USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 466 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 Single : A 420 MET CE :methyl 138:sc= -0.259 (180deg=-4.35!) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.537 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.21) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= 0 USER MOD Single : A 445 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-2.1) USER MOD Single : A 446 SER OG : rot 180:sc= -0.103 USER MOD Single : A 451 HIS : no HE2:sc= 0.00247 K(o=0.0025,f=-1.4) USER MOD Single : A 452 CYS SG : rot -80:sc= 0.724 USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN :FLIP amide:sc= -0.2 F(o=-0.71,f=-0.2) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 460 LYS NZ :NH3+ -159:sc= -0.067 (180deg=-0.588) USER MOD Single : A 465 SER OG : rot 9:sc= 0.896 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 469 ASN : amide:sc= -0.0757 K(o=-0.076,f=-2!) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 478 SER OG : rot 160:sc= 0.0245 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.739 -5.948 10.472 1.00 0.00 N ATOM 19 CA GLU A 418 7.484 -5.278 10.007 1.00 0.00 C ATOM 20 C GLU A 418 7.848 -4.050 9.174 1.00 0.00 C ATOM 21 O GLU A 418 8.855 -3.411 9.402 1.00 0.00 O ATOM 22 CB GLU A 418 6.662 -4.837 11.217 1.00 0.00 C ATOM 23 CG GLU A 418 6.124 -6.071 11.941 1.00 0.00 C ATOM 24 CD GLU A 418 5.364 -5.635 13.193 1.00 0.00 C ATOM 25 OE1 GLU A 418 5.277 -4.442 13.426 1.00 0.00 O ATOM 26 OE2 GLU A 418 4.880 -6.507 13.899 1.00 0.00 O ATOM 0 HA GLU A 418 6.902 -5.975 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 418 7.278 -4.245 11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.837 -4.200 10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.465 -6.635 11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.946 -6.733 12.213 1.00 0.00 H new ATOM 33 N VAL A 419 7.031 -3.718 8.205 1.00 0.00 N ATOM 34 CA VAL A 419 7.309 -2.528 7.341 1.00 0.00 C ATOM 35 C VAL A 419 6.211 -1.491 7.556 1.00 0.00 C ATOM 36 O VAL A 419 5.036 -1.793 7.508 1.00 0.00 O ATOM 37 CB VAL A 419 7.331 -2.954 5.870 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.571 -3.812 5.619 1.00 0.00 C ATOM 39 CG2 VAL A 419 6.075 -3.767 5.538 1.00 0.00 C ATOM 0 H VAL A 419 6.176 -4.224 7.974 1.00 0.00 H new ATOM 0 HA VAL A 419 8.277 -2.101 7.604 1.00 0.00 H new ATOM 0 HB VAL A 419 7.356 -2.066 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.595 -4.120 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.466 -3.233 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.537 -4.695 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 419 6.101 -4.065 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 419 6.040 -4.656 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.189 -3.159 5.721 1.00 0.00 H new ATOM 49 N MET A 420 6.591 -0.266 7.806 1.00 0.00 N ATOM 50 CA MET A 420 5.586 0.813 8.042 1.00 0.00 C ATOM 51 C MET A 420 5.424 1.649 6.776 1.00 0.00 C ATOM 52 O MET A 420 6.372 1.902 6.062 1.00 0.00 O ATOM 53 CB MET A 420 6.063 1.704 9.190 1.00 0.00 C ATOM 54 CG MET A 420 5.023 2.793 9.461 1.00 0.00 C ATOM 55 SD MET A 420 5.534 3.762 10.903 1.00 0.00 S ATOM 56 CE MET A 420 7.015 4.504 10.172 1.00 0.00 C ATOM 0 H MET A 420 7.564 0.036 7.857 1.00 0.00 H new ATOM 0 HA MET A 420 4.626 0.367 8.301 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.220 1.105 10.087 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.022 2.157 8.938 1.00 0.00 H new ATOM 0 HG2 MET A 420 4.922 3.441 8.590 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.046 2.343 9.638 1.00 0.00 H new ATOM 0 HE1 MET A 420 7.073 5.555 10.455 1.00 0.00 H new ATOM 0 HE2 MET A 420 7.900 3.981 10.534 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.965 4.423 9.086 1.00 0.00 H new ATOM 66 N VAL A 421 4.220 2.076 6.497 1.00 0.00 N ATOM 67 CA VAL A 421 3.962 2.902 5.278 1.00 0.00 C ATOM 68 C VAL A 421 3.150 4.132 5.673 1.00 0.00 C ATOM 69 O VAL A 421 2.591 4.199 6.753 1.00 0.00 O ATOM 70 CB VAL A 421 3.175 2.081 4.255 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.015 0.878 3.824 1.00 0.00 C ATOM 72 CG2 VAL A 421 1.867 1.594 4.884 1.00 0.00 C ATOM 0 H VAL A 421 3.396 1.886 7.067 1.00 0.00 H new ATOM 0 HA VAL A 421 4.911 3.209 4.838 1.00 0.00 H new ATOM 0 HB VAL A 421 2.947 2.699 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.459 0.289 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 421 4.946 1.226 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.240 0.261 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.308 1.009 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.090 0.973 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.271 2.452 5.195 1.00 0.00 H new ATOM 82 N PHE A 422 3.098 5.114 4.809 1.00 0.00 N ATOM 83 CA PHE A 422 2.341 6.365 5.116 1.00 0.00 C ATOM 84 C PHE A 422 1.250 6.570 4.068 1.00 0.00 C ATOM 85 O PHE A 422 1.460 6.386 2.887 1.00 0.00 O ATOM 86 CB PHE A 422 3.305 7.551 5.067 1.00 0.00 C ATOM 87 CG PHE A 422 4.375 7.376 6.115 1.00 0.00 C ATOM 88 CD1 PHE A 422 4.170 7.859 7.412 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.576 6.735 5.788 1.00 0.00 C ATOM 90 CE1 PHE A 422 5.167 7.702 8.383 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.572 6.577 6.758 1.00 0.00 C ATOM 92 CZ PHE A 422 6.368 7.061 8.056 1.00 0.00 C ATOM 0 H PHE A 422 3.552 5.102 3.896 1.00 0.00 H new ATOM 0 HA PHE A 422 1.889 6.287 6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.758 7.624 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.763 8.481 5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.243 8.353 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.734 6.362 4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 422 5.009 8.075 9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.498 6.082 6.506 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.137 6.940 8.805 1.00 0.00 H new ATOM 102 N THR A 423 0.081 6.950 4.503 1.00 0.00 N ATOM 103 CA THR A 423 -1.053 7.180 3.556 1.00 0.00 C ATOM 104 C THR A 423 -1.163 8.684 3.284 1.00 0.00 C ATOM 105 O THR A 423 -0.595 9.488 3.995 1.00 0.00 O ATOM 106 CB THR A 423 -2.372 6.656 4.189 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.335 7.700 4.228 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.119 6.154 5.617 1.00 0.00 C ATOM 0 H THR A 423 -0.142 7.114 5.485 1.00 0.00 H new ATOM 0 HA THR A 423 -0.877 6.649 2.621 1.00 0.00 H new ATOM 0 HB THR A 423 -2.744 5.832 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.165 7.365 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.053 5.791 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.391 5.343 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.734 6.971 6.227 1.00 0.00 H new ATOM 116 N PRO A 424 -1.895 9.064 2.271 1.00 0.00 N ATOM 117 CA PRO A 424 -2.090 10.501 1.915 1.00 0.00 C ATOM 118 C PRO A 424 -2.869 11.242 3.006 1.00 0.00 C ATOM 119 O PRO A 424 -2.911 12.456 3.042 1.00 0.00 O ATOM 120 CB PRO A 424 -2.882 10.455 0.596 1.00 0.00 C ATOM 121 CG PRO A 424 -3.550 9.116 0.590 1.00 0.00 C ATOM 122 CD PRO A 424 -2.617 8.171 1.346 1.00 0.00 C ATOM 0 HA PRO A 424 -1.147 11.038 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -3.614 11.261 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -2.223 10.571 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.527 9.166 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.714 8.768 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -3.173 7.403 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -1.934 7.656 0.670 1.00 0.00 H new ATOM 130 N LYS A 425 -3.483 10.511 3.894 1.00 0.00 N ATOM 131 CA LYS A 425 -4.261 11.149 4.991 1.00 0.00 C ATOM 132 C LYS A 425 -3.319 11.490 6.149 1.00 0.00 C ATOM 133 O LYS A 425 -3.714 12.103 7.121 1.00 0.00 O ATOM 134 CB LYS A 425 -5.333 10.166 5.469 1.00 0.00 C ATOM 135 CG LYS A 425 -6.218 9.733 4.292 1.00 0.00 C ATOM 136 CD LYS A 425 -7.010 10.931 3.755 1.00 0.00 C ATOM 137 CE LYS A 425 -8.170 10.436 2.891 1.00 0.00 C ATOM 138 NZ LYS A 425 -8.956 11.607 2.410 1.00 0.00 N ATOM 0 H LYS A 425 -3.479 9.491 3.906 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.733 12.064 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.861 9.293 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.945 10.631 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -5.600 9.312 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.904 8.949 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.390 11.529 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -6.357 11.578 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -7.790 9.865 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.808 9.766 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -9.747 11.276 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -9.328 12.134 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -8.342 12.229 1.847 1.00 0.00 H new ATOM 152 N GLY A 426 -2.073 11.097 6.053 1.00 0.00 N ATOM 153 CA GLY A 426 -1.102 11.404 7.144 1.00 0.00 C ATOM 154 C GLY A 426 -1.207 10.344 8.243 1.00 0.00 C ATOM 155 O GLY A 426 -0.635 10.482 9.306 1.00 0.00 O ATOM 0 H GLY A 426 -1.688 10.577 5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -0.088 11.428 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -1.306 12.392 7.558 1.00 0.00 H new ATOM 159 N GLU A 427 -1.937 9.288 7.997 1.00 0.00 N ATOM 160 CA GLU A 427 -2.091 8.217 9.028 1.00 0.00 C ATOM 161 C GLU A 427 -0.907 7.248 8.949 1.00 0.00 C ATOM 162 O GLU A 427 -0.195 7.196 7.967 1.00 0.00 O ATOM 163 CB GLU A 427 -3.410 7.463 8.778 1.00 0.00 C ATOM 164 CG GLU A 427 -4.540 8.102 9.594 1.00 0.00 C ATOM 165 CD GLU A 427 -4.730 9.555 9.159 1.00 0.00 C ATOM 166 OE1 GLU A 427 -4.278 9.892 8.078 1.00 0.00 O ATOM 167 OE2 GLU A 427 -5.316 10.309 9.918 1.00 0.00 O ATOM 0 H GLU A 427 -2.436 9.120 7.123 1.00 0.00 H new ATOM 0 HA GLU A 427 -2.112 8.663 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.657 7.488 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.298 6.415 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -5.466 7.545 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -4.304 8.058 10.657 1.00 0.00 H new ATOM 174 N ILE A 428 -0.699 6.482 9.991 1.00 0.00 N ATOM 175 CA ILE A 428 0.430 5.503 10.014 1.00 0.00 C ATOM 176 C ILE A 428 -0.134 4.087 9.964 1.00 0.00 C ATOM 177 O ILE A 428 -1.008 3.731 10.729 1.00 0.00 O ATOM 178 CB ILE A 428 1.219 5.677 11.312 1.00 0.00 C ATOM 179 CG1 ILE A 428 1.645 7.144 11.466 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.457 4.778 11.282 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.362 7.631 10.202 1.00 0.00 C ATOM 0 H ILE A 428 -1.270 6.494 10.836 1.00 0.00 H new ATOM 0 HA ILE A 428 1.082 5.674 9.157 1.00 0.00 H new ATOM 0 HB ILE A 428 0.591 5.397 12.158 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.770 7.765 11.657 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.304 7.249 12.328 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.019 4.902 12.207 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.149 3.737 11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.086 5.053 10.435 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.657 8.673 10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.249 7.022 10.029 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.691 7.546 9.347 1.00 0.00 H new ATOM 193 N LYS A 429 0.362 3.277 9.064 1.00 0.00 N ATOM 194 CA LYS A 429 -0.135 1.872 8.948 1.00 0.00 C ATOM 195 C LYS A 429 1.056 0.919 8.983 1.00 0.00 C ATOM 196 O LYS A 429 2.039 1.109 8.296 1.00 0.00 O ATOM 197 CB LYS A 429 -0.878 1.713 7.617 1.00 0.00 C ATOM 198 CG LYS A 429 -2.057 2.697 7.541 1.00 0.00 C ATOM 199 CD LYS A 429 -3.198 2.241 8.460 1.00 0.00 C ATOM 200 CE LYS A 429 -4.393 3.179 8.288 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.482 2.751 9.211 1.00 0.00 N ATOM 0 H LYS A 429 1.094 3.530 8.400 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.810 1.645 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.194 1.891 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.242 0.691 7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.725 3.694 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.415 2.766 6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.487 1.218 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.866 2.243 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.099 4.206 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.744 3.157 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.300 3.384 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.766 1.776 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -5.142 2.793 10.193 1.00 0.00 H new ATOM 215 N ARG A 430 0.969 -0.109 9.790 1.00 0.00 N ATOM 216 CA ARG A 430 2.085 -1.098 9.899 1.00 0.00 C ATOM 217 C ARG A 430 1.659 -2.419 9.267 1.00 0.00 C ATOM 218 O ARG A 430 0.538 -2.857 9.423 1.00 0.00 O ATOM 219 CB ARG A 430 2.417 -1.320 11.373 1.00 0.00 C ATOM 220 CG ARG A 430 3.056 -0.052 11.939 1.00 0.00 C ATOM 221 CD ARG A 430 3.379 -0.257 13.419 1.00 0.00 C ATOM 222 NE ARG A 430 2.111 -0.336 14.193 1.00 0.00 N ATOM 223 CZ ARG A 430 2.144 -0.537 15.483 1.00 0.00 C ATOM 224 NH1 ARG A 430 3.290 -0.665 16.096 1.00 0.00 N ATOM 225 NH2 ARG A 430 1.031 -0.609 16.160 1.00 0.00 N ATOM 0 H ARG A 430 0.164 -0.307 10.384 1.00 0.00 H new ATOM 0 HA ARG A 430 2.964 -0.717 9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.512 -1.565 11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.097 -2.165 11.482 1.00 0.00 H new ATOM 0 HG2 ARG A 430 3.966 0.186 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.379 0.794 11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 430 3.958 -1.171 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 430 3.992 0.566 13.787 1.00 0.00 H new ATOM 0 HE ARG A 430 1.215 -0.233 13.716 1.00 0.00 H new ATOM 0 HH11 ARG A 430 4.160 -0.608 15.567 1.00 0.00 H new ATOM 0 HH12 ARG A 430 3.315 -0.822 17.104 1.00 0.00 H new ATOM 0 HH21 ARG A 430 0.136 -0.508 15.682 1.00 0.00 H new ATOM 0 HH22 ARG A 430 1.056 -0.766 17.168 1.00 0.00 H new ATOM 239 N LEU A 431 2.549 -3.058 8.547 1.00 0.00 N ATOM 240 CA LEU A 431 2.205 -4.358 7.893 1.00 0.00 C ATOM 241 C LEU A 431 3.363 -5.351 8.085 1.00 0.00 C ATOM 242 O LEU A 431 4.513 -4.959 8.137 1.00 0.00 O ATOM 243 CB LEU A 431 1.977 -4.127 6.399 1.00 0.00 C ATOM 244 CG LEU A 431 0.734 -3.254 6.183 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.640 -2.881 4.699 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.538 -4.017 6.605 1.00 0.00 C ATOM 0 H LEU A 431 3.502 -2.733 8.384 1.00 0.00 H new ATOM 0 HA LEU A 431 1.300 -4.765 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.850 -3.644 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.852 -5.083 5.890 1.00 0.00 H new ATOM 0 HG LEU A 431 0.817 -2.353 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 431 -0.241 -2.260 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.533 -2.329 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.561 -3.788 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.411 -3.384 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.633 -4.924 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.470 -4.283 7.660 1.00 0.00 H new ATOM 258 N PRO A 432 3.067 -6.630 8.188 1.00 0.00 N ATOM 259 CA PRO A 432 4.111 -7.683 8.377 1.00 0.00 C ATOM 260 C PRO A 432 4.983 -7.879 7.128 1.00 0.00 C ATOM 261 O PRO A 432 4.607 -7.528 6.029 1.00 0.00 O ATOM 262 CB PRO A 432 3.301 -8.947 8.704 1.00 0.00 C ATOM 263 CG PRO A 432 1.963 -8.723 8.075 1.00 0.00 C ATOM 264 CD PRO A 432 1.711 -7.215 8.138 1.00 0.00 C ATOM 0 HA PRO A 432 4.820 -7.418 9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.782 -9.839 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.212 -9.091 9.781 1.00 0.00 H new ATOM 0 HG2 PRO A 432 1.953 -9.077 7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.185 -9.271 8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.157 -6.866 7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.126 -6.944 9.017 1.00 0.00 H new ATOM 272 N GLN A 433 6.154 -8.431 7.306 1.00 0.00 N ATOM 273 CA GLN A 433 7.080 -8.647 6.156 1.00 0.00 C ATOM 274 C GLN A 433 6.395 -9.486 5.074 1.00 0.00 C ATOM 275 O GLN A 433 5.592 -10.351 5.356 1.00 0.00 O ATOM 276 CB GLN A 433 8.331 -9.379 6.655 1.00 0.00 C ATOM 277 CG GLN A 433 9.366 -9.465 5.530 1.00 0.00 C ATOM 278 CD GLN A 433 9.872 -8.063 5.191 1.00 0.00 C ATOM 279 OE1 GLN A 433 9.846 -7.655 4.045 1.00 0.00 O ATOM 280 NE2 GLN A 433 10.335 -7.304 6.144 1.00 0.00 N ATOM 0 H GLN A 433 6.512 -8.745 8.208 1.00 0.00 H new ATOM 0 HA GLN A 433 7.356 -7.683 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.754 -8.853 7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.066 -10.380 6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 433 10.198 -10.099 5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 433 8.922 -9.926 4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 433 10.356 -7.647 7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 433 10.676 -6.367 5.929 1.00 0.00 H new ATOM 289 N GLY A 434 6.712 -9.224 3.832 1.00 0.00 N ATOM 290 CA GLY A 434 6.087 -9.992 2.717 1.00 0.00 C ATOM 291 C GLY A 434 4.733 -9.370 2.382 1.00 0.00 C ATOM 292 O GLY A 434 3.931 -9.945 1.673 1.00 0.00 O ATOM 0 H GLY A 434 7.379 -8.509 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 434 6.735 -9.978 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 434 5.961 -11.036 3.003 1.00 0.00 H new ATOM 296 N ALA A 435 4.477 -8.200 2.896 1.00 0.00 N ATOM 297 CA ALA A 435 3.174 -7.528 2.630 1.00 0.00 C ATOM 298 C ALA A 435 3.108 -7.065 1.175 1.00 0.00 C ATOM 299 O ALA A 435 4.117 -6.830 0.541 1.00 0.00 O ATOM 300 CB ALA A 435 3.035 -6.318 3.552 1.00 0.00 C ATOM 0 H ALA A 435 5.118 -7.677 3.493 1.00 0.00 H new ATOM 0 HA ALA A 435 2.364 -8.233 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 435 2.083 -5.823 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 435 3.072 -6.646 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.851 -5.621 3.363 1.00 0.00 H new ATOM 306 N THR A 436 1.915 -6.939 0.645 1.00 0.00 N ATOM 307 CA THR A 436 1.744 -6.496 -0.775 1.00 0.00 C ATOM 308 C THR A 436 0.775 -5.313 -0.833 1.00 0.00 C ATOM 309 O THR A 436 0.130 -4.971 0.137 1.00 0.00 O ATOM 310 CB THR A 436 1.170 -7.649 -1.598 1.00 0.00 C ATOM 311 OG1 THR A 436 -0.133 -7.965 -1.124 1.00 0.00 O ATOM 312 CG2 THR A 436 2.076 -8.872 -1.461 1.00 0.00 C ATOM 0 H THR A 436 1.044 -7.126 1.141 1.00 0.00 H new ATOM 0 HA THR A 436 2.712 -6.196 -1.177 1.00 0.00 H new ATOM 0 HB THR A 436 1.113 -7.357 -2.646 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.503 -8.703 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.668 -9.695 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.074 -8.628 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.133 -9.167 -0.413 1.00 0.00 H new ATOM 320 N ALA A 437 0.670 -4.692 -1.975 1.00 0.00 N ATOM 321 CA ALA A 437 -0.251 -3.533 -2.125 1.00 0.00 C ATOM 322 C ALA A 437 -1.682 -3.983 -1.832 1.00 0.00 C ATOM 323 O ALA A 437 -2.479 -3.244 -1.288 1.00 0.00 O ATOM 324 CB ALA A 437 -0.162 -3.013 -3.559 1.00 0.00 C ATOM 0 H ALA A 437 1.188 -4.941 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 437 0.028 -2.743 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.833 -2.163 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.861 -2.701 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.450 -3.804 -4.251 1.00 0.00 H new ATOM 330 N LEU A 438 -2.012 -5.193 -2.190 1.00 0.00 N ATOM 331 CA LEU A 438 -3.387 -5.701 -1.939 1.00 0.00 C ATOM 332 C LEU A 438 -3.653 -5.737 -0.432 1.00 0.00 C ATOM 333 O LEU A 438 -4.715 -5.372 0.028 1.00 0.00 O ATOM 334 CB LEU A 438 -3.509 -7.117 -2.509 1.00 0.00 C ATOM 335 CG LEU A 438 -3.468 -7.070 -4.044 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.328 -8.496 -4.585 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.757 -6.426 -4.598 1.00 0.00 C ATOM 0 H LEU A 438 -1.384 -5.854 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.113 -5.045 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.697 -7.740 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.441 -7.573 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.616 -6.468 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.298 -8.471 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.407 -8.940 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -4.179 -9.094 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.712 -6.400 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.621 -7.012 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.850 -5.410 -4.215 1.00 0.00 H new ATOM 349 N ASP A 439 -2.692 -6.173 0.338 1.00 0.00 N ATOM 350 CA ASP A 439 -2.883 -6.243 1.816 1.00 0.00 C ATOM 351 C ASP A 439 -3.143 -4.837 2.362 1.00 0.00 C ATOM 352 O ASP A 439 -4.016 -4.628 3.181 1.00 0.00 O ATOM 353 CB ASP A 439 -1.612 -6.820 2.455 1.00 0.00 C ATOM 354 CG ASP A 439 -1.604 -8.347 2.323 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.595 -8.893 1.865 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.602 -8.946 2.679 1.00 0.00 O ATOM 0 H ASP A 439 -1.779 -6.485 0.006 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.734 -6.882 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.730 -6.401 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.564 -6.538 3.507 1.00 0.00 H new ATOM 361 N PHE A 440 -2.396 -3.867 1.909 1.00 0.00 N ATOM 362 CA PHE A 440 -2.601 -2.472 2.390 1.00 0.00 C ATOM 363 C PHE A 440 -4.012 -2.010 2.030 1.00 0.00 C ATOM 364 O PHE A 440 -4.706 -1.416 2.832 1.00 0.00 O ATOM 365 CB PHE A 440 -1.575 -1.555 1.726 1.00 0.00 C ATOM 366 CG PHE A 440 -1.833 -0.124 2.134 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.334 0.365 3.348 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.568 0.716 1.292 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.573 1.693 3.718 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.808 2.044 1.662 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.308 2.533 2.874 1.00 0.00 C ATOM 0 H PHE A 440 -1.650 -3.982 1.223 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.476 -2.435 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.567 -1.850 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.635 -1.651 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.765 -0.283 3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.951 0.339 0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.190 2.070 4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -3.379 2.691 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.489 3.559 3.158 1.00 0.00 H new ATOM 381 N ALA A 441 -4.438 -2.274 0.826 1.00 0.00 N ATOM 382 CA ALA A 441 -5.801 -1.849 0.402 1.00 0.00 C ATOM 383 C ALA A 441 -6.839 -2.425 1.366 1.00 0.00 C ATOM 384 O ALA A 441 -7.749 -1.744 1.794 1.00 0.00 O ATOM 385 CB ALA A 441 -6.065 -2.367 -1.017 1.00 0.00 C ATOM 0 H ALA A 441 -3.898 -2.768 0.115 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.871 -0.761 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.061 -2.061 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.322 -1.954 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.000 -3.455 -1.025 1.00 0.00 H new ATOM 391 N TYR A 442 -6.702 -3.675 1.715 1.00 0.00 N ATOM 392 CA TYR A 442 -7.673 -4.299 2.654 1.00 0.00 C ATOM 393 C TYR A 442 -7.601 -3.581 4.002 1.00 0.00 C ATOM 394 O TYR A 442 -8.595 -3.398 4.676 1.00 0.00 O ATOM 395 CB TYR A 442 -7.329 -5.782 2.840 1.00 0.00 C ATOM 396 CG TYR A 442 -7.798 -6.576 1.637 1.00 0.00 C ATOM 397 CD1 TYR A 442 -9.167 -6.662 1.347 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.869 -7.228 0.814 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.602 -7.396 0.237 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.307 -7.960 -0.294 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.673 -8.045 -0.583 1.00 0.00 C ATOM 402 OH TYR A 442 -9.105 -8.770 -1.675 1.00 0.00 O ATOM 0 H TYR A 442 -5.957 -4.291 1.389 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.681 -4.214 2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.253 -5.901 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.802 -6.163 3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.886 -6.162 1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.814 -7.165 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.657 -7.461 0.013 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.590 -8.460 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.332 -9.156 -2.138 1.00 0.00 H new ATOM 412 N SER A 443 -6.426 -3.179 4.396 1.00 0.00 N ATOM 413 CA SER A 443 -6.268 -2.477 5.698 1.00 0.00 C ATOM 414 C SER A 443 -7.071 -1.175 5.695 1.00 0.00 C ATOM 415 O SER A 443 -7.676 -0.805 6.683 1.00 0.00 O ATOM 416 CB SER A 443 -4.787 -2.164 5.918 1.00 0.00 C ATOM 417 OG SER A 443 -4.569 -1.876 7.293 1.00 0.00 O ATOM 0 H SER A 443 -5.563 -3.308 3.868 1.00 0.00 H new ATOM 0 HA SER A 443 -6.637 -3.116 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.174 -3.011 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.488 -1.314 5.304 1.00 0.00 H new ATOM 0 HG SER A 443 -3.621 -1.676 7.439 1.00 0.00 H new ATOM 423 N LEU A 444 -7.076 -0.470 4.596 1.00 0.00 N ATOM 424 CA LEU A 444 -7.830 0.815 4.535 1.00 0.00 C ATOM 425 C LEU A 444 -9.240 0.614 5.083 1.00 0.00 C ATOM 426 O LEU A 444 -9.528 0.937 6.217 1.00 0.00 O ATOM 427 CB LEU A 444 -7.918 1.288 3.084 1.00 0.00 C ATOM 428 CG LEU A 444 -6.510 1.482 2.510 1.00 0.00 C ATOM 429 CD1 LEU A 444 -6.622 1.883 1.037 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.765 2.580 3.295 1.00 0.00 C ATOM 0 H LEU A 444 -6.590 -0.729 3.737 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.310 1.562 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -8.466 0.558 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.474 2.224 3.031 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.951 0.550 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -5.624 2.023 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -7.139 1.098 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -7.183 2.814 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.766 2.710 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.315 3.518 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.687 2.289 4.343 1.00 0.00 H new ATOM 442 N HIS A 445 -10.128 0.095 4.279 1.00 0.00 N ATOM 443 CA HIS A 445 -11.527 -0.117 4.744 1.00 0.00 C ATOM 444 C HIS A 445 -12.136 -1.301 3.993 1.00 0.00 C ATOM 445 O HIS A 445 -13.340 -1.443 3.914 1.00 0.00 O ATOM 446 CB HIS A 445 -12.339 1.149 4.471 1.00 0.00 C ATOM 447 CG HIS A 445 -11.771 2.284 5.281 1.00 0.00 C ATOM 448 ND1 HIS A 445 -11.946 2.369 6.653 1.00 0.00 N ATOM 449 CD2 HIS A 445 -11.019 3.379 4.931 1.00 0.00 C ATOM 450 CE1 HIS A 445 -11.313 3.479 7.075 1.00 0.00 C ATOM 451 NE2 HIS A 445 -10.731 4.131 6.064 1.00 0.00 N ATOM 0 H HIS A 445 -9.943 -0.192 3.318 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.538 -0.330 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -12.309 1.393 3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -13.385 0.988 4.731 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -10.700 3.619 3.928 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -11.279 3.803 8.105 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -10.191 4.995 6.113 1.00 0.00 H new ATOM 459 N SER A 446 -11.306 -2.148 3.440 1.00 0.00 N ATOM 460 CA SER A 446 -11.811 -3.333 2.688 1.00 0.00 C ATOM 461 C SER A 446 -12.498 -2.876 1.398 1.00 0.00 C ATOM 462 O SER A 446 -12.387 -3.511 0.368 1.00 0.00 O ATOM 463 CB SER A 446 -12.798 -4.120 3.557 1.00 0.00 C ATOM 464 OG SER A 446 -12.353 -4.094 4.908 1.00 0.00 O ATOM 0 H SER A 446 -10.290 -2.067 3.479 1.00 0.00 H new ATOM 0 HA SER A 446 -10.971 -3.979 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 446 -13.795 -3.686 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 446 -12.871 -5.149 3.205 1.00 0.00 H new ATOM 0 HG SER A 446 -12.982 -4.595 5.469 1.00 0.00 H new ATOM 470 N ASP A 447 -13.205 -1.781 1.442 1.00 0.00 N ATOM 471 CA ASP A 447 -13.892 -1.286 0.218 1.00 0.00 C ATOM 472 C ASP A 447 -12.852 -0.960 -0.855 1.00 0.00 C ATOM 473 O ASP A 447 -13.009 -1.297 -2.011 1.00 0.00 O ATOM 474 CB ASP A 447 -14.680 -0.022 0.561 1.00 0.00 C ATOM 475 CG ASP A 447 -15.905 -0.393 1.397 1.00 0.00 C ATOM 476 OD1 ASP A 447 -16.236 -1.567 1.442 1.00 0.00 O ATOM 477 OD2 ASP A 447 -16.494 0.503 1.981 1.00 0.00 O ATOM 0 H ASP A 447 -13.336 -1.207 2.275 1.00 0.00 H new ATOM 0 HA ASP A 447 -14.570 -2.053 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -14.048 0.674 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -14.991 0.484 -0.353 1.00 0.00 H new ATOM 482 N LEU A 448 -11.787 -0.304 -0.476 1.00 0.00 N ATOM 483 CA LEU A 448 -10.733 0.047 -1.465 1.00 0.00 C ATOM 484 C LEU A 448 -10.117 -1.240 -2.013 1.00 0.00 C ATOM 485 O LEU A 448 -9.886 -1.378 -3.199 1.00 0.00 O ATOM 486 CB LEU A 448 -9.650 0.884 -0.768 1.00 0.00 C ATOM 487 CG LEU A 448 -10.100 2.352 -0.639 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.072 3.055 -2.007 1.00 0.00 C ATOM 489 CD2 LEU A 448 -11.518 2.407 -0.060 1.00 0.00 C ATOM 0 H LEU A 448 -11.604 0.003 0.479 1.00 0.00 H new ATOM 0 HA LEU A 448 -11.164 0.622 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -9.444 0.473 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -8.721 0.831 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 448 -9.410 2.868 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.394 4.090 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -9.058 3.033 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -10.744 2.541 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -11.834 3.446 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -12.202 1.876 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -11.528 1.938 0.924 1.00 0.00 H new ATOM 501 N GLY A 449 -9.855 -2.187 -1.154 1.00 0.00 N ATOM 502 CA GLY A 449 -9.259 -3.471 -1.611 1.00 0.00 C ATOM 503 C GLY A 449 -10.307 -4.267 -2.389 1.00 0.00 C ATOM 504 O GLY A 449 -9.987 -5.036 -3.273 1.00 0.00 O ATOM 0 H GLY A 449 -10.030 -2.125 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -8.391 -3.278 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -8.910 -4.048 -0.755 1.00 0.00 H new ATOM 508 N ASP A 450 -11.559 -4.093 -2.059 1.00 0.00 N ATOM 509 CA ASP A 450 -12.631 -4.843 -2.774 1.00 0.00 C ATOM 510 C ASP A 450 -12.866 -4.213 -4.144 1.00 0.00 C ATOM 511 O ASP A 450 -13.568 -4.752 -4.976 1.00 0.00 O ATOM 512 CB ASP A 450 -13.925 -4.785 -1.958 1.00 0.00 C ATOM 513 CG ASP A 450 -13.764 -5.621 -0.688 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.766 -6.315 -0.579 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.641 -5.551 0.158 1.00 0.00 O ATOM 0 H ASP A 450 -11.885 -3.464 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 450 -12.326 -5.882 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -14.158 -3.752 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -14.759 -5.161 -2.551 1.00 0.00 H new ATOM 520 N HIS A 451 -12.283 -3.069 -4.383 1.00 0.00 N ATOM 521 CA HIS A 451 -12.460 -2.381 -5.697 1.00 0.00 C ATOM 522 C HIS A 451 -11.116 -1.803 -6.133 1.00 0.00 C ATOM 523 O HIS A 451 -11.049 -0.813 -6.837 1.00 0.00 O ATOM 524 CB HIS A 451 -13.485 -1.254 -5.544 1.00 0.00 C ATOM 525 CG HIS A 451 -14.840 -1.849 -5.264 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.268 -2.147 -3.979 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.871 -2.211 -6.095 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.505 -2.665 -4.073 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.921 -2.727 -5.339 1.00 0.00 N ATOM 0 H HIS A 451 -11.686 -2.576 -3.719 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.816 -3.088 -6.447 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.192 -0.588 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.520 -0.653 -6.452 1.00 0.00 H new ATOM 0 HD1 HIS A 451 -14.740 -2.000 -3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.868 -2.111 -7.170 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.091 -2.991 -3.226 1.00 0.00 H new ATOM 537 N CYS A 452 -10.039 -2.414 -5.718 1.00 0.00 N ATOM 538 CA CYS A 452 -8.694 -1.901 -6.102 1.00 0.00 C ATOM 539 C CYS A 452 -8.368 -2.342 -7.528 1.00 0.00 C ATOM 540 O CYS A 452 -8.116 -3.501 -7.789 1.00 0.00 O ATOM 541 CB CYS A 452 -7.646 -2.460 -5.141 1.00 0.00 C ATOM 542 SG CYS A 452 -7.789 -4.263 -5.064 1.00 0.00 S ATOM 0 H CYS A 452 -10.033 -3.247 -5.129 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.690 -0.812 -6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -6.647 -2.179 -5.474 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.784 -2.032 -4.148 1.00 0.00 H new ATOM 0 HG CYS A 452 -8.764 -4.587 -4.267 1.00 0.00 H new ATOM 548 N ILE A 453 -8.364 -1.418 -8.451 1.00 0.00 N ATOM 549 CA ILE A 453 -8.051 -1.760 -9.872 1.00 0.00 C ATOM 550 C ILE A 453 -6.601 -1.382 -10.180 1.00 0.00 C ATOM 551 O ILE A 453 -6.109 -1.610 -11.268 1.00 0.00 O ATOM 552 CB ILE A 453 -8.999 -0.987 -10.797 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.878 0.518 -10.530 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.438 -1.433 -10.533 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.720 1.286 -11.552 1.00 0.00 C ATOM 0 H ILE A 453 -8.566 -0.433 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.182 -2.830 -10.032 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.733 -1.190 -11.834 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -9.215 0.747 -9.519 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.835 0.827 -10.596 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -11.115 -0.885 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.529 -2.502 -10.728 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.697 -1.230 -9.494 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -9.635 2.356 -11.363 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -9.362 1.065 -12.558 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.764 0.984 -11.464 1.00 0.00 H new ATOM 567 N GLY A 454 -5.908 -0.804 -9.235 1.00 0.00 N ATOM 568 CA GLY A 454 -4.492 -0.418 -9.494 1.00 0.00 C ATOM 569 C GLY A 454 -3.840 0.085 -8.203 1.00 0.00 C ATOM 570 O GLY A 454 -4.471 0.195 -7.171 1.00 0.00 O ATOM 0 H GLY A 454 -6.258 -0.584 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.938 -1.274 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.452 0.359 -10.257 1.00 0.00 H new ATOM 574 N ALA A 455 -2.571 0.395 -8.261 1.00 0.00 N ATOM 575 CA ALA A 455 -1.861 0.899 -7.050 1.00 0.00 C ATOM 576 C ALA A 455 -0.699 1.789 -7.486 1.00 0.00 C ATOM 577 O ALA A 455 -0.125 1.597 -8.539 1.00 0.00 O ATOM 578 CB ALA A 455 -1.318 -0.281 -6.241 1.00 0.00 C ATOM 0 H ALA A 455 -1.994 0.320 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.555 1.470 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.800 0.091 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -2.144 -0.923 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.623 -0.854 -6.855 1.00 0.00 H new ATOM 584 N LYS A 456 -0.345 2.762 -6.685 1.00 0.00 N ATOM 585 CA LYS A 456 0.789 3.667 -7.049 1.00 0.00 C ATOM 586 C LYS A 456 1.676 3.868 -5.820 1.00 0.00 C ATOM 587 O LYS A 456 1.215 4.268 -4.770 1.00 0.00 O ATOM 588 CB LYS A 456 0.229 5.019 -7.523 1.00 0.00 C ATOM 589 CG LYS A 456 1.251 5.714 -8.429 1.00 0.00 C ATOM 590 CD LYS A 456 0.636 6.982 -9.017 1.00 0.00 C ATOM 591 CE LYS A 456 1.635 7.621 -9.980 1.00 0.00 C ATOM 592 NZ LYS A 456 1.023 8.820 -10.611 1.00 0.00 N ATOM 0 H LYS A 456 -0.793 2.970 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 456 1.379 3.226 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.706 4.867 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.002 5.650 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.147 5.962 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.558 5.042 -9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.290 6.743 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 456 0.382 7.681 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 456 2.542 7.902 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 456 1.927 6.903 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 1.705 9.254 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 0.170 8.539 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.766 9.507 -9.874 1.00 0.00 H new ATOM 606 N VAL A 457 2.949 3.579 -5.945 1.00 0.00 N ATOM 607 CA VAL A 457 3.888 3.731 -4.789 1.00 0.00 C ATOM 608 C VAL A 457 5.023 4.691 -5.163 1.00 0.00 C ATOM 609 O VAL A 457 5.620 4.590 -6.215 1.00 0.00 O ATOM 610 CB VAL A 457 4.469 2.357 -4.433 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.614 2.523 -3.428 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.369 1.492 -3.813 1.00 0.00 C ATOM 0 H VAL A 457 3.381 3.242 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 457 3.350 4.137 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 457 4.850 1.879 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.024 1.544 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.396 3.142 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.238 3.001 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.776 0.514 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 457 2.991 1.974 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.555 1.371 -4.528 1.00 0.00 H new ATOM 622 N ASN A 458 5.317 5.624 -4.295 1.00 0.00 N ATOM 623 CA ASN A 458 6.408 6.601 -4.570 1.00 0.00 C ATOM 624 C ASN A 458 6.140 7.313 -5.899 1.00 0.00 C ATOM 625 O ASN A 458 7.033 7.513 -6.699 1.00 0.00 O ATOM 626 CB ASN A 458 7.755 5.872 -4.618 1.00 0.00 C ATOM 627 CG ASN A 458 8.891 6.894 -4.536 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.425 7.167 -3.376 1.00 0.00 O flip ATOM 629 ND2 ASN A 458 9.296 7.451 -5.538 1.00 0.00 N flip ATOM 0 H ASN A 458 4.843 5.750 -3.401 1.00 0.00 H new ATOM 0 HA ASN A 458 6.439 7.344 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.827 5.165 -3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.836 5.295 -5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 458 8.879 7.238 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 458 10.053 8.132 -5.473 1.00 0.00 H new ATOM 636 N HIS A 459 4.912 7.699 -6.125 1.00 0.00 N ATOM 637 CA HIS A 459 4.552 8.411 -7.388 1.00 0.00 C ATOM 638 C HIS A 459 4.980 7.587 -8.600 1.00 0.00 C ATOM 639 O HIS A 459 5.007 8.081 -9.709 1.00 0.00 O ATOM 640 CB HIS A 459 5.232 9.781 -7.431 1.00 0.00 C ATOM 641 CG HIS A 459 4.628 10.678 -6.385 1.00 0.00 C ATOM 642 ND1 HIS A 459 5.097 10.714 -5.081 1.00 0.00 N ATOM 643 CD2 HIS A 459 3.589 11.573 -6.434 1.00 0.00 C ATOM 644 CE1 HIS A 459 4.350 11.607 -4.407 1.00 0.00 C ATOM 645 NE2 HIS A 459 3.415 12.158 -5.184 1.00 0.00 N ATOM 0 H HIS A 459 4.134 7.550 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 459 3.471 8.546 -7.414 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.303 9.672 -7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 459 5.113 10.226 -8.419 1.00 0.00 H new ATOM 0 HD2 HIS A 459 2.996 11.790 -7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 459 4.490 11.849 -3.364 1.00 0.00 H new ATOM 0 HE2 HIS A 459 2.722 12.858 -4.918 1.00 0.00 H new ATOM 653 N LYS A 460 5.311 6.333 -8.401 1.00 0.00 N ATOM 654 CA LYS A 460 5.736 5.462 -9.545 1.00 0.00 C ATOM 655 C LYS A 460 4.749 4.303 -9.686 1.00 0.00 C ATOM 656 O LYS A 460 4.323 3.713 -8.713 1.00 0.00 O ATOM 657 CB LYS A 460 7.137 4.910 -9.282 1.00 0.00 C ATOM 658 CG LYS A 460 7.621 4.164 -10.525 1.00 0.00 C ATOM 659 CD LYS A 460 9.071 3.727 -10.328 1.00 0.00 C ATOM 660 CE LYS A 460 9.565 3.012 -11.586 1.00 0.00 C ATOM 661 NZ LYS A 460 8.730 1.803 -11.832 1.00 0.00 N ATOM 0 H LYS A 460 5.305 5.873 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 460 5.750 6.049 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.822 5.723 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.122 4.239 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.990 3.294 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.540 4.807 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.698 4.594 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.148 3.064 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.512 3.684 -12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 460 10.610 2.727 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 9.251 1.139 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 8.509 1.343 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 7.846 2.082 -12.303 1.00 0.00 H new ATOM 675 N LEU A 461 4.374 3.980 -10.893 1.00 0.00 N ATOM 676 CA LEU A 461 3.405 2.868 -11.109 1.00 0.00 C ATOM 677 C LEU A 461 4.026 1.538 -10.680 1.00 0.00 C ATOM 678 O LEU A 461 5.158 1.238 -11.002 1.00 0.00 O ATOM 679 CB LEU A 461 3.039 2.804 -12.597 1.00 0.00 C ATOM 680 CG LEU A 461 2.113 1.608 -12.870 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.865 1.686 -11.975 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.693 1.632 -14.344 1.00 0.00 C ATOM 0 H LEU A 461 4.699 4.441 -11.743 1.00 0.00 H new ATOM 0 HA LEU A 461 2.511 3.049 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.547 3.729 -12.897 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.944 2.715 -13.197 1.00 0.00 H new ATOM 0 HG LEU A 461 2.643 0.682 -12.648 1.00 0.00 H new ATOM 0 HD11 LEU A 461 0.218 0.833 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.167 1.671 -10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.325 2.609 -12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 461 1.035 0.787 -14.549 1.00 0.00 H new ATOM 0 HD22 LEU A 461 1.166 2.562 -14.557 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.579 1.564 -14.976 1.00 0.00 H new ATOM 694 N VAL A 462 3.282 0.733 -9.967 1.00 0.00 N ATOM 695 CA VAL A 462 3.807 -0.594 -9.522 1.00 0.00 C ATOM 696 C VAL A 462 2.672 -1.628 -9.592 1.00 0.00 C ATOM 697 O VAL A 462 1.514 -1.289 -9.439 1.00 0.00 O ATOM 698 CB VAL A 462 4.314 -0.488 -8.080 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.677 0.211 -8.070 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.317 0.323 -7.244 1.00 0.00 C ATOM 0 H VAL A 462 2.328 0.938 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 462 4.628 -0.902 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 462 4.414 -1.487 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.039 0.287 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.386 -0.366 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.577 1.210 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.678 0.398 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.216 1.322 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.347 -0.174 -7.251 1.00 0.00 H new ATOM 710 N PRO A 463 2.996 -2.882 -9.819 1.00 0.00 N ATOM 711 CA PRO A 463 1.971 -3.968 -9.907 1.00 0.00 C ATOM 712 C PRO A 463 1.269 -4.225 -8.566 1.00 0.00 C ATOM 713 O PRO A 463 1.751 -3.857 -7.514 1.00 0.00 O ATOM 714 CB PRO A 463 2.775 -5.203 -10.357 1.00 0.00 C ATOM 715 CG PRO A 463 4.194 -4.919 -9.970 1.00 0.00 C ATOM 716 CD PRO A 463 4.361 -3.400 -10.025 1.00 0.00 C ATOM 0 HA PRO A 463 1.166 -3.707 -10.594 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.409 -6.108 -9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.685 -5.360 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.407 -5.297 -8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.888 -5.411 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 463 5.043 -3.045 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.770 -3.078 -10.983 1.00 0.00 H new ATOM 724 N LEU A 464 0.125 -4.852 -8.611 1.00 0.00 N ATOM 725 CA LEU A 464 -0.634 -5.147 -7.362 1.00 0.00 C ATOM 726 C LEU A 464 0.196 -6.079 -6.475 1.00 0.00 C ATOM 727 O LEU A 464 0.241 -5.928 -5.270 1.00 0.00 O ATOM 728 CB LEU A 464 -1.959 -5.826 -7.733 1.00 0.00 C ATOM 729 CG LEU A 464 -2.970 -4.769 -8.189 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.419 -4.025 -9.409 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.285 -5.455 -8.565 1.00 0.00 C ATOM 0 H LEU A 464 -0.321 -5.176 -9.469 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.837 -4.223 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.796 -6.554 -8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.351 -6.373 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 464 -3.144 -4.060 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.139 -3.273 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.480 -3.538 -9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.245 -4.733 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.007 -4.705 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.108 -6.163 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.679 -5.986 -7.699 1.00 0.00 H new ATOM 743 N SER A 465 0.849 -7.040 -7.066 1.00 0.00 N ATOM 744 CA SER A 465 1.677 -7.983 -6.268 1.00 0.00 C ATOM 745 C SER A 465 2.992 -7.302 -5.893 1.00 0.00 C ATOM 746 O SER A 465 3.943 -7.940 -5.481 1.00 0.00 O ATOM 747 CB SER A 465 1.963 -9.231 -7.105 1.00 0.00 C ATOM 748 OG SER A 465 3.116 -9.888 -6.595 1.00 0.00 O ATOM 0 H SER A 465 0.844 -7.213 -8.071 1.00 0.00 H new ATOM 0 HA SER A 465 1.145 -8.269 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 465 1.106 -9.904 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.120 -8.955 -8.148 1.00 0.00 H new ATOM 0 HG SER A 465 3.378 -9.476 -5.745 1.00 0.00 H new ATOM 754 N TYR A 466 3.052 -6.005 -6.035 1.00 0.00 N ATOM 755 CA TYR A 466 4.302 -5.263 -5.696 1.00 0.00 C ATOM 756 C TYR A 466 4.549 -5.320 -4.185 1.00 0.00 C ATOM 757 O TYR A 466 3.657 -5.109 -3.389 1.00 0.00 O ATOM 758 CB TYR A 466 4.148 -3.806 -6.137 1.00 0.00 C ATOM 759 CG TYR A 466 5.349 -3.009 -5.688 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.562 -3.120 -6.380 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.249 -2.156 -4.581 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.673 -2.379 -5.964 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.361 -1.415 -4.167 1.00 0.00 C ATOM 764 CZ TYR A 466 7.573 -1.527 -4.857 1.00 0.00 C ATOM 765 OH TYR A 466 8.669 -0.795 -4.447 1.00 0.00 O ATOM 0 H TYR A 466 2.285 -5.424 -6.373 1.00 0.00 H new ATOM 0 HA TYR A 466 5.149 -5.719 -6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.049 -3.753 -7.221 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.238 -3.382 -5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.639 -3.777 -7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.314 -2.071 -4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.609 -2.464 -6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.284 -0.756 -3.315 1.00 0.00 H new ATOM 0 HH TYR A 466 8.428 -0.255 -3.666 1.00 0.00 H new ATOM 775 N VAL A 467 5.761 -5.604 -3.788 1.00 0.00 N ATOM 776 CA VAL A 467 6.075 -5.675 -2.333 1.00 0.00 C ATOM 777 C VAL A 467 6.245 -4.264 -1.771 1.00 0.00 C ATOM 778 O VAL A 467 6.943 -3.440 -2.327 1.00 0.00 O ATOM 779 CB VAL A 467 7.365 -6.471 -2.133 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.770 -6.433 -0.659 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.126 -7.921 -2.561 1.00 0.00 C ATOM 0 H VAL A 467 6.548 -5.790 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 467 5.258 -6.170 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 467 8.163 -6.035 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.690 -7.001 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 467 7.932 -5.400 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 467 6.977 -6.871 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.041 -8.497 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.330 -8.353 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 467 6.837 -7.947 -3.612 1.00 0.00 H new ATOM 791 N LEU A 468 5.602 -3.980 -0.673 1.00 0.00 N ATOM 792 CA LEU A 468 5.707 -2.623 -0.066 1.00 0.00 C ATOM 793 C LEU A 468 7.052 -2.463 0.642 1.00 0.00 C ATOM 794 O LEU A 468 7.582 -3.398 1.209 1.00 0.00 O ATOM 795 CB LEU A 468 4.577 -2.445 0.947 1.00 0.00 C ATOM 796 CG LEU A 468 3.228 -2.670 0.258 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.108 -2.525 1.289 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.034 -1.642 -0.872 1.00 0.00 C ATOM 0 H LEU A 468 5.004 -4.633 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 468 5.631 -1.870 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.698 -3.150 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.615 -1.444 1.377 1.00 0.00 H new ATOM 0 HG LEU A 468 3.203 -3.671 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.145 -2.684 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.243 -3.263 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.137 -1.524 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.072 -1.810 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.060 -0.635 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.833 -1.752 -1.605 1.00 0.00 H new ATOM 810 N ASN A 469 7.600 -1.272 0.613 1.00 0.00 N ATOM 811 CA ASN A 469 8.913 -1.009 1.281 1.00 0.00 C ATOM 812 C ASN A 469 8.724 0.062 2.356 1.00 0.00 C ATOM 813 O ASN A 469 7.915 0.957 2.225 1.00 0.00 O ATOM 814 CB ASN A 469 9.923 -0.526 0.241 1.00 0.00 C ATOM 815 CG ASN A 469 10.321 -1.703 -0.648 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.121 -2.846 -0.286 1.00 0.00 O ATOM 817 ND2 ASN A 469 10.881 -1.473 -1.802 1.00 0.00 N ATOM 0 H ASN A 469 7.188 -0.462 0.149 1.00 0.00 H new ATOM 0 HA ASN A 469 9.283 -1.924 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.490 0.272 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.803 -0.112 0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.152 -2.252 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 469 11.049 -0.514 -2.105 1.00 0.00 H new ATOM 824 N SER A 470 9.459 -0.039 3.427 1.00 0.00 N ATOM 825 CA SER A 470 9.322 0.950 4.534 1.00 0.00 C ATOM 826 C SER A 470 9.750 2.345 4.069 1.00 0.00 C ATOM 827 O SER A 470 10.707 2.506 3.340 1.00 0.00 O ATOM 828 CB SER A 470 10.208 0.511 5.696 1.00 0.00 C ATOM 829 OG SER A 470 10.151 1.490 6.724 1.00 0.00 O ATOM 0 H SER A 470 10.154 -0.769 3.585 1.00 0.00 H new ATOM 0 HA SER A 470 8.279 0.994 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 470 9.875 -0.454 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 470 11.236 0.382 5.357 1.00 0.00 H new ATOM 0 HG SER A 470 10.718 1.211 7.473 1.00 0.00 H new ATOM 835 N GLY A 471 9.045 3.359 4.505 1.00 0.00 N ATOM 836 CA GLY A 471 9.399 4.757 4.118 1.00 0.00 C ATOM 837 C GLY A 471 8.657 5.161 2.842 1.00 0.00 C ATOM 838 O GLY A 471 8.311 6.310 2.655 1.00 0.00 O ATOM 0 H GLY A 471 8.233 3.276 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.143 5.441 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.475 4.837 3.961 1.00 0.00 H new ATOM 842 N ASP A 472 8.417 4.233 1.957 1.00 0.00 N ATOM 843 CA ASP A 472 7.710 4.579 0.688 1.00 0.00 C ATOM 844 C ASP A 472 6.231 4.849 0.952 1.00 0.00 C ATOM 845 O ASP A 472 5.619 4.257 1.818 1.00 0.00 O ATOM 846 CB ASP A 472 7.848 3.427 -0.310 1.00 0.00 C ATOM 847 CG ASP A 472 9.281 3.386 -0.846 1.00 0.00 C ATOM 848 OD1 ASP A 472 9.999 4.351 -0.640 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.635 2.392 -1.457 1.00 0.00 O ATOM 0 H ASP A 472 8.678 3.252 2.056 1.00 0.00 H new ATOM 0 HA ASP A 472 8.162 5.480 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.602 2.481 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.144 3.558 -1.132 1.00 0.00 H new ATOM 854 N GLN A 473 5.654 5.745 0.195 1.00 0.00 N ATOM 855 CA GLN A 473 4.210 6.072 0.371 1.00 0.00 C ATOM 856 C GLN A 473 3.373 5.077 -0.432 1.00 0.00 C ATOM 857 O GLN A 473 3.764 4.650 -1.498 1.00 0.00 O ATOM 858 CB GLN A 473 3.954 7.488 -0.151 1.00 0.00 C ATOM 859 CG GLN A 473 2.491 7.866 0.081 1.00 0.00 C ATOM 860 CD GLN A 473 2.254 9.298 -0.400 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.191 10.049 -0.590 1.00 0.00 O ATOM 862 NE2 GLN A 473 1.034 9.709 -0.608 1.00 0.00 N ATOM 0 H GLN A 473 6.126 6.268 -0.543 1.00 0.00 H new ATOM 0 HA GLN A 473 3.939 6.013 1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.608 8.197 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.190 7.542 -1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.837 7.178 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.245 7.781 1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.249 9.078 -0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.865 10.662 -0.931 1.00 0.00 H new ATOM 871 N VAL A 474 2.226 4.700 0.079 1.00 0.00 N ATOM 872 CA VAL A 474 1.351 3.718 -0.641 1.00 0.00 C ATOM 873 C VAL A 474 0.008 4.367 -0.971 1.00 0.00 C ATOM 874 O VAL A 474 -0.617 4.994 -0.142 1.00 0.00 O ATOM 875 CB VAL A 474 1.121 2.498 0.258 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.047 1.592 -0.351 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.431 1.720 0.392 1.00 0.00 C ATOM 0 H VAL A 474 1.855 5.032 0.969 1.00 0.00 H new ATOM 0 HA VAL A 474 1.836 3.409 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 474 0.787 2.831 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -0.109 0.728 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.886 2.147 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.371 1.255 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.274 0.851 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 474 2.762 1.392 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.192 2.363 0.835 1.00 0.00 H new ATOM 887 N GLU A 475 -0.437 4.211 -2.189 1.00 0.00 N ATOM 888 CA GLU A 475 -1.743 4.802 -2.606 1.00 0.00 C ATOM 889 C GLU A 475 -2.469 3.801 -3.490 1.00 0.00 C ATOM 890 O GLU A 475 -1.918 3.280 -4.438 1.00 0.00 O ATOM 891 CB GLU A 475 -1.488 6.095 -3.383 1.00 0.00 C ATOM 892 CG GLU A 475 -2.819 6.728 -3.783 1.00 0.00 C ATOM 893 CD GLU A 475 -2.557 8.055 -4.497 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.414 8.304 -4.842 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.504 8.801 -4.688 1.00 0.00 O ATOM 0 H GLU A 475 0.053 3.695 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.352 5.028 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.913 6.790 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.893 5.885 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.373 6.054 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.436 6.893 -2.900 1.00 0.00 H new ATOM 902 N VAL A 476 -3.705 3.513 -3.174 1.00 0.00 N ATOM 903 CA VAL A 476 -4.486 2.529 -3.976 1.00 0.00 C ATOM 904 C VAL A 476 -5.518 3.258 -4.838 1.00 0.00 C ATOM 905 O VAL A 476 -6.281 4.071 -4.357 1.00 0.00 O ATOM 906 CB VAL A 476 -5.199 1.562 -3.027 1.00 0.00 C ATOM 907 CG1 VAL A 476 -5.586 0.302 -3.791 1.00 0.00 C ATOM 908 CG2 VAL A 476 -4.257 1.186 -1.880 1.00 0.00 C ATOM 0 H VAL A 476 -4.210 3.922 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.810 1.975 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.093 2.039 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -6.094 -0.389 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.252 0.565 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.689 -0.172 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.764 0.498 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -3.365 0.707 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.971 2.085 -1.335 1.00 0.00 H new ATOM 918 N LEU A 477 -5.546 2.971 -6.113 1.00 0.00 N ATOM 919 CA LEU A 477 -6.526 3.643 -7.016 1.00 0.00 C ATOM 920 C LEU A 477 -7.750 2.741 -7.183 1.00 0.00 C ATOM 921 O LEU A 477 -7.743 1.799 -7.948 1.00 0.00 O ATOM 922 CB LEU A 477 -5.867 3.873 -8.378 1.00 0.00 C ATOM 923 CG LEU A 477 -4.579 4.685 -8.194 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.894 4.864 -9.551 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.906 6.065 -7.596 1.00 0.00 C ATOM 0 H LEU A 477 -4.930 2.298 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.834 4.599 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.642 2.917 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.552 4.403 -9.040 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.914 4.153 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.978 5.441 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.652 3.887 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -4.564 5.392 -10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.985 6.634 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -5.575 6.603 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -5.389 5.937 -6.628 1.00 0.00 H new ATOM 937 N SER A 478 -8.802 3.026 -6.465 1.00 0.00 N ATOM 938 CA SER A 478 -10.034 2.191 -6.566 1.00 0.00 C ATOM 939 C SER A 478 -10.888 2.658 -7.746 1.00 0.00 C ATOM 940 O SER A 478 -10.684 3.722 -8.295 1.00 0.00 O ATOM 941 CB SER A 478 -10.832 2.324 -5.270 1.00 0.00 C ATOM 942 OG SER A 478 -10.964 3.701 -4.943 1.00 0.00 O ATOM 0 H SER A 478 -8.862 3.805 -5.809 1.00 0.00 H new ATOM 0 HA SER A 478 -9.755 1.149 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 478 -11.816 1.869 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 478 -10.329 1.793 -4.462 1.00 0.00 H new ATOM 0 HG SER A 478 -11.716 3.820 -4.325 1.00 0.00 H new