USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 458 CYS SG : rot 162:sc= 0.528 USER MOD Set 1.2: A 464 CYS SG : rot -159:sc= 0.148 USER MOD Set 1.3: A 469 CYS SG : rot -134:sc= 0.101 USER MOD Set 1.4: A 473 HIS : no HE2:sc= 0.0111 X(o=0.79,f=0.79) USER MOD Set 2.1: A 437 CYS SG : rot -164:sc= 0.176 USER MOD Set 2.2: A 443 CYS SG : rot -165:sc= 1.25 USER MOD Set 2.3: A 448 CYS SG : rot -156:sc= -0.621 USER MOD Set 2.4: A 452 HIS : no HE2:sc= -4.69! K(o=-3.9!,f=-2) USER MOD Set 3.1: A 427 LYS NZ :NH3+ -113:sc= 0.112 (180deg=0) USER MOD Set 3.2: A 428 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 415 CYS SG : rot -164:sc= 0.189 USER MOD Set 4.2: A 421 CYS SG : rot -179:sc= 0.301 USER MOD Set 4.3: A 426 CYS SG : rot -122:sc= 0.213 USER MOD Set 4.4: A 430 HIS : no HE2:sc= -0.773 X(o=-0.069,f=-0.42) USER MOD Single : A 410 LYS NZ :NH3+ -138:sc= 0.99 (180deg=-0.038) USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= 1.68 K(o=1.7,f=-7.2!) 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= -0.0471 X(o=-0.047,f=-0.047) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 ASN : amide:sc= 0.488 K(o=0.49,f=-5.8!) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS : no HD1:sc= 0.0215 K(o=0.021,f=-1.1) USER MOD Single : A 436 MET CE :methyl 150:sc= 0 (180deg=-0.0399) USER MOD Single : A 442 ASN : amide:sc= 0.702 K(o=0.7,f=0) USER MOD Single : A 444 THR OG1 : rot 180:sc=0.000678 USER MOD Single : A 455 ASN : amide:sc= 0.325 K(o=0.32,f=-3.7!) USER MOD Single : A 463 ASN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 465 LYS NZ :NH3+ 172:sc= 0.643 (180deg=0.552) USER MOD Single : A 466 ASN : amide:sc= -0.395 K(o=-0.39,f=-4.6!) USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 409 1.140 -15.130 -4.804 1.00 20.00 N ATOM 62 CA GLU A 409 0.147 -14.096 -4.473 1.00 20.00 C ATOM 63 C GLU A 409 -1.203 -14.625 -3.960 1.00 20.00 C ATOM 64 O GLU A 409 -2.255 -14.355 -4.540 1.00 20.00 O ATOM 65 CB GLU A 409 0.054 -13.009 -5.552 1.00 20.00 C ATOM 66 CG GLU A 409 -0.251 -13.497 -6.975 1.00 20.00 C ATOM 67 CD GLU A 409 -0.463 -12.314 -7.940 1.00 20.00 C ATOM 68 OE1 GLU A 409 0.486 -11.525 -8.169 1.00 20.00 O ATOM 69 OE2 GLU A 409 -1.580 -12.178 -8.499 1.00 20.00 O ATOM 0 HA GLU A 409 0.539 -13.593 -3.589 1.00 20.00 H new ATOM 0 HB2 GLU A 409 -0.720 -12.300 -5.259 1.00 20.00 H new ATOM 0 HB3 GLU A 409 0.997 -12.462 -5.571 1.00 20.00 H new ATOM 0 HG2 GLU A 409 0.570 -14.118 -7.333 1.00 20.00 H new ATOM 0 HG3 GLU A 409 -1.143 -14.124 -6.963 1.00 20.00 H new ATOM 76 N LYS A 410 -1.171 -15.402 -2.868 1.00 20.00 N ATOM 77 CA LYS A 410 -2.359 -15.811 -2.086 1.00 20.00 C ATOM 78 C LYS A 410 -2.298 -15.410 -0.609 1.00 20.00 C ATOM 79 O LYS A 410 -3.239 -15.675 0.142 1.00 20.00 O ATOM 80 CB LYS A 410 -2.616 -17.327 -2.241 1.00 20.00 C ATOM 81 CG LYS A 410 -2.781 -17.825 -3.686 1.00 20.00 C ATOM 82 CD LYS A 410 -4.043 -17.279 -4.376 1.00 20.00 C ATOM 83 CE LYS A 410 -3.963 -17.348 -5.907 1.00 20.00 C ATOM 84 NZ LYS A 410 -2.958 -16.396 -6.449 1.00 20.00 N ATOM 0 H LYS A 410 -0.300 -15.775 -2.490 1.00 20.00 H new ATOM 0 HA LYS A 410 -3.201 -15.260 -2.504 1.00 20.00 H new ATOM 0 HB2 LYS A 410 -1.788 -17.867 -1.781 1.00 20.00 H new ATOM 0 HB3 LYS A 410 -3.515 -17.585 -1.681 1.00 20.00 H new ATOM 0 HG2 LYS A 410 -1.904 -17.536 -4.265 1.00 20.00 H new ATOM 0 HG3 LYS A 410 -2.818 -18.914 -3.686 1.00 20.00 H new ATOM 0 HD2 LYS A 410 -4.910 -17.845 -4.037 1.00 20.00 H new ATOM 0 HD3 LYS A 410 -4.199 -16.244 -4.071 1.00 20.00 H new ATOM 0 HE2 LYS A 410 -3.705 -18.362 -6.213 1.00 20.00 H new ATOM 0 HE3 LYS A 410 -4.941 -17.126 -6.333 1.00 20.00 H new ATOM 0 HZ1 LYS A 410 -3.341 -15.932 -7.297 1.00 20.00 H new ATOM 0 HZ2 LYS A 410 -2.738 -15.677 -5.730 1.00 20.00 H new ATOM 0 HZ3 LYS A 410 -2.090 -16.912 -6.699 1.00 20.00 H new ATOM 98 N SER A 411 -1.233 -14.726 -0.197 1.00 20.00 N ATOM 99 CA SER A 411 -1.173 -14.040 1.094 1.00 20.00 C ATOM 100 C SER A 411 -1.985 -12.749 1.045 1.00 20.00 C ATOM 101 O SER A 411 -1.882 -11.980 0.087 1.00 20.00 O ATOM 102 CB SER A 411 0.266 -13.725 1.476 1.00 20.00 C ATOM 103 OG SER A 411 0.318 -13.298 2.827 1.00 20.00 O ATOM 0 H SER A 411 -0.382 -14.631 -0.752 1.00 20.00 H new ATOM 0 HA SER A 411 -1.596 -14.704 1.848 1.00 20.00 H new ATOM 0 HB2 SER A 411 0.891 -14.608 1.339 1.00 20.00 H new ATOM 0 HB3 SER A 411 0.664 -12.948 0.823 1.00 20.00 H new ATOM 0 HG SER A 411 1.246 -13.097 3.071 1.00 20.00 H new ATOM 109 N LEU A 412 -2.786 -12.507 2.084 1.00 20.00 N ATOM 110 CA LEU A 412 -3.652 -11.327 2.189 1.00 20.00 C ATOM 111 C LEU A 412 -2.903 -10.065 2.663 1.00 20.00 C ATOM 112 O LEU A 412 -3.395 -8.944 2.524 1.00 20.00 O ATOM 113 CB LEU A 412 -4.859 -11.702 3.071 1.00 20.00 C ATOM 114 CG LEU A 412 -6.047 -10.730 2.977 1.00 20.00 C ATOM 115 CD1 LEU A 412 -6.635 -10.688 1.564 1.00 20.00 C ATOM 116 CD2 LEU A 412 -7.145 -11.168 3.946 1.00 20.00 C ATOM 0 H LEU A 412 -2.854 -13.132 2.887 1.00 20.00 H new ATOM 0 HA LEU A 412 -4.011 -11.046 1.199 1.00 20.00 H new ATOM 0 HB2 LEU A 412 -5.200 -12.699 2.793 1.00 20.00 H new ATOM 0 HB3 LEU A 412 -4.531 -11.755 4.109 1.00 20.00 H new ATOM 0 HG LEU A 412 -5.679 -9.736 3.231 1.00 20.00 H new ATOM 0 HD11 LEU A 412 -7.472 -9.990 1.539 1.00 20.00 H new ATOM 0 HD12 LEU A 412 -5.869 -10.362 0.861 1.00 20.00 H new ATOM 0 HD13 LEU A 412 -6.983 -11.682 1.285 1.00 20.00 H new ATOM 0 HD21 LEU A 412 -7.986 -10.478 3.878 1.00 20.00 H new ATOM 0 HD22 LEU A 412 -7.478 -12.173 3.688 1.00 20.00 H new ATOM 0 HD23 LEU A 412 -6.755 -11.165 4.964 1.00 20.00 H new ATOM 128 N GLU A 413 -1.680 -10.232 3.157 1.00 20.00 N ATOM 129 CA GLU A 413 -0.731 -9.129 3.321 1.00 20.00 C ATOM 130 C GLU A 413 -0.306 -8.548 1.959 1.00 20.00 C ATOM 131 O GLU A 413 -0.265 -9.250 0.946 1.00 20.00 O ATOM 132 CB GLU A 413 0.483 -9.598 4.132 1.00 20.00 C ATOM 133 CG GLU A 413 0.182 -9.607 5.631 1.00 20.00 C ATOM 134 CD GLU A 413 1.390 -10.117 6.440 1.00 20.00 C ATOM 135 OE1 GLU A 413 1.541 -11.354 6.585 1.00 20.00 O ATOM 136 OE2 GLU A 413 2.186 -9.287 6.942 1.00 20.00 O ATOM 0 H GLU A 413 -1.316 -11.137 3.456 1.00 20.00 H new ATOM 0 HA GLU A 413 -1.224 -8.327 3.870 1.00 20.00 H new ATOM 0 HB2 GLU A 413 0.772 -10.599 3.811 1.00 20.00 H new ATOM 0 HB3 GLU A 413 1.331 -8.942 3.933 1.00 20.00 H new ATOM 0 HG2 GLU A 413 -0.079 -8.600 5.958 1.00 20.00 H new ATOM 0 HG3 GLU A 413 -0.683 -10.240 5.827 1.00 20.00 H new ATOM 143 N GLN A 414 0.028 -7.256 1.945 1.00 20.00 N ATOM 144 CA GLN A 414 0.541 -6.559 0.758 1.00 20.00 C ATOM 145 C GLN A 414 2.065 -6.366 0.825 1.00 20.00 C ATOM 146 O GLN A 414 2.638 -6.114 1.887 1.00 20.00 O ATOM 147 CB GLN A 414 -0.272 -5.277 0.493 1.00 20.00 C ATOM 148 CG GLN A 414 0.226 -4.466 -0.718 1.00 20.00 C ATOM 149 CD GLN A 414 -0.791 -3.485 -1.281 1.00 20.00 C ATOM 150 OE1 GLN A 414 -0.771 -2.304 -0.989 1.00 20.00 O ATOM 151 NE2 GLN A 414 -1.699 -3.911 -2.136 1.00 20.00 N ATOM 0 H GLN A 414 -0.050 -6.655 2.766 1.00 20.00 H new ATOM 0 HA GLN A 414 0.393 -7.185 -0.122 1.00 20.00 H new ATOM 0 HB2 GLN A 414 -1.316 -5.546 0.334 1.00 20.00 H new ATOM 0 HB3 GLN A 414 -0.237 -4.646 1.381 1.00 20.00 H new ATOM 0 HG2 GLN A 414 1.121 -3.916 -0.428 1.00 20.00 H new ATOM 0 HG3 GLN A 414 0.520 -5.158 -1.507 1.00 20.00 H new ATOM 0 HE21 GLN A 414 -1.733 -4.897 -2.394 1.00 20.00 H new ATOM 0 HE22 GLN A 414 -2.367 -3.255 -2.539 1.00 20.00 H new ATOM 160 N CYS A 415 2.710 -6.499 -0.334 1.00 20.00 N ATOM 161 CA CYS A 415 4.115 -6.198 -0.567 1.00 20.00 C ATOM 162 C CYS A 415 4.473 -4.722 -0.295 1.00 20.00 C ATOM 163 O CYS A 415 3.626 -3.832 -0.402 1.00 20.00 O ATOM 164 CB CYS A 415 4.414 -6.587 -2.008 1.00 20.00 C ATOM 165 SG CYS A 415 6.139 -7.179 -2.113 1.00 20.00 S ATOM 0 H CYS A 415 2.240 -6.836 -1.174 1.00 20.00 H new ATOM 0 HA CYS A 415 4.730 -6.764 0.132 1.00 20.00 H new ATOM 0 HB2 CYS A 415 3.727 -7.366 -2.339 1.00 20.00 H new ATOM 0 HB3 CYS A 415 4.268 -5.732 -2.668 1.00 20.00 H new ATOM 0 HG CYS A 415 6.518 -7.193 -3.356 1.00 20.00 H new ATOM 170 N LYS A 416 5.750 -4.448 -0.005 1.00 20.00 N ATOM 171 CA LYS A 416 6.256 -3.088 0.273 1.00 20.00 C ATOM 172 C LYS A 416 6.737 -2.319 -0.972 1.00 20.00 C ATOM 173 O LYS A 416 7.035 -1.128 -0.863 1.00 20.00 O ATOM 174 CB LYS A 416 7.299 -3.135 1.403 1.00 20.00 C ATOM 175 CG LYS A 416 8.647 -3.719 0.953 1.00 20.00 C ATOM 176 CD LYS A 416 9.648 -3.893 2.103 1.00 20.00 C ATOM 177 CE LYS A 416 9.267 -5.083 2.995 1.00 20.00 C ATOM 178 NZ LYS A 416 10.255 -5.287 4.086 1.00 20.00 N ATOM 0 H LYS A 416 6.472 -5.167 0.045 1.00 20.00 H new ATOM 0 HA LYS A 416 5.407 -2.496 0.616 1.00 20.00 H new ATOM 0 HB2 LYS A 416 7.456 -2.127 1.787 1.00 20.00 H new ATOM 0 HB3 LYS A 416 6.907 -3.732 2.227 1.00 20.00 H new ATOM 0 HG2 LYS A 416 8.476 -4.686 0.480 1.00 20.00 H new ATOM 0 HG3 LYS A 416 9.083 -3.067 0.197 1.00 20.00 H new ATOM 0 HD2 LYS A 416 10.649 -4.044 1.698 1.00 20.00 H new ATOM 0 HD3 LYS A 416 9.681 -2.982 2.701 1.00 20.00 H new ATOM 0 HE2 LYS A 416 8.279 -4.915 3.424 1.00 20.00 H new ATOM 0 HE3 LYS A 416 9.202 -5.987 2.389 1.00 20.00 H new ATOM 0 HZ1 LYS A 416 9.966 -6.099 4.669 1.00 20.00 H new ATOM 0 HZ2 LYS A 416 11.192 -5.472 3.675 1.00 20.00 H new ATOM 0 HZ3 LYS A 416 10.299 -4.434 4.679 1.00 20.00 H new ATOM 192 N PHE A 417 6.805 -2.971 -2.140 1.00 20.00 N ATOM 193 CA PHE A 417 7.350 -2.392 -3.379 1.00 20.00 C ATOM 194 C PHE A 417 6.319 -2.147 -4.499 1.00 20.00 C ATOM 195 O PHE A 417 6.598 -1.365 -5.408 1.00 20.00 O ATOM 196 CB PHE A 417 8.497 -3.286 -3.868 1.00 20.00 C ATOM 197 CG PHE A 417 9.659 -3.424 -2.900 1.00 20.00 C ATOM 198 CD1 PHE A 417 10.521 -2.332 -2.679 1.00 20.00 C ATOM 199 CD2 PHE A 417 9.892 -4.641 -2.228 1.00 20.00 C ATOM 200 CE1 PHE A 417 11.611 -2.456 -1.798 1.00 20.00 C ATOM 201 CE2 PHE A 417 10.988 -4.767 -1.353 1.00 20.00 C ATOM 202 CZ PHE A 417 11.847 -3.675 -1.139 1.00 20.00 C ATOM 0 H PHE A 417 6.478 -3.930 -2.254 1.00 20.00 H new ATOM 0 HA PHE A 417 7.706 -1.392 -3.130 1.00 20.00 H new ATOM 0 HB2 PHE A 417 8.099 -4.279 -4.079 1.00 20.00 H new ATOM 0 HB3 PHE A 417 8.873 -2.886 -4.810 1.00 20.00 H new ATOM 0 HD1 PHE A 417 10.344 -1.396 -3.188 1.00 20.00 H new ATOM 0 HD2 PHE A 417 9.228 -5.479 -2.385 1.00 20.00 H new ATOM 0 HE1 PHE A 417 12.266 -1.615 -1.628 1.00 20.00 H new ATOM 0 HE2 PHE A 417 11.169 -5.703 -0.846 1.00 20.00 H new ATOM 0 HZ PHE A 417 12.688 -3.773 -0.468 1.00 20.00 H new ATOM 212 N GLY A 418 5.131 -2.765 -4.458 1.00 20.00 N ATOM 213 CA GLY A 418 4.069 -2.553 -5.461 1.00 20.00 C ATOM 214 C GLY A 418 4.530 -2.811 -6.903 1.00 20.00 C ATOM 215 O GLY A 418 5.050 -3.884 -7.211 1.00 20.00 O ATOM 0 H GLY A 418 4.875 -3.429 -3.727 1.00 20.00 H new ATOM 0 HA2 GLY A 418 3.229 -3.209 -5.233 1.00 20.00 H new ATOM 0 HA3 GLY A 418 3.704 -1.529 -5.382 1.00 20.00 H new ATOM 219 N THR A 419 4.384 -1.816 -7.784 1.00 20.00 N ATOM 220 CA THR A 419 4.868 -1.851 -9.181 1.00 20.00 C ATOM 221 C THR A 419 6.392 -1.990 -9.312 1.00 20.00 C ATOM 222 O THR A 419 6.880 -2.460 -10.342 1.00 20.00 O ATOM 223 CB THR A 419 4.450 -0.583 -9.947 1.00 20.00 C ATOM 224 OG1 THR A 419 4.893 0.571 -9.259 1.00 20.00 O ATOM 225 CG2 THR A 419 2.936 -0.469 -10.102 1.00 20.00 C ATOM 0 H THR A 419 3.916 -0.941 -7.547 1.00 20.00 H new ATOM 0 HA THR A 419 4.405 -2.741 -9.606 1.00 20.00 H new ATOM 0 HB THR A 419 4.906 -0.658 -10.934 1.00 20.00 H new ATOM 0 HG1 THR A 419 4.623 1.372 -9.756 1.00 20.00 H new ATOM 0 HG21 THR A 419 2.694 0.442 -10.649 1.00 20.00 H new ATOM 0 HG22 THR A 419 2.560 -1.333 -10.651 1.00 20.00 H new ATOM 0 HG23 THR A 419 2.471 -0.435 -9.117 1.00 20.00 H new ATOM 233 N HIS A 420 7.154 -1.619 -8.275 1.00 20.00 N ATOM 234 CA HIS A 420 8.619 -1.732 -8.212 1.00 20.00 C ATOM 235 C HIS A 420 9.102 -3.106 -7.703 1.00 20.00 C ATOM 236 O HIS A 420 10.310 -3.337 -7.621 1.00 20.00 O ATOM 237 CB HIS A 420 9.163 -0.566 -7.367 1.00 20.00 C ATOM 238 CG HIS A 420 10.649 -0.329 -7.498 1.00 20.00 C ATOM 239 ND1 HIS A 420 11.276 0.319 -8.569 1.00 20.00 N ATOM 240 CD2 HIS A 420 11.596 -0.690 -6.585 1.00 20.00 C ATOM 241 CE1 HIS A 420 12.589 0.325 -8.276 1.00 20.00 C ATOM 242 NE2 HIS A 420 12.809 -0.274 -7.092 1.00 20.00 N ATOM 0 H HIS A 420 6.755 -1.218 -7.427 1.00 20.00 H new ATOM 0 HA HIS A 420 9.018 -1.664 -9.224 1.00 20.00 H new ATOM 0 HB2 HIS A 420 8.637 0.346 -7.650 1.00 20.00 H new ATOM 0 HB3 HIS A 420 8.930 -0.756 -6.319 1.00 20.00 H new ATOM 0 HD2 HIS A 420 11.429 -1.201 -5.649 1.00 20.00 H new ATOM 0 HE1 HIS A 420 13.358 0.751 -8.903 1.00 20.00 H new ATOM 0 HE2 HIS A 420 13.718 -0.399 -6.646 1.00 20.00 H new ATOM 250 N CYS A 421 8.189 -4.031 -7.367 1.00 20.00 N ATOM 251 CA CYS A 421 8.546 -5.361 -6.882 1.00 20.00 C ATOM 252 C CYS A 421 9.328 -6.158 -7.950 1.00 20.00 C ATOM 253 O CYS A 421 8.949 -6.197 -9.127 1.00 20.00 O ATOM 254 CB CYS A 421 7.317 -6.117 -6.396 1.00 20.00 C ATOM 255 SG CYS A 421 7.963 -7.551 -5.459 1.00 20.00 S ATOM 0 H CYS A 421 7.183 -3.871 -7.426 1.00 20.00 H new ATOM 0 HA CYS A 421 9.209 -5.238 -6.026 1.00 20.00 H new ATOM 0 HB2 CYS A 421 6.692 -5.485 -5.765 1.00 20.00 H new ATOM 0 HB3 CYS A 421 6.699 -6.442 -7.233 1.00 20.00 H new ATOM 0 HG CYS A 421 6.970 -8.262 -5.015 1.00 20.00 H new ATOM 260 N THR A 422 10.433 -6.784 -7.543 1.00 20.00 N ATOM 261 CA THR A 422 11.445 -7.369 -8.439 1.00 20.00 C ATOM 262 C THR A 422 11.249 -8.863 -8.743 1.00 20.00 C ATOM 263 O THR A 422 12.043 -9.447 -9.487 1.00 20.00 O ATOM 264 CB THR A 422 12.857 -7.090 -7.896 1.00 20.00 C ATOM 265 OG1 THR A 422 12.999 -7.628 -6.595 1.00 20.00 O ATOM 266 CG2 THR A 422 13.129 -5.584 -7.810 1.00 20.00 C ATOM 0 H THR A 422 10.660 -6.904 -6.556 1.00 20.00 H new ATOM 0 HA THR A 422 11.315 -6.873 -9.401 1.00 20.00 H new ATOM 0 HB THR A 422 13.564 -7.555 -8.583 1.00 20.00 H new ATOM 0 HG1 THR A 422 13.902 -7.445 -6.262 1.00 20.00 H new ATOM 0 HG21 THR A 422 14.134 -5.417 -7.423 1.00 20.00 H new ATOM 0 HG22 THR A 422 13.044 -5.142 -8.803 1.00 20.00 H new ATOM 0 HG23 THR A 422 12.402 -5.120 -7.143 1.00 20.00 H new ATOM 274 N ASN A 423 10.191 -9.490 -8.214 1.00 20.00 N ATOM 275 CA ASN A 423 9.860 -10.911 -8.396 1.00 20.00 C ATOM 276 C ASN A 423 8.436 -11.082 -8.976 1.00 20.00 C ATOM 277 O ASN A 423 7.466 -10.533 -8.447 1.00 20.00 O ATOM 278 CB ASN A 423 10.072 -11.613 -7.038 1.00 20.00 C ATOM 279 CG ASN A 423 9.682 -13.086 -6.996 1.00 20.00 C ATOM 280 OD1 ASN A 423 9.325 -13.708 -7.986 1.00 20.00 O ATOM 281 ND2 ASN A 423 9.729 -13.695 -5.836 1.00 20.00 N ATOM 0 H ASN A 423 9.515 -9.004 -7.625 1.00 20.00 H new ATOM 0 HA ASN A 423 10.513 -11.380 -9.132 1.00 20.00 H new ATOM 0 HB2 ASN A 423 11.123 -11.525 -6.763 1.00 20.00 H new ATOM 0 HB3 ASN A 423 9.498 -11.081 -6.279 1.00 20.00 H new ATOM 0 HD21 ASN A 423 9.469 -14.679 -5.766 1.00 20.00 H new ATOM 0 HD22 ASN A 423 10.026 -13.185 -5.004 1.00 20.00 H new ATOM 288 N LYS A 424 8.300 -11.876 -10.050 1.00 20.00 N ATOM 289 CA LYS A 424 7.037 -12.113 -10.785 1.00 20.00 C ATOM 290 C LYS A 424 6.154 -13.234 -10.201 1.00 20.00 C ATOM 291 O LYS A 424 5.018 -13.408 -10.645 1.00 20.00 O ATOM 292 CB LYS A 424 7.347 -12.361 -12.274 1.00 20.00 C ATOM 293 CG LYS A 424 7.973 -11.131 -12.956 1.00 20.00 C ATOM 294 CD LYS A 424 8.209 -11.393 -14.452 1.00 20.00 C ATOM 295 CE LYS A 424 8.887 -10.209 -15.159 1.00 20.00 C ATOM 296 NZ LYS A 424 7.995 -9.023 -15.273 1.00 20.00 N ATOM 0 H LYS A 424 9.087 -12.389 -10.447 1.00 20.00 H new ATOM 0 HA LYS A 424 6.439 -11.209 -10.672 1.00 20.00 H new ATOM 0 HB2 LYS A 424 8.027 -13.208 -12.365 1.00 20.00 H new ATOM 0 HB3 LYS A 424 6.428 -12.633 -12.793 1.00 20.00 H new ATOM 0 HG2 LYS A 424 7.317 -10.269 -12.833 1.00 20.00 H new ATOM 0 HG3 LYS A 424 8.918 -10.884 -12.473 1.00 20.00 H new ATOM 0 HD2 LYS A 424 8.827 -12.283 -14.568 1.00 20.00 H new ATOM 0 HD3 LYS A 424 7.255 -11.602 -14.936 1.00 20.00 H new ATOM 0 HE2 LYS A 424 9.787 -9.931 -14.611 1.00 20.00 H new ATOM 0 HE3 LYS A 424 9.203 -10.518 -16.155 1.00 20.00 H new ATOM 0 HZ1 LYS A 424 8.500 -8.254 -15.757 1.00 20.00 H new ATOM 0 HZ2 LYS A 424 7.147 -9.277 -15.819 1.00 20.00 H new ATOM 0 HZ3 LYS A 424 7.713 -8.708 -14.323 1.00 20.00 H new ATOM 310 N ARG A 425 6.653 -13.973 -9.201 1.00 20.00 N ATOM 311 CA ARG A 425 5.956 -15.063 -8.471 1.00 20.00 C ATOM 312 C ARG A 425 5.665 -14.710 -6.995 1.00 20.00 C ATOM 313 O ARG A 425 5.328 -15.582 -6.192 1.00 20.00 O ATOM 314 CB ARG A 425 6.759 -16.372 -8.624 1.00 20.00 C ATOM 315 CG ARG A 425 6.903 -16.806 -10.094 1.00 20.00 C ATOM 316 CD ARG A 425 7.683 -18.120 -10.220 1.00 20.00 C ATOM 317 NE ARG A 425 7.829 -18.520 -11.635 1.00 20.00 N ATOM 318 CZ ARG A 425 8.526 -19.540 -12.103 1.00 20.00 C ATOM 319 NH1 ARG A 425 9.189 -20.346 -11.323 1.00 20.00 N ATOM 320 NH2 ARG A 425 8.573 -19.772 -13.384 1.00 20.00 N ATOM 0 H ARG A 425 7.601 -13.826 -8.855 1.00 20.00 H new ATOM 0 HA ARG A 425 4.972 -15.203 -8.919 1.00 20.00 H new ATOM 0 HB2 ARG A 425 7.750 -16.240 -8.189 1.00 20.00 H new ATOM 0 HB3 ARG A 425 6.266 -17.165 -8.061 1.00 20.00 H new ATOM 0 HG2 ARG A 425 5.914 -16.925 -10.537 1.00 20.00 H new ATOM 0 HG3 ARG A 425 7.413 -16.024 -10.657 1.00 20.00 H new ATOM 0 HD2 ARG A 425 8.668 -18.006 -9.768 1.00 20.00 H new ATOM 0 HD3 ARG A 425 7.168 -18.906 -9.668 1.00 20.00 H new ATOM 0 HE ARG A 425 7.340 -17.948 -12.323 1.00 20.00 H new ATOM 0 HH11 ARG A 425 9.181 -20.200 -10.314 1.00 20.00 H new ATOM 0 HH12 ARG A 425 9.716 -21.123 -11.722 1.00 20.00 H new ATOM 0 HH21 ARG A 425 8.070 -19.165 -14.031 1.00 20.00 H new ATOM 0 HH22 ARG A 425 9.113 -20.561 -13.740 1.00 20.00 H new ATOM 334 N CYS A 426 5.834 -13.431 -6.649 1.00 20.00 N ATOM 335 CA CYS A 426 5.883 -12.924 -5.286 1.00 20.00 C ATOM 336 C CYS A 426 4.555 -13.105 -4.523 1.00 20.00 C ATOM 337 O CYS A 426 3.469 -13.120 -5.105 1.00 20.00 O ATOM 338 CB CYS A 426 6.464 -11.526 -5.373 1.00 20.00 C ATOM 339 SG CYS A 426 6.657 -10.767 -3.730 1.00 20.00 S ATOM 0 H CYS A 426 5.945 -12.694 -7.345 1.00 20.00 H new ATOM 0 HA CYS A 426 6.541 -13.510 -4.644 1.00 20.00 H new ATOM 0 HB2 CYS A 426 7.433 -11.566 -5.870 1.00 20.00 H new ATOM 0 HB3 CYS A 426 5.816 -10.901 -5.988 1.00 20.00 H new ATOM 0 HG CYS A 426 5.977 -9.660 -3.681 1.00 20.00 H new ATOM 344 N LYS A 427 4.659 -13.343 -3.211 1.00 20.00 N ATOM 345 CA LYS A 427 3.648 -14.072 -2.419 1.00 20.00 C ATOM 346 C LYS A 427 2.502 -13.218 -1.865 1.00 20.00 C ATOM 347 O LYS A 427 1.533 -13.763 -1.335 1.00 20.00 O ATOM 348 CB LYS A 427 4.390 -14.899 -1.347 1.00 20.00 C ATOM 349 CG LYS A 427 3.613 -16.133 -0.865 1.00 20.00 C ATOM 350 CD LYS A 427 4.412 -16.984 0.137 1.00 20.00 C ATOM 351 CE LYS A 427 4.837 -16.271 1.432 1.00 20.00 C ATOM 352 NZ LYS A 427 3.689 -15.685 2.174 1.00 20.00 N ATOM 0 H LYS A 427 5.457 -13.033 -2.657 1.00 20.00 H new ATOM 0 HA LYS A 427 3.108 -14.739 -3.091 1.00 20.00 H new ATOM 0 HB2 LYS A 427 5.350 -15.221 -1.751 1.00 20.00 H new ATOM 0 HB3 LYS A 427 4.603 -14.259 -0.491 1.00 20.00 H new ATOM 0 HG2 LYS A 427 2.681 -15.812 -0.400 1.00 20.00 H new ATOM 0 HG3 LYS A 427 3.345 -16.747 -1.725 1.00 20.00 H new ATOM 0 HD2 LYS A 427 3.813 -17.855 0.404 1.00 20.00 H new ATOM 0 HD3 LYS A 427 5.307 -17.354 -0.362 1.00 20.00 H new ATOM 0 HE2 LYS A 427 5.356 -16.980 2.077 1.00 20.00 H new ATOM 0 HE3 LYS A 427 5.548 -15.481 1.189 1.00 20.00 H new ATOM 0 HZ1 LYS A 427 3.759 -14.647 2.159 1.00 20.00 H new ATOM 0 HZ2 LYS A 427 2.799 -15.978 1.724 1.00 20.00 H new ATOM 0 HZ3 LYS A 427 3.705 -16.019 3.159 1.00 20.00 H new ATOM 366 N TYR A 428 2.576 -11.902 -2.025 1.00 20.00 N ATOM 367 CA TYR A 428 1.718 -10.914 -1.384 1.00 20.00 C ATOM 368 C TYR A 428 0.827 -10.216 -2.415 1.00 20.00 C ATOM 369 O TYR A 428 1.034 -10.351 -3.626 1.00 20.00 O ATOM 370 CB TYR A 428 2.646 -9.954 -0.621 1.00 20.00 C ATOM 371 CG TYR A 428 3.444 -10.671 0.453 1.00 20.00 C ATOM 372 CD1 TYR A 428 4.617 -11.376 0.119 1.00 20.00 C ATOM 373 CD2 TYR A 428 2.939 -10.742 1.762 1.00 20.00 C ATOM 374 CE1 TYR A 428 5.233 -12.210 1.068 1.00 20.00 C ATOM 375 CE2 TYR A 428 3.585 -11.525 2.738 1.00 20.00 C ATOM 376 CZ TYR A 428 4.728 -12.279 2.385 1.00 20.00 C ATOM 377 OH TYR A 428 5.318 -13.104 3.293 1.00 20.00 O ATOM 0 H TYR A 428 3.271 -11.474 -2.636 1.00 20.00 H new ATOM 0 HA TYR A 428 1.023 -11.372 -0.681 1.00 20.00 H new ATOM 0 HB2 TYR A 428 3.330 -9.476 -1.323 1.00 20.00 H new ATOM 0 HB3 TYR A 428 2.053 -9.162 -0.164 1.00 20.00 H new ATOM 0 HD1 TYR A 428 5.044 -11.275 -0.868 1.00 20.00 H new ATOM 0 HD2 TYR A 428 2.047 -10.191 2.022 1.00 20.00 H new ATOM 0 HE1 TYR A 428 6.094 -12.799 0.789 1.00 20.00 H new ATOM 0 HE2 TYR A 428 3.210 -11.550 3.750 1.00 20.00 H new ATOM 0 HH TYR A 428 4.851 -13.033 4.151 1.00 20.00 H new ATOM 387 N ARG A 429 -0.149 -9.433 -1.948 1.00 20.00 N ATOM 388 CA ARG A 429 -0.834 -8.458 -2.814 1.00 20.00 C ATOM 389 C ARG A 429 0.182 -7.412 -3.303 1.00 20.00 C ATOM 390 O ARG A 429 1.146 -7.131 -2.599 1.00 20.00 O ATOM 391 CB ARG A 429 -2.054 -7.852 -2.085 1.00 20.00 C ATOM 392 CG ARG A 429 -3.060 -8.938 -1.658 1.00 20.00 C ATOM 393 CD ARG A 429 -4.439 -8.389 -1.264 1.00 20.00 C ATOM 394 NE ARG A 429 -4.519 -7.861 0.111 1.00 20.00 N ATOM 395 CZ ARG A 429 -5.632 -7.480 0.720 1.00 20.00 C ATOM 396 NH1 ARG A 429 -6.771 -7.368 0.100 1.00 20.00 N ATOM 397 NH2 ARG A 429 -5.638 -7.250 1.996 1.00 20.00 N ATOM 0 H ARG A 429 -0.484 -9.451 -0.985 1.00 20.00 H new ATOM 0 HA ARG A 429 -1.236 -8.949 -3.701 1.00 20.00 H new ATOM 0 HB2 ARG A 429 -1.717 -7.303 -1.206 1.00 20.00 H new ATOM 0 HB3 ARG A 429 -2.549 -7.134 -2.739 1.00 20.00 H new ATOM 0 HG2 ARG A 429 -3.183 -9.648 -2.476 1.00 20.00 H new ATOM 0 HG3 ARG A 429 -2.646 -9.492 -0.815 1.00 20.00 H new ATOM 0 HD2 ARG A 429 -4.712 -7.596 -1.960 1.00 20.00 H new ATOM 0 HD3 ARG A 429 -5.178 -9.182 -1.378 1.00 20.00 H new ATOM 0 HE ARG A 429 -3.647 -7.783 0.635 1.00 20.00 H new ATOM 0 HH11 ARG A 429 -6.832 -7.577 -0.896 1.00 20.00 H new ATOM 0 HH12 ARG A 429 -7.603 -7.071 0.611 1.00 20.00 H new ATOM 0 HH21 ARG A 429 -4.782 -7.362 2.538 1.00 20.00 H new ATOM 0 HH22 ARG A 429 -6.499 -6.957 2.457 1.00 20.00 H new ATOM 411 N HIS A 430 -0.020 -6.822 -4.479 1.00 20.00 N ATOM 412 CA HIS A 430 0.840 -5.769 -5.044 1.00 20.00 C ATOM 413 C HIS A 430 -0.010 -4.582 -5.548 1.00 20.00 C ATOM 414 O HIS A 430 -0.894 -4.763 -6.388 1.00 20.00 O ATOM 415 CB HIS A 430 1.714 -6.360 -6.173 1.00 20.00 C ATOM 416 CG HIS A 430 2.752 -7.379 -5.738 1.00 20.00 C ATOM 417 ND1 HIS A 430 2.678 -8.757 -5.875 1.00 20.00 N ATOM 418 CD2 HIS A 430 3.968 -7.109 -5.168 1.00 20.00 C ATOM 419 CE1 HIS A 430 3.807 -9.311 -5.385 1.00 20.00 C ATOM 420 NE2 HIS A 430 4.608 -8.324 -4.948 1.00 20.00 N ATOM 0 H HIS A 430 -0.804 -7.064 -5.085 1.00 20.00 H new ATOM 0 HA HIS A 430 1.499 -5.388 -4.264 1.00 20.00 H new ATOM 0 HB2 HIS A 430 1.058 -6.828 -6.908 1.00 20.00 H new ATOM 0 HB3 HIS A 430 2.226 -5.541 -6.678 1.00 20.00 H new ATOM 0 HD1 HIS A 430 1.895 -9.270 -6.281 1.00 20.00 H new ATOM 0 HD2 HIS A 430 4.359 -6.130 -4.932 1.00 20.00 H new ATOM 0 HE1 HIS A 430 4.029 -10.367 -5.350 1.00 20.00 H new ATOM 428 N ALA A 431 0.250 -3.363 -5.053 1.00 20.00 N ATOM 429 CA ALA A 431 -0.454 -2.149 -5.489 1.00 20.00 C ATOM 430 C ALA A 431 0.008 -1.703 -6.890 1.00 20.00 C ATOM 431 O ALA A 431 1.204 -1.489 -7.111 1.00 20.00 O ATOM 432 CB ALA A 431 -0.255 -1.032 -4.454 1.00 20.00 C ATOM 0 H ALA A 431 0.956 -3.191 -4.337 1.00 20.00 H new ATOM 0 HA ALA A 431 -1.518 -2.372 -5.561 1.00 20.00 H new ATOM 0 HB1 ALA A 431 -0.779 -0.134 -4.782 1.00 20.00 H new ATOM 0 HB2 ALA A 431 -0.653 -1.353 -3.491 1.00 20.00 H new ATOM 0 HB3 ALA A 431 0.808 -0.815 -4.353 1.00 20.00 H new ATOM 438 N ARG A 432 -0.942 -1.544 -7.820 1.00 20.00 N ATOM 439 CA ARG A 432 -0.724 -1.139 -9.225 1.00 20.00 C ATOM 440 C ARG A 432 -1.528 0.101 -9.642 1.00 20.00 C ATOM 441 O ARG A 432 -1.153 0.762 -10.612 1.00 20.00 O ATOM 442 CB ARG A 432 -1.000 -2.371 -10.114 1.00 20.00 C ATOM 443 CG ARG A 432 -0.676 -2.181 -11.609 1.00 20.00 C ATOM 444 CD ARG A 432 -1.889 -1.733 -12.442 1.00 20.00 C ATOM 445 NE ARG A 432 -1.499 -1.378 -13.821 1.00 20.00 N ATOM 446 CZ ARG A 432 -1.020 -0.220 -14.244 1.00 20.00 C ATOM 447 NH1 ARG A 432 -0.798 0.785 -13.444 1.00 20.00 N ATOM 448 NH2 ARG A 432 -0.747 -0.048 -15.505 1.00 20.00 N ATOM 0 H ARG A 432 -1.928 -1.699 -7.610 1.00 20.00 H new ATOM 0 HA ARG A 432 0.310 -0.817 -9.350 1.00 20.00 H new ATOM 0 HB2 ARG A 432 -0.418 -3.211 -9.735 1.00 20.00 H new ATOM 0 HB3 ARG A 432 -2.051 -2.642 -10.017 1.00 20.00 H new ATOM 0 HG2 ARG A 432 0.119 -1.442 -11.710 1.00 20.00 H new ATOM 0 HG3 ARG A 432 -0.293 -3.118 -12.013 1.00 20.00 H new ATOM 0 HD2 ARG A 432 -2.629 -2.532 -12.467 1.00 20.00 H new ATOM 0 HD3 ARG A 432 -2.362 -0.875 -11.965 1.00 20.00 H new ATOM 0 HE ARG A 432 -1.611 -2.107 -14.526 1.00 20.00 H new ATOM 0 HH11 ARG A 432 -0.995 0.696 -12.447 1.00 20.00 H new ATOM 0 HH12 ARG A 432 -0.428 1.660 -13.815 1.00 20.00 H new ATOM 0 HH21 ARG A 432 -0.902 -0.807 -16.169 1.00 20.00 H new ATOM 0 HH22 ARG A 432 -0.378 0.846 -15.830 1.00 20.00 H new ATOM 462 N SER A 433 -2.600 0.433 -8.926 1.00 20.00 N ATOM 463 CA SER A 433 -3.509 1.554 -9.208 1.00 20.00 C ATOM 464 C SER A 433 -3.336 2.708 -8.213 1.00 20.00 C ATOM 465 O SER A 433 -2.873 2.528 -7.085 1.00 20.00 O ATOM 466 CB SER A 433 -4.963 1.068 -9.234 1.00 20.00 C ATOM 467 OG SER A 433 -5.147 0.163 -10.311 1.00 20.00 O ATOM 0 H SER A 433 -2.875 -0.092 -8.096 1.00 20.00 H new ATOM 0 HA SER A 433 -3.249 1.944 -10.192 1.00 20.00 H new ATOM 0 HB2 SER A 433 -5.210 0.581 -8.291 1.00 20.00 H new ATOM 0 HB3 SER A 433 -5.638 1.917 -9.341 1.00 20.00 H new ATOM 0 HG SER A 433 -6.077 -0.146 -10.323 1.00 20.00 H new ATOM 473 N HIS A 434 -3.736 3.909 -8.632 1.00 20.00 N ATOM 474 CA HIS A 434 -3.488 5.199 -7.968 1.00 20.00 C ATOM 475 C HIS A 434 -4.396 5.498 -6.750 1.00 20.00 C ATOM 476 O HIS A 434 -4.667 6.660 -6.437 1.00 20.00 O ATOM 477 CB HIS A 434 -3.581 6.304 -9.036 1.00 20.00 C ATOM 478 CG HIS A 434 -5.008 6.608 -9.439 1.00 20.00 C ATOM 479 ND1 HIS A 434 -5.970 5.660 -9.808 1.00 20.00 N ATOM 480 CD2 HIS A 434 -5.618 7.817 -9.288 1.00 20.00 C ATOM 481 CE1 HIS A 434 -7.140 6.320 -9.855 1.00 20.00 C ATOM 482 NE2 HIS A 434 -6.954 7.622 -9.567 1.00 20.00 N ATOM 0 H HIS A 434 -4.273 4.019 -9.492 1.00 20.00 H new ATOM 0 HA HIS A 434 -2.491 5.157 -7.530 1.00 20.00 H new ATOM 0 HB2 HIS A 434 -3.114 7.212 -8.655 1.00 20.00 H new ATOM 0 HB3 HIS A 434 -3.016 6.001 -9.917 1.00 20.00 H new ATOM 0 HD2 HIS A 434 -5.147 8.747 -9.005 1.00 20.00 H new ATOM 0 HE1 HIS A 434 -8.093 5.870 -10.090 1.00 20.00 H new ATOM 0 HE2 HIS A 434 -7.678 8.341 -9.557 1.00 20.00 H new ATOM 490 N ILE A 435 -4.888 4.458 -6.070 1.00 20.00 N ATOM 491 CA ILE A 435 -5.939 4.554 -5.040 1.00 20.00 C ATOM 492 C ILE A 435 -5.648 3.593 -3.886 1.00 20.00 C ATOM 493 O ILE A 435 -5.195 2.471 -4.109 1.00 20.00 O ATOM 494 CB ILE A 435 -7.333 4.339 -5.696 1.00 20.00 C ATOM 495 CG1 ILE A 435 -7.792 5.658 -6.364 1.00 20.00 C ATOM 496 CG2 ILE A 435 -8.423 3.849 -4.728 1.00 20.00 C ATOM 497 CD1 ILE A 435 -9.149 5.601 -7.076 1.00 20.00 C ATOM 0 H ILE A 435 -4.563 3.503 -6.220 1.00 20.00 H new ATOM 0 HA ILE A 435 -5.947 5.552 -4.601 1.00 20.00 H new ATOM 0 HB ILE A 435 -7.204 3.544 -6.430 1.00 20.00 H new ATOM 0 HG12 ILE A 435 -7.834 6.435 -5.601 1.00 20.00 H new ATOM 0 HG13 ILE A 435 -7.035 5.961 -7.087 1.00 20.00 H new ATOM 0 HG21 ILE A 435 -9.361 3.726 -5.269 1.00 20.00 H new ATOM 0 HG22 ILE A 435 -8.124 2.893 -4.297 1.00 20.00 H new ATOM 0 HG23 ILE A 435 -8.557 4.580 -3.931 1.00 20.00 H new ATOM 0 HD11 ILE A 435 -9.374 6.576 -7.508 1.00 20.00 H new ATOM 0 HD12 ILE A 435 -9.113 4.852 -7.868 1.00 20.00 H new ATOM 0 HD13 ILE A 435 -9.925 5.334 -6.359 1.00 20.00 H new ATOM 509 N MET A 436 -5.905 4.035 -2.650 1.00 20.00 N ATOM 510 CA MET A 436 -5.904 3.197 -1.447 1.00 20.00 C ATOM 511 C MET A 436 -7.329 2.710 -1.141 1.00 20.00 C ATOM 512 O MET A 436 -8.309 3.439 -1.314 1.00 20.00 O ATOM 513 CB MET A 436 -5.257 3.930 -0.260 1.00 20.00 C ATOM 514 CG MET A 436 -5.049 3.005 0.949 1.00 20.00 C ATOM 515 SD MET A 436 -4.088 3.696 2.321 1.00 20.00 S ATOM 516 CE MET A 436 -2.425 3.178 1.812 1.00 20.00 C ATOM 0 H MET A 436 -6.125 5.012 -2.454 1.00 20.00 H new ATOM 0 HA MET A 436 -5.291 2.314 -1.629 1.00 20.00 H new ATOM 0 HB2 MET A 436 -4.297 4.342 -0.569 1.00 20.00 H new ATOM 0 HB3 MET A 436 -5.886 4.771 0.032 1.00 20.00 H new ATOM 0 HG2 MET A 436 -6.027 2.711 1.329 1.00 20.00 H new ATOM 0 HG3 MET A 436 -4.554 2.097 0.606 1.00 20.00 H new ATOM 0 HE1 MET A 436 -1.692 3.900 2.174 1.00 20.00 H new ATOM 0 HE2 MET A 436 -2.205 2.196 2.232 1.00 20.00 H new ATOM 0 HE3 MET A 436 -2.377 3.127 0.724 1.00 20.00 H new ATOM 526 N CYS A 437 -7.426 1.455 -0.716 1.00 20.00 N ATOM 527 CA CYS A 437 -8.659 0.682 -0.718 1.00 20.00 C ATOM 528 C CYS A 437 -9.680 1.110 0.354 1.00 20.00 C ATOM 529 O CYS A 437 -9.307 1.548 1.449 1.00 20.00 O ATOM 530 CB CYS A 437 -8.254 -0.775 -0.566 1.00 20.00 C ATOM 531 SG CYS A 437 -9.604 -1.907 -1.031 1.00 20.00 S ATOM 0 H CYS A 437 -6.628 0.935 -0.351 1.00 20.00 H new ATOM 0 HA CYS A 437 -9.189 0.858 -1.654 1.00 20.00 H new ATOM 0 HB2 CYS A 437 -7.381 -0.976 -1.187 1.00 20.00 H new ATOM 0 HB3 CYS A 437 -7.961 -0.965 0.467 1.00 20.00 H new ATOM 0 HG CYS A 437 -9.353 -3.096 -0.568 1.00 20.00 H new ATOM 536 N ARG A 438 -10.973 0.918 0.063 1.00 20.00 N ATOM 537 CA ARG A 438 -12.086 1.270 0.967 1.00 20.00 C ATOM 538 C ARG A 438 -12.102 0.500 2.280 1.00 20.00 C ATOM 539 O ARG A 438 -12.557 1.035 3.291 1.00 20.00 O ATOM 540 CB ARG A 438 -13.446 1.151 0.254 1.00 20.00 C ATOM 541 CG ARG A 438 -13.791 -0.296 -0.140 1.00 20.00 C ATOM 542 CD ARG A 438 -15.287 -0.476 -0.422 1.00 20.00 C ATOM 543 NE ARG A 438 -16.010 -0.695 0.842 1.00 20.00 N ATOM 544 CZ ARG A 438 -17.277 -0.494 1.131 1.00 20.00 C ATOM 545 NH1 ARG A 438 -18.137 -0.009 0.279 1.00 20.00 N ATOM 546 NH2 ARG A 438 -17.677 -0.803 2.327 1.00 20.00 N ATOM 0 H ARG A 438 -11.284 0.509 -0.818 1.00 20.00 H new ATOM 0 HA ARG A 438 -11.909 2.311 1.237 1.00 20.00 H new ATOM 0 HB2 ARG A 438 -14.228 1.541 0.906 1.00 20.00 H new ATOM 0 HB3 ARG A 438 -13.437 1.774 -0.641 1.00 20.00 H new ATOM 0 HG2 ARG A 438 -13.220 -0.576 -1.025 1.00 20.00 H new ATOM 0 HG3 ARG A 438 -13.490 -0.971 0.661 1.00 20.00 H new ATOM 0 HD2 ARG A 438 -15.680 0.406 -0.928 1.00 20.00 H new ATOM 0 HD3 ARG A 438 -15.441 -1.323 -1.091 1.00 20.00 H new ATOM 0 HE ARG A 438 -15.443 -1.057 1.609 1.00 20.00 H new ATOM 0 HH11 ARG A 438 -17.838 0.235 -0.665 1.00 20.00 H new ATOM 0 HH12 ARG A 438 -19.109 0.127 0.557 1.00 20.00 H new ATOM 0 HH21 ARG A 438 -17.016 -1.186 3.003 1.00 20.00 H new ATOM 0 HH22 ARG A 438 -18.652 -0.662 2.591 1.00 20.00 H new ATOM 560 N GLU A 439 -11.601 -0.733 2.271 1.00 20.00 N ATOM 561 CA GLU A 439 -11.538 -1.566 3.474 1.00 20.00 C ATOM 562 C GLU A 439 -10.171 -1.464 4.181 1.00 20.00 C ATOM 563 O GLU A 439 -9.984 -1.961 5.295 1.00 20.00 O ATOM 564 CB GLU A 439 -11.896 -3.029 3.170 1.00 20.00 C ATOM 565 CG GLU A 439 -13.338 -3.276 2.709 1.00 20.00 C ATOM 566 CD GLU A 439 -14.399 -2.727 3.683 1.00 20.00 C ATOM 567 OE1 GLU A 439 -14.426 -3.144 4.864 1.00 20.00 O ATOM 568 OE2 GLU A 439 -15.226 -1.881 3.260 1.00 20.00 O ATOM 0 H GLU A 439 -11.228 -1.183 1.435 1.00 20.00 H new ATOM 0 HA GLU A 439 -12.288 -1.176 4.163 1.00 20.00 H new ATOM 0 HB2 GLU A 439 -11.219 -3.397 2.399 1.00 20.00 H new ATOM 0 HB3 GLU A 439 -11.713 -3.623 4.066 1.00 20.00 H new ATOM 0 HG2 GLU A 439 -13.482 -2.816 1.731 1.00 20.00 H new ATOM 0 HG3 GLU A 439 -13.492 -4.348 2.583 1.00 20.00 H new ATOM 575 N GLY A 440 -9.193 -0.831 3.528 1.00 20.00 N ATOM 576 CA GLY A 440 -7.806 -0.740 3.971 1.00 20.00 C ATOM 577 C GLY A 440 -7.163 -2.124 4.071 1.00 20.00 C ATOM 578 O GLY A 440 -7.278 -2.950 3.168 1.00 20.00 O ATOM 0 H GLY A 440 -9.355 -0.351 2.643 1.00 20.00 H new ATOM 0 HA2 GLY A 440 -7.239 -0.123 3.274 1.00 20.00 H new ATOM 0 HA3 GLY A 440 -7.764 -0.246 4.942 1.00 20.00 H new ATOM 582 N ALA A 441 -6.508 -2.389 5.199 1.00 20.00 N ATOM 583 CA ALA A 441 -5.905 -3.691 5.503 1.00 20.00 C ATOM 584 C ALA A 441 -6.925 -4.756 5.972 1.00 20.00 C ATOM 585 O ALA A 441 -6.559 -5.920 6.153 1.00 20.00 O ATOM 586 CB ALA A 441 -4.773 -3.468 6.510 1.00 20.00 C ATOM 0 H ALA A 441 -6.378 -1.699 5.939 1.00 20.00 H new ATOM 0 HA ALA A 441 -5.501 -4.113 4.583 1.00 20.00 H new ATOM 0 HB1 ALA A 441 -4.308 -4.424 6.752 1.00 20.00 H new ATOM 0 HB2 ALA A 441 -4.027 -2.801 6.077 1.00 20.00 H new ATOM 0 HB3 ALA A 441 -5.177 -3.020 7.418 1.00 20.00 H new ATOM 592 N ASN A 442 -8.207 -4.392 6.134 1.00 20.00 N ATOM 593 CA ASN A 442 -9.302 -5.327 6.428 1.00 20.00 C ATOM 594 C ASN A 442 -9.848 -5.985 5.145 1.00 20.00 C ATOM 595 O ASN A 442 -10.648 -6.921 5.220 1.00 20.00 O ATOM 596 CB ASN A 442 -10.432 -4.606 7.190 1.00 20.00 C ATOM 597 CG ASN A 442 -9.954 -3.759 8.357 1.00 20.00 C ATOM 598 OD1 ASN A 442 -9.736 -4.237 9.461 1.00 20.00 O ATOM 599 ND2 ASN A 442 -9.768 -2.474 8.143 1.00 20.00 N ATOM 0 H ASN A 442 -8.516 -3.422 6.063 1.00 20.00 H new ATOM 0 HA ASN A 442 -8.901 -6.121 7.059 1.00 20.00 H new ATOM 0 HB2 ASN A 442 -10.977 -3.969 6.493 1.00 20.00 H new ATOM 0 HB3 ASN A 442 -11.137 -5.350 7.560 1.00 20.00 H new ATOM 0 HD21 ASN A 442 -9.441 -1.873 8.900 1.00 20.00 H new ATOM 0 HD22 ASN A 442 -9.951 -2.079 7.221 1.00 20.00 H new ATOM 606 N CYS A 443 -9.426 -5.489 3.974 1.00 20.00 N ATOM 607 CA CYS A 443 -9.814 -5.982 2.663 1.00 20.00 C ATOM 608 C CYS A 443 -9.482 -7.472 2.482 1.00 20.00 C ATOM 609 O CYS A 443 -8.348 -7.885 2.744 1.00 20.00 O ATOM 610 CB CYS A 443 -9.061 -5.147 1.632 1.00 20.00 C ATOM 611 SG CYS A 443 -9.547 -5.633 -0.058 1.00 20.00 S ATOM 0 H CYS A 443 -8.779 -4.702 3.922 1.00 20.00 H new ATOM 0 HA CYS A 443 -10.894 -5.891 2.543 1.00 20.00 H new ATOM 0 HB2 CYS A 443 -9.272 -4.089 1.788 1.00 20.00 H new ATOM 0 HB3 CYS A 443 -7.987 -5.281 1.761 1.00 20.00 H new ATOM 0 HG CYS A 443 -8.685 -5.162 -0.910 1.00 20.00 H new ATOM 616 N THR A 444 -10.433 -8.251 1.964 1.00 20.00 N ATOM 617 CA THR A 444 -10.293 -9.690 1.674 1.00 20.00 C ATOM 618 C THR A 444 -9.982 -10.012 0.209 1.00 20.00 C ATOM 619 O THR A 444 -9.891 -11.189 -0.155 1.00 20.00 O ATOM 620 CB THR A 444 -11.520 -10.479 2.163 1.00 20.00 C ATOM 621 OG1 THR A 444 -12.718 -9.852 1.742 1.00 20.00 O ATOM 622 CG2 THR A 444 -11.525 -10.570 3.688 1.00 20.00 C ATOM 0 H THR A 444 -11.357 -7.890 1.724 1.00 20.00 H new ATOM 0 HA THR A 444 -9.416 -10.012 2.236 1.00 20.00 H new ATOM 0 HB THR A 444 -11.462 -11.480 1.735 1.00 20.00 H new ATOM 0 HG1 THR A 444 -13.487 -10.369 2.061 1.00 20.00 H new ATOM 0 HG21 THR A 444 -12.400 -11.131 4.016 1.00 20.00 H new ATOM 0 HG22 THR A 444 -10.621 -11.077 4.025 1.00 20.00 H new ATOM 0 HG23 THR A 444 -11.558 -9.566 4.112 1.00 20.00 H new ATOM 630 N ARG A 445 -9.782 -9.002 -0.653 1.00 20.00 N ATOM 631 CA ARG A 445 -9.557 -9.198 -2.097 1.00 20.00 C ATOM 632 C ARG A 445 -8.082 -9.450 -2.424 1.00 20.00 C ATOM 633 O ARG A 445 -7.282 -8.513 -2.416 1.00 20.00 O ATOM 634 CB ARG A 445 -10.119 -7.990 -2.875 1.00 20.00 C ATOM 635 CG ARG A 445 -10.358 -8.358 -4.353 1.00 20.00 C ATOM 636 CD ARG A 445 -10.929 -7.230 -5.219 1.00 20.00 C ATOM 637 NE ARG A 445 -12.295 -6.842 -4.812 1.00 20.00 N ATOM 638 CZ ARG A 445 -12.725 -5.632 -4.495 1.00 20.00 C ATOM 639 NH1 ARG A 445 -11.933 -4.605 -4.389 1.00 20.00 N ATOM 640 NH2 ARG A 445 -13.993 -5.430 -4.273 1.00 20.00 N ATOM 0 H ARG A 445 -9.772 -8.023 -0.368 1.00 20.00 H new ATOM 0 HA ARG A 445 -10.090 -10.096 -2.410 1.00 20.00 H new ATOM 0 HB2 ARG A 445 -11.054 -7.662 -2.421 1.00 20.00 H new ATOM 0 HB3 ARG A 445 -9.423 -7.154 -2.811 1.00 20.00 H new ATOM 0 HG2 ARG A 445 -9.413 -8.686 -4.787 1.00 20.00 H new ATOM 0 HG3 ARG A 445 -11.040 -9.208 -4.394 1.00 20.00 H new ATOM 0 HD2 ARG A 445 -10.274 -6.361 -5.157 1.00 20.00 H new ATOM 0 HD3 ARG A 445 -10.940 -7.547 -6.262 1.00 20.00 H new ATOM 0 HE ARG A 445 -12.985 -7.592 -4.771 1.00 20.00 H new ATOM 0 HH11 ARG A 445 -10.932 -4.714 -4.553 1.00 20.00 H new ATOM 0 HH12 ARG A 445 -12.313 -3.691 -4.142 1.00 20.00 H new ATOM 0 HH21 ARG A 445 -14.653 -6.205 -4.344 1.00 20.00 H new ATOM 0 HH22 ARG A 445 -14.326 -4.497 -4.028 1.00 20.00 H new ATOM 654 N ILE A 446 -7.721 -10.684 -2.782 1.00 20.00 N ATOM 655 CA ILE A 446 -6.400 -11.001 -3.369 1.00 20.00 C ATOM 656 C ILE A 446 -6.219 -10.327 -4.742 1.00 20.00 C ATOM 657 O ILE A 446 -5.118 -9.904 -5.093 1.00 20.00 O ATOM 658 CB ILE A 446 -6.172 -12.534 -3.395 1.00 20.00 C ATOM 659 CG1 ILE A 446 -6.006 -13.116 -1.974 1.00 20.00 C ATOM 660 CG2 ILE A 446 -4.983 -12.939 -4.276 1.00 20.00 C ATOM 661 CD1 ILE A 446 -4.810 -12.575 -1.179 1.00 20.00 C ATOM 0 H ILE A 446 -8.329 -11.496 -2.677 1.00 20.00 H new ATOM 0 HA ILE A 446 -5.620 -10.582 -2.733 1.00 20.00 H new ATOM 0 HB ILE A 446 -7.072 -12.960 -3.839 1.00 20.00 H new ATOM 0 HG12 ILE A 446 -6.917 -12.917 -1.409 1.00 20.00 H new ATOM 0 HG13 ILE A 446 -5.910 -14.199 -2.052 1.00 20.00 H new ATOM 0 HG21 ILE A 446 -4.869 -14.023 -4.258 1.00 20.00 H new ATOM 0 HG22 ILE A 446 -5.160 -12.610 -5.300 1.00 20.00 H new ATOM 0 HG23 ILE A 446 -4.074 -12.472 -3.897 1.00 20.00 H new ATOM 0 HD11 ILE A 446 -4.783 -13.046 -0.197 1.00 20.00 H new ATOM 0 HD12 ILE A 446 -3.887 -12.798 -1.714 1.00 20.00 H new ATOM 0 HD13 ILE A 446 -4.910 -11.496 -1.061 1.00 20.00 H new ATOM 673 N ASP A 447 -7.313 -10.150 -5.480 1.00 20.00 N ATOM 674 CA ASP A 447 -7.346 -9.549 -6.816 1.00 20.00 C ATOM 675 C ASP A 447 -7.381 -8.000 -6.823 1.00 20.00 C ATOM 676 O ASP A 447 -7.524 -7.411 -7.897 1.00 20.00 O ATOM 677 CB ASP A 447 -8.532 -10.170 -7.577 1.00 20.00 C ATOM 678 CG ASP A 447 -8.491 -9.927 -9.098 1.00 20.00 C ATOM 679 OD1 ASP A 447 -7.468 -10.270 -9.741 1.00 20.00 O ATOM 680 OD2 ASP A 447 -9.509 -9.463 -9.668 1.00 20.00 O ATOM 0 H ASP A 447 -8.237 -10.431 -5.153 1.00 20.00 H new ATOM 0 HA ASP A 447 -6.407 -9.776 -7.320 1.00 20.00 H new ATOM 0 HB2 ASP A 447 -8.549 -11.244 -7.390 1.00 20.00 H new ATOM 0 HB3 ASP A 447 -9.461 -9.762 -7.178 1.00 20.00 H new ATOM 685 N CYS A 448 -7.264 -7.305 -5.676 1.00 20.00 N ATOM 686 CA CYS A 448 -7.229 -5.852 -5.647 1.00 20.00 C ATOM 687 C CYS A 448 -5.941 -5.304 -6.284 1.00 20.00 C ATOM 688 O CYS A 448 -4.858 -5.884 -6.154 1.00 20.00 O ATOM 689 CB CYS A 448 -7.369 -5.423 -4.216 1.00 20.00 C ATOM 690 SG CYS A 448 -8.929 -4.590 -3.782 1.00 20.00 S ATOM 0 H CYS A 448 -7.192 -7.741 -4.757 1.00 20.00 H new ATOM 0 HA CYS A 448 -8.049 -5.445 -6.239 1.00 20.00 H new ATOM 0 HB2 CYS A 448 -7.261 -6.303 -3.581 1.00 20.00 H new ATOM 0 HB3 CYS A 448 -6.543 -4.753 -3.976 1.00 20.00 H new ATOM 0 HG CYS A 448 -8.745 -3.842 -2.735 1.00 20.00 H new ATOM 695 N LEU A 449 -6.066 -4.132 -6.903 1.00 20.00 N ATOM 696 CA LEU A 449 -4.962 -3.385 -7.509 1.00 20.00 C ATOM 697 C LEU A 449 -4.575 -2.155 -6.672 1.00 20.00 C ATOM 698 O LEU A 449 -3.673 -1.407 -7.048 1.00 20.00 O ATOM 699 CB LEU A 449 -5.324 -3.019 -8.961 1.00 20.00 C ATOM 700 CG LEU A 449 -5.674 -4.242 -9.839 1.00 20.00 C ATOM 701 CD1 LEU A 449 -7.182 -4.512 -9.912 1.00 20.00 C ATOM 702 CD2 LEU A 449 -5.179 -4.028 -11.270 1.00 20.00 C ATOM 0 H LEU A 449 -6.965 -3.660 -7.001 1.00 20.00 H new ATOM 0 HA LEU A 449 -4.076 -4.019 -7.528 1.00 20.00 H new ATOM 0 HB2 LEU A 449 -6.171 -2.333 -8.953 1.00 20.00 H new ATOM 0 HB3 LEU A 449 -4.487 -2.486 -9.412 1.00 20.00 H new ATOM 0 HG LEU A 449 -5.185 -5.095 -9.370 1.00 20.00 H new ATOM 0 HD11 LEU A 449 -7.366 -5.382 -10.542 1.00 20.00 H new ATOM 0 HD12 LEU A 449 -7.567 -4.702 -8.910 1.00 20.00 H new ATOM 0 HD13 LEU A 449 -7.687 -3.644 -10.336 1.00 20.00 H new ATOM 0 HD21 LEU A 449 -5.433 -4.897 -11.877 1.00 20.00 H new ATOM 0 HD22 LEU A 449 -5.654 -3.141 -11.690 1.00 20.00 H new ATOM 0 HD23 LEU A 449 -4.097 -3.893 -11.264 1.00 20.00 H new ATOM 714 N PHE A 450 -5.245 -1.932 -5.542 1.00 20.00 N ATOM 715 CA PHE A 450 -5.120 -0.729 -4.727 1.00 20.00 C ATOM 716 C PHE A 450 -3.997 -0.856 -3.696 1.00 20.00 C ATOM 717 O PHE A 450 -3.531 -1.952 -3.364 1.00 20.00 O ATOM 718 CB PHE A 450 -6.473 -0.469 -4.041 1.00 20.00 C ATOM 719 CG PHE A 450 -7.641 -0.169 -4.968 1.00 20.00 C ATOM 720 CD1 PHE A 450 -7.493 0.688 -6.079 1.00 20.00 C ATOM 721 CD2 PHE A 450 -8.902 -0.729 -4.695 1.00 20.00 C ATOM 722 CE1 PHE A 450 -8.591 0.963 -6.915 1.00 20.00 C ATOM 723 CE2 PHE A 450 -10.002 -0.447 -5.523 1.00 20.00 C ATOM 724 CZ PHE A 450 -9.847 0.396 -6.637 1.00 20.00 C ATOM 0 H PHE A 450 -5.909 -2.605 -5.159 1.00 20.00 H new ATOM 0 HA PHE A 450 -4.857 0.114 -5.367 1.00 20.00 H new ATOM 0 HB2 PHE A 450 -6.727 -1.342 -3.439 1.00 20.00 H new ATOM 0 HB3 PHE A 450 -6.355 0.369 -3.354 1.00 20.00 H new ATOM 0 HD1 PHE A 450 -6.533 1.135 -6.289 1.00 20.00 H new ATOM 0 HD2 PHE A 450 -9.026 -1.381 -3.843 1.00 20.00 H new ATOM 0 HE1 PHE A 450 -8.469 1.610 -7.771 1.00 20.00 H new ATOM 0 HE2 PHE A 450 -10.967 -0.878 -5.303 1.00 20.00 H new ATOM 0 HZ PHE A 450 -10.690 0.608 -7.278 1.00 20.00 H new ATOM 734 N GLY A 451 -3.610 0.287 -3.135 1.00 20.00 N ATOM 735 CA GLY A 451 -2.892 0.333 -1.869 1.00 20.00 C ATOM 736 C GLY A 451 -3.733 -0.301 -0.758 1.00 20.00 C ATOM 737 O GLY A 451 -4.898 0.047 -0.561 1.00 20.00 O ATOM 0 H GLY A 451 -3.786 1.204 -3.546 1.00 20.00 H new ATOM 0 HA2 GLY A 451 -1.943 -0.195 -1.962 1.00 20.00 H new ATOM 0 HA3 GLY A 451 -2.658 1.366 -1.613 1.00 20.00 H new ATOM 741 N HIS A 452 -3.128 -1.218 -0.021 1.00 20.00 N ATOM 742 CA HIS A 452 -3.616 -1.808 1.216 1.00 20.00 C ATOM 743 C HIS A 452 -2.527 -1.510 2.274 1.00 20.00 C ATOM 744 O HIS A 452 -1.399 -1.983 2.110 1.00 20.00 O ATOM 745 CB HIS A 452 -3.858 -3.317 1.000 1.00 20.00 C ATOM 746 CG HIS A 452 -4.850 -3.692 -0.090 1.00 20.00 C ATOM 747 ND1 HIS A 452 -4.693 -4.676 -1.047 1.00 20.00 N ATOM 748 CD2 HIS A 452 -6.146 -3.276 -0.179 1.00 20.00 C ATOM 749 CE1 HIS A 452 -5.867 -4.888 -1.679 1.00 20.00 C ATOM 750 NE2 HIS A 452 -6.779 -4.033 -1.175 1.00 20.00 N ATOM 0 H HIS A 452 -2.220 -1.596 -0.290 1.00 20.00 H new ATOM 0 HA HIS A 452 -4.570 -1.398 1.547 1.00 20.00 H new ATOM 0 HB2 HIS A 452 -2.902 -3.787 0.769 1.00 20.00 H new ATOM 0 HB3 HIS A 452 -4.205 -3.746 1.940 1.00 20.00 H new ATOM 0 HD1 HIS A 452 -3.822 -5.168 -1.246 1.00 20.00 H new ATOM 0 HD2 HIS A 452 -6.605 -2.499 0.414 1.00 20.00 H new ATOM 0 HE1 HIS A 452 -6.045 -5.618 -2.455 1.00 20.00 H new ATOM 758 N PRO A 453 -2.787 -0.668 3.296 1.00 20.00 N ATOM 759 CA PRO A 453 -1.745 -0.075 4.144 1.00 20.00 C ATOM 760 C PRO A 453 -0.903 -1.109 4.911 1.00 20.00 C ATOM 761 O PRO A 453 -1.368 -2.200 5.246 1.00 20.00 O ATOM 762 CB PRO A 453 -2.464 0.913 5.072 1.00 20.00 C ATOM 763 CG PRO A 453 -3.912 0.423 5.071 1.00 20.00 C ATOM 764 CD PRO A 453 -4.082 -0.121 3.657 1.00 20.00 C ATOM 0 HA PRO A 453 -1.004 0.432 3.526 1.00 20.00 H new ATOM 0 HB2 PRO A 453 -2.038 0.902 6.075 1.00 20.00 H new ATOM 0 HB3 PRO A 453 -2.387 1.936 4.704 1.00 20.00 H new ATOM 0 HG2 PRO A 453 -4.079 -0.347 5.824 1.00 20.00 H new ATOM 0 HG3 PRO A 453 -4.613 1.231 5.281 1.00 20.00 H new ATOM 0 HD2 PRO A 453 -4.856 -0.888 3.621 1.00 20.00 H new ATOM 0 HD3 PRO A 453 -4.382 0.667 2.966 1.00 20.00 H new ATOM 772 N ILE A 454 0.352 -0.744 5.200 1.00 20.00 N ATOM 773 CA ILE A 454 1.394 -1.633 5.736 1.00 20.00 C ATOM 774 C ILE A 454 1.763 -1.191 7.149 1.00 20.00 C ATOM 775 O ILE A 454 1.851 0.006 7.413 1.00 20.00 O ATOM 776 CB ILE A 454 2.637 -1.637 4.815 1.00 20.00 C ATOM 777 CG1 ILE A 454 2.306 -1.933 3.336 1.00 20.00 C ATOM 778 CG2 ILE A 454 3.697 -2.631 5.320 1.00 20.00 C ATOM 779 CD1 ILE A 454 1.554 -3.237 3.096 1.00 20.00 C ATOM 0 H ILE A 454 0.683 0.211 5.063 1.00 20.00 H new ATOM 0 HA ILE A 454 1.009 -2.652 5.775 1.00 20.00 H new ATOM 0 HB ILE A 454 3.036 -0.623 4.856 1.00 20.00 H new ATOM 0 HG12 ILE A 454 1.712 -1.110 2.940 1.00 20.00 H new ATOM 0 HG13 ILE A 454 3.236 -1.957 2.768 1.00 20.00 H new ATOM 0 HG21 ILE A 454 4.559 -2.613 4.654 1.00 20.00 H new ATOM 0 HG22 ILE A 454 4.009 -2.350 6.326 1.00 20.00 H new ATOM 0 HG23 ILE A 454 3.274 -3.635 5.339 1.00 20.00 H new ATOM 0 HD11 ILE A 454 1.367 -3.358 2.029 1.00 20.00 H new ATOM 0 HD12 ILE A 454 2.152 -4.074 3.456 1.00 20.00 H new ATOM 0 HD13 ILE A 454 0.604 -3.213 3.631 1.00 20.00 H new ATOM 791 N ASN A 455 1.975 -2.142 8.059 1.00 20.00 N ATOM 792 CA ASN A 455 2.272 -1.890 9.474 1.00 20.00 C ATOM 793 C ASN A 455 3.734 -1.423 9.647 1.00 20.00 C ATOM 794 O ASN A 455 4.591 -2.145 10.162 1.00 20.00 O ATOM 795 CB ASN A 455 1.904 -3.143 10.297 1.00 20.00 C ATOM 796 CG ASN A 455 0.424 -3.513 10.263 1.00 20.00 C ATOM 797 OD1 ASN A 455 -0.400 -2.922 9.576 1.00 20.00 O ATOM 798 ND2 ASN A 455 0.035 -4.522 11.007 1.00 20.00 N ATOM 0 H ASN A 455 1.945 -3.135 7.829 1.00 20.00 H new ATOM 0 HA ASN A 455 1.664 -1.071 9.858 1.00 20.00 H new ATOM 0 HB2 ASN A 455 2.485 -3.988 9.927 1.00 20.00 H new ATOM 0 HB3 ASN A 455 2.201 -2.981 11.333 1.00 20.00 H new ATOM 0 HD21 ASN A 455 -0.945 -4.806 11.009 1.00 20.00 H new ATOM 0 HD22 ASN A 455 0.712 -5.022 11.583 1.00 20.00 H new ATOM 805 N GLU A 456 4.029 -0.222 9.147 1.00 20.00 N ATOM 806 CA GLU A 456 5.356 0.380 9.013 1.00 20.00 C ATOM 807 C GLU A 456 5.235 1.913 8.994 1.00 20.00 C ATOM 808 O GLU A 456 4.217 2.449 8.557 1.00 20.00 O ATOM 809 CB GLU A 456 5.973 -0.092 7.683 1.00 20.00 C ATOM 810 CG GLU A 456 7.445 0.299 7.470 1.00 20.00 C ATOM 811 CD GLU A 456 8.352 -0.127 8.641 1.00 20.00 C ATOM 812 OE1 GLU A 456 8.460 0.640 9.629 1.00 20.00 O ATOM 813 OE2 GLU A 456 8.958 -1.225 8.582 1.00 20.00 O ATOM 0 H GLU A 456 3.297 0.398 8.801 1.00 20.00 H new ATOM 0 HA GLU A 456 5.983 0.081 9.853 1.00 20.00 H new ATOM 0 HB2 GLU A 456 5.890 -1.177 7.627 1.00 20.00 H new ATOM 0 HB3 GLU A 456 5.383 0.315 6.862 1.00 20.00 H new ATOM 0 HG2 GLU A 456 7.808 -0.159 6.550 1.00 20.00 H new ATOM 0 HG3 GLU A 456 7.514 1.379 7.337 1.00 20.00 H new ATOM 820 N ASP A 457 6.281 2.619 9.418 1.00 20.00 N ATOM 821 CA ASP A 457 6.361 4.084 9.360 1.00 20.00 C ATOM 822 C ASP A 457 7.023 4.570 8.055 1.00 20.00 C ATOM 823 O ASP A 457 8.156 4.189 7.744 1.00 20.00 O ATOM 824 CB ASP A 457 7.098 4.632 10.590 1.00 20.00 C ATOM 825 CG ASP A 457 6.284 4.448 11.882 1.00 20.00 C ATOM 826 OD1 ASP A 457 5.271 5.167 12.065 1.00 20.00 O ATOM 827 OD2 ASP A 457 6.667 3.611 12.735 1.00 20.00 O ATOM 0 H ASP A 457 7.113 2.186 9.819 1.00 20.00 H new ATOM 0 HA ASP A 457 5.342 4.472 9.367 1.00 20.00 H new ATOM 0 HB2 ASP A 457 8.058 4.126 10.692 1.00 20.00 H new ATOM 0 HB3 ASP A 457 7.310 5.691 10.443 1.00 20.00 H new ATOM 832 N CYS A 458 6.327 5.435 7.306 1.00 20.00 N ATOM 833 CA CYS A 458 6.816 6.016 6.053 1.00 20.00 C ATOM 834 C CYS A 458 8.146 6.782 6.195 1.00 20.00 C ATOM 835 O CYS A 458 8.421 7.445 7.202 1.00 20.00 O ATOM 836 CB CYS A 458 5.711 6.892 5.448 1.00 20.00 C ATOM 837 SG CYS A 458 6.167 7.424 3.751 1.00 20.00 S ATOM 0 H CYS A 458 5.392 5.755 7.560 1.00 20.00 H new ATOM 0 HA CYS A 458 7.050 5.194 5.376 1.00 20.00 H new ATOM 0 HB2 CYS A 458 4.773 6.337 5.422 1.00 20.00 H new ATOM 0 HB3 CYS A 458 5.547 7.766 6.078 1.00 20.00 H new ATOM 0 HG CYS A 458 5.102 7.823 3.120 1.00 20.00 H new ATOM 842 N ARG A 459 8.943 6.731 5.121 1.00 20.00 N ATOM 843 CA ARG A 459 10.213 7.456 4.948 1.00 20.00 C ATOM 844 C ARG A 459 10.039 8.945 4.604 1.00 20.00 C ATOM 845 O ARG A 459 11.035 9.668 4.531 1.00 20.00 O ATOM 846 CB ARG A 459 11.103 6.705 3.937 1.00 20.00 C ATOM 847 CG ARG A 459 10.537 6.691 2.507 1.00 20.00 C ATOM 848 CD ARG A 459 11.458 5.918 1.559 1.00 20.00 C ATOM 849 NE ARG A 459 10.927 5.913 0.181 1.00 20.00 N ATOM 850 CZ ARG A 459 11.542 5.464 -0.900 1.00 20.00 C ATOM 851 NH1 ARG A 459 12.737 4.943 -0.854 1.00 20.00 N ATOM 852 NH2 ARG A 459 10.962 5.531 -2.064 1.00 20.00 N ATOM 0 H ARG A 459 8.712 6.157 4.310 1.00 20.00 H new ATOM 0 HA ARG A 459 10.718 7.470 5.914 1.00 20.00 H new ATOM 0 HB2 ARG A 459 12.091 7.166 3.923 1.00 20.00 H new ATOM 0 HB3 ARG A 459 11.236 5.678 4.276 1.00 20.00 H new ATOM 0 HG2 ARG A 459 9.547 6.236 2.509 1.00 20.00 H new ATOM 0 HG3 ARG A 459 10.417 7.714 2.150 1.00 20.00 H new ATOM 0 HD2 ARG A 459 12.451 6.367 1.567 1.00 20.00 H new ATOM 0 HD3 ARG A 459 11.569 4.893 1.912 1.00 20.00 H new ATOM 0 HE ARG A 459 9.990 6.295 0.050 1.00 20.00 H new ATOM 0 HH11 ARG A 459 13.228 4.872 0.037 1.00 20.00 H new ATOM 0 HH12 ARG A 459 13.180 4.607 -1.709 1.00 20.00 H new ATOM 0 HH21 ARG A 459 10.028 5.932 -2.146 1.00 20.00 H new ATOM 0 HH22 ARG A 459 11.442 5.183 -2.894 1.00 20.00 H new ATOM 866 N PHE A 460 8.798 9.413 4.429 1.00 20.00 N ATOM 867 CA PHE A 460 8.440 10.831 4.265 1.00 20.00 C ATOM 868 C PHE A 460 7.372 11.308 5.268 1.00 20.00 C ATOM 869 O PHE A 460 7.352 12.493 5.615 1.00 20.00 O ATOM 870 CB PHE A 460 7.970 11.073 2.823 1.00 20.00 C ATOM 871 CG PHE A 460 9.084 11.216 1.810 1.00 20.00 C ATOM 872 CD1 PHE A 460 9.725 12.459 1.660 1.00 20.00 C ATOM 873 CD2 PHE A 460 9.465 10.126 1.004 1.00 20.00 C ATOM 874 CE1 PHE A 460 10.765 12.607 0.725 1.00 20.00 C ATOM 875 CE2 PHE A 460 10.507 10.273 0.070 1.00 20.00 C ATOM 876 CZ PHE A 460 11.160 11.512 -0.067 1.00 20.00 C ATOM 0 H PHE A 460 7.986 8.796 4.396 1.00 20.00 H new ATOM 0 HA PHE A 460 9.334 11.418 4.474 1.00 20.00 H new ATOM 0 HB2 PHE A 460 7.327 10.246 2.521 1.00 20.00 H new ATOM 0 HB3 PHE A 460 7.359 11.976 2.801 1.00 20.00 H new ATOM 0 HD1 PHE A 460 9.418 13.301 2.263 1.00 20.00 H new ATOM 0 HD2 PHE A 460 8.958 9.178 1.103 1.00 20.00 H new ATOM 0 HE1 PHE A 460 11.260 13.560 0.615 1.00 20.00 H new ATOM 0 HE2 PHE A 460 10.806 9.435 -0.542 1.00 20.00 H new ATOM 0 HZ PHE A 460 11.964 11.623 -0.780 1.00 20.00 H new ATOM 886 N GLY A 461 6.493 10.426 5.758 1.00 20.00 N ATOM 887 CA GLY A 461 5.521 10.727 6.812 1.00 20.00 C ATOM 888 C GLY A 461 4.519 11.803 6.393 1.00 20.00 C ATOM 889 O GLY A 461 3.727 11.608 5.474 1.00 20.00 O ATOM 0 H GLY A 461 6.438 9.463 5.425 1.00 20.00 H new ATOM 0 HA2 GLY A 461 4.983 9.817 7.076 1.00 20.00 H new ATOM 0 HA3 GLY A 461 6.050 11.056 7.707 1.00 20.00 H new ATOM 893 N VAL A 462 4.576 12.955 7.060 1.00 20.00 N ATOM 894 CA VAL A 462 3.717 14.130 6.782 1.00 20.00 C ATOM 895 C VAL A 462 4.173 14.970 5.578 1.00 20.00 C ATOM 896 O VAL A 462 3.445 15.859 5.137 1.00 20.00 O ATOM 897 CB VAL A 462 3.540 15.024 8.027 1.00 20.00 C ATOM 898 CG1 VAL A 462 2.882 14.244 9.169 1.00 20.00 C ATOM 899 CG2 VAL A 462 4.862 15.618 8.532 1.00 20.00 C ATOM 0 H VAL A 462 5.230 13.112 7.826 1.00 20.00 H new ATOM 0 HA VAL A 462 2.749 13.707 6.513 1.00 20.00 H new ATOM 0 HB VAL A 462 2.899 15.847 7.713 1.00 20.00 H new ATOM 0 HG11 VAL A 462 2.768 14.895 10.036 1.00 20.00 H new ATOM 0 HG12 VAL A 462 1.902 13.889 8.850 1.00 20.00 H new ATOM 0 HG13 VAL A 462 3.507 13.392 9.435 1.00 20.00 H new ATOM 0 HG21 VAL A 462 4.671 16.237 9.409 1.00 20.00 H new ATOM 0 HG22 VAL A 462 5.545 14.811 8.799 1.00 20.00 H new ATOM 0 HG23 VAL A 462 5.310 16.228 7.748 1.00 20.00 H new ATOM 909 N ASN A 463 5.359 14.683 5.028 1.00 20.00 N ATOM 910 CA ASN A 463 5.897 15.320 3.815 1.00 20.00 C ATOM 911 C ASN A 463 5.462 14.585 2.527 1.00 20.00 C ATOM 912 O ASN A 463 5.490 15.162 1.435 1.00 20.00 O ATOM 913 CB ASN A 463 7.434 15.382 3.912 1.00 20.00 C ATOM 914 CG ASN A 463 7.941 16.026 5.192 1.00 20.00 C ATOM 915 OD1 ASN A 463 8.063 17.237 5.303 1.00 20.00 O ATOM 916 ND2 ASN A 463 8.244 15.237 6.201 1.00 20.00 N ATOM 0 H ASN A 463 5.989 13.984 5.422 1.00 20.00 H new ATOM 0 HA ASN A 463 5.490 16.329 3.753 1.00 20.00 H new ATOM 0 HB2 ASN A 463 7.835 14.371 3.841 1.00 20.00 H new ATOM 0 HB3 ASN A 463 7.821 15.938 3.058 1.00 20.00 H new ATOM 0 HD21 ASN A 463 8.581 15.636 7.077 1.00 20.00 H new ATOM 0 HD22 ASN A 463 8.142 14.227 6.107 1.00 20.00 H new ATOM 923 N CYS A 464 5.078 13.311 2.673 1.00 20.00 N ATOM 924 CA CYS A 464 4.652 12.382 1.632 1.00 20.00 C ATOM 925 C CYS A 464 3.371 12.842 0.912 1.00 20.00 C ATOM 926 O CYS A 464 2.447 13.372 1.539 1.00 20.00 O ATOM 927 CB CYS A 464 4.434 11.032 2.323 1.00 20.00 C ATOM 928 SG CYS A 464 4.485 9.631 1.150 1.00 20.00 S ATOM 0 H CYS A 464 5.057 12.874 3.595 1.00 20.00 H new ATOM 0 HA CYS A 464 5.413 12.321 0.854 1.00 20.00 H new ATOM 0 HB2 CYS A 464 5.199 10.890 3.087 1.00 20.00 H new ATOM 0 HB3 CYS A 464 3.471 11.040 2.834 1.00 20.00 H new ATOM 0 HG CYS A 464 3.872 8.608 1.668 1.00 20.00 H new ATOM 933 N LYS A 465 3.320 12.619 -0.406 1.00 20.00 N ATOM 934 CA LYS A 465 2.240 13.073 -1.308 1.00 20.00 C ATOM 935 C LYS A 465 1.545 11.922 -2.053 1.00 20.00 C ATOM 936 O LYS A 465 0.628 12.162 -2.839 1.00 20.00 O ATOM 937 CB LYS A 465 2.795 14.152 -2.262 1.00 20.00 C ATOM 938 CG LYS A 465 3.337 15.363 -1.482 1.00 20.00 C ATOM 939 CD LYS A 465 3.981 16.418 -2.390 1.00 20.00 C ATOM 940 CE LYS A 465 4.578 17.570 -1.566 1.00 20.00 C ATOM 941 NZ LYS A 465 5.732 17.138 -0.729 1.00 20.00 N ATOM 0 H LYS A 465 4.050 12.102 -0.896 1.00 20.00 H new ATOM 0 HA LYS A 465 1.451 13.514 -0.699 1.00 20.00 H new ATOM 0 HB2 LYS A 465 3.590 13.725 -2.874 1.00 20.00 H new ATOM 0 HB3 LYS A 465 2.009 14.478 -2.943 1.00 20.00 H new ATOM 0 HG2 LYS A 465 2.523 15.822 -0.921 1.00 20.00 H new ATOM 0 HG3 LYS A 465 4.072 15.020 -0.754 1.00 20.00 H new ATOM 0 HD2 LYS A 465 4.763 15.955 -2.992 1.00 20.00 H new ATOM 0 HD3 LYS A 465 3.236 16.810 -3.082 1.00 20.00 H new ATOM 0 HE2 LYS A 465 4.900 18.365 -2.239 1.00 20.00 H new ATOM 0 HE3 LYS A 465 3.805 17.990 -0.923 1.00 20.00 H new ATOM 0 HZ1 LYS A 465 6.181 17.972 -0.300 1.00 20.00 H new ATOM 0 HZ2 LYS A 465 5.397 16.501 0.021 1.00 20.00 H new ATOM 0 HZ3 LYS A 465 6.424 16.639 -1.323 1.00 20.00 H new ATOM 955 N ASN A 466 1.959 10.678 -1.805 1.00 20.00 N ATOM 956 CA ASN A 466 1.402 9.471 -2.419 1.00 20.00 C ATOM 957 C ASN A 466 0.335 8.830 -1.505 1.00 20.00 C ATOM 958 O ASN A 466 0.623 8.409 -0.384 1.00 20.00 O ATOM 959 CB ASN A 466 2.569 8.535 -2.787 1.00 20.00 C ATOM 960 CG ASN A 466 2.135 7.220 -3.422 1.00 20.00 C ATOM 961 OD1 ASN A 466 0.963 6.897 -3.528 1.00 20.00 O ATOM 962 ND2 ASN A 466 3.069 6.412 -3.865 1.00 20.00 N ATOM 0 H ASN A 466 2.715 10.476 -1.151 1.00 20.00 H new ATOM 0 HA ASN A 466 0.869 9.708 -3.340 1.00 20.00 H new ATOM 0 HB2 ASN A 466 3.235 9.056 -3.475 1.00 20.00 H new ATOM 0 HB3 ASN A 466 3.145 8.319 -1.887 1.00 20.00 H new ATOM 0 HD21 ASN A 466 2.813 5.523 -4.294 1.00 20.00 H new ATOM 0 HD22 ASN A 466 4.051 6.673 -3.781 1.00 20.00 H new ATOM 969 N ILE A 467 -0.905 8.745 -1.998 1.00 20.00 N ATOM 970 CA ILE A 467 -2.073 8.236 -1.257 1.00 20.00 C ATOM 971 C ILE A 467 -1.992 6.726 -1.005 1.00 20.00 C ATOM 972 O ILE A 467 -2.374 6.231 0.053 1.00 20.00 O ATOM 973 CB ILE A 467 -3.393 8.512 -2.021 1.00 20.00 C ATOM 974 CG1 ILE A 467 -3.462 9.841 -2.812 1.00 20.00 C ATOM 975 CG2 ILE A 467 -4.577 8.428 -1.040 1.00 20.00 C ATOM 976 CD1 ILE A 467 -4.500 9.743 -3.932 1.00 20.00 C ATOM 0 H ILE A 467 -1.134 9.035 -2.949 1.00 20.00 H new ATOM 0 HA ILE A 467 -2.066 8.765 -0.304 1.00 20.00 H new ATOM 0 HB ILE A 467 -3.440 7.738 -2.787 1.00 20.00 H new ATOM 0 HG12 ILE A 467 -3.720 10.659 -2.139 1.00 20.00 H new ATOM 0 HG13 ILE A 467 -2.484 10.072 -3.234 1.00 20.00 H new ATOM 0 HG21 ILE A 467 -5.507 8.622 -1.575 1.00 20.00 H new ATOM 0 HG22 ILE A 467 -4.613 7.432 -0.598 1.00 20.00 H new ATOM 0 HG23 ILE A 467 -4.450 9.170 -0.252 1.00 20.00 H new ATOM 0 HD11 ILE A 467 -4.536 10.686 -4.478 1.00 20.00 H new ATOM 0 HD12 ILE A 467 -4.225 8.939 -4.614 1.00 20.00 H new ATOM 0 HD13 ILE A 467 -5.480 9.535 -3.503 1.00 20.00 H new ATOM 988 N TYR A 468 -1.505 5.991 -2.000 1.00 20.00 N ATOM 989 CA TYR A 468 -1.494 4.526 -2.117 1.00 20.00 C ATOM 990 C TYR A 468 -0.111 3.943 -1.769 1.00 20.00 C ATOM 991 O TYR A 468 0.231 2.815 -2.130 1.00 20.00 O ATOM 992 CB TYR A 468 -2.000 4.148 -3.523 1.00 20.00 C ATOM 993 CG TYR A 468 -1.333 4.893 -4.671 1.00 20.00 C ATOM 994 CD1 TYR A 468 -1.813 6.162 -5.053 1.00 20.00 C ATOM 995 CD2 TYR A 468 -0.228 4.334 -5.342 1.00 20.00 C ATOM 996 CE1 TYR A 468 -1.187 6.886 -6.086 1.00 20.00 C ATOM 997 CE2 TYR A 468 0.400 5.049 -6.383 1.00 20.00 C ATOM 998 CZ TYR A 468 -0.071 6.330 -6.751 1.00 20.00 C ATOM 999 OH TYR A 468 0.539 7.008 -7.761 1.00 20.00 O ATOM 0 H TYR A 468 -1.073 6.433 -2.811 1.00 20.00 H new ATOM 0 HA TYR A 468 -2.169 4.078 -1.388 1.00 20.00 H new ATOM 0 HB2 TYR A 468 -1.852 3.078 -3.670 1.00 20.00 H new ATOM 0 HB3 TYR A 468 -3.074 4.330 -3.567 1.00 20.00 H new ATOM 0 HD1 TYR A 468 -2.670 6.583 -4.548 1.00 20.00 H new ATOM 0 HD2 TYR A 468 0.138 3.358 -5.059 1.00 20.00 H new ATOM 0 HE1 TYR A 468 -1.558 7.860 -6.368 1.00 20.00 H new ATOM 0 HE2 TYR A 468 1.243 4.616 -6.901 1.00 20.00 H new ATOM 0 HH TYR A 468 1.289 6.479 -8.104 1.00 20.00 H new ATOM 1009 N CYS A 469 0.671 4.747 -1.051 1.00 20.00 N ATOM 1010 CA CYS A 469 2.002 4.470 -0.537 1.00 20.00 C ATOM 1011 C CYS A 469 1.991 3.310 0.482 1.00 20.00 C ATOM 1012 O CYS A 469 1.020 3.092 1.216 1.00 20.00 O ATOM 1013 CB CYS A 469 2.467 5.811 0.028 1.00 20.00 C ATOM 1014 SG CYS A 469 4.078 5.768 0.888 1.00 20.00 S ATOM 0 H CYS A 469 0.360 5.684 -0.795 1.00 20.00 H new ATOM 0 HA CYS A 469 2.697 4.114 -1.297 1.00 20.00 H new ATOM 0 HB2 CYS A 469 2.527 6.531 -0.788 1.00 20.00 H new ATOM 0 HB3 CYS A 469 1.711 6.178 0.722 1.00 20.00 H new ATOM 0 HG CYS A 469 3.989 6.421 2.009 1.00 20.00 H new ATOM 1019 N LEU A 470 3.078 2.539 0.494 1.00 20.00 N ATOM 1020 CA LEU A 470 3.167 1.203 1.093 1.00 20.00 C ATOM 1021 C LEU A 470 3.807 1.218 2.492 1.00 20.00 C ATOM 1022 O LEU A 470 4.510 0.290 2.887 1.00 20.00 O ATOM 1023 CB LEU A 470 3.820 0.245 0.077 1.00 20.00 C ATOM 1024 CG LEU A 470 3.075 0.199 -1.273 1.00 20.00 C ATOM 1025 CD1 LEU A 470 3.801 -0.713 -2.258 1.00 20.00 C ATOM 1026 CD2 LEU A 470 1.641 -0.303 -1.116 1.00 20.00 C ATOM 0 H LEU A 470 3.957 2.838 0.071 1.00 20.00 H new ATOM 0 HA LEU A 470 2.167 0.819 1.296 1.00 20.00 H new ATOM 0 HB2 LEU A 470 4.851 0.553 -0.094 1.00 20.00 H new ATOM 0 HB3 LEU A 470 3.853 -0.758 0.502 1.00 20.00 H new ATOM 0 HG LEU A 470 3.052 1.221 -1.652 1.00 20.00 H new ATOM 0 HD11 LEU A 470 3.259 -0.732 -3.204 1.00 20.00 H new ATOM 0 HD12 LEU A 470 4.811 -0.338 -2.425 1.00 20.00 H new ATOM 0 HD13 LEU A 470 3.852 -1.722 -1.849 1.00 20.00 H new ATOM 0 HD21 LEU A 470 1.153 -0.320 -2.090 1.00 20.00 H new ATOM 0 HD22 LEU A 470 1.652 -1.310 -0.698 1.00 20.00 H new ATOM 0 HD23 LEU A 470 1.094 0.362 -0.447 1.00 20.00 H new ATOM 1038 N PHE A 471 3.514 2.286 3.235 1.00 20.00 N ATOM 1039 CA PHE A 471 3.819 2.532 4.644 1.00 20.00 C ATOM 1040 C PHE A 471 2.721 3.453 5.222 1.00 20.00 C ATOM 1041 O PHE A 471 2.169 4.285 4.495 1.00 20.00 O ATOM 1042 CB PHE A 471 5.183 3.229 4.794 1.00 20.00 C ATOM 1043 CG PHE A 471 6.372 2.705 3.997 1.00 20.00 C ATOM 1044 CD1 PHE A 471 6.867 1.404 4.204 1.00 20.00 C ATOM 1045 CD2 PHE A 471 7.020 3.546 3.069 1.00 20.00 C ATOM 1046 CE1 PHE A 471 7.990 0.944 3.493 1.00 20.00 C ATOM 1047 CE2 PHE A 471 8.146 3.091 2.357 1.00 20.00 C ATOM 1048 CZ PHE A 471 8.633 1.789 2.571 1.00 20.00 C ATOM 0 H PHE A 471 3.010 3.074 2.827 1.00 20.00 H new ATOM 0 HA PHE A 471 3.854 1.581 5.175 1.00 20.00 H new ATOM 0 HB2 PHE A 471 5.047 4.278 4.531 1.00 20.00 H new ATOM 0 HB3 PHE A 471 5.454 3.197 5.849 1.00 20.00 H new ATOM 0 HD1 PHE A 471 6.380 0.753 4.915 1.00 20.00 H new ATOM 0 HD2 PHE A 471 6.650 4.547 2.903 1.00 20.00 H new ATOM 0 HE1 PHE A 471 8.358 -0.058 3.655 1.00 20.00 H new ATOM 0 HE2 PHE A 471 8.635 3.741 1.647 1.00 20.00 H new ATOM 0 HZ PHE A 471 9.499 1.439 2.028 1.00 20.00 H new ATOM 1058 N ARG A 472 2.402 3.342 6.517 1.00 20.00 N ATOM 1059 CA ARG A 472 1.471 4.253 7.221 1.00 20.00 C ATOM 1060 C ARG A 472 2.124 5.606 7.544 1.00 20.00 C ATOM 1061 O ARG A 472 3.351 5.737 7.548 1.00 20.00 O ATOM 1062 CB ARG A 472 0.881 3.551 8.457 1.00 20.00 C ATOM 1063 CG ARG A 472 -0.101 2.431 8.060 1.00 20.00 C ATOM 1064 CD ARG A 472 -0.287 1.432 9.210 1.00 20.00 C ATOM 1065 NE ARG A 472 -0.924 0.173 8.765 1.00 20.00 N ATOM 1066 CZ ARG A 472 -2.204 -0.142 8.830 1.00 20.00 C ATOM 1067 NH1 ARG A 472 -3.130 0.737 9.088 1.00 20.00 N ATOM 1068 NH2 ARG A 472 -2.574 -1.371 8.635 1.00 20.00 N ATOM 0 H ARG A 472 2.783 2.612 7.118 1.00 20.00 H new ATOM 0 HA ARG A 472 0.641 4.489 6.555 1.00 20.00 H new ATOM 0 HB2 ARG A 472 1.688 3.132 9.058 1.00 20.00 H new ATOM 0 HB3 ARG A 472 0.367 4.282 9.080 1.00 20.00 H new ATOM 0 HG2 ARG A 472 -1.064 2.865 7.791 1.00 20.00 H new ATOM 0 HG3 ARG A 472 0.272 1.911 7.178 1.00 20.00 H new ATOM 0 HD2 ARG A 472 0.683 1.208 9.654 1.00 20.00 H new ATOM 0 HD3 ARG A 472 -0.897 1.889 9.990 1.00 20.00 H new ATOM 0 HE ARG A 472 -0.304 -0.530 8.363 1.00 20.00 H new ATOM 0 HH11 ARG A 472 -2.877 1.712 9.249 1.00 20.00 H new ATOM 0 HH12 ARG A 472 -4.108 0.450 9.129 1.00 20.00 H new ATOM 0 HH21 ARG A 472 -1.877 -2.088 8.433 1.00 20.00 H new ATOM 0 HH22 ARG A 472 -3.562 -1.620 8.684 1.00 20.00 H new ATOM 1082 N HIS A 473 1.296 6.621 7.799 1.00 20.00 N ATOM 1083 CA HIS A 473 1.697 8.031 7.894 1.00 20.00 C ATOM 1084 C HIS A 473 1.207 8.675 9.209 1.00 20.00 C ATOM 1085 O HIS A 473 0.074 8.399 9.623 1.00 20.00 O ATOM 1086 CB HIS A 473 1.129 8.802 6.689 1.00 20.00 C ATOM 1087 CG HIS A 473 1.537 8.259 5.345 1.00 20.00 C ATOM 1088 ND1 HIS A 473 0.788 7.462 4.502 1.00 20.00 N ATOM 1089 CD2 HIS A 473 2.746 8.449 4.745 1.00 20.00 C ATOM 1090 CE1 HIS A 473 1.540 7.158 3.427 1.00 20.00 C ATOM 1091 NE2 HIS A 473 2.741 7.746 3.541 1.00 20.00 N ATOM 0 H HIS A 473 0.297 6.483 7.950 1.00 20.00 H new ATOM 0 HA HIS A 473 2.786 8.078 7.889 1.00 20.00 H new ATOM 0 HB2 HIS A 473 0.041 8.797 6.752 1.00 20.00 H new ATOM 0 HB3 HIS A 473 1.448 9.842 6.757 1.00 20.00 H new ATOM 0 HD1 HIS A 473 -0.171 7.156 4.666 1.00 20.00 H new ATOM 0 HD2 HIS A 473 3.563 9.039 5.133 1.00 20.00 H new ATOM 0 HE1 HIS A 473 1.225 6.537 2.601 1.00 20.00 H new ATOM 1099 N PRO A 474 1.978 9.585 9.844 1.00 20.00 N ATOM 1100 CA PRO A 474 1.535 10.315 11.034 1.00 20.00 C ATOM 1101 C PRO A 474 0.306 11.210 10.762 1.00 20.00 C ATOM 1102 O PRO A 474 0.031 11.538 9.601 1.00 20.00 O ATOM 1103 CB PRO A 474 2.738 11.151 11.493 1.00 20.00 C ATOM 1104 CG PRO A 474 3.941 10.531 10.787 1.00 20.00 C ATOM 1105 CD PRO A 474 3.336 9.980 9.503 1.00 20.00 C ATOM 0 HA PRO A 474 1.211 9.616 11.805 1.00 20.00 H new ATOM 0 HB2 PRO A 474 2.617 12.199 11.220 1.00 20.00 H new ATOM 0 HB3 PRO A 474 2.854 11.115 12.576 1.00 20.00 H new ATOM 0 HG2 PRO A 474 4.715 11.271 10.584 1.00 20.00 H new ATOM 0 HG3 PRO A 474 4.400 9.745 11.387 1.00 20.00 H new ATOM 0 HD2 PRO A 474 3.338 10.733 8.715 1.00 20.00 H new ATOM 0 HD3 PRO A 474 3.910 9.130 9.133 1.00 20.00 H new ATOM 1113 N PRO A 475 -0.442 11.623 11.802 1.00 20.00 N ATOM 1114 CA PRO A 475 -1.548 12.574 11.675 1.00 20.00 C ATOM 1115 C PRO A 475 -1.059 13.988 11.307 1.00 20.00 C ATOM 1116 O PRO A 475 0.107 14.337 11.508 1.00 20.00 O ATOM 1117 CB PRO A 475 -2.260 12.542 13.033 1.00 20.00 C ATOM 1118 CG PRO A 475 -1.132 12.204 14.008 1.00 20.00 C ATOM 1119 CD PRO A 475 -0.253 11.252 13.198 1.00 20.00 C ATOM 0 HA PRO A 475 -2.222 12.300 10.863 1.00 20.00 H new ATOM 0 HB2 PRO A 475 -2.723 13.501 13.268 1.00 20.00 H new ATOM 0 HB3 PRO A 475 -3.051 11.792 13.056 1.00 20.00 H new ATOM 0 HG2 PRO A 475 -0.585 13.095 14.317 1.00 20.00 H new ATOM 0 HG3 PRO A 475 -1.510 11.732 14.915 1.00 20.00 H new ATOM 0 HD2 PRO A 475 0.794 11.345 13.488 1.00 20.00 H new ATOM 0 HD3 PRO A 475 -0.541 10.215 13.369 1.00 20.00 H new ATOM 1127 N GLY A 476 -1.959 14.816 10.768 1.00 20.00 N ATOM 1128 CA GLY A 476 -1.645 16.181 10.314 1.00 20.00 C ATOM 1129 C GLY A 476 -0.910 16.253 8.965 1.00 20.00 C ATOM 1130 O GLY A 476 -0.276 17.267 8.660 1.00 20.00 O ATOM 0 H GLY A 476 -2.936 14.558 10.632 1.00 20.00 H new ATOM 0 HA2 GLY A 476 -2.573 16.747 10.238 1.00 20.00 H new ATOM 0 HA3 GLY A 476 -1.034 16.671 11.072 1.00 20.00 H new ATOM 1134 N ARG A 477 -0.978 15.184 8.157 1.00 20.00 N ATOM 1135 CA ARG A 477 -0.442 15.095 6.791 1.00 20.00 C ATOM 1136 C ARG A 477 -1.306 15.878 5.792 1.00 20.00 C ATOM 1137 O ARG A 477 -2.408 16.322 6.123 1.00 20.00 O ATOM 1138 CB ARG A 477 -0.315 13.601 6.414 1.00 20.00 C ATOM 1139 CG ARG A 477 -1.668 12.934 6.088 1.00 20.00 C ATOM 1140 CD ARG A 477 -1.571 11.406 6.039 1.00 20.00 C ATOM 1141 NE ARG A 477 -1.638 10.806 7.389 1.00 20.00 N ATOM 1142 CZ ARG A 477 -2.661 10.174 7.940 1.00 20.00 C ATOM 1143 NH1 ARG A 477 -3.844 10.149 7.395 1.00 20.00 N ATOM 1144 NH2 ARG A 477 -2.511 9.542 9.066 1.00 20.00 N ATOM 0 H ARG A 477 -1.429 14.318 8.452 1.00 20.00 H new ATOM 0 HA ARG A 477 0.544 15.557 6.750 1.00 20.00 H new ATOM 0 HB2 ARG A 477 0.345 13.506 5.552 1.00 20.00 H new ATOM 0 HB3 ARG A 477 0.157 13.065 7.237 1.00 20.00 H new ATOM 0 HG2 ARG A 477 -2.403 13.224 6.839 1.00 20.00 H new ATOM 0 HG3 ARG A 477 -2.030 13.303 5.128 1.00 20.00 H new ATOM 0 HD2 ARG A 477 -2.380 11.010 5.425 1.00 20.00 H new ATOM 0 HD3 ARG A 477 -0.636 11.117 5.559 1.00 20.00 H new ATOM 0 HE ARG A 477 -0.798 10.889 7.962 1.00 20.00 H new ATOM 0 HH11 ARG A 477 -4.008 10.629 6.510 1.00 20.00 H new ATOM 0 HH12 ARG A 477 -4.606 9.650 7.853 1.00 20.00 H new ATOM 0 HH21 ARG A 477 -1.602 9.532 9.528 1.00 20.00 H new ATOM 0 HH22 ARG A 477 -3.303 9.056 9.487 1.00 20.00 H new ATOM 1158 N VAL A 478 -0.838 15.968 4.548 1.00 20.00 N ATOM 1159 CA VAL A 478 -1.640 16.431 3.399 1.00 20.00 C ATOM 1160 C VAL A 478 -1.455 15.472 2.219 1.00 20.00 C ATOM 1161 O VAL A 478 -0.330 15.098 1.892 1.00 20.00 O ATOM 1162 CB VAL A 478 -1.290 17.877 2.984 1.00 20.00 C ATOM 1163 CG1 VAL A 478 -2.236 18.396 1.892 1.00 20.00 C ATOM 1164 CG2 VAL A 478 -1.368 18.865 4.158 1.00 20.00 C ATOM 0 H VAL A 478 0.120 15.720 4.299 1.00 20.00 H new ATOM 0 HA VAL A 478 -2.686 16.435 3.705 1.00 20.00 H new ATOM 0 HB VAL A 478 -0.266 17.825 2.615 1.00 20.00 H new ATOM 0 HG11 VAL A 478 -1.959 19.416 1.626 1.00 20.00 H new ATOM 0 HG12 VAL A 478 -2.160 17.758 1.012 1.00 20.00 H new ATOM 0 HG13 VAL A 478 -3.261 18.383 2.262 1.00 20.00 H new ATOM 0 HG21 VAL A 478 -1.112 19.866 3.809 1.00 20.00 H new ATOM 0 HG22 VAL A 478 -2.380 18.869 4.563 1.00 20.00 H new ATOM 0 HG23 VAL A 478 -0.667 18.562 4.936 1.00 20.00 H new ATOM 1174 N LEU A 479 -2.559 15.082 1.578 1.00 20.00 N ATOM 1175 CA LEU A 479 -2.606 14.158 0.434 1.00 20.00 C ATOM 1176 C LEU A 479 -3.607 14.647 -0.637 1.00 20.00 C ATOM 1177 O LEU A 479 -4.611 15.280 -0.284 1.00 20.00 O ATOM 1178 CB LEU A 479 -2.997 12.746 0.926 1.00 20.00 C ATOM 1179 CG LEU A 479 -1.913 11.994 1.722 1.00 20.00 C ATOM 1180 CD1 LEU A 479 -2.495 10.697 2.285 1.00 20.00 C ATOM 1181 CD2 LEU A 479 -0.709 11.633 0.849 1.00 20.00 C ATOM 0 H LEU A 479 -3.485 15.413 1.850 1.00 20.00 H new ATOM 0 HA LEU A 479 -1.618 14.123 -0.024 1.00 20.00 H new ATOM 0 HB2 LEU A 479 -3.887 12.832 1.550 1.00 20.00 H new ATOM 0 HB3 LEU A 479 -3.271 12.142 0.061 1.00 20.00 H new ATOM 0 HG LEU A 479 -1.582 12.657 2.521 1.00 20.00 H new ATOM 0 HD11 LEU A 479 -1.726 10.167 2.847 1.00 20.00 H new ATOM 0 HD12 LEU A 479 -3.331 10.930 2.944 1.00 20.00 H new ATOM 0 HD13 LEU A 479 -2.843 10.068 1.465 1.00 20.00 H new ATOM 0 HD21 LEU A 479 0.031 11.104 1.450 1.00 20.00 H new ATOM 0 HD22 LEU A 479 -1.034 10.994 0.028 1.00 20.00 H new ATOM 0 HD23 LEU A 479 -0.265 12.544 0.446 1.00 20.00 H new ATOM 1193 N PRO A 480 -3.375 14.355 -1.934 1.00 20.00 N ATOM 1194 CA PRO A 480 -4.299 14.697 -3.017 1.00 20.00 C ATOM 1195 C PRO A 480 -5.570 13.828 -3.004 1.00 20.00 C ATOM 1196 O PRO A 480 -5.608 12.745 -2.417 1.00 20.00 O ATOM 1197 CB PRO A 480 -3.486 14.525 -4.305 1.00 20.00 C ATOM 1198 CG PRO A 480 -2.493 13.422 -3.948 1.00 20.00 C ATOM 1199 CD PRO A 480 -2.201 13.677 -2.470 1.00 20.00 C ATOM 0 HA PRO A 480 -4.675 15.715 -2.914 1.00 20.00 H new ATOM 0 HB2 PRO A 480 -4.119 14.240 -5.145 1.00 20.00 H new ATOM 0 HB3 PRO A 480 -2.978 15.448 -4.587 1.00 20.00 H new ATOM 0 HG2 PRO A 480 -2.917 12.431 -4.109 1.00 20.00 H new ATOM 0 HG3 PRO A 480 -1.589 13.484 -4.553 1.00 20.00 H new ATOM 0 HD2 PRO A 480 -2.017 12.741 -1.942 1.00 20.00 H new ATOM 0 HD3 PRO A 480 -1.308 14.291 -2.350 1.00 20.00 H new