USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 411 MET CE :methyl 140:sc= -2.65! (180deg=-4.57!) USER MOD Single : A 413 LYS NZ :NH3+ -173:sc= -5.84! (180deg=-6.16!) USER MOD Single : A 415 GLN :FLIP amide:sc= -0.551 F(o=-2.9,f=-0.55) USER MOD Single : A 417 GLN :FLIP amide:sc= -2.23! C(o=-3!,f=-2.2!) USER MOD Single : A 418 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.59) USER MOD Single : A 420 TYR OH : rot 180:sc= 0.997 USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 THR OG1 : rot 49:sc= 1.05 USER MOD Single : A 425 THR OG1 : rot -26:sc= 0.376 USER MOD Single : A 429 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.052) USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 GLN : amide:sc= -2! C(o=-2!,f=-10!) USER MOD Single : A 443 ASN :FLIP amide:sc= -0.678! F(o=-1.8,f=-0.68!) USER MOD Single : A 447 GLN : amide:sc= -5.69! C(o=-5.7!,f=-8.2!) USER MOD Single : A 453 MET CE :methyl 143:sc= -3.87! (180deg=-6.42!) USER MOD Single : A 456 LYS NZ :NH3+ -160:sc= 0.285 (180deg=0.0298) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 476 ASN :FLIP amide:sc= -0.38 F(o=-1.1,f=-0.38) USER MOD Single : A 478 THR OG1 : rot -88:sc= -0.693 USER MOD ----------------------------------------------------------------- ATOM 82 N PRO A 407 -1.358 -5.844 -10.419 1.00 0.00 N ATOM 83 CA PRO A 407 -0.860 -6.110 -11.758 1.00 0.00 C ATOM 84 C PRO A 407 -1.823 -7.015 -12.531 1.00 0.00 C ATOM 85 O PRO A 407 -2.304 -8.013 -11.998 1.00 0.00 O ATOM 86 CB PRO A 407 0.508 -6.738 -11.551 1.00 0.00 C ATOM 87 CG PRO A 407 0.531 -7.225 -10.112 1.00 0.00 C ATOM 88 CD PRO A 407 -0.644 -6.589 -9.387 1.00 0.00 C ATOM 0 HA PRO A 407 -0.782 -5.208 -12.365 1.00 0.00 H new ATOM 0 HB2 PRO A 407 0.668 -7.563 -12.245 1.00 0.00 H new ATOM 0 HB3 PRO A 407 1.302 -6.013 -11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 407 0.459 -8.312 -10.075 1.00 0.00 H new ATOM 0 HG3 PRO A 407 1.470 -6.951 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 407 -1.283 -7.345 -8.930 1.00 0.00 H new ATOM 0 HD3 PRO A 407 -0.306 -5.931 -8.586 1.00 0.00 H new ATOM 96 N PRO A 408 -2.080 -6.623 -13.807 1.00 0.00 N ATOM 97 CA PRO A 408 -2.976 -7.387 -14.658 1.00 0.00 C ATOM 98 C PRO A 408 -2.303 -8.669 -15.151 1.00 0.00 C ATOM 99 O PRO A 408 -1.115 -8.668 -15.469 1.00 0.00 O ATOM 100 CB PRO A 408 -3.349 -6.440 -15.787 1.00 0.00 C ATOM 101 CG PRO A 408 -2.293 -5.347 -15.781 1.00 0.00 C ATOM 102 CD PRO A 408 -1.528 -5.446 -14.471 1.00 0.00 C ATOM 0 HA PRO A 408 -3.867 -7.728 -14.131 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.366 -6.961 -16.744 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -4.344 -6.022 -15.634 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.617 -5.465 -16.628 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -2.758 -4.366 -15.878 1.00 0.00 H new ATOM 0 HD2 PRO A 408 -0.458 -5.555 -14.645 1.00 0.00 H new ATOM 0 HD3 PRO A 408 -1.663 -4.550 -13.865 1.00 0.00 H new ATOM 110 N GLY A 409 -3.092 -9.733 -15.200 1.00 0.00 N ATOM 111 CA GLY A 409 -2.587 -11.019 -15.648 1.00 0.00 C ATOM 112 C GLY A 409 -1.988 -11.810 -14.484 1.00 0.00 C ATOM 113 O GLY A 409 -1.830 -13.027 -14.571 1.00 0.00 O ATOM 0 H GLY A 409 -4.077 -9.730 -14.937 1.00 0.00 H new ATOM 0 HA2 GLY A 409 -3.395 -11.592 -16.104 1.00 0.00 H new ATOM 0 HA3 GLY A 409 -1.830 -10.868 -16.417 1.00 0.00 H new ATOM 117 N PHE A 410 -1.670 -11.086 -13.420 1.00 0.00 N ATOM 118 CA PHE A 410 -1.092 -11.705 -12.239 1.00 0.00 C ATOM 119 C PHE A 410 -1.708 -13.082 -11.984 1.00 0.00 C ATOM 120 O PHE A 410 -2.857 -13.329 -12.349 1.00 0.00 O ATOM 121 CB PHE A 410 -1.408 -10.790 -11.055 1.00 0.00 C ATOM 122 CG PHE A 410 -1.307 -11.479 -9.692 1.00 0.00 C ATOM 123 CD1 PHE A 410 -0.088 -11.715 -9.138 1.00 0.00 C ATOM 124 CD2 PHE A 410 -2.437 -11.855 -9.035 1.00 0.00 C ATOM 125 CE1 PHE A 410 0.006 -12.354 -7.874 1.00 0.00 C ATOM 126 CE2 PHE A 410 -2.343 -12.494 -7.770 1.00 0.00 C ATOM 127 CZ PHE A 410 -1.124 -12.730 -7.217 1.00 0.00 C ATOM 0 H PHE A 410 -1.802 -10.077 -13.351 1.00 0.00 H new ATOM 0 HA PHE A 410 -0.019 -11.837 -12.376 1.00 0.00 H new ATOM 0 HB2 PHE A 410 -0.725 -9.941 -11.073 1.00 0.00 H new ATOM 0 HB3 PHE A 410 -2.415 -10.392 -11.176 1.00 0.00 H new ATOM 0 HD1 PHE A 410 0.809 -11.416 -9.660 1.00 0.00 H new ATOM 0 HD2 PHE A 410 -3.405 -11.668 -9.475 1.00 0.00 H new ATOM 0 HE1 PHE A 410 0.974 -12.542 -7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 410 -3.240 -12.792 -7.248 1.00 0.00 H new ATOM 0 HZ PHE A 410 -1.053 -13.216 -6.255 1.00 0.00 H new ATOM 137 N MET A 411 -0.917 -13.942 -11.360 1.00 0.00 N ATOM 138 CA MET A 411 -1.371 -15.288 -11.052 1.00 0.00 C ATOM 139 C MET A 411 -1.562 -15.470 -9.545 1.00 0.00 C ATOM 140 O MET A 411 -2.691 -15.534 -9.062 1.00 0.00 O ATOM 141 CB MET A 411 -0.345 -16.302 -11.563 1.00 0.00 C ATOM 142 CG MET A 411 -0.160 -16.178 -13.077 1.00 0.00 C ATOM 143 SD MET A 411 0.722 -17.599 -13.702 1.00 0.00 S ATOM 144 CE MET A 411 1.951 -16.784 -14.707 1.00 0.00 C ATOM 0 H MET A 411 0.035 -13.733 -11.059 1.00 0.00 H new ATOM 0 HA MET A 411 -2.331 -15.450 -11.543 1.00 0.00 H new ATOM 0 HB2 MET A 411 0.610 -16.143 -11.062 1.00 0.00 H new ATOM 0 HB3 MET A 411 -0.671 -17.312 -11.314 1.00 0.00 H new ATOM 0 HG2 MET A 411 -1.131 -16.099 -13.565 1.00 0.00 H new ATOM 0 HG3 MET A 411 0.390 -15.266 -13.311 1.00 0.00 H new ATOM 0 HE1 MET A 411 2.909 -17.293 -14.595 1.00 0.00 H new ATOM 0 HE2 MET A 411 1.645 -16.814 -15.753 1.00 0.00 H new ATOM 0 HE3 MET A 411 2.052 -15.746 -14.389 1.00 0.00 H new ATOM 154 N PHE A 412 -0.440 -15.549 -8.844 1.00 0.00 N ATOM 155 CA PHE A 412 -0.470 -15.723 -7.401 1.00 0.00 C ATOM 156 C PHE A 412 0.882 -15.370 -6.778 1.00 0.00 C ATOM 157 O PHE A 412 1.826 -15.028 -7.489 1.00 0.00 O ATOM 158 CB PHE A 412 -0.771 -17.199 -7.135 1.00 0.00 C ATOM 159 CG PHE A 412 0.056 -18.166 -7.985 1.00 0.00 C ATOM 160 CD1 PHE A 412 1.362 -18.391 -7.682 1.00 0.00 C ATOM 161 CD2 PHE A 412 -0.516 -18.800 -9.044 1.00 0.00 C ATOM 162 CE1 PHE A 412 2.130 -19.288 -8.471 1.00 0.00 C ATOM 163 CE2 PHE A 412 0.251 -19.697 -9.833 1.00 0.00 C ATOM 164 CZ PHE A 412 1.558 -19.922 -9.530 1.00 0.00 C ATOM 0 H PHE A 412 0.495 -15.496 -9.248 1.00 0.00 H new ATOM 0 HA PHE A 412 -1.224 -15.069 -6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -0.590 -17.412 -6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -1.829 -17.382 -7.320 1.00 0.00 H new ATOM 0 HD1 PHE A 412 1.816 -17.888 -6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -1.554 -18.621 -9.284 1.00 0.00 H new ATOM 0 HE1 PHE A 412 3.168 -19.467 -8.230 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -0.203 -20.201 -10.674 1.00 0.00 H new ATOM 0 HZ PHE A 412 2.142 -20.604 -10.130 1.00 0.00 H new ATOM 174 N LYS A 413 0.932 -15.464 -5.458 1.00 0.00 N ATOM 175 CA LYS A 413 2.152 -15.159 -4.731 1.00 0.00 C ATOM 176 C LYS A 413 2.936 -16.451 -4.493 1.00 0.00 C ATOM 177 O LYS A 413 2.346 -17.505 -4.257 1.00 0.00 O ATOM 178 CB LYS A 413 1.834 -14.388 -3.449 1.00 0.00 C ATOM 179 CG LYS A 413 2.999 -13.480 -3.051 1.00 0.00 C ATOM 180 CD LYS A 413 3.321 -13.621 -1.562 1.00 0.00 C ATOM 181 CE LYS A 413 4.320 -14.755 -1.322 1.00 0.00 C ATOM 182 NZ LYS A 413 4.140 -15.326 0.032 1.00 0.00 N ATOM 0 H LYS A 413 0.146 -15.747 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 413 2.791 -14.502 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 413 0.935 -13.789 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 413 1.623 -15.089 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 413 3.879 -13.732 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 413 2.750 -12.443 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 413 3.731 -12.684 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 413 2.404 -13.815 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 413 4.183 -15.533 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 413 5.338 -14.381 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 4.899 -16.011 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 4.176 -14.563 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 3.219 -15.806 0.087 1.00 0.00 H new ATOM 196 N VAL A 414 4.253 -16.329 -4.564 1.00 0.00 N ATOM 197 CA VAL A 414 5.124 -17.474 -4.360 1.00 0.00 C ATOM 198 C VAL A 414 6.126 -17.155 -3.249 1.00 0.00 C ATOM 199 O VAL A 414 6.281 -15.998 -2.861 1.00 0.00 O ATOM 200 CB VAL A 414 5.796 -17.863 -5.678 1.00 0.00 C ATOM 201 CG1 VAL A 414 4.800 -17.807 -6.838 1.00 0.00 C ATOM 202 CG2 VAL A 414 7.011 -16.976 -5.956 1.00 0.00 C ATOM 0 H VAL A 414 4.739 -15.454 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 414 4.546 -18.340 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 414 6.146 -18.891 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 414 5.303 -18.088 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 414 3.979 -18.498 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 414 4.407 -16.795 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 414 7.470 -17.273 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 414 6.695 -15.935 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 414 7.735 -17.087 -5.149 1.00 0.00 H new ATOM 212 N GLN A 415 6.781 -18.201 -2.768 1.00 0.00 N ATOM 213 CA GLN A 415 7.765 -18.047 -1.709 1.00 0.00 C ATOM 214 C GLN A 415 9.043 -18.812 -2.057 1.00 0.00 C ATOM 215 O GLN A 415 9.017 -20.031 -2.221 1.00 0.00 O ATOM 216 CB GLN A 415 7.199 -18.507 -0.364 1.00 0.00 C ATOM 217 CG GLN A 415 8.268 -18.451 0.728 1.00 0.00 C ATOM 218 CD GLN A 415 8.133 -17.175 1.562 1.00 0.00 C ATOM 219 OE1 GLN A 415 9.274 -16.511 1.723 1.00 0.00 O flip ATOM 220 NE2 GLN A 415 7.064 -16.817 2.028 1.00 0.00 N flip ATOM 0 H GLN A 415 6.650 -19.159 -3.092 1.00 0.00 H new ATOM 0 HA GLN A 415 8.012 -16.989 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 415 6.356 -17.875 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 415 6.819 -19.525 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 415 8.178 -19.324 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 415 9.259 -18.491 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 415 6.225 -17.374 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 415 7.009 -15.961 2.579 1.00 0.00 H new ATOM 229 N ALA A 416 10.133 -18.065 -2.160 1.00 0.00 N ATOM 230 CA ALA A 416 11.419 -18.658 -2.485 1.00 0.00 C ATOM 231 C ALA A 416 11.860 -19.570 -1.339 1.00 0.00 C ATOM 232 O ALA A 416 11.428 -19.394 -0.200 1.00 0.00 O ATOM 233 CB ALA A 416 12.434 -17.550 -2.772 1.00 0.00 C ATOM 0 H ALA A 416 10.152 -17.054 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 416 11.343 -19.271 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 416 13.399 -17.995 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.088 -16.949 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 416 12.539 -16.916 -1.892 1.00 0.00 H new ATOM 239 N GLN A 417 12.714 -20.524 -1.679 1.00 0.00 N ATOM 240 CA GLN A 417 13.218 -21.464 -0.692 1.00 0.00 C ATOM 241 C GLN A 417 14.748 -21.480 -0.708 1.00 0.00 C ATOM 242 O GLN A 417 15.372 -22.231 0.040 1.00 0.00 O ATOM 243 CB GLN A 417 12.652 -22.865 -0.930 1.00 0.00 C ATOM 244 CG GLN A 417 11.216 -22.795 -1.453 1.00 0.00 C ATOM 245 CD GLN A 417 10.573 -24.183 -1.477 1.00 0.00 C ATOM 246 OE1 GLN A 417 10.192 -24.581 -2.687 1.00 0.00 O flip ATOM 247 NE2 GLN A 417 10.432 -24.848 -0.464 1.00 0.00 N flip ATOM 0 H GLN A 417 13.070 -20.666 -2.624 1.00 0.00 H new ATOM 0 HA GLN A 417 12.888 -21.138 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 417 13.278 -23.397 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 417 12.677 -23.434 -0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 417 10.628 -22.129 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 417 11.211 -22.371 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 417 10.747 -24.482 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 417 9.999 -25.770 -0.515 1.00 0.00 H new ATOM 256 N HIS A 418 15.308 -20.643 -1.568 1.00 0.00 N ATOM 257 CA HIS A 418 16.753 -20.552 -1.692 1.00 0.00 C ATOM 258 C HIS A 418 17.147 -19.122 -2.067 1.00 0.00 C ATOM 259 O HIS A 418 16.291 -18.307 -2.407 1.00 0.00 O ATOM 260 CB HIS A 418 17.280 -21.592 -2.682 1.00 0.00 C ATOM 261 CG HIS A 418 17.087 -23.021 -2.234 1.00 0.00 C ATOM 262 ND1 HIS A 418 18.044 -23.717 -1.516 1.00 0.00 N ATOM 263 CD2 HIS A 418 16.038 -23.875 -2.408 1.00 0.00 C ATOM 264 CE1 HIS A 418 17.581 -24.935 -1.275 1.00 0.00 C ATOM 265 NE2 HIS A 418 16.339 -25.031 -1.829 1.00 0.00 N ATOM 0 H HIS A 418 14.787 -20.021 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 418 17.219 -20.780 -0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 418 16.780 -21.452 -3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 418 18.343 -21.415 -2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 418 15.119 -23.649 -2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 418 18.097 -25.715 -0.735 1.00 0.00 H new ATOM 0 HE2 HIS A 418 15.739 -25.856 -1.803 1.00 0.00 H new ATOM 273 N ASP A 419 18.444 -18.861 -1.993 1.00 0.00 N ATOM 274 CA ASP A 419 18.962 -17.544 -2.321 1.00 0.00 C ATOM 275 C ASP A 419 19.683 -17.605 -3.669 1.00 0.00 C ATOM 276 O ASP A 419 20.812 -18.086 -3.753 1.00 0.00 O ATOM 277 CB ASP A 419 19.967 -17.070 -1.269 1.00 0.00 C ATOM 278 CG ASP A 419 21.089 -18.061 -0.954 1.00 0.00 C ATOM 279 OD1 ASP A 419 20.769 -19.108 -0.351 1.00 0.00 O ATOM 280 OD2 ASP A 419 22.242 -17.749 -1.323 1.00 0.00 O ATOM 0 H ASP A 419 19.151 -19.539 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 419 18.122 -16.851 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 419 20.413 -16.136 -1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 419 19.429 -16.849 -0.347 1.00 0.00 H new ATOM 285 N TYR A 420 19.000 -17.111 -4.692 1.00 0.00 N ATOM 286 CA TYR A 420 19.561 -17.103 -6.032 1.00 0.00 C ATOM 287 C TYR A 420 19.886 -15.677 -6.482 1.00 0.00 C ATOM 288 O TYR A 420 18.989 -14.915 -6.838 1.00 0.00 O ATOM 289 CB TYR A 420 18.477 -17.679 -6.946 1.00 0.00 C ATOM 290 CG TYR A 420 18.487 -17.102 -8.363 1.00 0.00 C ATOM 291 CD1 TYR A 420 19.551 -17.357 -9.204 1.00 0.00 C ATOM 292 CD2 TYR A 420 17.433 -16.326 -8.800 1.00 0.00 C ATOM 293 CE1 TYR A 420 19.560 -16.814 -10.538 1.00 0.00 C ATOM 294 CE2 TYR A 420 17.442 -15.784 -10.133 1.00 0.00 C ATOM 295 CZ TYR A 420 18.505 -16.054 -10.937 1.00 0.00 C ATOM 296 OH TYR A 420 18.514 -15.542 -12.196 1.00 0.00 O ATOM 0 H TYR A 420 18.063 -16.714 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 420 20.486 -17.679 -6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 420 18.602 -18.760 -7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 420 17.501 -17.495 -6.496 1.00 0.00 H new ATOM 0 HD1 TYR A 420 20.377 -17.963 -8.862 1.00 0.00 H new ATOM 0 HD2 TYR A 420 16.601 -16.125 -8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 420 20.386 -17.006 -11.207 1.00 0.00 H new ATOM 0 HE2 TYR A 420 16.623 -15.176 -10.487 1.00 0.00 H new ATOM 0 HH TYR A 420 17.697 -15.021 -12.343 1.00 0.00 H new ATOM 306 N THR A 421 21.173 -15.360 -6.452 1.00 0.00 N ATOM 307 CA THR A 421 21.627 -14.040 -6.852 1.00 0.00 C ATOM 308 C THR A 421 21.609 -13.909 -8.376 1.00 0.00 C ATOM 309 O THR A 421 22.379 -14.572 -9.069 1.00 0.00 O ATOM 310 CB THR A 421 23.010 -13.810 -6.239 1.00 0.00 C ATOM 311 OG1 THR A 421 22.733 -13.320 -4.930 1.00 0.00 O ATOM 312 CG2 THR A 421 23.767 -12.664 -6.914 1.00 0.00 C ATOM 0 H THR A 421 21.915 -15.995 -6.157 1.00 0.00 H new ATOM 0 HA THR A 421 20.958 -13.263 -6.482 1.00 0.00 H new ATOM 0 HB THR A 421 23.596 -14.726 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 421 23.576 -13.146 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 421 24.742 -12.543 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 421 23.902 -12.891 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 421 23.197 -11.741 -6.811 1.00 0.00 H new ATOM 320 N ALA A 422 20.721 -13.049 -8.854 1.00 0.00 N ATOM 321 CA ALA A 422 20.593 -12.823 -10.283 1.00 0.00 C ATOM 322 C ALA A 422 21.027 -11.392 -10.610 1.00 0.00 C ATOM 323 O ALA A 422 20.426 -10.432 -10.131 1.00 0.00 O ATOM 324 CB ALA A 422 19.154 -13.108 -10.718 1.00 0.00 C ATOM 0 H ALA A 422 20.084 -12.501 -8.277 1.00 0.00 H new ATOM 0 HA ALA A 422 21.242 -13.500 -10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 422 19.058 -12.938 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 422 18.904 -14.144 -10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 422 18.474 -12.445 -10.183 1.00 0.00 H new ATOM 330 N THR A 423 22.068 -11.296 -11.424 1.00 0.00 N ATOM 331 CA THR A 423 22.591 -9.999 -11.820 1.00 0.00 C ATOM 332 C THR A 423 22.460 -9.811 -13.333 1.00 0.00 C ATOM 333 O THR A 423 23.320 -10.251 -14.094 1.00 0.00 O ATOM 334 CB THR A 423 24.032 -9.896 -11.318 1.00 0.00 C ATOM 335 OG1 THR A 423 24.741 -10.855 -12.099 1.00 0.00 O ATOM 336 CG2 THR A 423 24.189 -10.398 -9.881 1.00 0.00 C ATOM 0 H THR A 423 22.563 -12.095 -11.820 1.00 0.00 H new ATOM 0 HA THR A 423 22.017 -9.188 -11.372 1.00 0.00 H new ATOM 0 HB THR A 423 24.364 -8.860 -11.379 1.00 0.00 H new ATOM 0 HG1 THR A 423 24.524 -10.730 -13.047 1.00 0.00 H new ATOM 0 HG21 THR A 423 25.231 -10.303 -9.574 1.00 0.00 H new ATOM 0 HG22 THR A 423 23.560 -9.805 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 423 23.889 -11.444 -9.826 1.00 0.00 H new ATOM 344 N ASP A 424 21.376 -9.157 -13.724 1.00 0.00 N ATOM 345 CA ASP A 424 21.121 -8.906 -15.132 1.00 0.00 C ATOM 346 C ASP A 424 20.537 -7.501 -15.297 1.00 0.00 C ATOM 347 O ASP A 424 20.428 -6.752 -14.327 1.00 0.00 O ATOM 348 CB ASP A 424 20.111 -9.907 -15.696 1.00 0.00 C ATOM 349 CG ASP A 424 20.289 -10.239 -17.179 1.00 0.00 C ATOM 350 OD1 ASP A 424 21.448 -10.500 -17.567 1.00 0.00 O ATOM 351 OD2 ASP A 424 19.262 -10.224 -17.891 1.00 0.00 O ATOM 0 H ASP A 424 20.664 -8.793 -13.090 1.00 0.00 H new ATOM 0 HA ASP A 424 22.065 -9.005 -15.669 1.00 0.00 H new ATOM 0 HB2 ASP A 424 20.178 -10.831 -15.122 1.00 0.00 H new ATOM 0 HB3 ASP A 424 19.107 -9.511 -15.546 1.00 0.00 H new ATOM 356 N THR A 425 20.178 -7.186 -16.533 1.00 0.00 N ATOM 357 CA THR A 425 19.608 -5.884 -16.837 1.00 0.00 C ATOM 358 C THR A 425 18.115 -5.865 -16.506 1.00 0.00 C ATOM 359 O THR A 425 17.460 -4.832 -16.636 1.00 0.00 O ATOM 360 CB THR A 425 19.909 -5.568 -18.304 1.00 0.00 C ATOM 361 OG1 THR A 425 19.563 -4.192 -18.440 1.00 0.00 O ATOM 362 CG2 THR A 425 18.961 -6.288 -19.265 1.00 0.00 C ATOM 0 H THR A 425 20.271 -7.809 -17.335 1.00 0.00 H new ATOM 0 HA THR A 425 20.055 -5.103 -16.222 1.00 0.00 H new ATOM 0 HB THR A 425 20.937 -5.848 -18.532 1.00 0.00 H new ATOM 0 HG1 THR A 425 18.880 -3.959 -17.777 1.00 0.00 H new ATOM 0 HG21 THR A 425 19.218 -6.029 -20.292 1.00 0.00 H new ATOM 0 HG22 THR A 425 19.054 -7.365 -19.128 1.00 0.00 H new ATOM 0 HG23 THR A 425 17.935 -5.983 -19.060 1.00 0.00 H new ATOM 370 N ASP A 426 17.620 -7.019 -16.084 1.00 0.00 N ATOM 371 CA ASP A 426 16.216 -7.148 -15.733 1.00 0.00 C ATOM 372 C ASP A 426 15.978 -8.518 -15.095 1.00 0.00 C ATOM 373 O ASP A 426 15.013 -9.204 -15.431 1.00 0.00 O ATOM 374 CB ASP A 426 15.326 -7.042 -16.973 1.00 0.00 C ATOM 375 CG ASP A 426 15.039 -5.615 -17.443 1.00 0.00 C ATOM 376 OD1 ASP A 426 14.151 -4.983 -16.830 1.00 0.00 O ATOM 377 OD2 ASP A 426 15.713 -5.188 -18.405 1.00 0.00 O ATOM 0 H ASP A 426 18.166 -7.874 -15.977 1.00 0.00 H new ATOM 0 HA ASP A 426 15.966 -6.344 -15.041 1.00 0.00 H new ATOM 0 HB2 ASP A 426 15.799 -7.589 -17.789 1.00 0.00 H new ATOM 0 HB3 ASP A 426 14.378 -7.537 -16.764 1.00 0.00 H new ATOM 382 N GLU A 427 16.873 -8.876 -14.187 1.00 0.00 N ATOM 383 CA GLU A 427 16.772 -10.152 -13.499 1.00 0.00 C ATOM 384 C GLU A 427 15.994 -9.991 -12.192 1.00 0.00 C ATOM 385 O GLU A 427 15.708 -8.871 -11.770 1.00 0.00 O ATOM 386 CB GLU A 427 18.158 -10.747 -13.242 1.00 0.00 C ATOM 387 CG GLU A 427 18.326 -12.081 -13.973 1.00 0.00 C ATOM 388 CD GLU A 427 17.119 -12.991 -13.737 1.00 0.00 C ATOM 389 OE1 GLU A 427 17.014 -13.512 -12.606 1.00 0.00 O ATOM 390 OE2 GLU A 427 16.330 -13.146 -14.694 1.00 0.00 O ATOM 0 H GLU A 427 17.672 -8.305 -13.911 1.00 0.00 H new ATOM 0 HA GLU A 427 16.227 -10.846 -14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 427 18.925 -10.047 -13.574 1.00 0.00 H new ATOM 0 HB3 GLU A 427 18.302 -10.894 -12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 427 18.447 -11.902 -15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 427 19.233 -12.577 -13.628 1.00 0.00 H new ATOM 397 N LEU A 428 15.673 -11.125 -11.588 1.00 0.00 N ATOM 398 CA LEU A 428 14.933 -11.124 -10.337 1.00 0.00 C ATOM 399 C LEU A 428 15.753 -11.842 -9.263 1.00 0.00 C ATOM 400 O LEU A 428 15.981 -13.047 -9.353 1.00 0.00 O ATOM 401 CB LEU A 428 13.536 -11.714 -10.540 1.00 0.00 C ATOM 402 CG LEU A 428 12.425 -11.122 -9.670 1.00 0.00 C ATOM 403 CD1 LEU A 428 12.039 -9.722 -10.151 1.00 0.00 C ATOM 404 CD2 LEU A 428 11.218 -12.060 -9.609 1.00 0.00 C ATOM 0 H LEU A 428 15.912 -12.052 -11.941 1.00 0.00 H new ATOM 0 HA LEU A 428 14.776 -10.103 -9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 428 13.258 -11.587 -11.586 1.00 0.00 H new ATOM 0 HB3 LEU A 428 13.585 -12.786 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 428 12.805 -11.020 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 428 11.248 -9.324 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 428 12.909 -9.067 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 428 11.685 -9.776 -11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 428 10.443 -11.616 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 428 10.828 -12.217 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 428 11.522 -13.017 -9.184 1.00 0.00 H new ATOM 416 N GLN A 429 16.175 -11.070 -8.272 1.00 0.00 N ATOM 417 CA GLN A 429 16.965 -11.617 -7.182 1.00 0.00 C ATOM 418 C GLN A 429 16.050 -12.202 -6.105 1.00 0.00 C ATOM 419 O GLN A 429 15.169 -11.513 -5.592 1.00 0.00 O ATOM 420 CB GLN A 429 17.897 -10.556 -6.593 1.00 0.00 C ATOM 421 CG GLN A 429 19.073 -11.204 -5.861 1.00 0.00 C ATOM 422 CD GLN A 429 20.304 -10.295 -5.888 1.00 0.00 C ATOM 423 OE1 GLN A 429 20.843 -9.906 -4.865 1.00 0.00 O ATOM 424 NE2 GLN A 429 20.716 -9.980 -7.112 1.00 0.00 N ATOM 0 H GLN A 429 15.985 -10.070 -8.201 1.00 0.00 H new ATOM 0 HA GLN A 429 17.587 -12.420 -7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 429 18.270 -9.912 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 429 17.341 -9.921 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 429 18.793 -11.412 -4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 429 19.313 -12.161 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 429 20.218 -10.340 -7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 429 21.530 -9.378 -7.237 1.00 0.00 H new ATOM 433 N LEU A 430 16.290 -13.468 -5.793 1.00 0.00 N ATOM 434 CA LEU A 430 15.498 -14.153 -4.786 1.00 0.00 C ATOM 435 C LEU A 430 16.395 -14.525 -3.604 1.00 0.00 C ATOM 436 O LEU A 430 17.571 -14.839 -3.787 1.00 0.00 O ATOM 437 CB LEU A 430 14.765 -15.347 -5.401 1.00 0.00 C ATOM 438 CG LEU A 430 13.528 -15.016 -6.238 1.00 0.00 C ATOM 439 CD1 LEU A 430 12.270 -14.982 -5.368 1.00 0.00 C ATOM 440 CD2 LEU A 430 13.724 -13.712 -7.014 1.00 0.00 C ATOM 0 H LEU A 430 17.021 -14.036 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 430 14.719 -13.494 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 430 15.468 -15.895 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 430 14.466 -16.018 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 430 13.390 -15.810 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 430 11.405 -14.745 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 430 12.125 -15.956 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 430 12.382 -14.221 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 430 12.830 -13.500 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 430 13.901 -12.895 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 430 14.581 -13.811 -7.681 1.00 0.00 H new ATOM 452 N LYS A 431 15.807 -14.478 -2.417 1.00 0.00 N ATOM 453 CA LYS A 431 16.539 -14.806 -1.206 1.00 0.00 C ATOM 454 C LYS A 431 15.777 -15.882 -0.431 1.00 0.00 C ATOM 455 O LYS A 431 14.575 -15.754 -0.201 1.00 0.00 O ATOM 456 CB LYS A 431 16.818 -13.542 -0.390 1.00 0.00 C ATOM 457 CG LYS A 431 15.514 -12.885 0.068 1.00 0.00 C ATOM 458 CD LYS A 431 15.015 -11.877 -0.969 1.00 0.00 C ATOM 459 CE LYS A 431 15.913 -10.639 -1.007 1.00 0.00 C ATOM 460 NZ LYS A 431 15.415 -9.609 -0.068 1.00 0.00 N ATOM 0 H LYS A 431 14.832 -14.218 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 431 17.516 -15.221 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 431 17.427 -13.793 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 431 17.393 -12.837 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 431 14.755 -13.650 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 431 15.671 -12.383 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 431 14.992 -12.344 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 431 13.993 -11.582 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 431 16.934 -10.915 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 431 15.942 -10.234 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 16.036 -8.775 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 14.448 -9.334 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 15.410 -9.993 0.898 1.00 0.00 H new ATOM 474 N ALA A 432 16.507 -16.920 -0.049 1.00 0.00 N ATOM 475 CA ALA A 432 15.915 -18.018 0.696 1.00 0.00 C ATOM 476 C ALA A 432 14.881 -17.464 1.678 1.00 0.00 C ATOM 477 O ALA A 432 15.232 -17.014 2.767 1.00 0.00 O ATOM 478 CB ALA A 432 17.018 -18.813 1.398 1.00 0.00 C ATOM 0 H ALA A 432 17.503 -17.024 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 432 15.398 -18.702 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 432 16.574 -19.637 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 432 17.709 -19.210 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 432 17.558 -18.159 2.083 1.00 0.00 H new ATOM 484 N GLY A 433 13.625 -17.514 1.256 1.00 0.00 N ATOM 485 CA GLY A 433 12.538 -17.023 2.085 1.00 0.00 C ATOM 486 C GLY A 433 12.070 -15.644 1.615 1.00 0.00 C ATOM 487 O GLY A 433 11.910 -14.730 2.422 1.00 0.00 O ATOM 0 H GLY A 433 13.337 -17.887 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 433 11.705 -17.725 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 433 12.865 -16.966 3.123 1.00 0.00 H new ATOM 491 N ASP A 434 11.864 -15.537 0.310 1.00 0.00 N ATOM 492 CA ASP A 434 11.418 -14.285 -0.277 1.00 0.00 C ATOM 493 C ASP A 434 9.986 -14.449 -0.789 1.00 0.00 C ATOM 494 O ASP A 434 9.481 -15.566 -0.886 1.00 0.00 O ATOM 495 CB ASP A 434 12.301 -13.887 -1.462 1.00 0.00 C ATOM 496 CG ASP A 434 11.934 -12.558 -2.124 1.00 0.00 C ATOM 497 OD1 ASP A 434 11.366 -11.705 -1.408 1.00 0.00 O ATOM 498 OD2 ASP A 434 12.230 -12.424 -3.331 1.00 0.00 O ATOM 0 H ASP A 434 11.998 -16.297 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 434 11.475 -13.513 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 434 13.336 -13.833 -1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 434 12.252 -14.675 -2.213 1.00 0.00 H new ATOM 503 N VAL A 435 9.371 -13.318 -1.103 1.00 0.00 N ATOM 504 CA VAL A 435 8.006 -13.321 -1.602 1.00 0.00 C ATOM 505 C VAL A 435 7.978 -12.704 -3.002 1.00 0.00 C ATOM 506 O VAL A 435 8.410 -11.568 -3.192 1.00 0.00 O ATOM 507 CB VAL A 435 7.085 -12.603 -0.614 1.00 0.00 C ATOM 508 CG1 VAL A 435 6.709 -13.521 0.551 1.00 0.00 C ATOM 509 CG2 VAL A 435 7.727 -11.310 -0.107 1.00 0.00 C ATOM 0 H VAL A 435 9.793 -12.393 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 435 7.634 -14.342 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 435 6.169 -12.338 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 435 6.054 -12.986 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 435 6.193 -14.401 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 435 7.612 -13.830 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 435 7.052 -10.819 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 435 8.666 -11.543 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 435 7.922 -10.646 -0.949 1.00 0.00 H new ATOM 519 N VAL A 436 7.466 -13.480 -3.946 1.00 0.00 N ATOM 520 CA VAL A 436 7.376 -13.024 -5.322 1.00 0.00 C ATOM 521 C VAL A 436 5.999 -13.382 -5.885 1.00 0.00 C ATOM 522 O VAL A 436 5.425 -14.408 -5.524 1.00 0.00 O ATOM 523 CB VAL A 436 8.528 -13.608 -6.144 1.00 0.00 C ATOM 524 CG1 VAL A 436 8.528 -13.044 -7.566 1.00 0.00 C ATOM 525 CG2 VAL A 436 9.872 -13.363 -5.455 1.00 0.00 C ATOM 0 H VAL A 436 7.109 -14.422 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 436 7.476 -11.940 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 436 8.379 -14.686 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 436 9.356 -13.475 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 436 7.587 -13.294 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 436 8.641 -11.961 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 436 10.673 -13.788 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 436 10.032 -12.291 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 436 9.869 -13.836 -4.473 1.00 0.00 H new ATOM 535 N LEU A 437 5.509 -12.516 -6.759 1.00 0.00 N ATOM 536 CA LEU A 437 4.210 -12.728 -7.375 1.00 0.00 C ATOM 537 C LEU A 437 4.405 -13.184 -8.822 1.00 0.00 C ATOM 538 O LEU A 437 5.186 -12.592 -9.564 1.00 0.00 O ATOM 539 CB LEU A 437 3.341 -11.476 -7.237 1.00 0.00 C ATOM 540 CG LEU A 437 4.061 -10.207 -6.777 1.00 0.00 C ATOM 541 CD1 LEU A 437 3.198 -8.967 -7.020 1.00 0.00 C ATOM 542 CD2 LEU A 437 4.498 -10.323 -5.315 1.00 0.00 C ATOM 0 H LEU A 437 5.988 -11.666 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 437 3.669 -13.522 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 437 2.873 -11.275 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 437 2.539 -11.691 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 437 4.965 -10.092 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 437 3.734 -8.079 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 437 2.980 -8.878 -8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.264 -9.059 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 437 5.007 -9.408 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 437 3.622 -10.475 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 437 5.176 -11.169 -5.204 1.00 0.00 H new ATOM 554 N VAL A 438 3.681 -14.235 -9.180 1.00 0.00 N ATOM 555 CA VAL A 438 3.764 -14.778 -10.525 1.00 0.00 C ATOM 556 C VAL A 438 2.867 -13.961 -11.457 1.00 0.00 C ATOM 557 O VAL A 438 1.655 -13.898 -11.260 1.00 0.00 O ATOM 558 CB VAL A 438 3.412 -16.267 -10.511 1.00 0.00 C ATOM 559 CG1 VAL A 438 3.251 -16.806 -11.934 1.00 0.00 C ATOM 560 CG2 VAL A 438 4.458 -17.070 -9.735 1.00 0.00 C ATOM 0 H VAL A 438 3.034 -14.725 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 438 4.783 -14.702 -10.905 1.00 0.00 H new ATOM 0 HB VAL A 438 2.456 -16.381 -10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 438 3.001 -17.866 -11.895 1.00 0.00 H new ATOM 0 HG12 VAL A 438 2.453 -16.263 -12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 438 4.184 -16.673 -12.481 1.00 0.00 H new ATOM 0 HG21 VAL A 438 4.184 -18.125 -9.740 1.00 0.00 H new ATOM 0 HG22 VAL A 438 5.434 -16.946 -10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 438 4.502 -16.712 -8.707 1.00 0.00 H new ATOM 570 N ILE A 439 3.498 -13.355 -12.452 1.00 0.00 N ATOM 571 CA ILE A 439 2.772 -12.544 -13.415 1.00 0.00 C ATOM 572 C ILE A 439 3.146 -12.986 -14.832 1.00 0.00 C ATOM 573 O ILE A 439 4.243 -13.495 -15.058 1.00 0.00 O ATOM 574 CB ILE A 439 3.012 -11.056 -13.152 1.00 0.00 C ATOM 575 CG1 ILE A 439 4.456 -10.667 -13.477 1.00 0.00 C ATOM 576 CG2 ILE A 439 2.628 -10.684 -11.718 1.00 0.00 C ATOM 577 CD1 ILE A 439 5.311 -10.624 -12.210 1.00 0.00 C ATOM 0 H ILE A 439 4.504 -13.409 -12.612 1.00 0.00 H new ATOM 0 HA ILE A 439 1.698 -12.694 -13.306 1.00 0.00 H new ATOM 0 HB ILE A 439 2.366 -10.483 -13.818 1.00 0.00 H new ATOM 0 HG12 ILE A 439 4.879 -11.383 -14.181 1.00 0.00 H new ATOM 0 HG13 ILE A 439 4.473 -9.692 -13.964 1.00 0.00 H new ATOM 0 HG21 ILE A 439 2.808 -9.621 -11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 439 1.572 -10.902 -11.556 1.00 0.00 H new ATOM 0 HG23 ILE A 439 3.230 -11.264 -11.018 1.00 0.00 H new ATOM 0 HD11 ILE A 439 6.332 -10.345 -12.470 1.00 0.00 H new ATOM 0 HD12 ILE A 439 4.899 -9.890 -11.518 1.00 0.00 H new ATOM 0 HD13 ILE A 439 5.312 -11.607 -11.738 1.00 0.00 H new ATOM 589 N PRO A 440 2.188 -12.769 -15.773 1.00 0.00 N ATOM 590 CA PRO A 440 2.406 -13.139 -17.161 1.00 0.00 C ATOM 591 C PRO A 440 3.353 -12.154 -17.849 1.00 0.00 C ATOM 592 O PRO A 440 3.038 -10.972 -17.979 1.00 0.00 O ATOM 593 CB PRO A 440 1.019 -13.163 -17.783 1.00 0.00 C ATOM 594 CG PRO A 440 0.129 -12.358 -16.850 1.00 0.00 C ATOM 595 CD PRO A 440 0.878 -12.169 -15.541 1.00 0.00 C ATOM 0 HA PRO A 440 2.893 -14.108 -17.267 1.00 0.00 H new ATOM 0 HB2 PRO A 440 1.032 -12.728 -18.782 1.00 0.00 H new ATOM 0 HB3 PRO A 440 0.654 -14.185 -17.885 1.00 0.00 H new ATOM 0 HG2 PRO A 440 -0.115 -11.393 -17.293 1.00 0.00 H new ATOM 0 HG3 PRO A 440 -0.814 -12.877 -16.679 1.00 0.00 H new ATOM 0 HD2 PRO A 440 0.966 -11.113 -15.284 1.00 0.00 H new ATOM 0 HD3 PRO A 440 0.360 -12.656 -14.715 1.00 0.00 H new ATOM 603 N PHE A 441 4.495 -12.677 -18.271 1.00 0.00 N ATOM 604 CA PHE A 441 5.490 -11.859 -18.942 1.00 0.00 C ATOM 605 C PHE A 441 4.918 -11.234 -20.216 1.00 0.00 C ATOM 606 O PHE A 441 3.720 -11.336 -20.477 1.00 0.00 O ATOM 607 CB PHE A 441 6.650 -12.784 -19.318 1.00 0.00 C ATOM 608 CG PHE A 441 6.212 -14.178 -19.771 1.00 0.00 C ATOM 609 CD1 PHE A 441 5.010 -14.347 -20.385 1.00 0.00 C ATOM 610 CD2 PHE A 441 7.024 -15.248 -19.561 1.00 0.00 C ATOM 611 CE1 PHE A 441 4.603 -15.641 -20.805 1.00 0.00 C ATOM 612 CE2 PHE A 441 6.618 -16.542 -19.981 1.00 0.00 C ATOM 613 CZ PHE A 441 5.416 -16.711 -20.595 1.00 0.00 C ATOM 0 H PHE A 441 4.753 -13.658 -18.161 1.00 0.00 H new ATOM 0 HA PHE A 441 5.811 -11.050 -18.285 1.00 0.00 H new ATOM 0 HB2 PHE A 441 7.228 -12.319 -20.116 1.00 0.00 H new ATOM 0 HB3 PHE A 441 7.314 -12.884 -18.460 1.00 0.00 H new ATOM 0 HD1 PHE A 441 4.365 -13.497 -20.553 1.00 0.00 H new ATOM 0 HD2 PHE A 441 7.979 -15.114 -19.074 1.00 0.00 H new ATOM 0 HE1 PHE A 441 3.648 -15.776 -21.291 1.00 0.00 H new ATOM 0 HE2 PHE A 441 7.263 -17.392 -19.813 1.00 0.00 H new ATOM 0 HZ PHE A 441 5.107 -17.695 -20.916 1.00 0.00 H new ATOM 623 N GLN A 442 5.800 -10.600 -20.974 1.00 0.00 N ATOM 624 CA GLN A 442 5.398 -9.959 -22.214 1.00 0.00 C ATOM 625 C GLN A 442 5.290 -10.993 -23.336 1.00 0.00 C ATOM 626 O GLN A 442 4.544 -10.799 -24.295 1.00 0.00 O ATOM 627 CB GLN A 442 6.369 -8.839 -22.593 1.00 0.00 C ATOM 628 CG GLN A 442 5.620 -7.535 -22.874 1.00 0.00 C ATOM 629 CD GLN A 442 5.883 -6.503 -21.775 1.00 0.00 C ATOM 630 OE1 GLN A 442 4.978 -5.892 -21.232 1.00 0.00 O ATOM 631 NE2 GLN A 442 7.170 -6.344 -21.480 1.00 0.00 N ATOM 0 H GLN A 442 6.792 -10.516 -20.753 1.00 0.00 H new ATOM 0 HA GLN A 442 4.416 -9.509 -22.065 1.00 0.00 H new ATOM 0 HB2 GLN A 442 7.085 -8.685 -21.785 1.00 0.00 H new ATOM 0 HB3 GLN A 442 6.941 -9.131 -23.474 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.932 -7.133 -23.838 1.00 0.00 H new ATOM 0 HG3 GLN A 442 4.550 -7.733 -22.943 1.00 0.00 H new ATOM 0 HE21 GLN A 442 7.877 -6.888 -21.974 1.00 0.00 H new ATOM 0 HE22 GLN A 442 7.450 -5.678 -20.760 1.00 0.00 H new ATOM 640 N ASN A 443 6.045 -12.071 -23.179 1.00 0.00 N ATOM 641 CA ASN A 443 6.043 -13.136 -24.167 1.00 0.00 C ATOM 642 C ASN A 443 6.795 -14.345 -23.608 1.00 0.00 C ATOM 643 O ASN A 443 7.739 -14.191 -22.834 1.00 0.00 O ATOM 644 CB ASN A 443 6.745 -12.696 -25.454 1.00 0.00 C ATOM 645 CG ASN A 443 5.729 -12.383 -26.554 1.00 0.00 C ATOM 646 OD1 ASN A 443 5.601 -13.346 -27.462 1.00 0.00 O flip ATOM 647 ND2 ASN A 443 5.102 -11.337 -26.576 1.00 0.00 N flip ATOM 0 H ASN A 443 6.662 -12.229 -22.382 1.00 0.00 H new ATOM 0 HA ASN A 443 5.006 -13.387 -24.390 1.00 0.00 H new ATOM 0 HB2 ASN A 443 7.355 -11.815 -25.256 1.00 0.00 H new ATOM 0 HB3 ASN A 443 7.420 -13.482 -25.791 1.00 0.00 H new ATOM 0 HD21 ASN A 443 5.249 -10.639 -25.847 1.00 0.00 H new ATOM 0 HD22 ASN A 443 4.431 -11.160 -27.324 1.00 0.00 H new ATOM 654 N PRO A 444 6.338 -15.554 -24.034 1.00 0.00 N ATOM 655 CA PRO A 444 6.958 -16.789 -23.584 1.00 0.00 C ATOM 656 C PRO A 444 8.301 -17.013 -24.280 1.00 0.00 C ATOM 657 O PRO A 444 9.109 -17.824 -23.831 1.00 0.00 O ATOM 658 CB PRO A 444 5.940 -17.874 -23.893 1.00 0.00 C ATOM 659 CG PRO A 444 4.991 -17.277 -24.920 1.00 0.00 C ATOM 660 CD PRO A 444 5.224 -15.775 -24.950 1.00 0.00 C ATOM 0 HA PRO A 444 7.198 -16.777 -22.521 1.00 0.00 H new ATOM 0 HB2 PRO A 444 6.428 -18.767 -24.285 1.00 0.00 H new ATOM 0 HB3 PRO A 444 5.403 -18.173 -22.993 1.00 0.00 H new ATOM 0 HG2 PRO A 444 5.170 -17.711 -25.904 1.00 0.00 H new ATOM 0 HG3 PRO A 444 3.956 -17.498 -24.658 1.00 0.00 H new ATOM 0 HD2 PRO A 444 5.465 -15.432 -25.956 1.00 0.00 H new ATOM 0 HD3 PRO A 444 4.335 -15.230 -24.631 1.00 0.00 H new ATOM 668 N GLU A 445 8.498 -16.281 -25.367 1.00 0.00 N ATOM 669 CA GLU A 445 9.730 -16.390 -26.129 1.00 0.00 C ATOM 670 C GLU A 445 10.884 -15.732 -25.371 1.00 0.00 C ATOM 671 O GLU A 445 12.050 -15.951 -25.696 1.00 0.00 O ATOM 672 CB GLU A 445 9.569 -15.777 -27.522 1.00 0.00 C ATOM 673 CG GLU A 445 8.395 -16.413 -28.269 1.00 0.00 C ATOM 674 CD GLU A 445 8.882 -17.501 -29.228 1.00 0.00 C ATOM 675 OE1 GLU A 445 9.393 -17.122 -30.304 1.00 0.00 O ATOM 676 OE2 GLU A 445 8.730 -18.688 -28.865 1.00 0.00 O ATOM 0 H GLU A 445 7.825 -15.610 -25.738 1.00 0.00 H new ATOM 0 HA GLU A 445 9.962 -17.447 -26.257 1.00 0.00 H new ATOM 0 HB2 GLU A 445 9.409 -14.702 -27.434 1.00 0.00 H new ATOM 0 HB3 GLU A 445 10.487 -15.917 -28.093 1.00 0.00 H new ATOM 0 HG2 GLU A 445 7.693 -16.841 -27.554 1.00 0.00 H new ATOM 0 HG3 GLU A 445 7.855 -15.647 -28.826 1.00 0.00 H new ATOM 683 N GLU A 446 10.520 -14.940 -24.374 1.00 0.00 N ATOM 684 CA GLU A 446 11.510 -14.249 -23.566 1.00 0.00 C ATOM 685 C GLU A 446 11.746 -15.002 -22.256 1.00 0.00 C ATOM 686 O GLU A 446 12.652 -14.664 -21.495 1.00 0.00 O ATOM 687 CB GLU A 446 11.088 -12.803 -23.298 1.00 0.00 C ATOM 688 CG GLU A 446 10.765 -12.075 -24.605 1.00 0.00 C ATOM 689 CD GLU A 446 9.984 -10.787 -24.337 1.00 0.00 C ATOM 690 OE1 GLU A 446 10.081 -10.293 -23.193 1.00 0.00 O ATOM 691 OE2 GLU A 446 9.309 -10.325 -25.282 1.00 0.00 O ATOM 0 H GLU A 446 9.552 -14.761 -24.107 1.00 0.00 H new ATOM 0 HA GLU A 446 12.448 -14.222 -24.121 1.00 0.00 H new ATOM 0 HB2 GLU A 446 10.215 -12.790 -22.645 1.00 0.00 H new ATOM 0 HB3 GLU A 446 11.887 -12.279 -22.773 1.00 0.00 H new ATOM 0 HG2 GLU A 446 11.689 -11.841 -25.133 1.00 0.00 H new ATOM 0 HG3 GLU A 446 10.183 -12.728 -25.255 1.00 0.00 H new ATOM 698 N GLN A 447 10.915 -16.010 -22.031 1.00 0.00 N ATOM 699 CA GLN A 447 11.022 -16.814 -20.826 1.00 0.00 C ATOM 700 C GLN A 447 11.943 -18.012 -21.067 1.00 0.00 C ATOM 701 O GLN A 447 12.059 -18.493 -22.194 1.00 0.00 O ATOM 702 CB GLN A 447 9.643 -17.270 -20.347 1.00 0.00 C ATOM 703 CG GLN A 447 9.626 -17.463 -18.829 1.00 0.00 C ATOM 704 CD GLN A 447 8.763 -18.665 -18.439 1.00 0.00 C ATOM 705 OE1 GLN A 447 7.723 -18.539 -17.814 1.00 0.00 O ATOM 706 NE2 GLN A 447 9.252 -19.835 -18.842 1.00 0.00 N ATOM 0 H GLN A 447 10.165 -16.288 -22.664 1.00 0.00 H new ATOM 0 HA GLN A 447 11.458 -16.198 -20.039 1.00 0.00 H new ATOM 0 HB2 GLN A 447 8.893 -16.532 -20.632 1.00 0.00 H new ATOM 0 HB3 GLN A 447 9.374 -18.205 -20.839 1.00 0.00 H new ATOM 0 HG2 GLN A 447 10.643 -17.608 -18.466 1.00 0.00 H new ATOM 0 HG3 GLN A 447 9.241 -16.563 -18.349 1.00 0.00 H new ATOM 0 HE21 GLN A 447 10.129 -19.869 -19.362 1.00 0.00 H new ATOM 0 HE22 GLN A 447 8.750 -20.697 -18.631 1.00 0.00 H new ATOM 715 N ASP A 448 12.572 -18.460 -19.991 1.00 0.00 N ATOM 716 CA ASP A 448 13.478 -19.593 -20.072 1.00 0.00 C ATOM 717 C ASP A 448 12.785 -20.836 -19.510 1.00 0.00 C ATOM 718 O ASP A 448 11.683 -20.747 -18.973 1.00 0.00 O ATOM 719 CB ASP A 448 14.745 -19.346 -19.250 1.00 0.00 C ATOM 720 CG ASP A 448 15.961 -20.174 -19.670 1.00 0.00 C ATOM 721 OD1 ASP A 448 16.004 -21.359 -19.276 1.00 0.00 O ATOM 722 OD2 ASP A 448 16.820 -19.602 -20.376 1.00 0.00 O ATOM 0 H ASP A 448 12.472 -18.059 -19.058 1.00 0.00 H new ATOM 0 HA ASP A 448 13.749 -19.733 -21.118 1.00 0.00 H new ATOM 0 HB2 ASP A 448 15.003 -18.289 -19.317 1.00 0.00 H new ATOM 0 HB3 ASP A 448 14.527 -19.555 -18.203 1.00 0.00 H new ATOM 727 N GLU A 449 13.461 -21.967 -19.654 1.00 0.00 N ATOM 728 CA GLU A 449 12.924 -23.226 -19.167 1.00 0.00 C ATOM 729 C GLU A 449 13.243 -23.401 -17.681 1.00 0.00 C ATOM 730 O GLU A 449 14.398 -23.603 -17.310 1.00 0.00 O ATOM 731 CB GLU A 449 13.460 -24.403 -19.984 1.00 0.00 C ATOM 732 CG GLU A 449 12.315 -25.208 -20.603 1.00 0.00 C ATOM 733 CD GLU A 449 12.823 -26.103 -21.735 1.00 0.00 C ATOM 734 OE1 GLU A 449 13.405 -25.539 -22.687 1.00 0.00 O ATOM 735 OE2 GLU A 449 12.618 -27.331 -21.624 1.00 0.00 O ATOM 0 H GLU A 449 14.375 -22.037 -20.101 1.00 0.00 H new ATOM 0 HA GLU A 449 11.841 -23.206 -19.286 1.00 0.00 H new ATOM 0 HB2 GLU A 449 14.117 -24.034 -20.772 1.00 0.00 H new ATOM 0 HB3 GLU A 449 14.060 -25.050 -19.345 1.00 0.00 H new ATOM 0 HG2 GLU A 449 11.840 -25.820 -19.836 1.00 0.00 H new ATOM 0 HG3 GLU A 449 11.553 -24.529 -20.986 1.00 0.00 H new ATOM 742 N GLY A 450 12.198 -23.316 -16.870 1.00 0.00 N ATOM 743 CA GLY A 450 12.352 -23.461 -15.433 1.00 0.00 C ATOM 744 C GLY A 450 12.381 -22.096 -14.743 1.00 0.00 C ATOM 745 O GLY A 450 12.555 -22.013 -13.528 1.00 0.00 O ATOM 0 H GLY A 450 11.241 -23.148 -17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 450 11.531 -24.056 -15.034 1.00 0.00 H new ATOM 0 HA3 GLY A 450 13.273 -24.002 -15.215 1.00 0.00 H new ATOM 749 N TRP A 451 12.207 -21.058 -15.549 1.00 0.00 N ATOM 750 CA TRP A 451 12.211 -19.700 -15.031 1.00 0.00 C ATOM 751 C TRP A 451 11.026 -18.956 -15.649 1.00 0.00 C ATOM 752 O TRP A 451 10.763 -19.083 -16.844 1.00 0.00 O ATOM 753 CB TRP A 451 13.552 -19.015 -15.298 1.00 0.00 C ATOM 754 CG TRP A 451 14.762 -19.942 -15.161 1.00 0.00 C ATOM 755 CD1 TRP A 451 14.982 -21.110 -15.780 1.00 0.00 C ATOM 756 CD2 TRP A 451 15.918 -19.728 -14.323 1.00 0.00 C ATOM 757 NE1 TRP A 451 16.189 -21.662 -15.404 1.00 0.00 N ATOM 758 CE2 TRP A 451 16.776 -20.796 -14.490 1.00 0.00 C ATOM 759 CE3 TRP A 451 16.228 -18.668 -13.453 1.00 0.00 C ATOM 760 CZ2 TRP A 451 18.001 -20.907 -13.820 1.00 0.00 C ATOM 761 CZ3 TRP A 451 17.455 -18.794 -12.791 1.00 0.00 C ATOM 762 CH2 TRP A 451 18.330 -19.862 -12.948 1.00 0.00 C ATOM 0 H TRP A 451 12.062 -21.130 -16.556 1.00 0.00 H new ATOM 0 HA TRP A 451 12.096 -19.700 -13.947 1.00 0.00 H new ATOM 0 HB2 TRP A 451 13.540 -18.596 -16.304 1.00 0.00 H new ATOM 0 HB3 TRP A 451 13.666 -18.180 -14.606 1.00 0.00 H new ATOM 0 HD1 TRP A 451 14.300 -21.562 -16.485 1.00 0.00 H new ATOM 0 HE1 TRP A 451 16.579 -22.544 -15.736 1.00 0.00 H new ATOM 0 HE3 TRP A 451 15.571 -17.823 -13.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 18.656 -21.753 -13.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 17.742 -18.006 -12.111 1.00 0.00 H new ATOM 0 HH2 TRP A 451 19.260 -19.886 -12.400 1.00 0.00 H new ATOM 773 N LEU A 452 10.342 -18.195 -14.807 1.00 0.00 N ATOM 774 CA LEU A 452 9.191 -17.430 -15.256 1.00 0.00 C ATOM 775 C LEU A 452 9.346 -15.975 -14.810 1.00 0.00 C ATOM 776 O LEU A 452 10.252 -15.649 -14.045 1.00 0.00 O ATOM 777 CB LEU A 452 7.893 -18.084 -14.779 1.00 0.00 C ATOM 778 CG LEU A 452 8.047 -19.403 -14.018 1.00 0.00 C ATOM 779 CD1 LEU A 452 6.710 -19.854 -13.427 1.00 0.00 C ATOM 780 CD2 LEU A 452 8.674 -20.479 -14.906 1.00 0.00 C ATOM 0 H LEU A 452 10.563 -18.092 -13.817 1.00 0.00 H new ATOM 0 HA LEU A 452 9.137 -17.427 -16.345 1.00 0.00 H new ATOM 0 HB2 LEU A 452 7.367 -17.377 -14.138 1.00 0.00 H new ATOM 0 HB3 LEU A 452 7.258 -18.260 -15.647 1.00 0.00 H new ATOM 0 HG LEU A 452 8.729 -19.238 -13.183 1.00 0.00 H new ATOM 0 HD11 LEU A 452 6.847 -20.793 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 452 6.342 -19.094 -12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 452 5.987 -19.996 -14.230 1.00 0.00 H new ATOM 0 HD21 LEU A 452 8.772 -21.406 -14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 452 8.038 -20.650 -15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 452 9.659 -20.150 -15.236 1.00 0.00 H new ATOM 792 N MET A 453 8.447 -15.138 -15.308 1.00 0.00 N ATOM 793 CA MET A 453 8.473 -13.725 -14.970 1.00 0.00 C ATOM 794 C MET A 453 7.646 -13.446 -13.713 1.00 0.00 C ATOM 795 O MET A 453 6.432 -13.644 -13.708 1.00 0.00 O ATOM 796 CB MET A 453 7.915 -12.910 -16.139 1.00 0.00 C ATOM 797 CG MET A 453 7.587 -11.480 -15.704 1.00 0.00 C ATOM 798 SD MET A 453 8.282 -10.315 -16.863 1.00 0.00 S ATOM 799 CE MET A 453 10.021 -10.618 -16.602 1.00 0.00 C ATOM 0 H MET A 453 7.697 -15.411 -15.943 1.00 0.00 H new ATOM 0 HA MET A 453 9.506 -13.437 -14.774 1.00 0.00 H new ATOM 0 HB2 MET A 453 8.641 -12.889 -16.952 1.00 0.00 H new ATOM 0 HB3 MET A 453 7.017 -13.391 -16.526 1.00 0.00 H new ATOM 0 HG2 MET A 453 6.507 -11.347 -15.646 1.00 0.00 H new ATOM 0 HG3 MET A 453 7.985 -11.294 -14.706 1.00 0.00 H new ATOM 0 HE1 MET A 453 10.550 -10.544 -17.552 1.00 0.00 H new ATOM 0 HE2 MET A 453 10.419 -9.878 -15.907 1.00 0.00 H new ATOM 0 HE3 MET A 453 10.158 -11.617 -16.187 1.00 0.00 H new ATOM 809 N GLY A 454 8.337 -12.992 -12.678 1.00 0.00 N ATOM 810 CA GLY A 454 7.682 -12.684 -11.418 1.00 0.00 C ATOM 811 C GLY A 454 8.279 -11.427 -10.783 1.00 0.00 C ATOM 812 O GLY A 454 9.364 -10.989 -11.163 1.00 0.00 O ATOM 0 H GLY A 454 9.344 -12.830 -12.686 1.00 0.00 H new ATOM 0 HA2 GLY A 454 6.615 -12.540 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 454 7.787 -13.526 -10.734 1.00 0.00 H new ATOM 816 N VAL A 455 7.544 -10.880 -9.825 1.00 0.00 N ATOM 817 CA VAL A 455 7.986 -9.682 -9.133 1.00 0.00 C ATOM 818 C VAL A 455 7.937 -9.922 -7.623 1.00 0.00 C ATOM 819 O VAL A 455 7.055 -10.625 -7.131 1.00 0.00 O ATOM 820 CB VAL A 455 7.146 -8.482 -9.576 1.00 0.00 C ATOM 821 CG1 VAL A 455 5.685 -8.650 -9.152 1.00 0.00 C ATOM 822 CG2 VAL A 455 7.728 -7.175 -9.033 1.00 0.00 C ATOM 0 H VAL A 455 6.645 -11.245 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 455 9.020 -9.451 -9.391 1.00 0.00 H new ATOM 0 HB VAL A 455 7.176 -8.435 -10.665 1.00 0.00 H new ATOM 0 HG11 VAL A 455 5.109 -7.784 -9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 455 5.275 -9.551 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 455 5.629 -8.735 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 455 7.112 -6.338 -9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 455 7.743 -7.208 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 455 8.744 -7.047 -9.406 1.00 0.00 H new ATOM 832 N LYS A 456 8.895 -9.324 -6.930 1.00 0.00 N ATOM 833 CA LYS A 456 8.971 -9.465 -5.485 1.00 0.00 C ATOM 834 C LYS A 456 7.817 -8.696 -4.841 1.00 0.00 C ATOM 835 O LYS A 456 7.182 -7.864 -5.488 1.00 0.00 O ATOM 836 CB LYS A 456 10.351 -9.041 -4.979 1.00 0.00 C ATOM 837 CG LYS A 456 11.228 -10.261 -4.691 1.00 0.00 C ATOM 838 CD LYS A 456 12.705 -9.868 -4.610 1.00 0.00 C ATOM 839 CE LYS A 456 13.271 -9.575 -6.000 1.00 0.00 C ATOM 840 NZ LYS A 456 14.529 -8.802 -5.896 1.00 0.00 N ATOM 0 H LYS A 456 9.624 -8.741 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 456 8.858 -10.510 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 456 10.836 -8.407 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 456 10.243 -8.445 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 456 10.919 -10.722 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 456 11.089 -11.006 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 456 12.817 -8.989 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 456 13.274 -10.672 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 456 13.455 -10.510 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 456 12.541 -9.016 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 14.720 -8.326 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 14.438 -8.090 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 15.314 -9.446 -5.671 1.00 0.00 H new ATOM 854 N GLU A 457 7.579 -9.001 -3.573 1.00 0.00 N ATOM 855 CA GLU A 457 6.512 -8.348 -2.834 1.00 0.00 C ATOM 856 C GLU A 457 6.784 -6.847 -2.723 1.00 0.00 C ATOM 857 O GLU A 457 5.873 -6.034 -2.878 1.00 0.00 O ATOM 858 CB GLU A 457 6.339 -8.978 -1.450 1.00 0.00 C ATOM 859 CG GLU A 457 5.186 -8.322 -0.689 1.00 0.00 C ATOM 860 CD GLU A 457 4.436 -9.348 0.162 1.00 0.00 C ATOM 861 OE1 GLU A 457 3.579 -10.049 -0.418 1.00 0.00 O ATOM 862 OE2 GLU A 457 4.736 -9.409 1.374 1.00 0.00 O ATOM 0 H GLU A 457 8.107 -9.692 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 457 5.579 -8.488 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 457 6.149 -10.046 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 457 7.262 -8.872 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 457 5.573 -7.528 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 457 4.498 -7.857 -1.395 1.00 0.00 H new ATOM 869 N SER A 458 8.041 -6.524 -2.455 1.00 0.00 N ATOM 870 CA SER A 458 8.444 -5.134 -2.321 1.00 0.00 C ATOM 871 C SER A 458 8.251 -4.403 -3.651 1.00 0.00 C ATOM 872 O SER A 458 7.759 -3.276 -3.678 1.00 0.00 O ATOM 873 CB SER A 458 9.899 -5.024 -1.861 1.00 0.00 C ATOM 874 OG SER A 458 10.037 -4.177 -0.723 1.00 0.00 O ATOM 0 H SER A 458 8.793 -7.201 -2.327 1.00 0.00 H new ATOM 0 HA SER A 458 7.816 -4.667 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 458 10.280 -6.017 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 458 10.509 -4.637 -2.677 1.00 0.00 H new ATOM 0 HG SER A 458 10.980 -4.134 -0.459 1.00 0.00 H new ATOM 880 N ASP A 459 8.648 -5.075 -4.722 1.00 0.00 N ATOM 881 CA ASP A 459 8.525 -4.503 -6.052 1.00 0.00 C ATOM 882 C ASP A 459 7.052 -4.202 -6.339 1.00 0.00 C ATOM 883 O ASP A 459 6.735 -3.229 -7.021 1.00 0.00 O ATOM 884 CB ASP A 459 9.025 -5.478 -7.119 1.00 0.00 C ATOM 885 CG ASP A 459 10.547 -5.571 -7.248 1.00 0.00 C ATOM 886 OD1 ASP A 459 11.227 -4.902 -6.440 1.00 0.00 O ATOM 887 OD2 ASP A 459 10.996 -6.310 -8.151 1.00 0.00 O ATOM 0 H ASP A 459 9.055 -6.010 -4.696 1.00 0.00 H new ATOM 0 HA ASP A 459 9.125 -3.594 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 459 8.633 -6.470 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 459 8.611 -5.182 -8.083 1.00 0.00 H new ATOM 892 N TRP A 460 6.192 -5.056 -5.804 1.00 0.00 N ATOM 893 CA TRP A 460 4.761 -4.894 -5.994 1.00 0.00 C ATOM 894 C TRP A 460 4.385 -3.474 -5.568 1.00 0.00 C ATOM 895 O TRP A 460 3.615 -2.800 -6.250 1.00 0.00 O ATOM 896 CB TRP A 460 3.982 -5.971 -5.237 1.00 0.00 C ATOM 897 CG TRP A 460 2.482 -5.986 -5.542 1.00 0.00 C ATOM 898 CD1 TRP A 460 1.790 -5.138 -6.316 1.00 0.00 C ATOM 899 CD2 TRP A 460 1.513 -6.933 -5.046 1.00 0.00 C ATOM 900 NE1 TRP A 460 0.450 -5.468 -6.354 1.00 0.00 N ATOM 901 CE2 TRP A 460 0.277 -6.594 -5.557 1.00 0.00 C ATOM 902 CE3 TRP A 460 1.675 -8.038 -4.193 1.00 0.00 C ATOM 903 CZ2 TRP A 460 -0.892 -7.310 -5.273 1.00 0.00 C ATOM 904 CZ3 TRP A 460 0.497 -8.744 -3.919 1.00 0.00 C ATOM 905 CH2 TRP A 460 -0.755 -8.416 -4.426 1.00 0.00 C ATOM 0 H TRP A 460 6.459 -5.862 -5.239 1.00 0.00 H new ATOM 0 HA TRP A 460 4.494 -5.025 -7.043 1.00 0.00 H new ATOM 0 HB2 TRP A 460 4.401 -6.947 -5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 460 4.123 -5.822 -4.167 1.00 0.00 H new ATOM 0 HD1 TRP A 460 2.226 -4.302 -6.843 1.00 0.00 H new ATOM 0 HE1 TRP A 460 -0.279 -4.976 -6.871 1.00 0.00 H new ATOM 0 HE3 TRP A 460 2.633 -8.321 -3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 460 -1.848 -7.024 -5.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 460 0.566 -9.603 -3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 460 -1.618 -9.012 -4.168 1.00 0.00 H new ATOM 1075 N ARG A 470 9.824 -5.608 -13.495 1.00 0.00 N ATOM 1076 CA ARG A 470 9.716 -6.919 -14.111 1.00 0.00 C ATOM 1077 C ARG A 470 11.062 -7.645 -14.055 1.00 0.00 C ATOM 1078 O ARG A 470 12.105 -7.046 -14.311 1.00 0.00 O ATOM 1079 CB ARG A 470 9.264 -6.808 -15.568 1.00 0.00 C ATOM 1080 CG ARG A 470 7.914 -6.097 -15.671 1.00 0.00 C ATOM 1081 CD ARG A 470 6.922 -6.920 -16.495 1.00 0.00 C ATOM 1082 NE ARG A 470 6.599 -6.213 -17.754 1.00 0.00 N ATOM 1083 CZ ARG A 470 5.631 -5.294 -17.873 1.00 0.00 C ATOM 1084 NH1 ARG A 470 4.885 -4.965 -16.809 1.00 0.00 N ATOM 1085 NH2 ARG A 470 5.409 -4.703 -19.055 1.00 0.00 N ATOM 0 HA ARG A 470 8.970 -7.486 -13.554 1.00 0.00 H new ATOM 0 HB2 ARG A 470 10.011 -6.262 -16.144 1.00 0.00 H new ATOM 0 HB3 ARG A 470 9.189 -7.803 -16.006 1.00 0.00 H new ATOM 0 HG2 ARG A 470 7.511 -5.928 -14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 470 8.049 -5.118 -16.130 1.00 0.00 H new ATOM 0 HD2 ARG A 470 7.346 -7.899 -16.717 1.00 0.00 H new ATOM 0 HD3 ARG A 470 6.012 -7.089 -15.920 1.00 0.00 H new ATOM 0 HE ARG A 470 7.148 -6.439 -18.584 1.00 0.00 H new ATOM 0 HH11 ARG A 470 5.054 -5.414 -15.909 1.00 0.00 H new ATOM 0 HH12 ARG A 470 4.148 -4.265 -16.899 1.00 0.00 H new ATOM 0 HH21 ARG A 470 5.977 -4.953 -19.865 1.00 0.00 H new ATOM 0 HH22 ARG A 470 4.672 -4.004 -19.145 1.00 0.00 H new ATOM 1099 N GLY A 471 10.995 -8.924 -13.718 1.00 0.00 N ATOM 1100 CA GLY A 471 12.195 -9.738 -13.625 1.00 0.00 C ATOM 1101 C GLY A 471 11.881 -11.211 -13.890 1.00 0.00 C ATOM 1102 O GLY A 471 10.733 -11.568 -14.151 1.00 0.00 O ATOM 0 H GLY A 471 10.128 -9.417 -13.506 1.00 0.00 H new ATOM 0 HA2 GLY A 471 12.934 -9.385 -14.344 1.00 0.00 H new ATOM 0 HA3 GLY A 471 12.636 -9.629 -12.634 1.00 0.00 H new ATOM 1106 N VAL A 472 12.921 -12.028 -13.814 1.00 0.00 N ATOM 1107 CA VAL A 472 12.770 -13.455 -14.042 1.00 0.00 C ATOM 1108 C VAL A 472 13.361 -14.222 -12.857 1.00 0.00 C ATOM 1109 O VAL A 472 14.282 -13.742 -12.199 1.00 0.00 O ATOM 1110 CB VAL A 472 13.405 -13.841 -15.380 1.00 0.00 C ATOM 1111 CG1 VAL A 472 13.847 -15.306 -15.375 1.00 0.00 C ATOM 1112 CG2 VAL A 472 12.449 -13.561 -16.542 1.00 0.00 C ATOM 0 H VAL A 472 13.872 -11.729 -13.598 1.00 0.00 H new ATOM 0 HA VAL A 472 11.715 -13.722 -14.109 1.00 0.00 H new ATOM 0 HB VAL A 472 14.292 -13.224 -15.520 1.00 0.00 H new ATOM 0 HG11 VAL A 472 14.295 -15.554 -16.337 1.00 0.00 H new ATOM 0 HG12 VAL A 472 14.579 -15.462 -14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 472 12.982 -15.946 -15.201 1.00 0.00 H new ATOM 0 HG21 VAL A 472 12.925 -13.844 -17.481 1.00 0.00 H new ATOM 0 HG22 VAL A 472 11.535 -14.140 -16.409 1.00 0.00 H new ATOM 0 HG23 VAL A 472 12.205 -12.499 -16.565 1.00 0.00 H new ATOM 1122 N PHE A 473 12.806 -15.402 -12.622 1.00 0.00 N ATOM 1123 CA PHE A 473 13.266 -16.240 -11.527 1.00 0.00 C ATOM 1124 C PHE A 473 12.859 -17.699 -11.745 1.00 0.00 C ATOM 1125 O PHE A 473 11.823 -17.975 -12.347 1.00 0.00 O ATOM 1126 CB PHE A 473 12.595 -15.721 -10.254 1.00 0.00 C ATOM 1127 CG PHE A 473 11.113 -16.082 -10.140 1.00 0.00 C ATOM 1128 CD1 PHE A 473 10.203 -15.483 -10.953 1.00 0.00 C ATOM 1129 CD2 PHE A 473 10.706 -17.002 -9.225 1.00 0.00 C ATOM 1130 CE1 PHE A 473 8.827 -15.818 -10.847 1.00 0.00 C ATOM 1131 CE2 PHE A 473 9.330 -17.337 -9.119 1.00 0.00 C ATOM 1132 CZ PHE A 473 8.420 -16.738 -9.933 1.00 0.00 C ATOM 0 H PHE A 473 12.043 -15.798 -13.171 1.00 0.00 H new ATOM 0 HA PHE A 473 14.353 -16.200 -11.459 1.00 0.00 H new ATOM 0 HB2 PHE A 473 13.123 -16.121 -9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 473 12.698 -14.636 -10.218 1.00 0.00 H new ATOM 0 HD1 PHE A 473 10.526 -14.752 -11.680 1.00 0.00 H new ATOM 0 HD2 PHE A 473 11.429 -17.478 -8.579 1.00 0.00 H new ATOM 0 HE1 PHE A 473 8.104 -15.342 -11.493 1.00 0.00 H new ATOM 0 HE2 PHE A 473 9.006 -18.067 -8.392 1.00 0.00 H new ATOM 0 HZ PHE A 473 7.374 -16.993 -9.853 1.00 0.00 H new ATOM 1142 N PRO A 474 13.719 -18.618 -11.231 1.00 0.00 N ATOM 1143 CA PRO A 474 13.460 -20.042 -11.363 1.00 0.00 C ATOM 1144 C PRO A 474 12.354 -20.489 -10.405 1.00 0.00 C ATOM 1145 O PRO A 474 12.501 -20.383 -9.189 1.00 0.00 O ATOM 1146 CB PRO A 474 14.795 -20.712 -11.083 1.00 0.00 C ATOM 1147 CG PRO A 474 15.636 -19.678 -10.353 1.00 0.00 C ATOM 1148 CD PRO A 474 14.956 -18.328 -10.512 1.00 0.00 C ATOM 0 HA PRO A 474 13.093 -20.313 -12.353 1.00 0.00 H new ATOM 0 HB2 PRO A 474 14.663 -21.607 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 474 15.277 -21.024 -12.009 1.00 0.00 H new ATOM 0 HG2 PRO A 474 15.729 -19.937 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 474 16.645 -19.648 -10.764 1.00 0.00 H new ATOM 0 HD2 PRO A 474 14.753 -17.870 -9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 474 15.583 -17.632 -11.068 1.00 0.00 H new ATOM 1156 N GLU A 475 11.271 -20.980 -10.991 1.00 0.00 N ATOM 1157 CA GLU A 475 10.141 -21.443 -10.204 1.00 0.00 C ATOM 1158 C GLU A 475 10.522 -22.698 -9.415 1.00 0.00 C ATOM 1159 O GLU A 475 10.079 -22.881 -8.283 1.00 0.00 O ATOM 1160 CB GLU A 475 8.924 -21.704 -11.095 1.00 0.00 C ATOM 1161 CG GLU A 475 7.895 -22.578 -10.374 1.00 0.00 C ATOM 1162 CD GLU A 475 6.471 -22.091 -10.654 1.00 0.00 C ATOM 1163 OE1 GLU A 475 6.092 -21.067 -10.046 1.00 0.00 O ATOM 1164 OE2 GLU A 475 5.795 -22.755 -11.469 1.00 0.00 O ATOM 0 H GLU A 475 11.153 -21.067 -12.000 1.00 0.00 H new ATOM 0 HA GLU A 475 9.871 -20.660 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 475 8.467 -20.756 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 475 9.241 -22.193 -12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 475 8.000 -23.613 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 475 8.085 -22.560 -9.301 1.00 0.00 H new ATOM 1171 N ASN A 476 11.339 -23.529 -10.045 1.00 0.00 N ATOM 1172 CA ASN A 476 11.785 -24.760 -9.416 1.00 0.00 C ATOM 1173 C ASN A 476 12.624 -24.423 -8.182 1.00 0.00 C ATOM 1174 O ASN A 476 12.910 -25.295 -7.364 1.00 0.00 O ATOM 1175 CB ASN A 476 12.655 -25.582 -10.369 1.00 0.00 C ATOM 1176 CG ASN A 476 13.731 -24.710 -11.019 1.00 0.00 C ATOM 1177 OD1 ASN A 476 14.769 -24.453 -10.228 1.00 0.00 O flip ATOM 1178 ND2 ASN A 476 13.626 -24.298 -12.163 1.00 0.00 N flip ATOM 0 H ASN A 476 11.704 -23.374 -10.985 1.00 0.00 H new ATOM 0 HA ASN A 476 10.902 -25.338 -9.144 1.00 0.00 H new ATOM 0 HB2 ASN A 476 13.125 -26.400 -9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 476 12.030 -26.031 -11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 476 12.802 -24.533 -12.716 1.00 0.00 H new ATOM 0 HD22 ASN A 476 14.362 -23.719 -12.566 1.00 0.00 H new ATOM 1185 N PHE A 477 12.996 -23.155 -8.088 1.00 0.00 N ATOM 1186 CA PHE A 477 13.797 -22.691 -6.967 1.00 0.00 C ATOM 1187 C PHE A 477 12.932 -21.955 -5.942 1.00 0.00 C ATOM 1188 O PHE A 477 13.441 -21.454 -4.941 1.00 0.00 O ATOM 1189 CB PHE A 477 14.836 -21.720 -7.532 1.00 0.00 C ATOM 1190 CG PHE A 477 15.112 -20.513 -6.633 1.00 0.00 C ATOM 1191 CD1 PHE A 477 14.232 -19.476 -6.598 1.00 0.00 C ATOM 1192 CD2 PHE A 477 16.237 -20.476 -5.870 1.00 0.00 C ATOM 1193 CE1 PHE A 477 14.488 -18.356 -5.764 1.00 0.00 C ATOM 1194 CE2 PHE A 477 16.493 -19.355 -5.036 1.00 0.00 C ATOM 1195 CZ PHE A 477 15.613 -18.319 -5.001 1.00 0.00 C ATOM 0 H PHE A 477 12.758 -22.434 -8.769 1.00 0.00 H new ATOM 0 HA PHE A 477 14.263 -23.539 -6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 477 15.769 -22.258 -7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 477 14.496 -21.365 -8.505 1.00 0.00 H new ATOM 0 HD1 PHE A 477 13.339 -19.505 -7.205 1.00 0.00 H new ATOM 0 HD2 PHE A 477 16.936 -21.299 -5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 477 13.789 -17.533 -5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 477 17.386 -19.326 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 477 15.808 -17.467 -4.367 1.00 0.00 H new ATOM 1205 N THR A 478 11.639 -21.913 -6.228 1.00 0.00 N ATOM 1206 CA THR A 478 10.699 -21.246 -5.343 1.00 0.00 C ATOM 1207 C THR A 478 9.517 -22.166 -5.031 1.00 0.00 C ATOM 1208 O THR A 478 9.464 -23.299 -5.508 1.00 0.00 O ATOM 1209 CB THR A 478 10.285 -19.928 -6.000 1.00 0.00 C ATOM 1210 OG1 THR A 478 10.278 -20.222 -7.394 1.00 0.00 O ATOM 1211 CG2 THR A 478 11.352 -18.841 -5.854 1.00 0.00 C ATOM 0 H THR A 478 11.220 -22.330 -7.060 1.00 0.00 H new ATOM 0 HA THR A 478 11.156 -21.017 -4.380 1.00 0.00 H new ATOM 0 HB THR A 478 9.350 -19.581 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 478 11.171 -20.064 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 478 11.008 -17.927 -6.337 1.00 0.00 H new ATOM 0 HG22 THR A 478 11.531 -18.647 -4.797 1.00 0.00 H new ATOM 0 HG23 THR A 478 12.277 -19.174 -6.324 1.00 0.00 H new ATOM 1219 N GLU A 479 8.598 -21.645 -4.231 1.00 0.00 N ATOM 1220 CA GLU A 479 7.421 -22.406 -3.848 1.00 0.00 C ATOM 1221 C GLU A 479 6.160 -21.559 -4.030 1.00 0.00 C ATOM 1222 O GLU A 479 6.213 -20.333 -3.939 1.00 0.00 O ATOM 1223 CB GLU A 479 7.538 -22.912 -2.409 1.00 0.00 C ATOM 1224 CG GLU A 479 6.818 -24.252 -2.239 1.00 0.00 C ATOM 1225 CD GLU A 479 6.971 -24.778 -0.811 1.00 0.00 C ATOM 1226 OE1 GLU A 479 7.118 -23.929 0.095 1.00 0.00 O ATOM 1227 OE2 GLU A 479 6.937 -26.018 -0.656 1.00 0.00 O ATOM 0 H GLU A 479 8.645 -20.705 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 479 7.348 -23.277 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 479 8.589 -23.024 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 479 7.113 -22.177 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 479 5.761 -24.134 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 479 7.223 -24.979 -2.944 1.00 0.00 H new ATOM 1234 N ARG A 480 5.055 -22.245 -4.283 1.00 0.00 N ATOM 1235 CA ARG A 480 3.783 -21.571 -4.479 1.00 0.00 C ATOM 1236 C ARG A 480 3.112 -21.303 -3.130 1.00 0.00 C ATOM 1237 O ARG A 480 3.078 -22.176 -2.265 1.00 0.00 O ATOM 1238 CB ARG A 480 2.844 -22.408 -5.350 1.00 0.00 C ATOM 1239 CG ARG A 480 3.461 -22.672 -6.725 1.00 0.00 C ATOM 1240 CD ARG A 480 2.385 -22.702 -7.812 1.00 0.00 C ATOM 1241 NE ARG A 480 2.512 -23.939 -8.615 1.00 0.00 N ATOM 1242 CZ ARG A 480 1.596 -24.358 -9.499 1.00 0.00 C ATOM 1243 NH1 ARG A 480 0.481 -23.642 -9.698 1.00 0.00 N ATOM 1244 NH2 ARG A 480 1.795 -25.492 -10.183 1.00 0.00 N ATOM 0 H ARG A 480 5.014 -23.262 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 480 3.983 -20.626 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 480 2.631 -23.356 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 480 1.893 -21.889 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 480 4.193 -21.897 -6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 480 3.996 -23.622 -6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 480 1.396 -22.654 -7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 480 2.483 -21.828 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 480 3.349 -24.508 -8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 480 0.330 -22.778 -9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 480 -0.216 -23.961 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 480 2.644 -26.037 -10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 480 1.098 -25.811 -10.856 1.00 0.00 H new ATOM 1258 N VAL A 481 2.595 -20.090 -2.993 1.00 0.00 N ATOM 1259 CA VAL A 481 1.928 -19.696 -1.765 1.00 0.00 C ATOM 1260 C VAL A 481 0.416 -19.659 -2.000 1.00 0.00 C ATOM 1261 O VAL A 481 -0.070 -18.876 -2.814 1.00 0.00 O ATOM 1262 CB VAL A 481 2.488 -18.361 -1.270 1.00 0.00 C ATOM 1263 CG1 VAL A 481 1.782 -17.910 0.011 1.00 0.00 C ATOM 1264 CG2 VAL A 481 4.001 -18.445 -1.061 1.00 0.00 C ATOM 0 H VAL A 481 2.625 -19.368 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 481 2.117 -20.425 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 481 2.297 -17.612 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 481 2.199 -16.959 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 481 0.716 -17.791 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 481 1.927 -18.659 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 481 4.374 -17.483 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 481 4.224 -19.213 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 481 4.485 -18.699 -2.004 1.00 0.00 H new