00 20.00 C ATOM 1177 O LEU A 479 -4.520 17.004 0.576 1.00 20.00 O ATOM 1178 CB LEU A 479 -2.953 14.231 1.023 1.00 20.00 C ATOM 1179 CG LEU A 479 -1.868 13.295 1.591 1.00 20.00 C ATOM 1180 CD1 LEU A 479 -2.482 11.926 1.889 1.00 20.00 C ATOM 1181 CD2 LEU A 479 -0.706 13.081 0.620 1.00 20.00 C ATOM 0 H LEU A 479 -3.107 16.720 2.424 1.00 20.00 H new ATOM 0 HA LEU A 479 -1.612 15.667 0.119 1.00 20.00 H new ATOM 0 HB2 LEU A 479 -3.783 14.261 1.729 1.00 20.00 H new ATOM 0 HB3 LEU A 479 -3.335 13.792 0.101 1.00 20.00 H new ATOM 0 HG LEU A 479 -1.483 13.772 2.492 1.00 20.00 H new ATOM 0 HD11 LEU A 479 -1.716 11.263 2.291 1.00 20.00 H new ATOM 0 HD12 LEU A 479 -3.284 12.038 2.619 1.00 20.00 H new ATOM 0 HD13 LEU A 479 -2.885 11.500 0.970 1.00 20.00 H new ATOM 0 HD21 LEU A 479 0.028 12.414 1.072 1.00 20.00 H new ATOM 0 HD22 LEU A 479 -1.080 12.637 -0.303 1.00 20.00 H new ATOM 0 HD23 LEU A 479 -0.237 14.039 0.397 1.00 20.00 H new ATOM 1193 N PRO A 480 -3.625 16.402 -1.404 1.00 20.00 N ATOM 1194 CA PRO A 480 -4.680 17.014 -2.215 1.00 20.00 C ATOM 1195 C PRO A 480 -6.005 16.237 -2.124 1.00 20.00 C ATOM 1196 O PRO A 480 -6.023 15.017 -1.938 1.00 20.00 O ATOM 1197 CB PRO A 480 -4.125 17.045 -3.643 1.00 20.00 C ATOM 1198 CG PRO A 480 -3.201 15.829 -3.678 1.00 20.00 C ATOM 1199 CD PRO A 480 -2.617 15.797 -2.265 1.00 20.00 C ATOM 0 HA PRO A 480 -4.926 18.015 -1.861 1.00 20.00 H new ATOM 0 HB2 PRO A 480 -4.919 16.970 -4.386 1.00 20.00 H new ATOM 0 HB3 PRO A 480 -3.584 17.969 -3.846 1.00 20.00 H new ATOM 0 HG2 PRO A 480 -3.747 14.914 -3.909 1.00 20.00 H new ATOM 0 HG3 PRO A 480 -2.423 15.936 -4.434 1.00 20.00 H new ATOM 0 HD2 PRO A 480 -2.400 14.775 -1.955 1.00 20.00 H new ATOM 0 HD3 PRO A 480 -1.679 16.350 -2.217 1.00 20.00 H new