USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=19 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 174:sc= 0.0423 USER MOD Set 1.2: A 464 CYS SG : rot -149:sc= 0.163 USER MOD Set 1.3: A 469 CYS SG : rot -126:sc= 0.171 USER MOD Set 1.4: A 473 HIS : no HE2:sc= 0.236 X(o=0.61,f=0.27) USER MOD Set 2.1: A 437 CYS SG : rot -156:sc= 0.127 USER MOD Set 2.2: A 443 CYS SG : rot -157:sc= 0.399 USER MOD Set 2.3: A 448 CYS SG : rot -138:sc= -0.437 USER MOD Set 2.4: A 452 HIS : no HE2:sc= -5.29! C(o=-5.2!,f=-2.9!) USER MOD Set 3.1: A 415 CYS SG : rot -161:sc= 0.42 USER MOD Set 3.2: A 421 CYS SG : rot -166:sc= 0.187 USER MOD Set 3.3: A 423 ASN : amide:sc= 1.05 X(o=-0.73,f=-1) USER MOD Set 3.4: A 426 CYS SG : rot -136:sc= 0.696 USER MOD Set 3.5: A 430 HIS : no HE2:sc= -3.09 K(o=-0.73,f=0.58) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 414 GLN : amide:sc= 1.63 K(o=1.6,f=-5.9!) USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=-0.037) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.21) USER MOD Single : A 436 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 442 ASN : amide:sc= 0.713 K(o=0.71,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=-0.75) USER MOD Single : A 463 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 466 ASN : amide:sc= -0.239 K(o=-0.24,f=-4!) USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 409 -0.533 -16.316 -4.754 1.00 20.00 N ATOM 62 CA GLU A 409 -0.621 -14.910 -4.322 1.00 20.00 C ATOM 63 C GLU A 409 -1.695 -14.635 -3.257 1.00 20.00 C ATOM 64 O GLU A 409 -2.283 -13.559 -3.198 1.00 20.00 O ATOM 65 CB GLU A 409 -0.734 -13.958 -5.527 1.00 20.00 C ATOM 66 CG GLU A 409 -1.946 -14.193 -6.449 1.00 20.00 C ATOM 67 CD GLU A 409 -1.672 -15.256 -7.531 1.00 20.00 C ATOM 68 OE1 GLU A 409 -1.836 -16.467 -7.248 1.00 20.00 O ATOM 69 OE2 GLU A 409 -1.294 -14.888 -8.671 1.00 20.00 O ATOM 0 HA GLU A 409 0.321 -14.702 -3.815 1.00 20.00 H new ATOM 0 HB2 GLU A 409 -0.776 -12.934 -5.156 1.00 20.00 H new ATOM 0 HB3 GLU A 409 0.175 -14.045 -6.122 1.00 20.00 H new ATOM 0 HG2 GLU A 409 -2.800 -14.504 -5.848 1.00 20.00 H new ATOM 0 HG3 GLU A 409 -2.220 -13.254 -6.929 1.00 20.00 H new ATOM 76 N LYS A 410 -1.975 -15.635 -2.424 1.00 20.00 N ATOM 77 CA LYS A 410 -3.221 -15.776 -1.656 1.00 20.00 C ATOM 78 C LYS A 410 -3.127 -15.273 -0.215 1.00 20.00 C ATOM 79 O LYS A 410 -4.062 -15.433 0.571 1.00 20.00 O ATOM 80 CB LYS A 410 -3.702 -17.232 -1.759 1.00 20.00 C ATOM 81 CG LYS A 410 -5.234 -17.340 -1.745 1.00 20.00 C ATOM 82 CD LYS A 410 -5.699 -18.790 -1.925 1.00 20.00 C ATOM 83 CE LYS A 410 -7.230 -18.834 -1.976 1.00 20.00 C ATOM 84 NZ LYS A 410 -7.735 -20.221 -2.155 1.00 20.00 N ATOM 0 H LYS A 410 -1.321 -16.399 -2.256 1.00 20.00 H new ATOM 0 HA LYS A 410 -3.970 -15.119 -2.100 1.00 20.00 H new ATOM 0 HB2 LYS A 410 -3.317 -17.676 -2.677 1.00 20.00 H new ATOM 0 HB3 LYS A 410 -3.291 -17.808 -0.930 1.00 20.00 H new ATOM 0 HG2 LYS A 410 -5.618 -16.948 -0.803 1.00 20.00 H new ATOM 0 HG3 LYS A 410 -5.650 -16.722 -2.541 1.00 20.00 H new ATOM 0 HD2 LYS A 410 -5.282 -19.205 -2.842 1.00 20.00 H new ATOM 0 HD3 LYS A 410 -5.334 -19.405 -1.102 1.00 20.00 H new ATOM 0 HE2 LYS A 410 -7.637 -18.415 -1.056 1.00 20.00 H new ATOM 0 HE3 LYS A 410 -7.585 -18.209 -2.795 1.00 20.00 H new ATOM 0 HZ1 LYS A 410 -8.775 -20.211 -2.185 1.00 20.00 H new ATOM 0 HZ2 LYS A 410 -7.367 -20.612 -3.045 1.00 20.00 H new ATOM 0 HZ3 LYS A 410 -7.417 -20.811 -1.360 1.00 20.00 H new ATOM 98 N SER A 411 -2.002 -14.657 0.135 1.00 20.00 N ATOM 99 CA SER A 411 -1.841 -13.959 1.402 1.00 20.00 C ATOM 100 C SER A 411 -2.558 -12.606 1.379 1.00 20.00 C ATOM 101 O SER A 411 -2.554 -11.906 0.364 1.00 20.00 O ATOM 102 CB SER A 411 -0.367 -13.767 1.745 1.00 20.00 C ATOM 103 OG SER A 411 -0.249 -13.193 3.037 1.00 20.00 O ATOM 0 H SER A 411 -1.172 -14.629 -0.458 1.00 20.00 H new ATOM 0 HA SER A 411 -2.294 -14.579 2.175 1.00 20.00 H new ATOM 0 HB2 SER A 411 0.152 -14.725 1.713 1.00 20.00 H new ATOM 0 HB3 SER A 411 0.108 -13.123 1.005 1.00 20.00 H new ATOM 0 HG SER A 411 0.699 -13.072 3.256 1.00 20.00 H new ATOM 109 N LEU A 412 -3.134 -12.215 2.517 1.00 20.00 N ATOM 110 CA LEU A 412 -3.742 -10.892 2.720 1.00 20.00 C ATOM 111 C LEU A 412 -2.737 -9.815 3.171 1.00 20.00 C ATOM 112 O LEU A 412 -3.117 -8.667 3.402 1.00 20.00 O ATOM 113 CB LEU A 412 -4.965 -10.996 3.652 1.00 20.00 C ATOM 114 CG LEU A 412 -6.126 -11.836 3.092 1.00 20.00 C ATOM 115 CD1 LEU A 412 -7.296 -11.804 4.075 1.00 20.00 C ATOM 116 CD2 LEU A 412 -6.625 -11.314 1.743 1.00 20.00 C ATOM 0 H LEU A 412 -3.194 -12.816 3.339 1.00 20.00 H new ATOM 0 HA LEU A 412 -4.091 -10.548 1.746 1.00 20.00 H new ATOM 0 HB2 LEU A 412 -4.647 -11.427 4.601 1.00 20.00 H new ATOM 0 HB3 LEU A 412 -5.330 -9.991 3.865 1.00 20.00 H new ATOM 0 HG LEU A 412 -5.750 -12.849 2.952 1.00 20.00 H new ATOM 0 HD11 LEU A 412 -8.120 -12.399 3.680 1.00 20.00 H new ATOM 0 HD12 LEU A 412 -6.978 -12.216 5.033 1.00 20.00 H new ATOM 0 HD13 LEU A 412 -7.626 -10.775 4.214 1.00 20.00 H new ATOM 0 HD21 LEU A 412 -7.444 -11.941 1.391 1.00 20.00 H new ATOM 0 HD22 LEU A 412 -6.976 -10.288 1.857 1.00 20.00 H new ATOM 0 HD23 LEU A 412 -5.811 -11.340 1.019 1.00 20.00 H new ATOM 128 N GLU A 413 -1.446 -10.131 3.233 1.00 20.00 N ATOM 129 CA GLU A 413 -0.394 -9.110 3.251 1.00 20.00 C ATOM 130 C GLU A 413 -0.262 -8.428 1.865 1.00 20.00 C ATOM 131 O GLU A 413 -0.954 -8.770 0.897 1.00 20.00 O ATOM 132 CB GLU A 413 0.915 -9.759 3.738 1.00 20.00 C ATOM 133 CG GLU A 413 1.857 -8.830 4.518 1.00 20.00 C ATOM 134 CD GLU A 413 1.283 -8.443 5.895 1.00 20.00 C ATOM 135 OE1 GLU A 413 1.455 -9.214 6.870 1.00 20.00 O ATOM 136 OE2 GLU A 413 0.664 -7.359 6.008 1.00 20.00 O ATOM 0 H GLU A 413 -1.099 -11.089 3.272 1.00 20.00 H new ATOM 0 HA GLU A 413 -0.650 -8.311 3.947 1.00 20.00 H new ATOM 0 HB2 GLU A 413 0.666 -10.611 4.371 1.00 20.00 H new ATOM 0 HB3 GLU A 413 1.451 -10.150 2.873 1.00 20.00 H new ATOM 0 HG2 GLU A 413 2.820 -9.322 4.653 1.00 20.00 H new ATOM 0 HG3 GLU A 413 2.039 -7.927 3.935 1.00 20.00 H new ATOM 143 N GLN A 414 0.634 -7.453 1.751 1.00 20.00 N ATOM 144 CA GLN A 414 0.978 -6.768 0.502 1.00 20.00 C ATOM 145 C GLN A 414 2.503 -6.647 0.374 1.00 20.00 C ATOM 146 O GLN A 414 3.223 -6.481 1.361 1.00 20.00 O ATOM 147 CB GLN A 414 0.231 -5.424 0.400 1.00 20.00 C ATOM 148 CG GLN A 414 0.635 -4.562 -0.811 1.00 20.00 C ATOM 149 CD GLN A 414 -0.413 -3.532 -1.218 1.00 20.00 C ATOM 150 OE1 GLN A 414 -0.353 -2.363 -0.880 1.00 20.00 O ATOM 151 NE2 GLN A 414 -1.395 -3.913 -2.007 1.00 20.00 N ATOM 0 H GLN A 414 1.161 -7.103 2.551 1.00 20.00 H new ATOM 0 HA GLN A 414 0.645 -7.356 -0.353 1.00 20.00 H new ATOM 0 HB2 GLN A 414 -0.840 -5.620 0.350 1.00 20.00 H new ATOM 0 HB3 GLN A 414 0.408 -4.854 1.312 1.00 20.00 H new ATOM 0 HG2 GLN A 414 1.567 -4.045 -0.581 1.00 20.00 H new ATOM 0 HG3 GLN A 414 0.834 -5.217 -1.659 1.00 20.00 H new ATOM 0 HE21 GLN A 414 -1.464 -4.887 -2.302 1.00 20.00 H new ATOM 0 HE22 GLN A 414 -2.087 -3.234 -2.324 1.00 20.00 H new ATOM 160 N CYS A 415 2.977 -6.777 -0.861 1.00 20.00 N ATOM 161 CA CYS A 415 4.378 -6.719 -1.242 1.00 20.00 C ATOM 162 C CYS A 415 5.070 -5.380 -0.917 1.00 20.00 C ATOM 163 O CYS A 415 4.431 -4.337 -0.741 1.00 20.00 O ATOM 164 CB CYS A 415 4.453 -7.066 -2.714 1.00 20.00 C ATOM 165 SG CYS A 415 6.144 -7.667 -3.093 1.00 20.00 S ATOM 0 H CYS A 415 2.362 -6.933 -1.660 1.00 20.00 H new ATOM 0 HA CYS A 415 4.937 -7.438 -0.643 1.00 20.00 H new ATOM 0 HB2 CYS A 415 3.716 -7.831 -2.960 1.00 20.00 H new ATOM 0 HB3 CYS A 415 4.218 -6.191 -3.321 1.00 20.00 H new ATOM 0 HG CYS A 415 6.358 -7.582 -4.372 1.00 20.00 H new ATOM 170 N LYS A 416 6.403 -5.421 -0.873 1.00 20.00 N ATOM 171 CA LYS A 416 7.280 -4.316 -0.457 1.00 20.00 C ATOM 172 C LYS A 416 7.434 -3.209 -1.505 1.00 20.00 C ATOM 173 O LYS A 416 7.734 -2.075 -1.133 1.00 20.00 O ATOM 174 CB LYS A 416 8.667 -4.874 -0.101 1.00 20.00 C ATOM 175 CG LYS A 416 8.648 -5.801 1.126 1.00 20.00 C ATOM 176 CD LYS A 416 10.042 -6.352 1.458 1.00 20.00 C ATOM 177 CE LYS A 416 11.014 -5.241 1.882 1.00 20.00 C ATOM 178 NZ LYS A 416 12.320 -5.795 2.324 1.00 20.00 N ATOM 0 H LYS A 416 6.925 -6.257 -1.136 1.00 20.00 H new ATOM 0 HA LYS A 416 6.802 -3.855 0.407 1.00 20.00 H new ATOM 0 HB2 LYS A 416 9.062 -5.422 -0.957 1.00 20.00 H new ATOM 0 HB3 LYS A 416 9.348 -4.044 0.088 1.00 20.00 H new ATOM 0 HG2 LYS A 416 8.261 -5.255 1.986 1.00 20.00 H new ATOM 0 HG3 LYS A 416 7.966 -6.631 0.942 1.00 20.00 H new ATOM 0 HD2 LYS A 416 9.960 -7.087 2.259 1.00 20.00 H new ATOM 0 HD3 LYS A 416 10.443 -6.872 0.588 1.00 20.00 H new ATOM 0 HE2 LYS A 416 11.172 -4.557 1.048 1.00 20.00 H new ATOM 0 HE3 LYS A 416 10.572 -4.660 2.691 1.00 20.00 H new ATOM 0 HZ1 LYS A 416 12.951 -5.017 2.603 1.00 20.00 H new ATOM 0 HZ2 LYS A 416 12.172 -6.428 3.136 1.00 20.00 H new ATOM 0 HZ3 LYS A 416 12.753 -6.329 1.543 1.00 20.00 H new ATOM 192 N PHE A 417 7.268 -3.526 -2.795 1.00 20.00 N ATOM 193 CA PHE A 417 7.715 -2.659 -3.894 1.00 20.00 C ATOM 194 C PHE A 417 6.596 -2.163 -4.829 1.00 20.00 C ATOM 195 O PHE A 417 6.870 -1.351 -5.710 1.00 20.00 O ATOM 196 CB PHE A 417 8.836 -3.390 -4.653 1.00 20.00 C ATOM 197 CG PHE A 417 9.969 -3.901 -3.773 1.00 20.00 C ATOM 198 CD1 PHE A 417 10.772 -2.994 -3.053 1.00 20.00 C ATOM 199 CD2 PHE A 417 10.205 -5.284 -3.651 1.00 20.00 C ATOM 200 CE1 PHE A 417 11.806 -3.466 -2.224 1.00 20.00 C ATOM 201 CE2 PHE A 417 11.242 -5.756 -2.824 1.00 20.00 C ATOM 202 CZ PHE A 417 12.043 -4.847 -2.112 1.00 20.00 C ATOM 0 H PHE A 417 6.821 -4.388 -3.107 1.00 20.00 H new ATOM 0 HA PHE A 417 8.091 -1.735 -3.456 1.00 20.00 H new ATOM 0 HB2 PHE A 417 8.403 -4.233 -5.191 1.00 20.00 H new ATOM 0 HB3 PHE A 417 9.251 -2.714 -5.401 1.00 20.00 H new ATOM 0 HD1 PHE A 417 10.593 -1.932 -3.138 1.00 20.00 H new ATOM 0 HD2 PHE A 417 9.588 -5.985 -4.194 1.00 20.00 H new ATOM 0 HE1 PHE A 417 12.418 -2.767 -1.673 1.00 20.00 H new ATOM 0 HE2 PHE A 417 11.422 -6.817 -2.737 1.00 20.00 H new ATOM 0 HZ PHE A 417 12.840 -5.209 -1.479 1.00 20.00 H new ATOM 212 N GLY A 418 5.340 -2.598 -4.653 1.00 20.00 N ATOM 213 CA GLY A 418 4.187 -2.103 -5.426 1.00 20.00 C ATOM 214 C GLY A 418 4.368 -2.184 -6.950 1.00 20.00 C ATOM 215 O GLY A 418 4.573 -3.268 -7.502 1.00 20.00 O ATOM 0 H GLY A 418 5.092 -3.309 -3.965 1.00 20.00 H new ATOM 0 HA2 GLY A 418 3.303 -2.676 -5.146 1.00 20.00 H new ATOM 0 HA3 GLY A 418 3.996 -1.066 -5.149 1.00 20.00 H new ATOM 219 N THR A 419 4.316 -1.033 -7.629 1.00 20.00 N ATOM 220 CA THR A 419 4.586 -0.853 -9.072 1.00 20.00 C ATOM 221 C THR A 419 6.000 -1.277 -9.486 1.00 20.00 C ATOM 222 O THR A 419 6.212 -1.682 -10.631 1.00 20.00 O ATOM 223 CB THR A 419 4.430 0.628 -9.473 1.00 20.00 C ATOM 224 OG1 THR A 419 5.138 1.458 -8.573 1.00 20.00 O ATOM 225 CG2 THR A 419 2.977 1.095 -9.474 1.00 20.00 C ATOM 0 H THR A 419 4.073 -0.155 -7.171 1.00 20.00 H new ATOM 0 HA THR A 419 3.861 -1.491 -9.578 1.00 20.00 H new ATOM 0 HB THR A 419 4.826 0.704 -10.486 1.00 20.00 H new ATOM 0 HG1 THR A 419 5.032 2.395 -8.840 1.00 20.00 H new ATOM 0 HG21 THR A 419 2.932 2.145 -9.764 1.00 20.00 H new ATOM 0 HG22 THR A 419 2.403 0.498 -10.183 1.00 20.00 H new ATOM 0 HG23 THR A 419 2.556 0.976 -8.476 1.00 20.00 H new ATOM 233 N HIS A 420 6.964 -1.213 -8.564 1.00 20.00 N ATOM 234 CA HIS A 420 8.370 -1.561 -8.780 1.00 20.00 C ATOM 235 C HIS A 420 8.666 -3.049 -8.524 1.00 20.00 C ATOM 236 O HIS A 420 9.777 -3.496 -8.822 1.00 20.00 O ATOM 237 CB HIS A 420 9.245 -0.618 -7.933 1.00 20.00 C ATOM 238 CG HIS A 420 10.719 -0.671 -8.258 1.00 20.00 C ATOM 239 ND1 HIS A 420 11.327 -0.085 -9.374 1.00 20.00 N ATOM 240 CD2 HIS A 420 11.679 -1.284 -7.505 1.00 20.00 C ATOM 241 CE1 HIS A 420 12.638 -0.367 -9.269 1.00 20.00 C ATOM 242 NE2 HIS A 420 12.876 -1.084 -8.157 1.00 20.00 N ATOM 0 H HIS A 420 6.779 -0.905 -7.609 1.00 20.00 H new ATOM 0 HA HIS A 420 8.613 -1.418 -9.833 1.00 20.00 H new ATOM 0 HB2 HIS A 420 8.892 0.404 -8.069 1.00 20.00 H new ATOM 0 HB3 HIS A 420 9.109 -0.865 -6.880 1.00 20.00 H new ATOM 0 HD2 HIS A 420 11.529 -1.820 -6.580 1.00 20.00 H new ATOM 0 HE1 HIS A 420 13.393 -0.061 -9.978 1.00 20.00 H new ATOM 0 HE2 HIS A 420 13.788 -1.422 -7.849 1.00 20.00 H new ATOM 250 N CYS A 421 7.703 -3.844 -8.025 1.00 20.00 N ATOM 251 CA CYS A 421 7.877 -5.294 -7.952 1.00 20.00 C ATOM 252 C CYS A 421 7.971 -5.914 -9.367 1.00 20.00 C ATOM 253 O CYS A 421 7.349 -5.417 -10.315 1.00 20.00 O ATOM 254 CB CYS A 421 6.793 -5.958 -7.105 1.00 20.00 C ATOM 255 SG CYS A 421 7.439 -7.627 -6.684 1.00 20.00 S ATOM 0 H CYS A 421 6.808 -3.506 -7.671 1.00 20.00 H new ATOM 0 HA CYS A 421 8.824 -5.487 -7.447 1.00 20.00 H new ATOM 0 HB2 CYS A 421 6.591 -5.378 -6.204 1.00 20.00 H new ATOM 0 HB3 CYS A 421 5.855 -6.029 -7.656 1.00 20.00 H new ATOM 0 HG CYS A 421 6.473 -8.360 -6.215 1.00 20.00 H new ATOM 260 N THR A 422 8.724 -7.006 -9.505 1.00 20.00 N ATOM 261 CA THR A 422 8.992 -7.704 -10.779 1.00 20.00 C ATOM 262 C THR A 422 8.881 -9.234 -10.695 1.00 20.00 C ATOM 263 O THR A 422 9.080 -9.916 -11.705 1.00 20.00 O ATOM 264 CB THR A 422 10.386 -7.336 -11.330 1.00 20.00 C ATOM 265 OG1 THR A 422 11.392 -7.645 -10.382 1.00 20.00 O ATOM 266 CG2 THR A 422 10.512 -5.853 -11.684 1.00 20.00 C ATOM 0 H THR A 422 9.183 -7.450 -8.710 1.00 20.00 H new ATOM 0 HA THR A 422 8.209 -7.360 -11.455 1.00 20.00 H new ATOM 0 HB THR A 422 10.513 -7.923 -12.240 1.00 20.00 H new ATOM 0 HG1 THR A 422 12.270 -7.407 -10.747 1.00 20.00 H new ATOM 0 HG21 THR A 422 11.513 -5.654 -12.066 1.00 20.00 H new ATOM 0 HG22 THR A 422 9.775 -5.597 -12.446 1.00 20.00 H new ATOM 0 HG23 THR A 422 10.337 -5.250 -10.793 1.00 20.00 H new ATOM 274 N ASN A 423 8.567 -9.818 -9.529 1.00 20.00 N ATOM 275 CA ASN A 423 8.597 -11.269 -9.310 1.00 20.00 C ATOM 276 C ASN A 423 7.281 -11.957 -9.727 1.00 20.00 C ATOM 277 O ASN A 423 6.187 -11.499 -9.387 1.00 20.00 O ATOM 278 CB ASN A 423 8.928 -11.497 -7.824 1.00 20.00 C ATOM 279 CG ASN A 423 8.909 -12.955 -7.396 1.00 20.00 C ATOM 280 OD1 ASN A 423 9.254 -13.861 -8.143 1.00 20.00 O ATOM 281 ND2 ASN A 423 8.475 -13.238 -6.194 1.00 20.00 N ATOM 0 H ASN A 423 8.282 -9.290 -8.704 1.00 20.00 H new ATOM 0 HA ASN A 423 9.359 -11.725 -9.942 1.00 20.00 H new ATOM 0 HB2 ASN A 423 9.914 -11.082 -7.616 1.00 20.00 H new ATOM 0 HB3 ASN A 423 8.214 -10.942 -7.215 1.00 20.00 H new ATOM 0 HD21 ASN A 423 8.426 -14.209 -5.885 1.00 20.00 H new ATOM 0 HD22 ASN A 423 8.186 -12.488 -5.566 1.00 20.00 H new ATOM 288 N LYS A 424 7.390 -13.105 -10.411 1.00 20.00 N ATOM 289 CA LYS A 424 6.253 -13.925 -10.880 1.00 20.00 C ATOM 290 C LYS A 424 5.642 -14.844 -9.807 1.00 20.00 C ATOM 291 O LYS A 424 4.574 -15.413 -10.035 1.00 20.00 O ATOM 292 CB LYS A 424 6.687 -14.743 -12.116 1.00 20.00 C ATOM 293 CG LYS A 424 7.244 -13.917 -13.292 1.00 20.00 C ATOM 294 CD LYS A 424 6.299 -12.840 -13.851 1.00 20.00 C ATOM 295 CE LYS A 424 4.993 -13.440 -14.390 1.00 20.00 C ATOM 296 NZ LYS A 424 4.130 -12.402 -15.012 1.00 20.00 N ATOM 0 H LYS A 424 8.295 -13.504 -10.662 1.00 20.00 H new ATOM 0 HA LYS A 424 5.457 -13.228 -11.141 1.00 20.00 H new ATOM 0 HB2 LYS A 424 7.446 -15.462 -11.807 1.00 20.00 H new ATOM 0 HB3 LYS A 424 5.830 -15.317 -12.470 1.00 20.00 H new ATOM 0 HG2 LYS A 424 8.166 -13.434 -12.969 1.00 20.00 H new ATOM 0 HG3 LYS A 424 7.507 -14.599 -14.100 1.00 20.00 H new ATOM 0 HD2 LYS A 424 6.069 -12.118 -13.067 1.00 20.00 H new ATOM 0 HD3 LYS A 424 6.803 -12.295 -14.649 1.00 20.00 H new ATOM 0 HE2 LYS A 424 5.222 -14.212 -15.125 1.00 20.00 H new ATOM 0 HE3 LYS A 424 4.452 -13.925 -13.577 1.00 20.00 H new ATOM 0 HZ1 LYS A 424 3.257 -12.843 -15.365 1.00 20.00 H new ATOM 0 HZ2 LYS A 424 3.891 -11.679 -14.304 1.00 20.00 H new ATOM 0 HZ3 LYS A 424 4.638 -11.957 -15.803 1.00 20.00 H new ATOM 310 N ARG A 425 6.312 -15.001 -8.658 1.00 20.00 N ATOM 311 CA ARG A 425 5.988 -15.973 -7.585 1.00 20.00 C ATOM 312 C ARG A 425 5.723 -15.339 -6.205 1.00 20.00 C ATOM 313 O ARG A 425 5.817 -16.023 -5.183 1.00 20.00 O ATOM 314 CB ARG A 425 7.071 -17.073 -7.539 1.00 20.00 C ATOM 315 CG ARG A 425 7.177 -17.859 -8.857 1.00 20.00 C ATOM 316 CD ARG A 425 8.181 -19.013 -8.734 1.00 20.00 C ATOM 317 NE ARG A 425 8.273 -19.786 -9.989 1.00 20.00 N ATOM 318 CZ ARG A 425 9.038 -19.530 -11.037 1.00 20.00 C ATOM 319 NH1 ARG A 425 9.849 -18.510 -11.077 1.00 20.00 N ATOM 320 NH2 ARG A 425 8.999 -20.305 -12.082 1.00 20.00 N ATOM 0 H ARG A 425 7.130 -14.435 -8.433 1.00 20.00 H new ATOM 0 HA ARG A 425 5.031 -16.426 -7.843 1.00 20.00 H new ATOM 0 HB2 ARG A 425 8.036 -16.618 -7.314 1.00 20.00 H new ATOM 0 HB3 ARG A 425 6.847 -17.764 -6.726 1.00 20.00 H new ATOM 0 HG2 ARG A 425 6.198 -18.253 -9.129 1.00 20.00 H new ATOM 0 HG3 ARG A 425 7.485 -17.189 -9.660 1.00 20.00 H new ATOM 0 HD2 ARG A 425 9.163 -18.616 -8.477 1.00 20.00 H new ATOM 0 HD3 ARG A 425 7.881 -19.673 -7.920 1.00 20.00 H new ATOM 0 HE ARG A 425 7.678 -20.612 -10.055 1.00 20.00 H new ATOM 0 HH11 ARG A 425 9.910 -17.875 -10.281 1.00 20.00 H new ATOM 0 HH12 ARG A 425 10.423 -18.347 -11.904 1.00 20.00 H new ATOM 0 HH21 ARG A 425 8.377 -21.113 -12.095 1.00 20.00 H new ATOM 0 HH22 ARG A 425 9.591 -20.104 -12.888 1.00 20.00 H new ATOM 334 N CYS A 426 5.406 -14.041 -6.158 1.00 20.00 N ATOM 335 CA CYS A 426 5.062 -13.350 -4.928 1.00 20.00 C ATOM 336 C CYS A 426 3.759 -13.876 -4.304 1.00 20.00 C ATOM 337 O CYS A 426 2.787 -14.175 -5.004 1.00 20.00 O ATOM 338 CB CYS A 426 4.985 -11.882 -5.226 1.00 20.00 C ATOM 339 SG CYS A 426 6.573 -11.046 -4.979 1.00 20.00 S ATOM 0 H CYS A 426 5.383 -13.443 -6.984 1.00 20.00 H new ATOM 0 HA CYS A 426 5.834 -13.537 -4.182 1.00 20.00 H new ATOM 0 HB2 CYS A 426 4.658 -11.739 -6.256 1.00 20.00 H new ATOM 0 HB3 CYS A 426 4.232 -11.423 -4.586 1.00 20.00 H new ATOM 0 HG CYS A 426 6.380 -9.925 -4.349 1.00 20.00 H new ATOM 344 N LYS A 427 3.731 -13.924 -2.970 1.00 20.00 N ATOM 345 CA LYS A 427 2.600 -14.455 -2.198 1.00 20.00 C ATOM 346 C LYS A 427 1.508 -13.427 -1.878 1.00 20.00 C ATOM 347 O LYS A 427 0.517 -13.801 -1.255 1.00 20.00 O ATOM 348 CB LYS A 427 3.101 -15.204 -0.949 1.00 20.00 C ATOM 349 CG LYS A 427 3.950 -16.436 -1.311 1.00 20.00 C ATOM 350 CD LYS A 427 4.315 -17.289 -0.086 1.00 20.00 C ATOM 351 CE LYS A 427 5.203 -16.526 0.906 1.00 20.00 C ATOM 352 NZ LYS A 427 5.596 -17.376 2.060 1.00 20.00 N ATOM 0 H LYS A 427 4.500 -13.592 -2.387 1.00 20.00 H new ATOM 0 HA LYS A 427 2.097 -15.172 -2.847 1.00 20.00 H new ATOM 0 HB2 LYS A 427 3.692 -14.526 -0.334 1.00 20.00 H new ATOM 0 HB3 LYS A 427 2.247 -15.517 -0.348 1.00 20.00 H new ATOM 0 HG2 LYS A 427 3.403 -17.051 -2.026 1.00 20.00 H new ATOM 0 HG3 LYS A 427 4.865 -16.109 -1.806 1.00 20.00 H new ATOM 0 HD2 LYS A 427 3.403 -17.609 0.417 1.00 20.00 H new ATOM 0 HD3 LYS A 427 4.831 -18.191 -0.414 1.00 20.00 H new ATOM 0 HE2 LYS A 427 6.098 -16.171 0.395 1.00 20.00 H new ATOM 0 HE3 LYS A 427 4.672 -15.646 1.267 1.00 20.00 H new ATOM 0 HZ1 LYS A 427 6.195 -16.826 2.708 1.00 20.00 H new ATOM 0 HZ2 LYS A 427 4.743 -17.694 2.563 1.00 20.00 H new ATOM 0 HZ3 LYS A 427 6.125 -18.203 1.718 1.00 20.00 H new ATOM 366 N TYR A 428 1.646 -12.161 -2.291 1.00 20.00 N ATOM 367 CA TYR A 428 0.936 -11.037 -1.674 1.00 20.00 C ATOM 368 C TYR A 428 0.096 -10.249 -2.686 1.00 20.00 C ATOM 369 O TYR A 428 0.204 -10.455 -3.900 1.00 20.00 O ATOM 370 CB TYR A 428 1.988 -10.136 -1.001 1.00 20.00 C ATOM 371 CG TYR A 428 3.078 -10.906 -0.277 1.00 20.00 C ATOM 372 CD1 TYR A 428 2.762 -11.607 0.898 1.00 20.00 C ATOM 373 CD2 TYR A 428 4.359 -11.031 -0.849 1.00 20.00 C ATOM 374 CE1 TYR A 428 3.722 -12.437 1.507 1.00 20.00 C ATOM 375 CE2 TYR A 428 5.319 -11.869 -0.251 1.00 20.00 C ATOM 376 CZ TYR A 428 5.009 -12.563 0.938 1.00 20.00 C ATOM 377 OH TYR A 428 5.926 -13.387 1.516 1.00 20.00 O ATOM 0 H TYR A 428 2.254 -11.888 -3.063 1.00 20.00 H new ATOM 0 HA TYR A 428 0.228 -11.417 -0.938 1.00 20.00 H new ATOM 0 HB2 TYR A 428 2.447 -9.500 -1.758 1.00 20.00 H new ATOM 0 HB3 TYR A 428 1.488 -9.477 -0.291 1.00 20.00 H new ATOM 0 HD1 TYR A 428 1.780 -11.509 1.336 1.00 20.00 H new ATOM 0 HD2 TYR A 428 4.605 -10.484 -1.747 1.00 20.00 H new ATOM 0 HE1 TYR A 428 3.475 -12.977 2.409 1.00 20.00 H new ATOM 0 HE2 TYR A 428 6.294 -11.981 -0.703 1.00 20.00 H new ATOM 0 HH TYR A 428 6.760 -13.361 1.001 1.00 20.00 H new ATOM 387 N ARG A 429 -0.677 -9.274 -2.192 1.00 20.00 N ATOM 388 CA ARG A 429 -1.191 -8.192 -3.051 1.00 20.00 C ATOM 389 C ARG A 429 -0.036 -7.290 -3.491 1.00 20.00 C ATOM 390 O ARG A 429 1.000 -7.246 -2.833 1.00 20.00 O ATOM 391 CB ARG A 429 -2.323 -7.402 -2.359 1.00 20.00 C ATOM 392 CG ARG A 429 -3.652 -8.173 -2.258 1.00 20.00 C ATOM 393 CD ARG A 429 -3.812 -9.030 -0.995 1.00 20.00 C ATOM 394 NE ARG A 429 -3.952 -8.236 0.245 1.00 20.00 N ATOM 395 CZ ARG A 429 -5.086 -7.846 0.809 1.00 20.00 C ATOM 396 NH1 ARG A 429 -6.238 -7.897 0.214 1.00 20.00 N ATOM 397 NH2 ARG A 429 -5.125 -7.407 2.027 1.00 20.00 N ATOM 0 H ARG A 429 -0.960 -9.209 -1.214 1.00 20.00 H new ATOM 0 HA ARG A 429 -1.636 -8.633 -3.943 1.00 20.00 H new ATOM 0 HB2 ARG A 429 -1.998 -7.125 -1.356 1.00 20.00 H new ATOM 0 HB3 ARG A 429 -2.493 -6.475 -2.907 1.00 20.00 H new ATOM 0 HG2 ARG A 429 -4.473 -7.458 -2.300 1.00 20.00 H new ATOM 0 HG3 ARG A 429 -3.747 -8.819 -3.131 1.00 20.00 H new ATOM 0 HD2 ARG A 429 -4.688 -9.669 -1.108 1.00 20.00 H new ATOM 0 HD3 ARG A 429 -2.948 -9.687 -0.900 1.00 20.00 H new ATOM 0 HE ARG A 429 -3.089 -7.961 0.713 1.00 20.00 H new ATOM 0 HH11 ARG A 429 -6.304 -8.252 -0.740 1.00 20.00 H new ATOM 0 HH12 ARG A 429 -7.078 -7.582 0.700 1.00 20.00 H new ATOM 0 HH21 ARG A 429 -4.268 -7.355 2.578 1.00 20.00 H new ATOM 0 HH22 ARG A 429 -6.013 -7.114 2.435 1.00 20.00 H new ATOM 411 N HIS A 430 -0.223 -6.549 -4.577 1.00 20.00 N ATOM 412 CA HIS A 430 0.733 -5.558 -5.082 1.00 20.00 C ATOM 413 C HIS A 430 0.026 -4.221 -5.389 1.00 20.00 C ATOM 414 O HIS A 430 -0.918 -4.194 -6.178 1.00 20.00 O ATOM 415 CB HIS A 430 1.437 -6.140 -6.324 1.00 20.00 C ATOM 416 CG HIS A 430 2.362 -7.311 -6.063 1.00 20.00 C ATOM 417 ND1 HIS A 430 2.078 -8.663 -6.149 1.00 20.00 N ATOM 418 CD2 HIS A 430 3.687 -7.216 -5.751 1.00 20.00 C ATOM 419 CE1 HIS A 430 3.198 -9.374 -5.888 1.00 20.00 C ATOM 420 NE2 HIS A 430 4.204 -8.504 -5.657 1.00 20.00 N ATOM 0 H HIS A 430 -1.065 -6.619 -5.149 1.00 20.00 H new ATOM 0 HA HIS A 430 1.485 -5.343 -4.322 1.00 20.00 H new ATOM 0 HB2 HIS A 430 0.675 -6.454 -7.038 1.00 20.00 H new ATOM 0 HB3 HIS A 430 2.011 -5.345 -6.800 1.00 20.00 H new ATOM 0 HD1 HIS A 430 1.166 -9.061 -6.374 1.00 20.00 H new ATOM 0 HD2 HIS A 430 4.239 -6.300 -5.603 1.00 20.00 H new ATOM 0 HE1 HIS A 430 3.275 -10.451 -5.868 1.00 20.00 H new ATOM 428 N ALA A 431 0.489 -3.104 -4.807 1.00 20.00 N ATOM 429 CA ALA A 431 -0.027 -1.758 -5.109 1.00 20.00 C ATOM 430 C ALA A 431 0.491 -1.272 -6.473 1.00 20.00 C ATOM 431 O ALA A 431 1.554 -0.654 -6.569 1.00 20.00 O ATOM 432 CB ALA A 431 0.335 -0.778 -3.987 1.00 20.00 C ATOM 0 H ALA A 431 1.235 -3.108 -4.111 1.00 20.00 H new ATOM 0 HA ALA A 431 -1.114 -1.807 -5.168 1.00 20.00 H new ATOM 0 HB1 ALA A 431 -0.055 0.211 -4.228 1.00 20.00 H new ATOM 0 HB2 ALA A 431 -0.102 -1.121 -3.049 1.00 20.00 H new ATOM 0 HB3 ALA A 431 1.419 -0.726 -3.885 1.00 20.00 H new ATOM 438 N ARG A 432 -0.253 -1.598 -7.531 1.00 20.00 N ATOM 439 CA ARG A 432 0.072 -1.298 -8.944 1.00 20.00 C ATOM 440 C ARG A 432 -0.924 -0.337 -9.612 1.00 20.00 C ATOM 441 O ARG A 432 -0.622 0.213 -10.672 1.00 20.00 O ATOM 442 CB ARG A 432 0.283 -2.598 -9.742 1.00 20.00 C ATOM 443 CG ARG A 432 1.372 -3.478 -9.102 1.00 20.00 C ATOM 444 CD ARG A 432 1.738 -4.716 -9.928 1.00 20.00 C ATOM 445 NE ARG A 432 2.602 -4.401 -11.085 1.00 20.00 N ATOM 446 CZ ARG A 432 3.925 -4.444 -11.118 1.00 20.00 C ATOM 447 NH1 ARG A 432 4.661 -4.552 -10.052 1.00 20.00 N ATOM 448 NH2 ARG A 432 4.562 -4.383 -12.251 1.00 20.00 N ATOM 0 H ARG A 432 -1.136 -2.099 -7.433 1.00 20.00 H new ATOM 0 HA ARG A 432 1.016 -0.753 -8.946 1.00 20.00 H new ATOM 0 HB2 ARG A 432 -0.654 -3.153 -9.791 1.00 20.00 H new ATOM 0 HB3 ARG A 432 0.564 -2.356 -10.767 1.00 20.00 H new ATOM 0 HG2 ARG A 432 2.268 -2.877 -8.951 1.00 20.00 H new ATOM 0 HG3 ARG A 432 1.033 -3.798 -8.117 1.00 20.00 H new ATOM 0 HD2 ARG A 432 2.246 -5.437 -9.287 1.00 20.00 H new ATOM 0 HD3 ARG A 432 0.824 -5.193 -10.283 1.00 20.00 H new ATOM 0 HE ARG A 432 2.131 -4.122 -11.946 1.00 20.00 H new ATOM 0 HH11 ARG A 432 4.222 -4.608 -9.133 1.00 20.00 H new ATOM 0 HH12 ARG A 432 5.677 -4.581 -10.135 1.00 20.00 H new ATOM 0 HH21 ARG A 432 4.042 -4.301 -13.125 1.00 20.00 H new ATOM 0 HH22 ARG A 432 5.581 -4.417 -12.265 1.00 20.00 H new ATOM 462 N SER A 433 -2.056 -0.074 -8.959 1.00 20.00 N ATOM 463 CA SER A 433 -2.944 1.068 -9.200 1.00 20.00 C ATOM 464 C SER A 433 -2.685 2.150 -8.144 1.00 20.00 C ATOM 465 O SER A 433 -2.246 1.853 -7.030 1.00 20.00 O ATOM 466 CB SER A 433 -4.415 0.632 -9.169 1.00 20.00 C ATOM 467 OG SER A 433 -4.677 -0.300 -10.209 1.00 20.00 O ATOM 0 H SER A 433 -2.397 -0.679 -8.212 1.00 20.00 H new ATOM 0 HA SER A 433 -2.735 1.473 -10.190 1.00 20.00 H new ATOM 0 HB2 SER A 433 -4.648 0.184 -8.203 1.00 20.00 H new ATOM 0 HB3 SER A 433 -5.061 1.502 -9.281 1.00 20.00 H new ATOM 0 HG SER A 433 -5.618 -0.571 -10.176 1.00 20.00 H new ATOM 473 N HIS A 434 -2.964 3.415 -8.471 1.00 20.00 N ATOM 474 CA HIS A 434 -2.586 4.570 -7.640 1.00 20.00 C ATOM 475 C HIS A 434 -3.515 4.840 -6.437 1.00 20.00 C ATOM 476 O HIS A 434 -3.353 5.849 -5.748 1.00 20.00 O ATOM 477 CB HIS A 434 -2.431 5.809 -8.536 1.00 20.00 C ATOM 478 CG HIS A 434 -3.745 6.445 -8.918 1.00 20.00 C ATOM 479 ND1 HIS A 434 -4.762 5.840 -9.662 1.00 20.00 N ATOM 480 CD2 HIS A 434 -4.175 7.667 -8.490 1.00 20.00 C ATOM 481 CE1 HIS A 434 -5.785 6.714 -9.660 1.00 20.00 C ATOM 482 NE2 HIS A 434 -5.456 7.822 -8.972 1.00 20.00 N ATOM 0 H HIS A 434 -3.461 3.672 -9.324 1.00 20.00 H new ATOM 0 HA HIS A 434 -1.631 4.322 -7.176 1.00 20.00 H new ATOM 0 HB2 HIS A 434 -1.816 6.546 -8.019 1.00 20.00 H new ATOM 0 HB3 HIS A 434 -1.896 5.527 -9.443 1.00 20.00 H new ATOM 0 HD2 HIS A 434 -3.620 8.374 -7.891 1.00 20.00 H new ATOM 0 HE1 HIS A 434 -6.737 6.549 -10.143 1.00 20.00 H new ATOM 0 HE2 HIS A 434 -6.053 8.637 -8.831 1.00 20.00 H new ATOM 490 N ILE A 435 -4.512 3.979 -6.199 1.00 20.00 N ATOM 491 CA ILE A 435 -5.606 4.241 -5.251 1.00 20.00 C ATOM 492 C ILE A 435 -5.409 3.443 -3.959 1.00 20.00 C ATOM 493 O ILE A 435 -5.009 2.283 -3.997 1.00 20.00 O ATOM 494 CB ILE A 435 -6.984 3.991 -5.911 1.00 20.00 C ATOM 495 CG1 ILE A 435 -7.064 4.709 -7.277 1.00 20.00 C ATOM 496 CG2 ILE A 435 -8.119 4.474 -4.989 1.00 20.00 C ATOM 497 CD1 ILE A 435 -8.447 4.718 -7.930 1.00 20.00 C ATOM 0 H ILE A 435 -4.584 3.073 -6.662 1.00 20.00 H new ATOM 0 HA ILE A 435 -5.584 5.295 -4.973 1.00 20.00 H new ATOM 0 HB ILE A 435 -7.100 2.919 -6.072 1.00 20.00 H new ATOM 0 HG12 ILE A 435 -6.735 5.740 -7.147 1.00 20.00 H new ATOM 0 HG13 ILE A 435 -6.361 4.234 -7.961 1.00 20.00 H new ATOM 0 HG21 ILE A 435 -9.080 4.291 -5.469 1.00 20.00 H new ATOM 0 HG22 ILE A 435 -8.076 3.932 -4.044 1.00 20.00 H new ATOM 0 HG23 ILE A 435 -8.005 5.542 -4.801 1.00 20.00 H new ATOM 0 HD11 ILE A 435 -8.396 5.245 -8.883 1.00 20.00 H new ATOM 0 HD12 ILE A 435 -8.776 3.693 -8.100 1.00 20.00 H new ATOM 0 HD13 ILE A 435 -9.156 5.222 -7.274 1.00 20.00 H new ATOM 509 N MET A 436 -5.700 4.059 -2.811 1.00 20.00 N ATOM 510 CA MET A 436 -5.720 3.409 -1.490 1.00 20.00 C ATOM 511 C MET A 436 -7.108 2.827 -1.200 1.00 20.00 C ATOM 512 O MET A 436 -8.135 3.451 -1.484 1.00 20.00 O ATOM 513 CB MET A 436 -5.280 4.396 -0.392 1.00 20.00 C ATOM 514 CG MET A 436 -3.827 4.155 0.028 1.00 20.00 C ATOM 515 SD MET A 436 -3.585 2.690 1.069 1.00 20.00 S ATOM 516 CE MET A 436 -1.778 2.681 1.200 1.00 20.00 C ATOM 0 H MET A 436 -5.935 5.051 -2.769 1.00 20.00 H new ATOM 0 HA MET A 436 -5.008 2.584 -1.496 1.00 20.00 H new ATOM 0 HB2 MET A 436 -5.391 5.418 -0.754 1.00 20.00 H new ATOM 0 HB3 MET A 436 -5.933 4.293 0.475 1.00 20.00 H new ATOM 0 HG2 MET A 436 -3.214 4.055 -0.868 1.00 20.00 H new ATOM 0 HG3 MET A 436 -3.466 5.032 0.565 1.00 20.00 H new ATOM 0 HE1 MET A 436 -1.462 1.836 1.812 1.00 20.00 H new ATOM 0 HE2 MET A 436 -1.342 2.592 0.205 1.00 20.00 H new ATOM 0 HE3 MET A 436 -1.442 3.610 1.661 1.00 20.00 H new ATOM 526 N CYS A 437 -7.129 1.622 -0.636 1.00 20.00 N ATOM 527 CA CYS A 437 -8.338 0.818 -0.510 1.00 20.00 C ATOM 528 C CYS A 437 -9.239 1.228 0.672 1.00 20.00 C ATOM 529 O CYS A 437 -8.765 1.737 1.694 1.00 20.00 O ATOM 530 CB CYS A 437 -7.925 -0.640 -0.477 1.00 20.00 C ATOM 531 SG CYS A 437 -9.359 -1.693 -0.872 1.00 20.00 S ATOM 0 H CYS A 437 -6.298 1.173 -0.250 1.00 20.00 H new ATOM 0 HA CYS A 437 -8.976 0.996 -1.376 1.00 20.00 H new ATOM 0 HB2 CYS A 437 -7.123 -0.817 -1.194 1.00 20.00 H new ATOM 0 HB3 CYS A 437 -7.534 -0.895 0.508 1.00 20.00 H new ATOM 0 HG CYS A 437 -9.181 -2.877 -0.365 1.00 20.00 H new ATOM 536 N ARG A 438 -10.548 0.970 0.544 1.00 20.00 N ATOM 537 CA ARG A 438 -11.572 1.368 1.532 1.00 20.00 C ATOM 538 C ARG A 438 -11.535 0.571 2.825 1.00 20.00 C ATOM 539 O ARG A 438 -11.848 1.112 3.885 1.00 20.00 O ATOM 540 CB ARG A 438 -12.974 1.372 0.896 1.00 20.00 C ATOM 541 CG ARG A 438 -13.587 -0.036 0.781 1.00 20.00 C ATOM 542 CD ARG A 438 -14.969 -0.025 0.111 1.00 20.00 C ATOM 543 NE ARG A 438 -14.919 0.446 -1.291 1.00 20.00 N ATOM 544 CZ ARG A 438 -14.598 -0.256 -2.364 1.00 20.00 C ATOM 545 NH1 ARG A 438 -14.267 -1.514 -2.304 1.00 20.00 N ATOM 546 NH2 ARG A 438 -14.601 0.305 -3.539 1.00 20.00 N ATOM 0 H ARG A 438 -10.935 0.473 -0.258 1.00 20.00 H new ATOM 0 HA ARG A 438 -11.323 2.387 1.829 1.00 20.00 H new ATOM 0 HB2 ARG A 438 -13.635 2.002 1.491 1.00 20.00 H new ATOM 0 HB3 ARG A 438 -12.915 1.819 -0.096 1.00 20.00 H new ATOM 0 HG2 ARG A 438 -12.915 -0.675 0.209 1.00 20.00 H new ATOM 0 HG3 ARG A 438 -13.673 -0.473 1.776 1.00 20.00 H new ATOM 0 HD2 ARG A 438 -15.389 -1.030 0.138 1.00 20.00 H new ATOM 0 HD3 ARG A 438 -15.640 0.616 0.682 1.00 20.00 H new ATOM 0 HE ARG A 438 -15.160 1.425 -1.447 1.00 20.00 H new ATOM 0 HH11 ARG A 438 -14.249 -1.994 -1.404 1.00 20.00 H new ATOM 0 HH12 ARG A 438 -14.026 -2.019 -3.157 1.00 20.00 H new ATOM 0 HH21 ARG A 438 -14.852 1.289 -3.634 1.00 20.00 H new ATOM 0 HH22 ARG A 438 -14.353 -0.240 -4.365 1.00 20.00 H new ATOM 560 N GLU A 439 -11.127 -0.693 2.739 1.00 20.00 N ATOM 561 CA GLU A 439 -10.950 -1.546 3.915 1.00 20.00 C ATOM 562 C GLU A 439 -9.494 -1.535 4.424 1.00 20.00 C ATOM 563 O GLU A 439 -9.193 -2.052 5.504 1.00 20.00 O ATOM 564 CB GLU A 439 -11.442 -2.977 3.631 1.00 20.00 C ATOM 565 CG GLU A 439 -12.948 -3.104 3.366 1.00 20.00 C ATOM 566 CD GLU A 439 -13.810 -2.601 4.544 1.00 20.00 C ATOM 567 OE1 GLU A 439 -13.717 -3.171 5.658 1.00 20.00 O ATOM 568 OE2 GLU A 439 -14.597 -1.642 4.359 1.00 20.00 O ATOM 0 H GLU A 439 -10.910 -1.155 1.856 1.00 20.00 H new ATOM 0 HA GLU A 439 -11.563 -1.133 4.716 1.00 20.00 H new ATOM 0 HB2 GLU A 439 -10.902 -3.366 2.768 1.00 20.00 H new ATOM 0 HB3 GLU A 439 -11.183 -3.609 4.480 1.00 20.00 H new ATOM 0 HG2 GLU A 439 -13.203 -2.540 2.469 1.00 20.00 H new ATOM 0 HG3 GLU A 439 -13.190 -4.148 3.165 1.00 20.00 H new ATOM 575 N GLY A 440 -8.576 -0.951 3.648 1.00 20.00 N ATOM 576 CA GLY A 440 -7.144 -0.901 3.930 1.00 20.00 C ATOM 577 C GLY A 440 -6.545 -2.303 4.056 1.00 20.00 C ATOM 578 O GLY A 440 -6.778 -3.176 3.221 1.00 20.00 O ATOM 0 H GLY A 440 -8.822 -0.484 2.775 1.00 20.00 H new ATOM 0 HA2 GLY A 440 -6.635 -0.357 3.134 1.00 20.00 H new ATOM 0 HA3 GLY A 440 -6.974 -0.348 4.854 1.00 20.00 H new ATOM 582 N ALA A 441 -5.799 -2.530 5.134 1.00 20.00 N ATOM 583 CA ALA A 441 -5.192 -3.825 5.451 1.00 20.00 C ATOM 584 C ALA A 441 -6.187 -4.876 6.003 1.00 20.00 C ATOM 585 O ALA A 441 -5.796 -6.019 6.248 1.00 20.00 O ATOM 586 CB ALA A 441 -4.004 -3.574 6.383 1.00 20.00 C ATOM 0 H ALA A 441 -5.594 -1.808 5.825 1.00 20.00 H new ATOM 0 HA ALA A 441 -4.845 -4.282 4.524 1.00 20.00 H new ATOM 0 HB1 ALA A 441 -3.533 -4.524 6.635 1.00 20.00 H new ATOM 0 HB2 ALA A 441 -3.279 -2.931 5.884 1.00 20.00 H new ATOM 0 HB3 ALA A 441 -4.353 -3.089 7.294 1.00 20.00 H new ATOM 592 N ASN A 442 -7.472 -4.525 6.171 1.00 20.00 N ATOM 593 CA ASN A 442 -8.546 -5.467 6.527 1.00 20.00 C ATOM 594 C ASN A 442 -9.175 -6.130 5.282 1.00 20.00 C ATOM 595 O ASN A 442 -9.884 -7.132 5.404 1.00 20.00 O ATOM 596 CB ASN A 442 -9.624 -4.748 7.362 1.00 20.00 C ATOM 597 CG ASN A 442 -9.072 -3.939 8.523 1.00 20.00 C ATOM 598 OD1 ASN A 442 -8.820 -4.447 9.608 1.00 20.00 O ATOM 599 ND2 ASN A 442 -8.859 -2.656 8.330 1.00 20.00 N ATOM 0 H ASN A 442 -7.799 -3.565 6.062 1.00 20.00 H new ATOM 0 HA ASN A 442 -8.102 -6.264 7.123 1.00 20.00 H new ATOM 0 HB2 ASN A 442 -10.192 -4.085 6.709 1.00 20.00 H new ATOM 0 HB3 ASN A 442 -10.323 -5.489 7.750 1.00 20.00 H new ATOM 0 HD21 ASN A 442 -8.483 -2.082 9.085 1.00 20.00 H new ATOM 0 HD22 ASN A 442 -9.070 -2.235 7.425 1.00 20.00 H new ATOM 606 N CYS A 443 -8.927 -5.566 4.093 1.00 20.00 N ATOM 607 CA CYS A 443 -9.478 -5.990 2.811 1.00 20.00 C ATOM 608 C CYS A 443 -9.133 -7.451 2.482 1.00 20.00 C ATOM 609 O CYS A 443 -7.955 -7.826 2.493 1.00 20.00 O ATOM 610 CB CYS A 443 -8.878 -5.069 1.756 1.00 20.00 C ATOM 611 SG CYS A 443 -9.646 -5.361 0.129 1.00 20.00 S ATOM 0 H CYS A 443 -8.305 -4.763 4.001 1.00 20.00 H new ATOM 0 HA CYS A 443 -10.566 -5.929 2.841 1.00 20.00 H new ATOM 0 HB2 CYS A 443 -9.022 -4.029 2.050 1.00 20.00 H new ATOM 0 HB3 CYS A 443 -7.803 -5.235 1.691 1.00 20.00 H new ATOM 0 HG CYS A 443 -8.840 -4.960 -0.809 1.00 20.00 H new ATOM 616 N THR A 444 -10.126 -8.268 2.124 1.00 20.00 N ATOM 617 CA THR A 444 -9.963 -9.703 1.837 1.00 20.00 C ATOM 618 C THR A 444 -9.729 -10.022 0.358 1.00 20.00 C ATOM 619 O THR A 444 -9.629 -11.195 -0.015 1.00 20.00 O ATOM 620 CB THR A 444 -11.159 -10.506 2.380 1.00 20.00 C ATOM 621 OG1 THR A 444 -12.369 -9.976 1.874 1.00 20.00 O ATOM 622 CG2 THR A 444 -11.232 -10.458 3.909 1.00 20.00 C ATOM 0 H THR A 444 -11.089 -7.947 2.022 1.00 20.00 H new ATOM 0 HA THR A 444 -9.053 -10.006 2.355 1.00 20.00 H new ATOM 0 HB THR A 444 -11.019 -11.538 2.060 1.00 20.00 H new ATOM 0 HG1 THR A 444 -13.124 -10.494 2.223 1.00 20.00 H new ATOM 0 HG21 THR A 444 -12.090 -11.037 4.251 1.00 20.00 H new ATOM 0 HG22 THR A 444 -10.319 -10.879 4.330 1.00 20.00 H new ATOM 0 HG23 THR A 444 -11.339 -9.424 4.236 1.00 20.00 H new ATOM 630 N ARG A 445 -9.625 -9.007 -0.512 1.00 20.00 N ATOM 631 CA ARG A 445 -9.512 -9.183 -1.969 1.00 20.00 C ATOM 632 C ARG A 445 -8.066 -9.428 -2.414 1.00 20.00 C ATOM 633 O ARG A 445 -7.220 -8.539 -2.301 1.00 20.00 O ATOM 634 CB ARG A 445 -10.133 -7.954 -2.663 1.00 20.00 C ATOM 635 CG ARG A 445 -10.217 -8.102 -4.193 1.00 20.00 C ATOM 636 CD ARG A 445 -11.101 -7.019 -4.823 1.00 20.00 C ATOM 637 NE ARG A 445 -10.850 -6.869 -6.273 1.00 20.00 N ATOM 638 CZ ARG A 445 -10.550 -5.756 -6.925 1.00 20.00 C ATOM 639 NH1 ARG A 445 -10.305 -4.624 -6.332 1.00 20.00 N ATOM 640 NH2 ARG A 445 -10.485 -5.768 -8.223 1.00 20.00 N ATOM 0 H ARG A 445 -9.617 -8.029 -0.221 1.00 20.00 H new ATOM 0 HA ARG A 445 -10.060 -10.078 -2.264 1.00 20.00 H new ATOM 0 HB2 ARG A 445 -11.134 -7.787 -2.265 1.00 20.00 H new ATOM 0 HB3 ARG A 445 -9.542 -7.071 -2.421 1.00 20.00 H new ATOM 0 HG2 ARG A 445 -9.215 -8.046 -4.619 1.00 20.00 H new ATOM 0 HG3 ARG A 445 -10.615 -9.086 -4.442 1.00 20.00 H new ATOM 0 HD2 ARG A 445 -12.150 -7.268 -4.661 1.00 20.00 H new ATOM 0 HD3 ARG A 445 -10.919 -6.067 -4.324 1.00 20.00 H new ATOM 0 HE ARG A 445 -10.915 -7.718 -6.834 1.00 20.00 H new ATOM 0 HH11 ARG A 445 -10.339 -4.563 -5.314 1.00 20.00 H new ATOM 0 HH12 ARG A 445 -10.079 -3.797 -6.885 1.00 20.00 H new ATOM 0 HH21 ARG A 445 -10.665 -6.632 -8.735 1.00 20.00 H new ATOM 0 HH22 ARG A 445 -10.254 -4.914 -8.730 1.00 20.00 H new ATOM 654 N ILE A 446 -7.775 -10.597 -2.984 1.00 20.00 N ATOM 655 CA ILE A 446 -6.476 -10.886 -3.624 1.00 20.00 C ATOM 656 C ILE A 446 -6.315 -10.119 -4.949 1.00 20.00 C ATOM 657 O ILE A 446 -5.215 -9.712 -5.317 1.00 20.00 O ATOM 658 CB ILE A 446 -6.317 -12.418 -3.799 1.00 20.00 C ATOM 659 CG1 ILE A 446 -6.333 -13.174 -2.450 1.00 20.00 C ATOM 660 CG2 ILE A 446 -5.041 -12.767 -4.576 1.00 20.00 C ATOM 661 CD1 ILE A 446 -5.260 -12.722 -1.455 1.00 20.00 C ATOM 0 H ILE A 446 -8.430 -11.378 -3.019 1.00 20.00 H new ATOM 0 HA ILE A 446 -5.672 -10.534 -2.978 1.00 20.00 H new ATOM 0 HB ILE A 446 -7.182 -12.745 -4.375 1.00 20.00 H new ATOM 0 HG12 ILE A 446 -7.313 -13.049 -1.990 1.00 20.00 H new ATOM 0 HG13 ILE A 446 -6.205 -14.239 -2.643 1.00 20.00 H new ATOM 0 HG21 ILE A 446 -4.963 -13.849 -4.679 1.00 20.00 H new ATOM 0 HG22 ILE A 446 -5.081 -12.310 -5.565 1.00 20.00 H new ATOM 0 HG23 ILE A 446 -4.172 -12.390 -4.037 1.00 20.00 H new ATOM 0 HD11 ILE A 446 -5.345 -13.305 -0.538 1.00 20.00 H new ATOM 0 HD12 ILE A 446 -4.273 -12.874 -1.891 1.00 20.00 H new ATOM 0 HD13 ILE A 446 -5.397 -11.665 -1.227 1.00 20.00 H new ATOM 673 N ASP A 447 -7.429 -9.861 -5.632 1.00 20.00 N ATOM 674 CA ASP A 447 -7.497 -9.166 -6.919 1.00 20.00 C ATOM 675 C ASP A 447 -7.330 -7.631 -6.807 1.00 20.00 C ATOM 676 O ASP A 447 -7.310 -6.950 -7.834 1.00 20.00 O ATOM 677 CB ASP A 447 -8.824 -9.591 -7.574 1.00 20.00 C ATOM 678 CG ASP A 447 -9.041 -9.049 -8.996 1.00 20.00 C ATOM 679 OD1 ASP A 447 -8.266 -9.407 -9.914 1.00 20.00 O ATOM 680 OD2 ASP A 447 -10.036 -8.309 -9.198 1.00 20.00 O ATOM 0 H ASP A 447 -8.348 -10.142 -5.290 1.00 20.00 H new ATOM 0 HA ASP A 447 -6.653 -9.453 -7.546 1.00 20.00 H new ATOM 0 HB2 ASP A 447 -8.866 -10.680 -7.604 1.00 20.00 H new ATOM 0 HB3 ASP A 447 -9.648 -9.258 -6.943 1.00 20.00 H new ATOM 685 N CYS A 448 -7.193 -7.052 -5.601 1.00 20.00 N ATOM 686 CA CYS A 448 -7.038 -5.627 -5.421 1.00 20.00 C ATOM 687 C CYS A 448 -5.584 -5.239 -5.703 1.00 20.00 C ATOM 688 O CYS A 448 -4.674 -5.576 -4.939 1.00 20.00 O ATOM 689 CB CYS A 448 -7.410 -5.310 -3.998 1.00 20.00 C ATOM 690 SG CYS A 448 -8.963 -4.464 -3.604 1.00 20.00 S ATOM 0 H CYS A 448 -7.189 -7.578 -4.727 1.00 20.00 H new ATOM 0 HA CYS A 448 -7.676 -5.067 -6.104 1.00 20.00 H new ATOM 0 HB2 CYS A 448 -7.413 -6.253 -3.451 1.00 20.00 H new ATOM 0 HB3 CYS A 448 -6.603 -4.705 -3.585 1.00 20.00 H new ATOM 0 HG CYS A 448 -8.750 -3.573 -2.681 1.00 20.00 H new ATOM 695 N LEU A 449 -5.387 -4.463 -6.764 1.00 20.00 N ATOM 696 CA LEU A 449 -4.085 -3.891 -7.107 1.00 20.00 C ATOM 697 C LEU A 449 -3.887 -2.508 -6.451 1.00 20.00 C ATOM 698 O LEU A 449 -3.051 -1.715 -6.880 1.00 20.00 O ATOM 699 CB LEU A 449 -3.888 -3.912 -8.633 1.00 20.00 C ATOM 700 CG LEU A 449 -4.282 -5.235 -9.332 1.00 20.00 C ATOM 701 CD1 LEU A 449 -3.789 -5.208 -10.778 1.00 20.00 C ATOM 702 CD2 LEU A 449 -3.741 -6.505 -8.659 1.00 20.00 C ATOM 0 H LEU A 449 -6.130 -4.210 -7.416 1.00 20.00 H new ATOM 0 HA LEU A 449 -3.289 -4.508 -6.690 1.00 20.00 H new ATOM 0 HB2 LEU A 449 -4.472 -3.102 -9.069 1.00 20.00 H new ATOM 0 HB3 LEU A 449 -2.841 -3.703 -8.851 1.00 20.00 H new ATOM 0 HG LEU A 449 -5.369 -5.288 -9.266 1.00 20.00 H new ATOM 0 HD11 LEU A 449 -4.065 -6.139 -11.274 1.00 20.00 H new ATOM 0 HD12 LEU A 449 -4.245 -4.368 -11.302 1.00 20.00 H new ATOM 0 HD13 LEU A 449 -2.705 -5.098 -10.791 1.00 20.00 H new ATOM 0 HD21 LEU A 449 -4.068 -7.381 -9.219 1.00 20.00 H new ATOM 0 HD22 LEU A 449 -2.652 -6.472 -8.641 1.00 20.00 H new ATOM 0 HD23 LEU A 449 -4.119 -6.565 -7.638 1.00 20.00 H new ATOM 714 N PHE A 450 -4.687 -2.203 -5.425 1.00 20.00 N ATOM 715 CA PHE A 450 -4.712 -0.931 -4.709 1.00 20.00 C ATOM 716 C PHE A 450 -3.676 -0.957 -3.576 1.00 20.00 C ATOM 717 O PHE A 450 -3.189 -2.014 -3.163 1.00 20.00 O ATOM 718 CB PHE A 450 -6.135 -0.720 -4.151 1.00 20.00 C ATOM 719 CG PHE A 450 -7.187 -0.157 -5.100 1.00 20.00 C ATOM 720 CD1 PHE A 450 -7.143 -0.362 -6.496 1.00 20.00 C ATOM 721 CD2 PHE A 450 -8.254 0.581 -4.553 1.00 20.00 C ATOM 722 CE1 PHE A 450 -8.146 0.174 -7.326 1.00 20.00 C ATOM 723 CE2 PHE A 450 -9.263 1.108 -5.379 1.00 20.00 C ATOM 724 CZ PHE A 450 -9.207 0.907 -6.768 1.00 20.00 C ATOM 0 H PHE A 450 -5.365 -2.870 -5.056 1.00 20.00 H new ATOM 0 HA PHE A 450 -4.459 -0.107 -5.377 1.00 20.00 H new ATOM 0 HB2 PHE A 450 -6.496 -1.679 -3.779 1.00 20.00 H new ATOM 0 HB3 PHE A 450 -6.064 -0.052 -3.293 1.00 20.00 H new ATOM 0 HD1 PHE A 450 -6.335 -0.933 -6.930 1.00 20.00 H new ATOM 0 HD2 PHE A 450 -8.298 0.744 -3.486 1.00 20.00 H new ATOM 0 HE1 PHE A 450 -8.100 0.021 -8.394 1.00 20.00 H new ATOM 0 HE2 PHE A 450 -10.080 1.666 -4.946 1.00 20.00 H new ATOM 0 HZ PHE A 450 -9.977 1.315 -7.406 1.00 20.00 H new ATOM 734 N GLY A 451 -3.384 0.216 -3.024 1.00 20.00 N ATOM 735 CA GLY A 451 -2.735 0.350 -1.724 1.00 20.00 C ATOM 736 C GLY A 451 -3.515 -0.384 -0.623 1.00 20.00 C ATOM 737 O GLY A 451 -4.666 -0.057 -0.331 1.00 20.00 O ATOM 0 H GLY A 451 -3.593 1.109 -3.470 1.00 20.00 H new ATOM 0 HA2 GLY A 451 -1.722 -0.048 -1.780 1.00 20.00 H new ATOM 0 HA3 GLY A 451 -2.649 1.406 -1.467 1.00 20.00 H new ATOM 741 N HIS A 452 -2.856 -1.360 -0.006 1.00 20.00 N ATOM 742 CA HIS A 452 -3.239 -2.030 1.237 1.00 20.00 C ATOM 743 C HIS A 452 -2.032 -1.916 2.204 1.00 20.00 C ATOM 744 O HIS A 452 -1.011 -2.572 1.983 1.00 20.00 O ATOM 745 CB HIS A 452 -3.612 -3.505 0.993 1.00 20.00 C ATOM 746 CG HIS A 452 -4.694 -3.817 -0.027 1.00 20.00 C ATOM 747 ND1 HIS A 452 -4.670 -4.881 -0.905 1.00 20.00 N ATOM 748 CD2 HIS A 452 -5.953 -3.288 -0.095 1.00 20.00 C ATOM 749 CE1 HIS A 452 -5.886 -5.023 -1.466 1.00 20.00 C ATOM 750 NE2 HIS A 452 -6.699 -4.048 -1.012 1.00 20.00 N ATOM 0 H HIS A 452 -1.983 -1.729 -0.384 1.00 20.00 H new ATOM 0 HA HIS A 452 -4.124 -1.558 1.663 1.00 20.00 H new ATOM 0 HB2 HIS A 452 -2.707 -4.030 0.688 1.00 20.00 H new ATOM 0 HB3 HIS A 452 -3.922 -3.931 1.947 1.00 20.00 H new ATOM 0 HD1 HIS A 452 -3.859 -5.468 -1.099 1.00 20.00 H new ATOM 0 HD2 HIS A 452 -6.312 -2.434 0.460 1.00 20.00 H new ATOM 0 HE1 HIS A 452 -6.165 -5.795 -2.168 1.00 20.00 H new ATOM 758 N PRO A 453 -2.082 -1.048 3.231 1.00 20.00 N ATOM 759 CA PRO A 453 -0.891 -0.569 3.944 1.00 20.00 C ATOM 760 C PRO A 453 -0.105 -1.645 4.722 1.00 20.00 C ATOM 761 O PRO A 453 -0.625 -2.692 5.113 1.00 20.00 O ATOM 762 CB PRO A 453 -1.391 0.572 4.837 1.00 20.00 C ATOM 763 CG PRO A 453 -2.867 0.237 5.044 1.00 20.00 C ATOM 764 CD PRO A 453 -3.255 -0.323 3.684 1.00 20.00 C ATOM 0 HA PRO A 453 -0.141 -0.236 3.226 1.00 20.00 H new ATOM 0 HB2 PRO A 453 -0.851 0.609 5.783 1.00 20.00 H new ATOM 0 HB3 PRO A 453 -1.262 1.543 4.359 1.00 20.00 H new ATOM 0 HG2 PRO A 453 -3.013 -0.491 5.842 1.00 20.00 H new ATOM 0 HG3 PRO A 453 -3.453 1.118 5.305 1.00 20.00 H new ATOM 0 HD2 PRO A 453 -4.121 -0.980 3.760 1.00 20.00 H new ATOM 0 HD3 PRO A 453 -3.520 0.474 2.989 1.00 20.00 H new ATOM 772 N ILE A 454 1.165 -1.336 4.995 1.00 20.00 N ATOM 773 CA ILE A 454 2.203 -2.212 5.559 1.00 20.00 C ATOM 774 C ILE A 454 2.517 -1.757 6.984 1.00 20.00 C ATOM 775 O ILE A 454 2.491 -0.558 7.251 1.00 20.00 O ATOM 776 CB ILE A 454 3.474 -2.159 4.675 1.00 20.00 C ATOM 777 CG1 ILE A 454 3.204 -2.398 3.175 1.00 20.00 C ATOM 778 CG2 ILE A 454 4.534 -3.154 5.176 1.00 20.00 C ATOM 779 CD1 ILE A 454 2.463 -3.686 2.835 1.00 20.00 C ATOM 0 H ILE A 454 1.524 -0.398 4.815 1.00 20.00 H new ATOM 0 HA ILE A 454 1.847 -3.242 5.583 1.00 20.00 H new ATOM 0 HB ILE A 454 3.847 -1.139 4.768 1.00 20.00 H new ATOM 0 HG12 ILE A 454 2.628 -1.556 2.789 1.00 20.00 H new ATOM 0 HG13 ILE A 454 4.158 -2.399 2.648 1.00 20.00 H new ATOM 0 HG21 ILE A 454 5.416 -3.097 4.539 1.00 20.00 H new ATOM 0 HG22 ILE A 454 4.810 -2.906 6.201 1.00 20.00 H new ATOM 0 HG23 ILE A 454 4.128 -4.165 5.144 1.00 20.00 H new ATOM 0 HD11 ILE A 454 2.326 -3.753 1.756 1.00 20.00 H new ATOM 0 HD12 ILE A 454 3.043 -4.542 3.181 1.00 20.00 H new ATOM 0 HD13 ILE A 454 1.489 -3.686 3.325 1.00 20.00 H new ATOM 791 N ASN A 455 2.793 -2.678 7.911 1.00 20.00 N ATOM 792 CA ASN A 455 3.135 -2.356 9.304 1.00 20.00 C ATOM 793 C ASN A 455 4.572 -1.790 9.411 1.00 20.00 C ATOM 794 O ASN A 455 5.514 -2.489 9.792 1.00 20.00 O ATOM 795 CB ASN A 455 2.890 -3.608 10.169 1.00 20.00 C ATOM 796 CG ASN A 455 3.062 -3.353 11.661 1.00 20.00 C ATOM 797 OD1 ASN A 455 3.143 -2.228 12.138 1.00 20.00 O ATOM 798 ND2 ASN A 455 3.095 -4.397 12.458 1.00 20.00 N ATOM 0 H ASN A 455 2.786 -3.679 7.716 1.00 20.00 H new ATOM 0 HA ASN A 455 2.494 -1.560 9.683 1.00 20.00 H new ATOM 0 HB2 ASN A 455 1.881 -3.977 9.984 1.00 20.00 H new ATOM 0 HB3 ASN A 455 3.578 -4.395 9.860 1.00 20.00 H new ATOM 0 HD21 ASN A 455 3.187 -4.267 13.465 1.00 20.00 H new ATOM 0 HD22 ASN A 455 3.028 -5.338 12.069 1.00 20.00 H new ATOM 805 N GLU A 456 4.744 -0.527 9.015 1.00 20.00 N ATOM 806 CA GLU A 456 6.024 0.188 8.929 1.00 20.00 C ATOM 807 C GLU A 456 5.797 1.702 9.044 1.00 20.00 C ATOM 808 O GLU A 456 4.691 2.179 8.807 1.00 20.00 O ATOM 809 CB GLU A 456 6.716 -0.130 7.587 1.00 20.00 C ATOM 810 CG GLU A 456 8.098 -0.769 7.774 1.00 20.00 C ATOM 811 CD GLU A 456 9.177 0.235 8.227 1.00 20.00 C ATOM 812 OE1 GLU A 456 9.105 0.726 9.379 1.00 20.00 O ATOM 813 OE2 GLU A 456 10.122 0.513 7.449 1.00 20.00 O ATOM 0 H GLU A 456 3.957 0.056 8.731 1.00 20.00 H new ATOM 0 HA GLU A 456 6.661 -0.139 9.751 1.00 20.00 H new ATOM 0 HB2 GLU A 456 6.084 -0.802 7.007 1.00 20.00 H new ATOM 0 HB3 GLU A 456 6.819 0.788 7.009 1.00 20.00 H new ATOM 0 HG2 GLU A 456 8.024 -1.569 8.510 1.00 20.00 H new ATOM 0 HG3 GLU A 456 8.409 -1.227 6.835 1.00 20.00 H new ATOM 820 N ASP A 457 6.836 2.464 9.371 1.00 20.00 N ATOM 821 CA ASP A 457 6.756 3.919 9.592 1.00 20.00 C ATOM 822 C ASP A 457 7.387 4.726 8.440 1.00 20.00 C ATOM 823 O ASP A 457 8.592 4.624 8.190 1.00 20.00 O ATOM 824 CB ASP A 457 7.400 4.246 10.947 1.00 20.00 C ATOM 825 CG ASP A 457 7.299 5.740 11.294 1.00 20.00 C ATOM 826 OD1 ASP A 457 6.163 6.263 11.380 1.00 20.00 O ATOM 827 OD2 ASP A 457 8.351 6.385 11.522 1.00 20.00 O ATOM 0 H ASP A 457 7.777 2.089 9.494 1.00 20.00 H new ATOM 0 HA ASP A 457 5.708 4.217 9.610 1.00 20.00 H new ATOM 0 HB2 ASP A 457 6.916 3.660 11.728 1.00 20.00 H new ATOM 0 HB3 ASP A 457 8.449 3.949 10.930 1.00 20.00 H new ATOM 832 N CYS A 458 6.584 5.549 7.749 1.00 20.00 N ATOM 833 CA CYS A 458 7.072 6.413 6.670 1.00 20.00 C ATOM 834 C CYS A 458 7.966 7.559 7.185 1.00 20.00 C ATOM 835 O CYS A 458 7.615 8.267 8.137 1.00 20.00 O ATOM 836 CB CYS A 458 5.887 6.953 5.872 1.00 20.00 C ATOM 837 SG CYS A 458 6.470 7.574 4.247 1.00 20.00 S ATOM 0 H CYS A 458 5.582 5.632 7.923 1.00 20.00 H new ATOM 0 HA CYS A 458 7.702 5.809 6.018 1.00 20.00 H new ATOM 0 HB2 CYS A 458 5.145 6.168 5.727 1.00 20.00 H new ATOM 0 HB3 CYS A 458 5.399 7.755 6.425 1.00 20.00 H new ATOM 0 HG CYS A 458 5.447 7.908 3.517 1.00 20.00 H new ATOM 842 N ARG A 459 9.111 7.766 6.519 1.00 20.00 N ATOM 843 CA ARG A 459 10.153 8.734 6.912 1.00 20.00 C ATOM 844 C ARG A 459 9.640 10.178 6.965 1.00 20.00 C ATOM 845 O ARG A 459 10.036 10.937 7.852 1.00 20.00 O ATOM 846 CB ARG A 459 11.358 8.635 5.957 1.00 20.00 C ATOM 847 CG ARG A 459 12.047 7.264 6.012 1.00 20.00 C ATOM 848 CD ARG A 459 13.309 7.250 5.141 1.00 20.00 C ATOM 849 NE ARG A 459 13.985 5.938 5.197 1.00 20.00 N ATOM 850 CZ ARG A 459 15.104 5.600 4.581 1.00 20.00 C ATOM 851 NH1 ARG A 459 15.755 6.434 3.818 1.00 20.00 N ATOM 852 NH2 ARG A 459 15.597 4.404 4.722 1.00 20.00 N ATOM 0 H ARG A 459 9.347 7.253 5.670 1.00 20.00 H new ATOM 0 HA ARG A 459 10.460 8.471 7.924 1.00 20.00 H new ATOM 0 HB2 ARG A 459 11.025 8.829 4.937 1.00 20.00 H new ATOM 0 HB3 ARG A 459 12.081 9.411 6.209 1.00 20.00 H new ATOM 0 HG2 ARG A 459 12.309 7.025 7.043 1.00 20.00 H new ATOM 0 HG3 ARG A 459 11.357 6.492 5.672 1.00 20.00 H new ATOM 0 HD2 ARG A 459 13.044 7.481 4.109 1.00 20.00 H new ATOM 0 HD3 ARG A 459 13.994 8.029 5.476 1.00 20.00 H new ATOM 0 HE ARG A 459 13.543 5.219 5.770 1.00 20.00 H new ATOM 0 HH11 ARG A 459 15.403 7.382 3.682 1.00 20.00 H new ATOM 0 HH12 ARG A 459 16.616 6.139 3.358 1.00 20.00 H new ATOM 0 HH21 ARG A 459 15.119 3.722 5.311 1.00 20.00 H new ATOM 0 HH22 ARG A 459 16.461 4.149 4.244 1.00 20.00 H new ATOM 866 N PHE A 460 8.759 10.555 6.036 1.00 20.00 N ATOM 867 CA PHE A 460 8.249 11.922 5.867 1.00 20.00 C ATOM 868 C PHE A 460 6.932 12.207 6.614 1.00 20.00 C ATOM 869 O PHE A 460 6.560 13.376 6.760 1.00 20.00 O ATOM 870 CB PHE A 460 8.121 12.188 4.359 1.00 20.00 C ATOM 871 CG PHE A 460 9.413 12.625 3.692 1.00 20.00 C ATOM 872 CD1 PHE A 460 10.425 11.687 3.405 1.00 20.00 C ATOM 873 CD2 PHE A 460 9.601 13.979 3.357 1.00 20.00 C ATOM 874 CE1 PHE A 460 11.622 12.107 2.798 1.00 20.00 C ATOM 875 CE2 PHE A 460 10.798 14.398 2.748 1.00 20.00 C ATOM 876 CZ PHE A 460 11.810 13.462 2.471 1.00 20.00 C ATOM 0 H PHE A 460 8.368 9.900 5.359 1.00 20.00 H new ATOM 0 HA PHE A 460 8.959 12.610 6.325 1.00 20.00 H new ATOM 0 HB2 PHE A 460 7.762 11.282 3.871 1.00 20.00 H new ATOM 0 HB3 PHE A 460 7.365 12.957 4.200 1.00 20.00 H new ATOM 0 HD1 PHE A 460 10.281 10.645 3.651 1.00 20.00 H new ATOM 0 HD2 PHE A 460 8.824 14.699 3.568 1.00 20.00 H new ATOM 0 HE1 PHE A 460 12.398 11.388 2.583 1.00 20.00 H new ATOM 0 HE2 PHE A 460 10.939 15.438 2.493 1.00 20.00 H new ATOM 0 HZ PHE A 460 12.731 13.783 2.007 1.00 20.00 H new ATOM 886 N GLY A 461 6.218 11.183 7.094 1.00 20.00 N ATOM 887 CA GLY A 461 5.004 11.315 7.900 1.00 20.00 C ATOM 888 C GLY A 461 3.907 12.119 7.198 1.00 20.00 C ATOM 889 O GLY A 461 3.366 11.700 6.178 1.00 20.00 O ATOM 0 H GLY A 461 6.479 10.211 6.926 1.00 20.00 H new ATOM 0 HA2 GLY A 461 4.623 10.322 8.139 1.00 20.00 H new ATOM 0 HA3 GLY A 461 5.252 11.797 8.845 1.00 20.00 H new ATOM 893 N VAL A 462 3.599 13.295 7.745 1.00 20.00 N ATOM 894 CA VAL A 462 2.560 14.215 7.228 1.00 20.00 C ATOM 895 C VAL A 462 2.991 15.038 6.004 1.00 20.00 C ATOM 896 O VAL A 462 2.151 15.672 5.364 1.00 20.00 O ATOM 897 CB VAL A 462 2.026 15.155 8.328 1.00 20.00 C ATOM 898 CG1 VAL A 462 1.381 14.352 9.459 1.00 20.00 C ATOM 899 CG2 VAL A 462 3.108 16.067 8.923 1.00 20.00 C ATOM 0 H VAL A 462 4.069 13.651 8.577 1.00 20.00 H new ATOM 0 HA VAL A 462 1.759 13.555 6.893 1.00 20.00 H new ATOM 0 HB VAL A 462 1.286 15.790 7.841 1.00 20.00 H new ATOM 0 HG11 VAL A 462 1.011 15.034 10.224 1.00 20.00 H new ATOM 0 HG12 VAL A 462 0.551 13.767 9.062 1.00 20.00 H new ATOM 0 HG13 VAL A 462 2.121 13.682 9.897 1.00 20.00 H new ATOM 0 HG21 VAL A 462 2.666 16.703 9.691 1.00 20.00 H new ATOM 0 HG22 VAL A 462 3.895 15.457 9.366 1.00 20.00 H new ATOM 0 HG23 VAL A 462 3.532 16.690 8.136 1.00 20.00 H new ATOM 909 N ASN A 463 4.283 15.019 5.666 1.00 20.00 N ATOM 910 CA ASN A 463 4.867 15.767 4.543 1.00 20.00 C ATOM 911 C ASN A 463 4.843 14.964 3.225 1.00 20.00 C ATOM 912 O ASN A 463 4.936 15.544 2.141 1.00 20.00 O ATOM 913 CB ASN A 463 6.306 16.181 4.908 1.00 20.00 C ATOM 914 CG ASN A 463 6.406 16.941 6.221 1.00 20.00 C ATOM 915 OD1 ASN A 463 6.225 18.149 6.284 1.00 20.00 O ATOM 916 ND2 ASN A 463 6.689 16.258 7.309 1.00 20.00 N ATOM 0 H ASN A 463 4.973 14.469 6.178 1.00 20.00 H new ATOM 0 HA ASN A 463 4.259 16.655 4.372 1.00 20.00 H new ATOM 0 HB2 ASN A 463 6.928 15.288 4.966 1.00 20.00 H new ATOM 0 HB3 ASN A 463 6.711 16.800 4.108 1.00 20.00 H new ATOM 0 HD21 ASN A 463 6.758 16.736 8.208 1.00 20.00 H new ATOM 0 HD22 ASN A 463 6.840 15.251 7.254 1.00 20.00 H new ATOM 923 N CYS A 464 4.723 13.636 3.322 1.00 20.00 N ATOM 924 CA CYS A 464 4.662 12.677 2.223 1.00 20.00 C ATOM 925 C CYS A 464 3.387 12.857 1.372 1.00 20.00 C ATOM 926 O CYS A 464 2.271 12.760 1.892 1.00 20.00 O ATOM 927 CB CYS A 464 4.726 11.302 2.897 1.00 20.00 C ATOM 928 SG CYS A 464 4.748 9.934 1.693 1.00 20.00 S ATOM 0 H CYS A 464 4.662 13.176 4.231 1.00 20.00 H new ATOM 0 HA CYS A 464 5.481 12.813 1.516 1.00 20.00 H new ATOM 0 HB2 CYS A 464 5.619 11.248 3.520 1.00 20.00 H new ATOM 0 HB3 CYS A 464 3.868 11.185 3.559 1.00 20.00 H new ATOM 0 HG CYS A 464 4.164 8.893 2.208 1.00 20.00 H new ATOM 933 N LYS A 465 3.543 13.091 0.061 1.00 20.00 N ATOM 934 CA LYS A 465 2.444 13.428 -0.871 1.00 20.00 C ATOM 935 C LYS A 465 1.939 12.255 -1.730 1.00 20.00 C ATOM 936 O LYS A 465 0.994 12.428 -2.498 1.00 20.00 O ATOM 937 CB LYS A 465 2.842 14.633 -1.745 1.00 20.00 C ATOM 938 CG LYS A 465 3.144 15.893 -0.919 1.00 20.00 C ATOM 939 CD LYS A 465 3.391 17.111 -1.819 1.00 20.00 C ATOM 940 CE LYS A 465 3.709 18.338 -0.956 1.00 20.00 C ATOM 941 NZ LYS A 465 3.974 19.541 -1.790 1.00 20.00 N ATOM 0 H LYS A 465 4.454 13.052 -0.396 1.00 20.00 H new ATOM 0 HA LYS A 465 1.592 13.691 -0.244 1.00 20.00 H new ATOM 0 HB2 LYS A 465 3.720 14.373 -2.337 1.00 20.00 H new ATOM 0 HB3 LYS A 465 2.037 14.849 -2.447 1.00 20.00 H new ATOM 0 HG2 LYS A 465 2.309 16.098 -0.249 1.00 20.00 H new ATOM 0 HG3 LYS A 465 4.020 15.718 -0.294 1.00 20.00 H new ATOM 0 HD2 LYS A 465 4.218 16.910 -2.500 1.00 20.00 H new ATOM 0 HD3 LYS A 465 2.512 17.305 -2.433 1.00 20.00 H new ATOM 0 HE2 LYS A 465 2.874 18.537 -0.284 1.00 20.00 H new ATOM 0 HE3 LYS A 465 4.578 18.129 -0.332 1.00 20.00 H new ATOM 0 HZ1 LYS A 465 4.185 20.351 -1.173 1.00 20.00 H new ATOM 0 HZ2 LYS A 465 4.786 19.359 -2.413 1.00 20.00 H new ATOM 0 HZ3 LYS A 465 3.136 19.755 -2.367 1.00 20.00 H new ATOM 955 N ASN A 466 2.545 11.069 -1.628 1.00 20.00 N ATOM 956 CA ASN A 466 2.189 9.903 -2.448 1.00 20.00 C ATOM 957 C ASN A 466 0.893 9.227 -1.947 1.00 20.00 C ATOM 958 O ASN A 466 0.817 8.772 -0.802 1.00 20.00 O ATOM 959 CB ASN A 466 3.408 8.959 -2.498 1.00 20.00 C ATOM 960 CG ASN A 466 3.168 7.652 -3.248 1.00 20.00 C ATOM 961 OD1 ASN A 466 2.122 7.401 -3.826 1.00 20.00 O ATOM 962 ND2 ASN A 466 4.139 6.770 -3.263 1.00 20.00 N ATOM 0 H ASN A 466 3.303 10.887 -0.970 1.00 20.00 H new ATOM 0 HA ASN A 466 1.956 10.210 -3.468 1.00 20.00 H new ATOM 0 HB2 ASN A 466 4.239 9.485 -2.968 1.00 20.00 H new ATOM 0 HB3 ASN A 466 3.713 8.727 -1.478 1.00 20.00 H new ATOM 0 HD21 ASN A 466 4.016 5.885 -3.754 1.00 20.00 H new ATOM 0 HD22 ASN A 466 5.017 6.970 -2.783 1.00 20.00 H new ATOM 969 N ILE A 467 -0.126 9.156 -2.812 1.00 20.00 N ATOM 970 CA ILE A 467 -1.480 8.674 -2.480 1.00 20.00 C ATOM 971 C ILE A 467 -1.507 7.218 -1.983 1.00 20.00 C ATOM 972 O ILE A 467 -2.288 6.873 -1.099 1.00 20.00 O ATOM 973 CB ILE A 467 -2.436 8.806 -3.699 1.00 20.00 C ATOM 974 CG1 ILE A 467 -2.181 9.988 -4.664 1.00 20.00 C ATOM 975 CG2 ILE A 467 -3.895 8.821 -3.218 1.00 20.00 C ATOM 976 CD1 ILE A 467 -2.221 11.386 -4.038 1.00 20.00 C ATOM 0 H ILE A 467 -0.033 9.438 -3.788 1.00 20.00 H new ATOM 0 HA ILE A 467 -1.820 9.311 -1.663 1.00 20.00 H new ATOM 0 HB ILE A 467 -2.219 7.926 -4.304 1.00 20.00 H new ATOM 0 HG12 ILE A 467 -1.205 9.848 -5.129 1.00 20.00 H new ATOM 0 HG13 ILE A 467 -2.923 9.947 -5.461 1.00 20.00 H new ATOM 0 HG21 ILE A 467 -4.560 8.914 -4.076 1.00 20.00 H new ATOM 0 HG22 ILE A 467 -4.113 7.894 -2.688 1.00 20.00 H new ATOM 0 HG23 ILE A 467 -4.048 9.666 -2.547 1.00 20.00 H new ATOM 0 HD11 ILE A 467 -2.029 12.135 -4.807 1.00 20.00 H new ATOM 0 HD12 ILE A 467 -3.203 11.560 -3.599 1.00 20.00 H new ATOM 0 HD13 ILE A 467 -1.459 11.459 -3.262 1.00 20.00 H new ATOM 988 N TYR A 468 -0.639 6.372 -2.538 1.00 20.00 N ATOM 989 CA TYR A 468 -0.642 4.905 -2.409 1.00 20.00 C ATOM 990 C TYR A 468 0.663 4.371 -1.799 1.00 20.00 C ATOM 991 O TYR A 468 1.115 3.260 -2.090 1.00 20.00 O ATOM 992 CB TYR A 468 -0.997 4.255 -3.758 1.00 20.00 C ATOM 993 CG TYR A 468 -0.064 4.585 -4.916 1.00 20.00 C ATOM 994 CD1 TYR A 468 -0.162 5.829 -5.572 1.00 20.00 C ATOM 995 CD2 TYR A 468 0.885 3.643 -5.361 1.00 20.00 C ATOM 996 CE1 TYR A 468 0.679 6.144 -6.653 1.00 20.00 C ATOM 997 CE2 TYR A 468 1.731 3.948 -6.446 1.00 20.00 C ATOM 998 CZ TYR A 468 1.634 5.200 -7.094 1.00 20.00 C ATOM 999 OH TYR A 468 2.453 5.484 -8.143 1.00 20.00 O ATOM 0 H TYR A 468 0.128 6.704 -3.122 1.00 20.00 H new ATOM 0 HA TYR A 468 -1.419 4.622 -1.699 1.00 20.00 H new ATOM 0 HB2 TYR A 468 -1.014 3.173 -3.626 1.00 20.00 H new ATOM 0 HB3 TYR A 468 -2.007 4.558 -4.032 1.00 20.00 H new ATOM 0 HD1 TYR A 468 -0.894 6.550 -5.239 1.00 20.00 H new ATOM 0 HD2 TYR A 468 0.964 2.685 -4.869 1.00 20.00 H new ATOM 0 HE1 TYR A 468 0.596 7.102 -7.144 1.00 20.00 H new ATOM 0 HE2 TYR A 468 2.456 3.222 -6.783 1.00 20.00 H new ATOM 0 HH TYR A 468 3.047 4.723 -8.309 1.00 20.00 H new ATOM 1009 N CYS A 469 1.267 5.187 -0.939 1.00 20.00 N ATOM 1010 CA CYS A 469 2.507 4.903 -0.251 1.00 20.00 C ATOM 1011 C CYS A 469 2.281 3.814 0.813 1.00 20.00 C ATOM 1012 O CYS A 469 1.284 3.827 1.542 1.00 20.00 O ATOM 1013 CB CYS A 469 2.950 6.252 0.294 1.00 20.00 C ATOM 1014 SG CYS A 469 4.518 6.125 1.214 1.00 20.00 S ATOM 0 H CYS A 469 0.883 6.101 -0.698 1.00 20.00 H new ATOM 0 HA CYS A 469 3.292 4.489 -0.883 1.00 20.00 H new ATOM 0 HB2 CYS A 469 3.067 6.956 -0.529 1.00 20.00 H new ATOM 0 HB3 CYS A 469 2.176 6.652 0.948 1.00 20.00 H new ATOM 0 HG CYS A 469 4.369 6.638 2.399 1.00 20.00 H new ATOM 1019 N LEU A 470 3.181 2.832 0.848 1.00 20.00 N ATOM 1020 CA LEU A 470 2.948 1.539 1.486 1.00 20.00 C ATOM 1021 C LEU A 470 3.066 1.567 3.014 1.00 20.00 C ATOM 1022 O LEU A 470 2.396 0.800 3.700 1.00 20.00 O ATOM 1023 CB LEU A 470 3.895 0.520 0.822 1.00 20.00 C ATOM 1024 CG LEU A 470 3.552 0.214 -0.652 1.00 20.00 C ATOM 1025 CD1 LEU A 470 4.586 -0.736 -1.253 1.00 20.00 C ATOM 1026 CD2 LEU A 470 2.176 -0.438 -0.799 1.00 20.00 C ATOM 0 H LEU A 470 4.106 2.915 0.427 1.00 20.00 H new ATOM 0 HA LEU A 470 1.911 1.243 1.328 1.00 20.00 H new ATOM 0 HB2 LEU A 470 4.916 0.899 0.876 1.00 20.00 H new ATOM 0 HB3 LEU A 470 3.869 -0.409 1.391 1.00 20.00 H new ATOM 0 HG LEU A 470 3.552 1.170 -1.175 1.00 20.00 H new ATOM 0 HD11 LEU A 470 4.330 -0.942 -2.292 1.00 20.00 H new ATOM 0 HD12 LEU A 470 5.573 -0.276 -1.207 1.00 20.00 H new ATOM 0 HD13 LEU A 470 4.594 -1.669 -0.690 1.00 20.00 H new ATOM 0 HD21 LEU A 470 1.977 -0.635 -1.852 1.00 20.00 H new ATOM 0 HD22 LEU A 470 2.157 -1.376 -0.244 1.00 20.00 H new ATOM 0 HD23 LEU A 470 1.412 0.232 -0.405 1.00 20.00 H new ATOM 1038 N PHE A 471 3.864 2.474 3.560 1.00 20.00 N ATOM 1039 CA PHE A 471 4.098 2.594 5.004 1.00 20.00 C ATOM 1040 C PHE A 471 3.007 3.435 5.692 1.00 20.00 C ATOM 1041 O PHE A 471 2.305 4.217 5.045 1.00 20.00 O ATOM 1042 CB PHE A 471 5.516 3.136 5.239 1.00 20.00 C ATOM 1043 CG PHE A 471 6.640 2.425 4.492 1.00 20.00 C ATOM 1044 CD1 PHE A 471 6.623 1.028 4.287 1.00 20.00 C ATOM 1045 CD2 PHE A 471 7.718 3.180 3.987 1.00 20.00 C ATOM 1046 CE1 PHE A 471 7.665 0.399 3.584 1.00 20.00 C ATOM 1047 CE2 PHE A 471 8.761 2.550 3.284 1.00 20.00 C ATOM 1048 CZ PHE A 471 8.734 1.159 3.081 1.00 20.00 C ATOM 0 H PHE A 471 4.378 3.161 3.009 1.00 20.00 H new ATOM 0 HA PHE A 471 4.032 1.609 5.467 1.00 20.00 H new ATOM 0 HB2 PHE A 471 5.531 4.189 4.959 1.00 20.00 H new ATOM 0 HB3 PHE A 471 5.729 3.087 6.307 1.00 20.00 H new ATOM 0 HD1 PHE A 471 5.804 0.439 4.673 1.00 20.00 H new ATOM 0 HD2 PHE A 471 7.743 4.249 4.141 1.00 20.00 H new ATOM 0 HE1 PHE A 471 7.644 -0.670 3.430 1.00 20.00 H new ATOM 0 HE2 PHE A 471 9.583 3.135 2.900 1.00 20.00 H new ATOM 0 HZ PHE A 471 9.534 0.676 2.539 1.00 20.00 H new ATOM 1058 N ARG A 472 2.846 3.279 7.012 1.00 20.00 N ATOM 1059 CA ARG A 472 1.896 4.051 7.832 1.00 20.00 C ATOM 1060 C ARG A 472 2.325 5.519 7.948 1.00 20.00 C ATOM 1061 O ARG A 472 3.514 5.839 7.876 1.00 20.00 O ATOM 1062 CB ARG A 472 1.707 3.401 9.223 1.00 20.00 C ATOM 1063 CG ARG A 472 1.331 1.907 9.222 1.00 20.00 C ATOM 1064 CD ARG A 472 0.088 1.565 8.391 1.00 20.00 C ATOM 1065 NE ARG A 472 -0.066 0.102 8.237 1.00 20.00 N ATOM 1066 CZ ARG A 472 -1.007 -0.681 8.738 1.00 20.00 C ATOM 1067 NH1 ARG A 472 -1.900 -0.243 9.579 1.00 20.00 N ATOM 1068 NH2 ARG A 472 -1.073 -1.935 8.396 1.00 20.00 N ATOM 0 H ARG A 472 3.382 2.600 7.553 1.00 20.00 H new ATOM 0 HA ARG A 472 0.930 4.035 7.328 1.00 20.00 H new ATOM 0 HB2 ARG A 472 2.631 3.523 9.788 1.00 20.00 H new ATOM 0 HB3 ARG A 472 0.932 3.951 9.757 1.00 20.00 H new ATOM 0 HG2 ARG A 472 2.176 1.333 8.842 1.00 20.00 H new ATOM 0 HG3 ARG A 472 1.165 1.586 10.250 1.00 20.00 H new ATOM 0 HD2 ARG A 472 -0.799 1.978 8.871 1.00 20.00 H new ATOM 0 HD3 ARG A 472 0.165 2.031 7.409 1.00 20.00 H new ATOM 0 HE ARG A 472 0.645 -0.363 7.672 1.00 20.00 H new ATOM 0 HH11 ARG A 472 -1.889 0.734 9.872 1.00 20.00 H new ATOM 0 HH12 ARG A 472 -2.611 -0.877 9.944 1.00 20.00 H new ATOM 0 HH21 ARG A 472 -0.396 -2.320 7.737 1.00 20.00 H new ATOM 0 HH22 ARG A 472 -1.802 -2.532 8.787 1.00 20.00 H new ATOM 1082 N HIS A 473 1.349 6.404 8.155 1.00 20.00 N ATOM 1083 CA HIS A 473 1.529 7.854 8.290 1.00 20.00 C ATOM 1084 C HIS A 473 0.678 8.395 9.460 1.00 20.00 C ATOM 1085 O HIS A 473 -0.371 7.810 9.764 1.00 20.00 O ATOM 1086 CB HIS A 473 1.113 8.578 6.995 1.00 20.00 C ATOM 1087 CG HIS A 473 1.708 8.069 5.701 1.00 20.00 C ATOM 1088 ND1 HIS A 473 1.137 7.169 4.824 1.00 20.00 N ATOM 1089 CD2 HIS A 473 2.889 8.471 5.143 1.00 20.00 C ATOM 1090 CE1 HIS A 473 1.970 6.999 3.779 1.00 20.00 C ATOM 1091 NE2 HIS A 473 3.045 7.788 3.933 1.00 20.00 N ATOM 0 H HIS A 473 0.372 6.121 8.237 1.00 20.00 H new ATOM 0 HA HIS A 473 2.585 8.042 8.486 1.00 20.00 H new ATOM 0 HB2 HIS A 473 0.027 8.526 6.912 1.00 20.00 H new ATOM 0 HB3 HIS A 473 1.375 9.631 7.097 1.00 20.00 H new ATOM 0 HD1 HIS A 473 0.235 6.709 4.947 1.00 20.00 H new ATOM 0 HD2 HIS A 473 3.579 9.188 5.562 1.00 20.00 H new ATOM 0 HE1 HIS A 473 1.799 6.332 2.947 1.00 20.00 H new ATOM 1099 N PRO A 474 1.056 9.525 10.088 1.00 20.00 N ATOM 1100 CA PRO A 474 0.195 10.238 11.032 1.00 20.00 C ATOM 1101 C PRO A 474 -1.031 10.874 10.335 1.00 20.00 C ATOM 1102 O PRO A 474 -1.009 11.079 9.115 1.00 20.00 O ATOM 1103 CB PRO A 474 1.088 11.306 11.683 1.00 20.00 C ATOM 1104 CG PRO A 474 2.517 10.930 11.300 1.00 20.00 C ATOM 1105 CD PRO A 474 2.329 10.215 9.970 1.00 20.00 C ATOM 0 HA PRO A 474 -0.221 9.556 11.773 1.00 20.00 H new ATOM 0 HB2 PRO A 474 0.834 12.303 11.322 1.00 20.00 H new ATOM 0 HB3 PRO A 474 0.962 11.317 12.766 1.00 20.00 H new ATOM 0 HG2 PRO A 474 3.154 11.809 11.201 1.00 20.00 H new ATOM 0 HG3 PRO A 474 2.979 10.283 12.046 1.00 20.00 H new ATOM 0 HD2 PRO A 474 2.319 10.922 9.140 1.00 20.00 H new ATOM 0 HD3 PRO A 474 3.142 9.514 9.781 1.00 20.00 H new ATOM 1113 N PRO A 475 -2.094 11.234 11.083 1.00 20.00 N ATOM 1114 CA PRO A 475 -3.236 11.985 10.552 1.00 20.00 C ATOM 1115 C PRO A 475 -2.839 13.407 10.109 1.00 20.00 C ATOM 1116 O PRO A 475 -1.825 13.956 10.549 1.00 20.00 O ATOM 1117 CB PRO A 475 -4.270 11.997 11.685 1.00 20.00 C ATOM 1118 CG PRO A 475 -3.408 11.928 12.945 1.00 20.00 C ATOM 1119 CD PRO A 475 -2.249 11.028 12.517 1.00 20.00 C ATOM 0 HA PRO A 475 -3.637 11.522 9.651 1.00 20.00 H new ATOM 0 HB2 PRO A 475 -4.880 12.900 11.664 1.00 20.00 H new ATOM 0 HB3 PRO A 475 -4.952 11.149 11.617 1.00 20.00 H new ATOM 0 HG2 PRO A 475 -3.061 12.915 13.252 1.00 20.00 H new ATOM 0 HG3 PRO A 475 -3.957 11.507 13.787 1.00 20.00 H new ATOM 0 HD2 PRO A 475 -1.335 11.288 13.050 1.00 20.00 H new ATOM 0 HD3 PRO A 475 -2.462 9.983 12.741 1.00 20.00 H new ATOM 1127 N GLY A 476 -3.650 14.024 9.242 1.00 20.00 N ATOM 1128 CA GLY A 476 -3.392 15.372 8.707 1.00 20.00 C ATOM 1129 C GLY A 476 -2.287 15.441 7.640 1.00 20.00 C ATOM 1130 O GLY A 476 -1.671 16.494 7.461 1.00 20.00 O ATOM 0 H GLY A 476 -4.509 13.603 8.888 1.00 20.00 H new ATOM 0 HA2 GLY A 476 -4.316 15.761 8.279 1.00 20.00 H new ATOM 0 HA3 GLY A 476 -3.122 16.030 9.533 1.00 20.00 H new ATOM 1134 N ARG A 477 -2.015 14.332 6.934 1.00 20.00 N ATOM 1135 CA ARG A 477 -1.041 14.243 5.837 1.00 20.00 C ATOM 1136 C ARG A 477 -1.542 15.009 4.619 1.00 20.00 C ATOM 1137 O ARG A 477 -2.698 14.856 4.215 1.00 20.00 O ATOM 1138 CB ARG A 477 -0.760 12.764 5.518 1.00 20.00 C ATOM 1139 CG ARG A 477 0.292 12.595 4.410 1.00 20.00 C ATOM 1140 CD ARG A 477 0.791 11.152 4.320 1.00 20.00 C ATOM 1141 NE ARG A 477 -0.112 10.263 3.560 1.00 20.00 N ATOM 1142 CZ ARG A 477 0.122 9.777 2.352 1.00 20.00 C ATOM 1143 NH1 ARG A 477 1.117 10.173 1.619 1.00 20.00 N ATOM 1144 NH2 ARG A 477 -0.644 8.869 1.824 1.00 20.00 N ATOM 0 H ARG A 477 -2.483 13.444 7.118 1.00 20.00 H new ATOM 0 HA ARG A 477 -0.101 14.705 6.139 1.00 20.00 H new ATOM 0 HB2 ARG A 477 -0.417 12.259 6.421 1.00 20.00 H new ATOM 0 HB3 ARG A 477 -1.687 12.278 5.213 1.00 20.00 H new ATOM 0 HG2 ARG A 477 -0.136 12.892 3.453 1.00 20.00 H new ATOM 0 HG3 ARG A 477 1.134 13.260 4.603 1.00 20.00 H new ATOM 0 HD2 ARG A 477 1.775 11.145 3.851 1.00 20.00 H new ATOM 0 HD3 ARG A 477 0.915 10.755 5.328 1.00 20.00 H new ATOM 0 HE ARG A 477 -0.992 10.001 4.005 1.00 20.00 H new ATOM 0 HH11 ARG A 477 1.756 10.887 1.969 1.00 20.00 H new ATOM 0 HH12 ARG A 477 1.260 9.771 0.693 1.00 20.00 H new ATOM 0 HH21 ARG A 477 -1.447 8.515 2.343 1.00 20.00 H new ATOM 0 HH22 ARG A 477 -0.442 8.511 0.891 1.00 20.00 H new ATOM 1158 N VAL A 478 -0.676 15.834 4.035 1.00 20.00 N ATOM 1159 CA VAL A 478 -1.075 16.747 2.955 1.00 20.00 C ATOM 1160 C VAL A 478 -1.124 16.017 1.609 1.00 20.00 C ATOM 1161 O VAL A 478 -0.118 15.510 1.113 1.00 20.00 O ATOM 1162 CB VAL A 478 -0.173 17.987 2.857 1.00 20.00 C ATOM 1163 CG1 VAL A 478 -0.782 19.039 1.919 1.00 20.00 C ATOM 1164 CG2 VAL A 478 0.065 18.659 4.218 1.00 20.00 C ATOM 0 H VAL A 478 0.310 15.892 4.289 1.00 20.00 H new ATOM 0 HA VAL A 478 -2.076 17.099 3.206 1.00 20.00 H new ATOM 0 HB VAL A 478 0.779 17.625 2.468 1.00 20.00 H new ATOM 0 HG11 VAL A 478 -0.123 19.906 1.868 1.00 20.00 H new ATOM 0 HG12 VAL A 478 -0.900 18.613 0.922 1.00 20.00 H new ATOM 0 HG13 VAL A 478 -1.756 19.346 2.300 1.00 20.00 H new ATOM 0 HG21 VAL A 478 0.709 19.529 4.087 1.00 20.00 H new ATOM 0 HG22 VAL A 478 -0.889 18.974 4.640 1.00 20.00 H new ATOM 0 HG23 VAL A 478 0.545 17.951 4.894 1.00 20.00 H new ATOM 1174 N LEU A 479 -2.318 15.985 1.027 1.00 20.00 N ATOM 1175 CA LEU A 479 -2.665 15.285 -0.218 1.00 20.00 C ATOM 1176 C LEU A 479 -3.546 16.162 -1.136 1.00 20.00 C ATOM 1177 O LEU A 479 -4.282 17.019 -0.633 1.00 20.00 O ATOM 1178 CB LEU A 479 -3.395 13.969 0.136 1.00 20.00 C ATOM 1179 CG LEU A 479 -2.525 12.892 0.811 1.00 20.00 C ATOM 1180 CD1 LEU A 479 -3.400 11.715 1.243 1.00 20.00 C ATOM 1181 CD2 LEU A 479 -1.454 12.349 -0.135 1.00 20.00 C ATOM 0 H LEU A 479 -3.119 16.472 1.429 1.00 20.00 H new ATOM 0 HA LEU A 479 -1.748 15.066 -0.766 1.00 20.00 H new ATOM 0 HB2 LEU A 479 -4.231 14.203 0.796 1.00 20.00 H new ATOM 0 HB3 LEU A 479 -3.818 13.551 -0.778 1.00 20.00 H new ATOM 0 HG LEU A 479 -2.042 13.363 1.667 1.00 20.00 H new ATOM 0 HD11 LEU A 479 -2.780 10.956 1.720 1.00 20.00 H new ATOM 0 HD12 LEU A 479 -4.155 12.062 1.948 1.00 20.00 H new ATOM 0 HD13 LEU A 479 -3.890 11.286 0.369 1.00 20.00 H new ATOM 0 HD21 LEU A 479 -0.863 11.592 0.381 1.00 20.00 H new ATOM 0 HD22 LEU A 479 -1.931 11.904 -1.008 1.00 20.00 H new ATOM 0 HD23 LEU A 479 -0.803 13.163 -0.453 1.00 20.00 H new ATOM 1193 N PRO A 480 -3.510 15.959 -2.470 1.00 20.00 N ATOM 1194 CA PRO A 480 -4.349 16.693 -3.421 1.00 20.00 C ATOM 1195 C PRO A 480 -5.840 16.327 -3.303 1.00 20.00 C ATOM 1196 O PRO A 480 -6.198 15.196 -2.967 1.00 20.00 O ATOM 1197 CB PRO A 480 -3.785 16.354 -4.806 1.00 20.00 C ATOM 1198 CG PRO A 480 -3.191 14.959 -4.611 1.00 20.00 C ATOM 1199 CD PRO A 480 -2.656 15.014 -3.181 1.00 20.00 C ATOM 0 HA PRO A 480 -4.318 17.764 -3.223 1.00 20.00 H new ATOM 0 HB2 PRO A 480 -4.563 16.357 -5.569 1.00 20.00 H new ATOM 0 HB3 PRO A 480 -3.028 17.073 -5.120 1.00 20.00 H new ATOM 0 HG2 PRO A 480 -3.943 14.179 -4.732 1.00 20.00 H new ATOM 0 HG3 PRO A 480 -2.399 14.753 -5.331 1.00 20.00 H new ATOM 0 HD2 PRO A 480 -2.689 14.030 -2.714 1.00 20.00 H new ATOM 0 HD3 PRO A 480 -1.616 15.340 -3.165 1.00 20.00 H new