USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 357 MET CE :methyl -174:sc= -1.28 (180deg=-0.796) USER MOD Set 1.2: A 363 GLN : amide:sc= -0.103 K(o=-1.4,f=-2.2) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.0237 K(o=-0.024,f=-3.1!) USER MOD Single : A 362 THR OG1 : rot -13:sc= -1.15! USER MOD Single : A 364 LYS NZ :NH3+ 168:sc= -0.0414 (180deg=-0.237) USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 370 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 371 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 372 GLN : amide:sc= -0.985! K(o=-0.98!,f=0) USER MOD Single : A 373 GLN : amide:sc= -1.68! C(o=-1.7!,f=-1.5!) USER MOD Single : A 377 THR OG1 : rot 180:sc=0.000618 USER MOD Single : A 380 SER OG : rot 180:sc=-0.00197 USER MOD Single : A 382 ASN : amide:sc= -4.21! K(o=-4.2!,f=-0.96) USER MOD Single : A 383 LYS NZ :NH3+ -166:sc= -0.0249 (180deg=-0.219) USER MOD Single : A 384 LYS NZ :NH3+ -124:sc= -0.142 (180deg=-2.59!) USER MOD Single : A 386 GLN : amide:sc= 0.00965 X(o=0.0097,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.109 K(o=-0.11,f=-4.8!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -168:sc= -0.0192 (180deg=-0.183) USER MOD Single : A 396 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.31) USER MOD Single : A 397 ASN : amide:sc= 0.317 K(o=0.32,f=-3!) USER MOD Single : A 401 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.052) USER MOD Single : A 402 LYS NZ :NH3+ -165:sc= -0.0449 (180deg=-0.306) USER MOD Single : A 403 LYS NZ :NH3+ -169:sc= 0.385 (180deg=0.178) USER MOD Single : A 405 THR OG1 : rot 26:sc= 0.17 USER MOD Single : A 408 LYS NZ :NH3+ 166:sc= -0.0289 (180deg=-0.232) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ -164:sc= -0.0424 (180deg=-0.318) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ -169:sc= -0.0284 (180deg=-0.175) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 427 THR OG1 : rot 180:sc=-0.00613 USER MOD Single : A 428 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.25) USER MOD Single : A 429 THR OG1 : rot 39:sc= 0.326 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 5.271 -22.472 2.489 1.00 0.00 N ATOM 2 CA GLY A 354 5.776 -21.829 3.734 1.00 0.00 C ATOM 3 C GLY A 354 6.923 -22.598 4.360 1.00 0.00 C ATOM 4 O GLY A 354 6.932 -22.837 5.567 1.00 0.00 O ATOM 0 HA2 GLY A 354 6.104 -20.814 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 354 4.961 -21.748 4.454 1.00 0.00 H new ATOM 10 N SER A 355 7.890 -22.990 3.534 1.00 0.00 N ATOM 11 CA SER A 355 9.048 -23.741 4.009 1.00 0.00 C ATOM 12 C SER A 355 9.941 -22.872 4.899 1.00 0.00 C ATOM 13 O SER A 355 9.447 -22.070 5.692 1.00 0.00 O ATOM 14 CB SER A 355 9.845 -24.278 2.819 1.00 0.00 C ATOM 15 OG SER A 355 10.312 -23.222 1.997 1.00 0.00 O ATOM 0 H SER A 355 7.894 -22.800 2.532 1.00 0.00 H new ATOM 0 HA SER A 355 8.692 -24.579 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 355 10.691 -24.864 3.179 1.00 0.00 H new ATOM 0 HB3 SER A 355 9.219 -24.950 2.232 1.00 0.00 H new ATOM 0 HG SER A 355 10.820 -23.593 1.245 1.00 0.00 H new ATOM 21 N HIS A 356 11.256 -23.037 4.766 1.00 0.00 N ATOM 22 CA HIS A 356 12.205 -22.267 5.562 1.00 0.00 C ATOM 23 C HIS A 356 12.090 -20.778 5.255 1.00 0.00 C ATOM 24 O HIS A 356 12.091 -20.372 4.092 1.00 0.00 O ATOM 25 CB HIS A 356 13.632 -22.750 5.293 1.00 0.00 C ATOM 26 CG HIS A 356 13.830 -24.208 5.567 1.00 0.00 C ATOM 27 ND1 HIS A 356 13.132 -25.199 4.908 1.00 0.00 N ATOM 28 CD2 HIS A 356 14.652 -24.842 6.436 1.00 0.00 C ATOM 29 CE1 HIS A 356 13.516 -26.380 5.361 1.00 0.00 C ATOM 30 NE2 HIS A 356 14.438 -26.190 6.287 1.00 0.00 N ATOM 0 H HIS A 356 11.686 -23.695 4.116 1.00 0.00 H new ATOM 0 HA HIS A 356 11.969 -22.419 6.615 1.00 0.00 H new ATOM 0 HB2 HIS A 356 13.886 -22.546 4.253 1.00 0.00 H new ATOM 0 HB3 HIS A 356 14.324 -22.175 5.909 1.00 0.00 H new ATOM 0 HD2 HIS A 356 15.346 -24.375 7.119 1.00 0.00 H new ATOM 0 HE1 HIS A 356 13.140 -27.337 5.030 1.00 0.00 H new ATOM 0 HE2 HIS A 356 14.915 -26.926 6.808 1.00 0.00 H new ATOM 39 N MET A 357 11.992 -19.971 6.305 1.00 0.00 N ATOM 40 CA MET A 357 11.876 -18.524 6.152 1.00 0.00 C ATOM 41 C MET A 357 13.149 -17.934 5.552 1.00 0.00 C ATOM 42 O MET A 357 14.257 -18.297 5.946 1.00 0.00 O ATOM 43 CB MET A 357 11.580 -17.868 7.502 1.00 0.00 C ATOM 44 CG MET A 357 12.624 -18.162 8.567 1.00 0.00 C ATOM 45 SD MET A 357 12.272 -17.337 10.132 1.00 0.00 S ATOM 46 CE MET A 357 10.653 -18.001 10.514 1.00 0.00 C ATOM 0 H MET A 357 11.990 -20.294 7.273 1.00 0.00 H new ATOM 0 HA MET A 357 11.050 -18.322 5.470 1.00 0.00 H new ATOM 0 HB2 MET A 357 11.509 -16.789 7.364 1.00 0.00 H new ATOM 0 HB3 MET A 357 10.607 -18.209 7.856 1.00 0.00 H new ATOM 0 HG2 MET A 357 12.676 -19.238 8.732 1.00 0.00 H new ATOM 0 HG3 MET A 357 13.603 -17.847 8.207 1.00 0.00 H new ATOM 0 HE1 MET A 357 10.256 -17.504 11.399 1.00 0.00 H new ATOM 0 HE2 MET A 357 9.982 -17.832 9.671 1.00 0.00 H new ATOM 0 HE3 MET A 357 10.734 -19.071 10.704 1.00 0.00 H new ATOM 56 N LEU A 358 12.976 -17.020 4.602 1.00 0.00 N ATOM 57 CA LEU A 358 14.105 -16.370 3.942 1.00 0.00 C ATOM 58 C LEU A 358 13.718 -14.976 3.460 1.00 0.00 C ATOM 59 O LEU A 358 12.692 -14.799 2.804 1.00 0.00 O ATOM 60 CB LEU A 358 14.589 -17.209 2.753 1.00 0.00 C ATOM 61 CG LEU A 358 15.217 -18.558 3.110 1.00 0.00 C ATOM 62 CD1 LEU A 358 15.536 -19.348 1.850 1.00 0.00 C ATOM 63 CD2 LEU A 358 16.474 -18.358 3.944 1.00 0.00 C ATOM 0 H LEU A 358 12.062 -16.712 4.271 1.00 0.00 H new ATOM 0 HA LEU A 358 14.913 -16.281 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 358 13.744 -17.386 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 358 15.319 -16.625 2.192 1.00 0.00 H new ATOM 0 HG LEU A 358 14.498 -19.126 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 358 15.982 -20.304 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 358 14.619 -19.523 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 358 16.237 -18.784 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 358 16.907 -19.328 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 358 17.197 -17.771 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 358 16.220 -17.832 4.864 1.00 0.00 H new ATOM 75 N GLU A 359 14.549 -13.991 3.792 1.00 0.00 N ATOM 76 CA GLU A 359 14.301 -12.608 3.397 1.00 0.00 C ATOM 77 C GLU A 359 12.905 -12.160 3.823 1.00 0.00 C ATOM 78 O GLU A 359 12.207 -11.472 3.075 1.00 0.00 O ATOM 79 CB GLU A 359 14.466 -12.445 1.884 1.00 0.00 C ATOM 80 CG GLU A 359 15.863 -12.773 1.388 1.00 0.00 C ATOM 81 CD GLU A 359 16.006 -12.599 -0.111 1.00 0.00 C ATOM 82 OE1 GLU A 359 15.805 -11.467 -0.599 1.00 0.00 O ATOM 83 OE2 GLU A 359 16.319 -13.594 -0.797 1.00 0.00 O ATOM 0 H GLU A 359 15.402 -14.126 4.335 1.00 0.00 H new ATOM 0 HA GLU A 359 15.033 -11.978 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 359 13.748 -13.090 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 359 14.223 -11.419 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 359 16.584 -12.132 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 359 16.107 -13.801 1.656 1.00 0.00 H new ATOM 90 N VAL A 360 12.504 -12.553 5.028 1.00 0.00 N ATOM 91 CA VAL A 360 11.193 -12.192 5.551 1.00 0.00 C ATOM 92 C VAL A 360 11.078 -10.683 5.755 1.00 0.00 C ATOM 93 O VAL A 360 11.952 -10.060 6.359 1.00 0.00 O ATOM 94 CB VAL A 360 10.899 -12.911 6.883 1.00 0.00 C ATOM 95 CG1 VAL A 360 10.799 -14.413 6.669 1.00 0.00 C ATOM 96 CG2 VAL A 360 11.968 -12.587 7.915 1.00 0.00 C ATOM 0 H VAL A 360 13.069 -13.121 5.660 1.00 0.00 H new ATOM 0 HA VAL A 360 10.458 -12.510 4.811 1.00 0.00 H new ATOM 0 HB VAL A 360 9.941 -12.554 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 360 10.591 -14.903 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 360 9.994 -14.628 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 360 11.741 -14.787 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 360 11.742 -13.104 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 360 12.941 -12.913 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 360 11.989 -11.512 8.092 1.00 0.00 H new ATOM 106 N LEU A 361 9.995 -10.104 5.249 1.00 0.00 N ATOM 107 CA LEU A 361 9.766 -8.670 5.379 1.00 0.00 C ATOM 108 C LEU A 361 9.439 -8.304 6.821 1.00 0.00 C ATOM 109 O LEU A 361 9.899 -7.283 7.334 1.00 0.00 O ATOM 110 CB LEU A 361 8.633 -8.215 4.452 1.00 0.00 C ATOM 111 CG LEU A 361 8.940 -8.289 2.953 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.065 -9.734 2.492 1.00 0.00 C ATOM 113 CD2 LEU A 361 7.867 -7.565 2.154 1.00 0.00 C ATOM 0 H LEU A 361 9.263 -10.605 4.746 1.00 0.00 H new ATOM 0 HA LEU A 361 10.682 -8.156 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.753 -8.825 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 361 8.373 -7.186 4.702 1.00 0.00 H new ATOM 0 HG LEU A 361 9.896 -7.795 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.283 -9.758 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.872 -10.222 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 361 8.129 -10.259 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 361 8.101 -7.627 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 361 6.899 -8.030 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 361 7.832 -6.519 2.457 1.00 0.00 H new ATOM 125 N THR A 362 8.647 -9.150 7.472 1.00 0.00 N ATOM 126 CA THR A 362 8.255 -8.932 8.858 1.00 0.00 C ATOM 127 C THR A 362 7.726 -10.221 9.475 1.00 0.00 C ATOM 128 O THR A 362 6.694 -10.747 9.057 1.00 0.00 O ATOM 129 CB THR A 362 7.172 -7.839 8.973 1.00 0.00 C ATOM 130 OG1 THR A 362 7.655 -6.607 8.425 1.00 0.00 O ATOM 131 CG2 THR A 362 6.768 -7.623 10.424 1.00 0.00 C ATOM 0 H THR A 362 8.262 -9.999 7.057 1.00 0.00 H new ATOM 0 HA THR A 362 9.144 -8.605 9.396 1.00 0.00 H new ATOM 0 HB THR A 362 6.298 -8.171 8.412 1.00 0.00 H new ATOM 0 HG1 THR A 362 8.624 -6.667 8.289 1.00 0.00 H new ATOM 0 HG21 THR A 362 6.004 -6.848 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 362 6.372 -8.552 10.834 1.00 0.00 H new ATOM 0 HG23 THR A 362 7.639 -7.314 11.002 1.00 0.00 H new ATOM 139 N GLN A 363 8.445 -10.721 10.475 1.00 0.00 N ATOM 140 CA GLN A 363 8.068 -11.949 11.166 1.00 0.00 C ATOM 141 C GLN A 363 9.072 -12.239 12.279 1.00 0.00 C ATOM 142 O GLN A 363 9.493 -13.378 12.483 1.00 0.00 O ATOM 143 CB GLN A 363 8.013 -13.123 10.179 1.00 0.00 C ATOM 144 CG GLN A 363 7.435 -14.401 10.768 1.00 0.00 C ATOM 145 CD GLN A 363 7.403 -15.542 9.769 1.00 0.00 C ATOM 146 OE1 GLN A 363 8.439 -15.962 9.254 1.00 0.00 O ATOM 147 NE2 GLN A 363 6.208 -16.051 9.489 1.00 0.00 N ATOM 0 H GLN A 363 9.300 -10.290 10.827 1.00 0.00 H new ATOM 0 HA GLN A 363 7.077 -11.822 11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 363 7.415 -12.831 9.316 1.00 0.00 H new ATOM 0 HB3 GLN A 363 9.020 -13.326 9.815 1.00 0.00 H new ATOM 0 HG2 GLN A 363 8.027 -14.698 11.634 1.00 0.00 H new ATOM 0 HG3 GLN A 363 6.423 -14.207 11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 363 5.374 -15.673 9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 363 6.124 -16.820 8.824 1.00 0.00 H new ATOM 156 N LYS A 364 9.457 -11.186 12.990 1.00 0.00 N ATOM 157 CA LYS A 364 10.420 -11.303 14.077 1.00 0.00 C ATOM 158 C LYS A 364 10.285 -10.131 15.044 1.00 0.00 C ATOM 159 O LYS A 364 10.240 -8.975 14.623 1.00 0.00 O ATOM 160 CB LYS A 364 11.838 -11.365 13.508 1.00 0.00 C ATOM 161 CG LYS A 364 12.144 -10.250 12.518 1.00 0.00 C ATOM 162 CD LYS A 364 13.535 -10.396 11.923 1.00 0.00 C ATOM 163 CE LYS A 364 13.815 -9.314 10.892 1.00 0.00 C ATOM 164 NZ LYS A 364 13.712 -7.949 11.475 1.00 0.00 N ATOM 0 H LYS A 364 9.115 -10.238 12.832 1.00 0.00 H new ATOM 0 HA LYS A 364 10.218 -12.222 14.628 1.00 0.00 H new ATOM 0 HB2 LYS A 364 12.553 -11.317 14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 364 11.982 -12.327 13.016 1.00 0.00 H new ATOM 0 HG2 LYS A 364 11.403 -10.259 11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 364 12.061 -9.285 13.019 1.00 0.00 H new ATOM 0 HD2 LYS A 364 14.279 -10.345 12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 364 13.632 -11.377 11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 364 14.813 -9.457 10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 364 13.111 -9.409 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 14.103 -7.255 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 12.714 -7.725 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 14.247 -7.911 12.366 1.00 0.00 H new ATOM 178 N HIS A 365 10.216 -10.447 16.340 1.00 0.00 N ATOM 179 CA HIS A 365 10.078 -9.435 17.390 1.00 0.00 C ATOM 180 C HIS A 365 8.659 -8.866 17.426 1.00 0.00 C ATOM 181 O HIS A 365 8.104 -8.635 18.500 1.00 0.00 O ATOM 182 CB HIS A 365 11.098 -8.306 17.199 1.00 0.00 C ATOM 183 CG HIS A 365 11.039 -7.262 18.269 1.00 0.00 C ATOM 184 ND1 HIS A 365 11.249 -7.539 19.604 1.00 0.00 N ATOM 185 CD2 HIS A 365 10.793 -5.932 18.197 1.00 0.00 C ATOM 186 CE1 HIS A 365 11.132 -6.426 20.307 1.00 0.00 C ATOM 187 NE2 HIS A 365 10.858 -5.438 19.476 1.00 0.00 N ATOM 0 H HIS A 365 10.254 -11.405 16.689 1.00 0.00 H new ATOM 0 HA HIS A 365 10.275 -9.922 18.345 1.00 0.00 H new ATOM 0 HB2 HIS A 365 12.101 -8.733 17.174 1.00 0.00 H new ATOM 0 HB3 HIS A 365 10.928 -7.834 16.231 1.00 0.00 H new ATOM 0 HD2 HIS A 365 10.585 -5.366 17.301 1.00 0.00 H new ATOM 0 HE1 HIS A 365 11.242 -6.340 21.378 1.00 0.00 H new ATOM 0 HE2 HIS A 365 10.717 -4.463 19.742 1.00 0.00 H new ATOM 196 N LYS A 366 8.077 -8.640 16.251 1.00 0.00 N ATOM 197 CA LYS A 366 6.730 -8.100 16.152 1.00 0.00 C ATOM 198 C LYS A 366 6.123 -8.410 14.784 1.00 0.00 C ATOM 199 O LYS A 366 6.777 -8.234 13.756 1.00 0.00 O ATOM 200 CB LYS A 366 6.757 -6.590 16.378 1.00 0.00 C ATOM 201 CG LYS A 366 5.402 -5.925 16.223 1.00 0.00 C ATOM 202 CD LYS A 366 5.518 -4.419 16.355 1.00 0.00 C ATOM 203 CE LYS A 366 4.176 -3.732 16.160 1.00 0.00 C ATOM 204 NZ LYS A 366 4.287 -2.252 16.283 1.00 0.00 N ATOM 0 H LYS A 366 8.522 -8.825 15.352 1.00 0.00 H new ATOM 0 HA LYS A 366 6.113 -8.568 16.919 1.00 0.00 H new ATOM 0 HB2 LYS A 366 7.138 -6.388 17.379 1.00 0.00 H new ATOM 0 HB3 LYS A 366 7.456 -6.139 15.674 1.00 0.00 H new ATOM 0 HG2 LYS A 366 4.978 -6.177 15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 366 4.716 -6.308 16.979 1.00 0.00 H new ATOM 0 HD2 LYS A 366 5.915 -4.170 17.339 1.00 0.00 H new ATOM 0 HD3 LYS A 366 6.229 -4.043 15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 366 3.778 -3.986 15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 366 3.466 -4.105 16.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 3.351 -1.821 16.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 4.643 -2.008 17.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 4.945 -1.892 15.562 1.00 0.00 H new ATOM 218 N PRO A 367 4.860 -8.878 14.754 1.00 0.00 N ATOM 219 CA PRO A 367 4.170 -9.210 13.505 1.00 0.00 C ATOM 220 C PRO A 367 3.635 -7.978 12.781 1.00 0.00 C ATOM 221 O PRO A 367 2.493 -7.965 12.322 1.00 0.00 O ATOM 222 CB PRO A 367 3.025 -10.094 13.976 1.00 0.00 C ATOM 223 CG PRO A 367 2.704 -9.598 15.339 1.00 0.00 C ATOM 224 CD PRO A 367 4.003 -9.119 15.932 1.00 0.00 C ATOM 0 HA PRO A 367 4.834 -9.686 12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 367 2.164 -10.014 13.312 1.00 0.00 H new ATOM 0 HB3 PRO A 367 3.317 -11.144 13.995 1.00 0.00 H new ATOM 0 HG2 PRO A 367 1.974 -8.789 15.297 1.00 0.00 H new ATOM 0 HG3 PRO A 367 2.267 -10.390 15.948 1.00 0.00 H new ATOM 0 HD2 PRO A 367 3.864 -8.211 16.518 1.00 0.00 H new ATOM 0 HD3 PRO A 367 4.438 -9.865 16.597 1.00 0.00 H new ATOM 232 N ALA A 368 4.467 -6.946 12.679 1.00 0.00 N ATOM 233 CA ALA A 368 4.076 -5.712 12.007 1.00 0.00 C ATOM 234 C ALA A 368 5.275 -4.792 11.801 1.00 0.00 C ATOM 235 O ALA A 368 6.049 -4.546 12.727 1.00 0.00 O ATOM 236 CB ALA A 368 2.991 -4.999 12.800 1.00 0.00 C ATOM 0 H ALA A 368 5.416 -6.940 13.053 1.00 0.00 H new ATOM 0 HA ALA A 368 3.681 -5.974 11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 368 2.709 -4.080 12.286 1.00 0.00 H new ATOM 0 HB2 ALA A 368 2.119 -5.647 12.888 1.00 0.00 H new ATOM 0 HB3 ALA A 368 3.366 -4.758 13.795 1.00 0.00 H new ATOM 242 N GLU A 369 5.417 -4.286 10.579 1.00 0.00 N ATOM 243 CA GLU A 369 6.517 -3.391 10.234 1.00 0.00 C ATOM 244 C GLU A 369 6.350 -2.867 8.815 1.00 0.00 C ATOM 245 O GLU A 369 6.575 -1.688 8.541 1.00 0.00 O ATOM 246 CB GLU A 369 7.861 -4.112 10.371 1.00 0.00 C ATOM 247 CG GLU A 369 9.065 -3.239 10.044 1.00 0.00 C ATOM 248 CD GLU A 369 9.210 -2.056 10.984 1.00 0.00 C ATOM 249 OE1 GLU A 369 8.296 -1.206 11.020 1.00 0.00 O ATOM 250 OE2 GLU A 369 10.242 -1.980 11.685 1.00 0.00 O ATOM 0 H GLU A 369 4.780 -4.482 9.807 1.00 0.00 H new ATOM 0 HA GLU A 369 6.501 -2.548 10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 369 7.960 -4.484 11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 369 7.865 -4.981 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 369 9.970 -3.845 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 369 8.976 -2.875 9.021 1.00 0.00 H new ATOM 257 N SER A 370 5.945 -3.759 7.922 1.00 0.00 N ATOM 258 CA SER A 370 5.731 -3.410 6.522 1.00 0.00 C ATOM 259 C SER A 370 4.501 -2.509 6.377 1.00 0.00 C ATOM 260 O SER A 370 4.415 -1.465 7.024 1.00 0.00 O ATOM 261 CB SER A 370 5.582 -4.681 5.680 1.00 0.00 C ATOM 262 OG SER A 370 4.440 -5.423 6.071 1.00 0.00 O ATOM 0 H SER A 370 5.757 -4.737 8.143 1.00 0.00 H new ATOM 0 HA SER A 370 6.598 -2.857 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 370 5.503 -4.415 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 370 6.474 -5.298 5.787 1.00 0.00 H new ATOM 0 HG SER A 370 4.367 -6.228 5.517 1.00 0.00 H new ATOM 268 N GLN A 371 3.550 -2.911 5.530 1.00 0.00 N ATOM 269 CA GLN A 371 2.336 -2.130 5.318 1.00 0.00 C ATOM 270 C GLN A 371 2.673 -0.731 4.812 1.00 0.00 C ATOM 271 O GLN A 371 2.173 0.268 5.331 1.00 0.00 O ATOM 272 CB GLN A 371 1.526 -2.042 6.614 1.00 0.00 C ATOM 273 CG GLN A 371 1.083 -3.395 7.147 1.00 0.00 C ATOM 274 CD GLN A 371 0.331 -3.301 8.465 1.00 0.00 C ATOM 275 OE1 GLN A 371 -0.131 -4.310 8.999 1.00 0.00 O ATOM 276 NE2 GLN A 371 0.207 -2.090 9.003 1.00 0.00 N ATOM 0 H GLN A 371 3.600 -3.770 4.983 1.00 0.00 H new ATOM 0 HA GLN A 371 1.735 -2.634 4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 371 2.125 -1.540 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 371 0.646 -1.423 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 371 0.447 -3.880 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 371 1.958 -4.031 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 371 0.604 -1.278 8.529 1.00 0.00 H new ATOM 0 HE22 GLN A 371 -0.285 -1.973 9.889 1.00 0.00 H new ATOM 285 N GLN A 372 3.529 -0.669 3.796 1.00 0.00 N ATOM 286 CA GLN A 372 3.942 0.603 3.212 1.00 0.00 C ATOM 287 C GLN A 372 2.733 1.413 2.752 1.00 0.00 C ATOM 288 O GLN A 372 1.802 0.874 2.154 1.00 0.00 O ATOM 289 CB GLN A 372 4.887 0.360 2.034 1.00 0.00 C ATOM 290 CG GLN A 372 6.145 -0.410 2.414 1.00 0.00 C ATOM 291 CD GLN A 372 7.081 -0.646 1.240 1.00 0.00 C ATOM 292 OE1 GLN A 372 8.147 -1.241 1.398 1.00 0.00 O ATOM 293 NE2 GLN A 372 6.691 -0.184 0.056 1.00 0.00 N ATOM 0 H GLN A 372 3.951 -1.488 3.359 1.00 0.00 H new ATOM 0 HA GLN A 372 4.465 1.174 3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 372 4.354 -0.190 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 372 5.174 1.320 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.678 0.139 3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.859 -1.371 2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 372 5.800 0.304 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 372 7.283 -0.318 -0.764 1.00 0.00 H new ATOM 302 N GLN A 373 2.756 2.712 3.041 1.00 0.00 N ATOM 303 CA GLN A 373 1.664 3.603 2.662 1.00 0.00 C ATOM 304 C GLN A 373 1.431 3.568 1.156 1.00 0.00 C ATOM 305 O GLN A 373 2.364 3.372 0.377 1.00 0.00 O ATOM 306 CB GLN A 373 1.968 5.035 3.104 1.00 0.00 C ATOM 307 CG GLN A 373 3.122 5.663 2.346 1.00 0.00 C ATOM 308 CD GLN A 373 3.439 7.068 2.819 1.00 0.00 C ATOM 309 OE1 GLN A 373 3.767 7.284 3.986 1.00 0.00 O ATOM 310 NE2 GLN A 373 3.342 8.033 1.912 1.00 0.00 N ATOM 0 H GLN A 373 3.520 3.171 3.537 1.00 0.00 H new ATOM 0 HA GLN A 373 0.759 3.258 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.077 5.647 2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.197 5.038 4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 373 4.008 5.038 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.882 5.688 1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.067 7.808 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 373 3.543 8.999 2.171 1.00 0.00 H new ATOM 319 N ALA A 374 0.181 3.758 0.753 1.00 0.00 N ATOM 320 CA ALA A 374 -0.178 3.749 -0.657 1.00 0.00 C ATOM 321 C ALA A 374 -0.907 5.029 -1.044 1.00 0.00 C ATOM 322 O ALA A 374 -1.795 5.491 -0.328 1.00 0.00 O ATOM 323 CB ALA A 374 -1.035 2.533 -0.973 1.00 0.00 C ATOM 0 H ALA A 374 -0.602 3.921 1.386 1.00 0.00 H new ATOM 0 HA ALA A 374 0.740 3.695 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -1.297 2.538 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 374 -0.478 1.625 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 374 -1.945 2.563 -0.374 1.00 0.00 H new ATOM 329 N ALA A 375 -0.530 5.594 -2.183 1.00 0.00 N ATOM 330 CA ALA A 375 -1.150 6.816 -2.674 1.00 0.00 C ATOM 331 C ALA A 375 -2.053 6.513 -3.856 1.00 0.00 C ATOM 332 O ALA A 375 -1.865 7.031 -4.957 1.00 0.00 O ATOM 333 CB ALA A 375 -0.093 7.845 -3.045 1.00 0.00 C ATOM 0 H ALA A 375 0.205 5.224 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 375 -1.762 7.238 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -0.579 8.750 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 375 0.507 8.083 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 375 0.551 7.440 -3.825 1.00 0.00 H new ATOM 339 N GLU A 376 -3.024 5.654 -3.608 1.00 0.00 N ATOM 340 CA GLU A 376 -3.972 5.236 -4.631 1.00 0.00 C ATOM 341 C GLU A 376 -4.936 6.364 -4.995 1.00 0.00 C ATOM 342 O GLU A 376 -4.637 7.540 -4.790 1.00 0.00 O ATOM 343 CB GLU A 376 -4.743 4.017 -4.131 1.00 0.00 C ATOM 344 CG GLU A 376 -3.838 2.942 -3.551 1.00 0.00 C ATOM 345 CD GLU A 376 -2.952 2.289 -4.598 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.085 2.633 -5.792 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.130 1.427 -4.224 1.00 0.00 O ATOM 0 H GLU A 376 -3.180 5.226 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.419 4.977 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.458 4.332 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.319 3.595 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.212 3.381 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.450 2.178 -3.072 1.00 0.00 H new ATOM 354 N THR A 377 -6.095 5.990 -5.536 1.00 0.00 N ATOM 355 CA THR A 377 -7.118 6.951 -5.941 1.00 0.00 C ATOM 356 C THR A 377 -8.497 6.306 -5.910 1.00 0.00 C ATOM 357 O THR A 377 -8.618 5.089 -6.019 1.00 0.00 O ATOM 358 CB THR A 377 -6.858 7.500 -7.359 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.793 6.420 -8.298 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.567 8.304 -7.415 1.00 0.00 C ATOM 0 H THR A 377 -6.350 5.017 -5.705 1.00 0.00 H new ATOM 0 HA THR A 377 -7.076 7.778 -5.232 1.00 0.00 H new ATOM 0 HB THR A 377 -7.684 8.162 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.629 6.777 -9.196 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.414 8.676 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.632 9.145 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.729 7.667 -7.132 1.00 0.00 H new ATOM 368 N GLU A 378 -9.535 7.124 -5.753 1.00 0.00 N ATOM 369 CA GLU A 378 -10.903 6.617 -5.700 1.00 0.00 C ATOM 370 C GLU A 378 -11.191 5.707 -6.883 1.00 0.00 C ATOM 371 O GLU A 378 -11.776 4.636 -6.726 1.00 0.00 O ATOM 372 CB GLU A 378 -11.903 7.774 -5.673 1.00 0.00 C ATOM 373 CG GLU A 378 -13.346 7.325 -5.502 1.00 0.00 C ATOM 374 CD GLU A 378 -14.327 8.480 -5.562 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.219 9.395 -4.720 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.203 8.468 -6.453 1.00 0.00 O ATOM 0 H GLU A 378 -9.455 8.137 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.011 6.036 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.642 8.450 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.815 8.342 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.593 6.603 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.452 6.812 -4.546 1.00 0.00 H new ATOM 383 N GLY A 379 -10.777 6.135 -8.065 1.00 0.00 N ATOM 384 CA GLY A 379 -11.000 5.343 -9.255 1.00 0.00 C ATOM 385 C GLY A 379 -10.271 4.018 -9.223 1.00 0.00 C ATOM 386 O GLY A 379 -10.802 3.001 -9.668 1.00 0.00 O ATOM 0 H GLY A 379 -10.290 7.018 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.069 5.162 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.677 5.909 -10.129 1.00 0.00 H new ATOM 390 N SER A 380 -9.051 4.028 -8.704 1.00 0.00 N ATOM 391 CA SER A 380 -8.251 2.813 -8.628 1.00 0.00 C ATOM 392 C SER A 380 -8.806 1.836 -7.593 1.00 0.00 C ATOM 393 O SER A 380 -8.987 0.655 -7.881 1.00 0.00 O ATOM 394 CB SER A 380 -6.806 3.150 -8.290 1.00 0.00 C ATOM 395 OG SER A 380 -6.009 1.980 -8.221 1.00 0.00 O ATOM 0 H SER A 380 -8.595 4.860 -8.331 1.00 0.00 H new ATOM 0 HA SER A 380 -8.294 2.333 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.401 3.825 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.766 3.677 -7.337 1.00 0.00 H new ATOM 0 HG SER A 380 -5.085 2.226 -8.004 1.00 0.00 H new ATOM 401 N CYS A 381 -9.064 2.336 -6.389 1.00 0.00 N ATOM 402 CA CYS A 381 -9.581 1.508 -5.300 1.00 0.00 C ATOM 403 C CYS A 381 -10.832 0.738 -5.713 1.00 0.00 C ATOM 404 O CYS A 381 -10.957 -0.454 -5.431 1.00 0.00 O ATOM 405 CB CYS A 381 -9.886 2.371 -4.077 1.00 0.00 C ATOM 406 SG CYS A 381 -8.434 3.203 -3.358 1.00 0.00 S ATOM 0 H CYS A 381 -8.923 3.315 -6.140 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.808 0.781 -5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.621 3.126 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.346 1.745 -3.312 1.00 0.00 H new ATOM 411 N ASN A 382 -11.757 1.426 -6.373 1.00 0.00 N ATOM 412 CA ASN A 382 -13.002 0.804 -6.815 1.00 0.00 C ATOM 413 C ASN A 382 -12.730 -0.455 -7.632 1.00 0.00 C ATOM 414 O ASN A 382 -13.542 -1.380 -7.658 1.00 0.00 O ATOM 415 CB ASN A 382 -13.823 1.788 -7.654 1.00 0.00 C ATOM 416 CG ASN A 382 -14.180 3.061 -6.904 1.00 0.00 C ATOM 417 OD1 ASN A 382 -14.847 3.942 -7.445 1.00 0.00 O ATOM 418 ND2 ASN A 382 -13.739 3.170 -5.655 1.00 0.00 N ATOM 0 H ASN A 382 -11.670 2.413 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.566 0.527 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.261 2.048 -8.551 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.740 1.298 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -13.951 4.006 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -13.189 2.418 -5.241 1.00 0.00 H new ATOM 425 N LYS A 383 -11.589 -0.475 -8.311 1.00 0.00 N ATOM 426 CA LYS A 383 -11.211 -1.608 -9.146 1.00 0.00 C ATOM 427 C LYS A 383 -10.510 -2.690 -8.330 1.00 0.00 C ATOM 428 O LYS A 383 -10.634 -3.880 -8.622 1.00 0.00 O ATOM 429 CB LYS A 383 -10.299 -1.134 -10.279 1.00 0.00 C ATOM 430 CG LYS A 383 -10.806 0.117 -10.987 1.00 0.00 C ATOM 431 CD LYS A 383 -12.208 -0.075 -11.550 1.00 0.00 C ATOM 432 CE LYS A 383 -12.242 -1.160 -12.615 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.347 -0.841 -13.761 1.00 0.00 N ATOM 0 H LYS A 383 -10.907 0.284 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.120 -2.040 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.306 -0.936 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.193 -1.937 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.807 0.954 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.123 0.378 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.892 -0.336 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.561 0.864 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.943 -2.111 -12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.263 -1.283 -12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.570 -1.468 -14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -11.489 0.149 -14.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.356 -0.981 -13.477 1.00 0.00 H new ATOM 447 N LYS A 384 -9.760 -2.267 -7.318 1.00 0.00 N ATOM 448 CA LYS A 384 -9.024 -3.190 -6.469 1.00 0.00 C ATOM 449 C LYS A 384 -9.952 -4.121 -5.697 1.00 0.00 C ATOM 450 O LYS A 384 -10.871 -3.672 -5.013 1.00 0.00 O ATOM 451 CB LYS A 384 -8.147 -2.396 -5.501 1.00 0.00 C ATOM 452 CG LYS A 384 -6.828 -1.909 -6.095 1.00 0.00 C ATOM 453 CD LYS A 384 -6.981 -1.320 -7.491 1.00 0.00 C ATOM 454 CE LYS A 384 -6.738 -2.361 -8.575 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.857 -1.779 -9.939 1.00 0.00 N ATOM 0 H LYS A 384 -9.647 -1.285 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.401 -3.815 -7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.710 -1.534 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.932 -3.018 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.396 -1.157 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.125 -2.741 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.983 -0.906 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.280 -0.495 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.744 -2.791 -8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.454 -3.175 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.566 -2.311 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.151 -0.784 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.937 -1.834 -10.422 1.00 0.00 H new ATOM 469 N ASP A 385 -9.689 -5.423 -5.800 1.00 0.00 N ATOM 470 CA ASP A 385 -10.485 -6.424 -5.098 1.00 0.00 C ATOM 471 C ASP A 385 -10.230 -6.332 -3.599 1.00 0.00 C ATOM 472 O ASP A 385 -9.451 -5.493 -3.156 1.00 0.00 O ATOM 473 CB ASP A 385 -10.146 -7.827 -5.605 1.00 0.00 C ATOM 474 CG ASP A 385 -10.407 -7.985 -7.090 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.784 -7.249 -7.884 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.235 -8.842 -7.460 1.00 0.00 O ATOM 0 H ASP A 385 -8.931 -5.808 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.540 -6.231 -5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.097 -8.041 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.735 -8.561 -5.055 1.00 0.00 H new ATOM 481 N GLN A 386 -10.886 -7.191 -2.824 1.00 0.00 N ATOM 482 CA GLN A 386 -10.717 -7.185 -1.372 1.00 0.00 C ATOM 483 C GLN A 386 -9.237 -7.153 -0.995 1.00 0.00 C ATOM 484 O GLN A 386 -8.802 -6.305 -0.215 1.00 0.00 O ATOM 485 CB GLN A 386 -11.386 -8.412 -0.752 1.00 0.00 C ATOM 486 CG GLN A 386 -11.273 -8.467 0.763 1.00 0.00 C ATOM 487 CD GLN A 386 -11.950 -9.687 1.355 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.583 -10.822 1.052 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.946 -9.460 2.204 1.00 0.00 N ATOM 0 H GLN A 386 -11.535 -7.896 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.193 -6.285 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.440 -8.420 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.938 -9.312 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.220 -8.468 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.717 -7.567 1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.218 -8.503 2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.439 -10.243 2.633 1.00 0.00 H new ATOM 498 N ASN A 387 -8.467 -8.076 -1.561 1.00 0.00 N ATOM 499 CA ASN A 387 -7.043 -8.155 -1.296 1.00 0.00 C ATOM 500 C ASN A 387 -6.314 -6.931 -1.846 1.00 0.00 C ATOM 501 O ASN A 387 -5.358 -6.443 -1.244 1.00 0.00 O ATOM 502 CB ASN A 387 -6.476 -9.427 -1.920 1.00 0.00 C ATOM 503 CG ASN A 387 -6.690 -9.483 -3.419 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.823 -9.450 -3.897 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.600 -9.573 -4.168 1.00 0.00 N ATOM 0 H ASN A 387 -8.812 -8.783 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.892 -8.180 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.409 -9.488 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.945 -10.295 -1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.681 -9.618 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.680 -9.597 -3.729 1.00 0.00 H new ATOM 512 N GLU A 388 -6.774 -6.444 -2.996 1.00 0.00 N ATOM 513 CA GLU A 388 -6.170 -5.280 -3.636 1.00 0.00 C ATOM 514 C GLU A 388 -6.612 -3.993 -2.961 1.00 0.00 C ATOM 515 O GLU A 388 -6.030 -2.934 -3.195 1.00 0.00 O ATOM 516 CB GLU A 388 -6.520 -5.250 -5.123 1.00 0.00 C ATOM 517 CG GLU A 388 -6.000 -6.453 -5.894 1.00 0.00 C ATOM 518 CD GLU A 388 -6.337 -6.393 -7.372 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.995 -5.418 -7.793 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.946 -7.323 -8.106 1.00 0.00 O ATOM 0 H GLU A 388 -7.565 -6.839 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.088 -5.360 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.603 -5.199 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.112 -4.341 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.918 -6.516 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.421 -7.363 -5.466 1.00 0.00 H new ATOM 527 N CYS A 389 -7.635 -4.085 -2.117 1.00 0.00 N ATOM 528 CA CYS A 389 -8.125 -2.914 -1.413 1.00 0.00 C ATOM 529 C CYS A 389 -6.994 -2.351 -0.562 1.00 0.00 C ATOM 530 O CYS A 389 -6.679 -2.877 0.506 1.00 0.00 O ATOM 531 CB CYS A 389 -9.337 -3.269 -0.551 1.00 0.00 C ATOM 532 SG CYS A 389 -10.354 -1.833 -0.073 1.00 0.00 S ATOM 0 H CYS A 389 -8.134 -4.950 -1.908 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.449 -2.160 -2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.961 -3.978 -1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.993 -3.774 0.352 1.00 0.00 H new ATOM 537 N LYS A 390 -6.361 -1.305 -1.074 1.00 0.00 N ATOM 538 CA LYS A 390 -5.226 -0.683 -0.407 1.00 0.00 C ATOM 539 C LYS A 390 -5.638 0.056 0.863 1.00 0.00 C ATOM 540 O LYS A 390 -6.813 0.365 1.067 1.00 0.00 O ATOM 541 CB LYS A 390 -4.523 0.254 -1.379 1.00 0.00 C ATOM 542 CG LYS A 390 -3.986 -0.460 -2.615 1.00 0.00 C ATOM 543 CD LYS A 390 -2.707 -1.225 -2.314 1.00 0.00 C ATOM 544 CE LYS A 390 -2.168 -1.913 -3.559 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.902 -2.649 -3.287 1.00 0.00 N ATOM 0 H LYS A 390 -6.618 -0.866 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.538 -1.470 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.218 1.033 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.699 0.749 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.741 -1.149 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.797 0.269 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.956 -0.541 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.899 -1.968 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.916 -2.608 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.995 -1.170 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.569 -3.103 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.180 -1.983 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.072 -3.376 -2.563 1.00 0.00 H new ATOM 559 N SER A 391 -4.654 0.309 1.723 1.00 0.00 N ATOM 560 CA SER A 391 -4.876 0.981 2.994 1.00 0.00 C ATOM 561 C SER A 391 -5.676 2.277 2.834 1.00 0.00 C ATOM 562 O SER A 391 -6.688 2.461 3.509 1.00 0.00 O ATOM 563 CB SER A 391 -3.533 1.265 3.663 1.00 0.00 C ATOM 564 OG SER A 391 -2.800 0.070 3.863 1.00 0.00 O ATOM 0 H SER A 391 -3.681 0.052 1.555 1.00 0.00 H new ATOM 0 HA SER A 391 -5.469 0.317 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.954 1.952 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.698 1.759 4.621 1.00 0.00 H new ATOM 0 HG SER A 391 -1.944 0.279 4.291 1.00 0.00 H new ATOM 570 N PRO A 392 -5.251 3.198 1.941 1.00 0.00 N ATOM 571 CA PRO A 392 -5.962 4.457 1.723 1.00 0.00 C ATOM 572 C PRO A 392 -7.419 4.215 1.347 1.00 0.00 C ATOM 573 O PRO A 392 -8.306 5.004 1.685 1.00 0.00 O ATOM 574 CB PRO A 392 -5.200 5.106 0.559 1.00 0.00 C ATOM 575 CG PRO A 392 -4.412 4.011 -0.056 1.00 0.00 C ATOM 576 CD PRO A 392 -4.068 3.099 1.072 1.00 0.00 C ATOM 0 HA PRO A 392 -5.990 5.080 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.887 5.548 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.550 5.907 0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.989 3.492 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.514 4.395 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.901 2.078 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.160 3.415 1.586 1.00 0.00 H new ATOM 584 N CYS A 393 -7.654 3.114 0.642 1.00 0.00 N ATOM 585 CA CYS A 393 -8.995 2.746 0.210 1.00 0.00 C ATOM 586 C CYS A 393 -9.842 2.299 1.400 1.00 0.00 C ATOM 587 O CYS A 393 -9.328 1.733 2.365 1.00 0.00 O ATOM 588 CB CYS A 393 -8.936 1.616 -0.815 1.00 0.00 C ATOM 589 SG CYS A 393 -7.656 1.819 -2.098 1.00 0.00 S ATOM 0 H CYS A 393 -6.927 2.458 0.357 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.451 3.625 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.760 0.677 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.908 1.533 -1.301 1.00 0.00 H new ATOM 594 N LYS A 394 -11.142 2.547 1.316 1.00 0.00 N ATOM 595 CA LYS A 394 -12.072 2.160 2.374 1.00 0.00 C ATOM 596 C LYS A 394 -12.848 0.908 1.988 1.00 0.00 C ATOM 597 O LYS A 394 -13.580 0.893 0.993 1.00 0.00 O ATOM 598 CB LYS A 394 -13.041 3.303 2.692 1.00 0.00 C ATOM 599 CG LYS A 394 -12.412 4.445 3.474 1.00 0.00 C ATOM 600 CD LYS A 394 -11.949 3.999 4.851 1.00 0.00 C ATOM 601 CE LYS A 394 -13.108 3.493 5.692 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.131 4.550 5.924 1.00 0.00 N ATOM 0 H LYS A 394 -11.580 3.016 0.523 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.486 1.941 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.445 3.694 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.882 2.906 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.564 4.843 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.134 5.255 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -11.202 3.212 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.465 4.832 5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.573 2.642 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.732 3.136 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.795 4.235 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.662 5.425 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.652 4.729 5.042 1.00 0.00 H new ATOM 616 N TRP A 395 -12.675 -0.139 2.791 1.00 0.00 N ATOM 617 CA TRP A 395 -13.343 -1.413 2.561 1.00 0.00 C ATOM 618 C TRP A 395 -14.740 -1.423 3.175 1.00 0.00 C ATOM 619 O TRP A 395 -14.988 -0.775 4.192 1.00 0.00 O ATOM 620 CB TRP A 395 -12.507 -2.554 3.150 1.00 0.00 C ATOM 621 CG TRP A 395 -13.075 -3.915 2.883 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.400 -4.861 3.813 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.372 -4.489 1.604 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.888 -5.985 3.191 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.879 -5.782 1.836 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.261 -4.036 0.284 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.274 -6.624 0.799 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.653 -4.874 -0.742 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.154 -6.156 -0.480 1.00 0.00 C ATOM 0 H TRP A 395 -12.072 -0.127 3.613 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.444 -1.553 1.485 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.499 -2.504 2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.420 -2.411 4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.290 -4.743 4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.205 -6.833 3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.876 -3.050 0.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.662 -7.612 0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.572 -4.535 -1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.451 -6.787 -1.305 1.00 0.00 H new ATOM 640 N HIS A 396 -15.648 -2.172 2.556 1.00 0.00 N ATOM 641 CA HIS A 396 -17.019 -2.280 3.046 1.00 0.00 C ATOM 642 C HIS A 396 -17.540 -3.701 2.862 1.00 0.00 C ATOM 643 O HIS A 396 -17.619 -4.204 1.739 1.00 0.00 O ATOM 644 CB HIS A 396 -17.931 -1.295 2.311 1.00 0.00 C ATOM 645 CG HIS A 396 -17.544 0.139 2.498 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.493 0.750 3.733 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.190 1.086 1.598 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.125 2.010 3.584 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.935 2.239 2.299 1.00 0.00 N ATOM 0 H HIS A 396 -15.459 -2.714 1.713 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.021 -2.037 4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.920 -1.529 1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.955 -1.434 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.121 0.959 0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.001 2.730 4.379 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.646 3.128 1.892 1.00 0.00 H new ATOM 658 N ASN A 397 -17.886 -4.343 3.976 1.00 0.00 N ATOM 659 CA ASN A 397 -18.392 -5.710 3.951 1.00 0.00 C ATOM 660 C ASN A 397 -19.907 -5.739 3.777 1.00 0.00 C ATOM 661 O ASN A 397 -20.620 -4.880 4.296 1.00 0.00 O ATOM 662 CB ASN A 397 -18.006 -6.446 5.236 1.00 0.00 C ATOM 663 CG ASN A 397 -18.628 -5.820 6.469 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.379 -4.656 6.783 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.446 -6.593 7.175 1.00 0.00 N ATOM 0 H ASN A 397 -17.824 -3.935 4.909 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.939 -6.213 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.319 -7.487 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.921 -6.446 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.896 -6.227 8.014 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.624 -7.552 6.878 1.00 0.00 H new ATOM 672 N ASP A 398 -20.387 -6.742 3.047 1.00 0.00 N ATOM 673 CA ASP A 398 -21.815 -6.907 2.799 1.00 0.00 C ATOM 674 C ASP A 398 -22.405 -5.684 2.107 1.00 0.00 C ATOM 675 O ASP A 398 -23.591 -5.389 2.253 1.00 0.00 O ATOM 676 CB ASP A 398 -22.555 -7.168 4.113 1.00 0.00 C ATOM 677 CG ASP A 398 -22.081 -8.432 4.806 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.880 -8.513 5.137 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.913 -9.340 5.018 1.00 0.00 O ATOM 0 H ASP A 398 -19.803 -7.457 2.614 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.940 -7.765 2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.415 -6.317 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.624 -7.245 3.915 1.00 0.00 H new ATOM 684 N ALA A 399 -21.575 -4.982 1.343 1.00 0.00 N ATOM 685 CA ALA A 399 -22.026 -3.801 0.621 1.00 0.00 C ATOM 686 C ALA A 399 -22.706 -4.201 -0.685 1.00 0.00 C ATOM 687 O ALA A 399 -23.217 -5.314 -0.809 1.00 0.00 O ATOM 688 CB ALA A 399 -20.849 -2.871 0.349 1.00 0.00 C ATOM 0 H ALA A 399 -20.590 -5.210 1.209 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.753 -3.271 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.198 -1.991 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.403 -2.563 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.104 -3.393 -0.251 1.00 0.00 H new ATOM 694 N GLU A 400 -22.693 -3.298 -1.659 1.00 0.00 N ATOM 695 CA GLU A 400 -23.291 -3.574 -2.959 1.00 0.00 C ATOM 696 C GLU A 400 -22.334 -4.405 -3.808 1.00 0.00 C ATOM 697 O GLU A 400 -21.825 -3.936 -4.827 1.00 0.00 O ATOM 698 CB GLU A 400 -23.657 -2.268 -3.672 1.00 0.00 C ATOM 699 CG GLU A 400 -22.499 -1.291 -3.802 1.00 0.00 C ATOM 700 CD GLU A 400 -22.892 -0.010 -4.512 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.073 0.117 -4.902 1.00 0.00 O ATOM 702 OE2 GLU A 400 -22.019 0.867 -4.680 1.00 0.00 O ATOM 0 H GLU A 400 -22.276 -2.371 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.208 -4.144 -2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.035 -2.502 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.469 -1.784 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.119 -1.050 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -21.685 -1.769 -4.347 1.00 0.00 H new ATOM 709 N ASN A 401 -22.073 -5.634 -3.349 1.00 0.00 N ATOM 710 CA ASN A 401 -21.154 -6.551 -4.021 1.00 0.00 C ATOM 711 C ASN A 401 -19.726 -6.182 -3.663 1.00 0.00 C ATOM 712 O ASN A 401 -18.829 -6.187 -4.508 1.00 0.00 O ATOM 713 CB ASN A 401 -21.355 -6.525 -5.536 1.00 0.00 C ATOM 714 CG ASN A 401 -22.772 -6.880 -5.928 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.154 -8.050 -5.942 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.569 -5.860 -6.207 1.00 0.00 N ATOM 0 H ASN A 401 -22.493 -6.018 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.361 -7.566 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.112 -5.533 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.663 -7.225 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.546 -6.027 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.206 -4.907 -6.182 1.00 0.00 H new ATOM 723 N LYS A 402 -19.545 -5.854 -2.387 1.00 0.00 N ATOM 724 CA LYS A 402 -18.246 -5.461 -1.843 1.00 0.00 C ATOM 725 C LYS A 402 -17.846 -4.077 -2.339 1.00 0.00 C ATOM 726 O LYS A 402 -17.949 -3.781 -3.529 1.00 0.00 O ATOM 727 CB LYS A 402 -17.170 -6.488 -2.213 1.00 0.00 C ATOM 728 CG LYS A 402 -17.491 -7.902 -1.753 1.00 0.00 C ATOM 729 CD LYS A 402 -17.623 -7.985 -0.241 1.00 0.00 C ATOM 730 CE LYS A 402 -17.990 -9.389 0.211 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.293 -9.834 -0.359 1.00 0.00 N ATOM 0 H LYS A 402 -20.297 -5.853 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.334 -5.426 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.037 -6.489 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.220 -6.180 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.419 -8.234 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.706 -8.580 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.684 -7.686 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.384 -7.282 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.206 -10.084 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.041 -9.418 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.631 -10.670 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.990 -9.067 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.168 -10.075 -1.363 1.00 0.00 H new ATOM 745 N LYS A 403 -17.400 -3.226 -1.418 1.00 0.00 N ATOM 746 CA LYS A 403 -17.001 -1.869 -1.771 1.00 0.00 C ATOM 747 C LYS A 403 -15.619 -1.515 -1.226 1.00 0.00 C ATOM 748 O LYS A 403 -15.280 -1.843 -0.090 1.00 0.00 O ATOM 749 CB LYS A 403 -18.033 -0.866 -1.258 1.00 0.00 C ATOM 750 CG LYS A 403 -19.358 -0.927 -1.999 1.00 0.00 C ATOM 751 CD LYS A 403 -19.211 -0.492 -3.450 1.00 0.00 C ATOM 752 CE LYS A 403 -18.794 0.967 -3.560 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.794 1.877 -2.937 1.00 0.00 N ATOM 0 H LYS A 403 -17.307 -3.452 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.950 -1.820 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.210 -1.049 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.624 0.141 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.750 -1.944 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.085 -0.287 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.471 -1.120 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.156 -0.641 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.826 1.106 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.667 1.231 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.574 2.861 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.745 1.635 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.762 1.772 -1.903 1.00 0.00 H new ATOM 767 N CYS A 404 -14.837 -0.826 -2.051 1.00 0.00 N ATOM 768 CA CYS A 404 -13.491 -0.394 -1.680 1.00 0.00 C ATOM 769 C CYS A 404 -13.256 1.024 -2.187 1.00 0.00 C ATOM 770 O CYS A 404 -12.418 1.253 -3.058 1.00 0.00 O ATOM 771 CB CYS A 404 -12.434 -1.343 -2.260 1.00 0.00 C ATOM 772 SG CYS A 404 -10.718 -0.890 -1.841 1.00 0.00 S ATOM 0 H CYS A 404 -15.116 -0.551 -2.993 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.403 -0.412 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.630 -2.353 -1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.538 -1.366 -3.345 1.00 0.00 H new ATOM 777 N THR A 405 -14.025 1.973 -1.656 1.00 0.00 N ATOM 778 CA THR A 405 -13.918 3.368 -2.078 1.00 0.00 C ATOM 779 C THR A 405 -12.799 4.103 -1.354 1.00 0.00 C ATOM 780 O THR A 405 -12.720 4.088 -0.129 1.00 0.00 O ATOM 781 CB THR A 405 -15.234 4.130 -1.858 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.585 4.118 -0.469 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.359 3.517 -2.679 1.00 0.00 C ATOM 0 H THR A 405 -14.726 1.802 -0.935 1.00 0.00 H new ATOM 0 HA THR A 405 -13.690 3.340 -3.143 1.00 0.00 H new ATOM 0 HB THR A 405 -15.089 5.160 -2.184 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.774 4.022 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.280 4.074 -2.507 1.00 0.00 H new ATOM 0 HG22 THR A 405 -16.102 3.560 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.502 2.478 -2.382 1.00 0.00 H new ATOM 791 N LEU A 406 -11.951 4.763 -2.131 1.00 0.00 N ATOM 792 CA LEU A 406 -10.831 5.523 -1.595 1.00 0.00 C ATOM 793 C LEU A 406 -11.317 6.685 -0.744 1.00 0.00 C ATOM 794 O LEU A 406 -12.321 7.326 -1.059 1.00 0.00 O ATOM 795 CB LEU A 406 -9.964 6.037 -2.745 1.00 0.00 C ATOM 796 CG LEU A 406 -8.652 6.722 -2.353 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.892 8.154 -1.907 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.946 5.934 -1.266 1.00 0.00 C ATOM 0 H LEU A 406 -12.020 4.786 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.238 4.866 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.729 5.197 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.555 6.741 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.010 6.750 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.942 8.614 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.348 8.717 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.558 8.160 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.015 6.435 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.588 5.870 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.726 4.930 -1.629 1.00 0.00 H new ATOM 810 N ASP A 407 -10.591 6.956 0.331 1.00 0.00 N ATOM 811 CA ASP A 407 -10.935 8.051 1.227 1.00 0.00 C ATOM 812 C ASP A 407 -9.804 9.072 1.267 1.00 0.00 C ATOM 813 O ASP A 407 -8.650 8.723 1.506 1.00 0.00 O ATOM 814 CB ASP A 407 -11.220 7.518 2.632 1.00 0.00 C ATOM 815 CG ASP A 407 -11.814 8.574 3.544 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.154 9.610 3.764 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.942 8.364 4.038 1.00 0.00 O ATOM 0 H ASP A 407 -9.759 6.432 0.604 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.834 8.540 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.906 6.673 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.295 7.143 3.070 1.00 0.00 H new ATOM 822 N LYS A 408 -10.142 10.333 1.021 1.00 0.00 N ATOM 823 CA LYS A 408 -9.152 11.404 1.016 1.00 0.00 C ATOM 824 C LYS A 408 -8.573 11.637 2.410 1.00 0.00 C ATOM 825 O LYS A 408 -7.364 11.791 2.570 1.00 0.00 O ATOM 826 CB LYS A 408 -9.777 12.698 0.489 1.00 0.00 C ATOM 827 CG LYS A 408 -10.318 12.582 -0.928 1.00 0.00 C ATOM 828 CD LYS A 408 -9.215 12.271 -1.928 1.00 0.00 C ATOM 829 CE LYS A 408 -9.768 12.133 -3.337 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.445 13.378 -3.794 1.00 0.00 N ATOM 0 H LYS A 408 -11.095 10.639 0.822 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.338 11.101 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.587 12.997 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.030 13.491 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.075 11.798 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.810 13.514 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.467 13.063 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -8.711 11.348 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -8.957 11.889 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.474 11.303 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.596 13.334 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.362 13.471 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.850 14.200 -3.567 1.00 0.00 H new ATOM 844 N GLU A 409 -9.447 11.675 3.410 1.00 0.00 N ATOM 845 CA GLU A 409 -9.030 11.905 4.791 1.00 0.00 C ATOM 846 C GLU A 409 -8.125 10.789 5.307 1.00 0.00 C ATOM 847 O GLU A 409 -7.111 11.050 5.956 1.00 0.00 O ATOM 848 CB GLU A 409 -10.256 12.040 5.695 1.00 0.00 C ATOM 849 CG GLU A 409 -11.161 13.209 5.334 1.00 0.00 C ATOM 850 CD GLU A 409 -10.480 14.555 5.504 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.475 14.807 4.807 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.956 15.357 6.335 1.00 0.00 O ATOM 0 H GLU A 409 -10.452 11.549 3.291 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.457 12.832 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.834 11.117 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.924 12.155 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.491 13.102 4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.054 13.177 5.958 1.00 0.00 H new ATOM 859 N GLU A 410 -8.496 9.544 5.032 1.00 0.00 N ATOM 860 CA GLU A 410 -7.712 8.405 5.488 1.00 0.00 C ATOM 861 C GLU A 410 -6.405 8.294 4.713 1.00 0.00 C ATOM 862 O GLU A 410 -5.352 8.050 5.297 1.00 0.00 O ATOM 863 CB GLU A 410 -8.519 7.110 5.361 1.00 0.00 C ATOM 864 CG GLU A 410 -7.779 5.886 5.873 1.00 0.00 C ATOM 865 CD GLU A 410 -8.657 4.651 5.927 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.650 4.662 6.684 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.353 3.674 5.211 1.00 0.00 O ATOM 0 H GLU A 410 -9.330 9.299 4.498 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.471 8.563 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.453 7.217 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.782 6.955 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.922 5.689 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.389 6.093 6.869 1.00 0.00 H new ATOM 874 N ALA A 411 -6.477 8.475 3.398 1.00 0.00 N ATOM 875 CA ALA A 411 -5.290 8.392 2.552 1.00 0.00 C ATOM 876 C ALA A 411 -4.216 9.377 2.997 1.00 0.00 C ATOM 877 O ALA A 411 -3.047 9.012 3.124 1.00 0.00 O ATOM 878 CB ALA A 411 -5.658 8.634 1.096 1.00 0.00 C ATOM 0 H ALA A 411 -7.341 8.679 2.896 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.882 7.386 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.762 8.569 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.377 7.882 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.099 9.625 0.992 1.00 0.00 H new ATOM 884 N LYS A 412 -4.610 10.627 3.233 1.00 0.00 N ATOM 885 CA LYS A 412 -3.661 11.646 3.662 1.00 0.00 C ATOM 886 C LYS A 412 -3.058 11.286 5.017 1.00 0.00 C ATOM 887 O LYS A 412 -1.866 11.482 5.243 1.00 0.00 O ATOM 888 CB LYS A 412 -4.323 13.034 3.698 1.00 0.00 C ATOM 889 CG LYS A 412 -5.532 13.142 4.618 1.00 0.00 C ATOM 890 CD LYS A 412 -5.135 13.410 6.064 1.00 0.00 C ATOM 891 CE LYS A 412 -4.431 14.750 6.216 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.054 15.024 7.630 1.00 0.00 N ATOM 0 H LYS A 412 -5.571 10.954 3.135 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.851 11.685 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.580 13.767 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.629 13.301 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.182 13.943 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.109 12.218 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.024 13.393 6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.480 12.613 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -3.536 14.762 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.083 15.545 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -3.577 15.946 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.910 15.038 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -3.412 14.280 7.968 1.00 0.00 H new ATOM 906 N LYS A 413 -3.887 10.758 5.915 1.00 0.00 N ATOM 907 CA LYS A 413 -3.434 10.371 7.238 1.00 0.00 C ATOM 908 C LYS A 413 -2.405 9.246 7.163 1.00 0.00 C ATOM 909 O LYS A 413 -1.356 9.306 7.805 1.00 0.00 O ATOM 910 CB LYS A 413 -4.627 9.919 8.074 1.00 0.00 C ATOM 911 CG LYS A 413 -4.292 9.766 9.539 1.00 0.00 C ATOM 912 CD LYS A 413 -5.485 9.276 10.346 1.00 0.00 C ATOM 913 CE LYS A 413 -5.120 9.081 11.810 1.00 0.00 C ATOM 914 NZ LYS A 413 -4.039 8.071 11.983 1.00 0.00 N ATOM 0 H LYS A 413 -4.878 10.590 5.744 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.960 11.235 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.436 10.641 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.995 8.968 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -3.465 9.064 9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.954 10.723 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.301 9.994 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.846 8.335 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.799 10.032 12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.003 8.766 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -4.004 7.767 12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -4.232 7.249 11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -3.126 8.491 11.717 1.00 0.00 H new ATOM 928 N VAL A 414 -2.718 8.220 6.377 1.00 0.00 N ATOM 929 CA VAL A 414 -1.831 7.073 6.217 1.00 0.00 C ATOM 930 C VAL A 414 -0.471 7.497 5.674 1.00 0.00 C ATOM 931 O VAL A 414 0.570 7.094 6.193 1.00 0.00 O ATOM 932 CB VAL A 414 -2.443 6.019 5.274 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.495 4.841 5.099 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.791 5.551 5.798 1.00 0.00 C ATOM 0 H VAL A 414 -3.583 8.160 5.839 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.701 6.635 7.206 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.597 6.480 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.945 4.108 4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.554 5.191 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -1.305 4.379 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -4.207 4.807 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.664 5.109 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -4.470 6.401 5.865 1.00 0.00 H new ATOM 944 N ALA A 415 -0.487 8.312 4.628 1.00 0.00 N ATOM 945 CA ALA A 415 0.743 8.792 4.014 1.00 0.00 C ATOM 946 C ALA A 415 1.510 9.706 4.964 1.00 0.00 C ATOM 947 O ALA A 415 2.738 9.656 5.033 1.00 0.00 O ATOM 948 CB ALA A 415 0.434 9.517 2.713 1.00 0.00 C ATOM 0 H ALA A 415 -1.340 8.655 4.186 1.00 0.00 H new ATOM 0 HA ALA A 415 1.373 7.930 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.362 9.871 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.064 8.834 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.218 10.367 2.916 1.00 0.00 H new ATOM 954 N ASP A 416 0.775 10.543 5.691 1.00 0.00 N ATOM 955 CA ASP A 416 1.384 11.478 6.637 1.00 0.00 C ATOM 956 C ASP A 416 1.717 10.799 7.963 1.00 0.00 C ATOM 957 O ASP A 416 1.748 11.446 9.011 1.00 0.00 O ATOM 958 CB ASP A 416 0.452 12.667 6.881 1.00 0.00 C ATOM 959 CG ASP A 416 0.193 13.470 5.620 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.741 13.105 4.558 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.559 14.464 5.694 1.00 0.00 O ATOM 0 H ASP A 416 -0.243 10.594 5.644 1.00 0.00 H new ATOM 0 HA ASP A 416 2.316 11.832 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.496 12.306 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.889 13.317 7.639 1.00 0.00 H new ATOM 966 N GLU A 417 1.980 9.499 7.910 1.00 0.00 N ATOM 967 CA GLU A 417 2.325 8.738 9.089 1.00 0.00 C ATOM 968 C GLU A 417 3.829 8.784 9.317 1.00 0.00 C ATOM 969 O GLU A 417 4.298 8.843 10.454 1.00 0.00 O ATOM 970 CB GLU A 417 1.863 7.293 8.923 1.00 0.00 C ATOM 971 CG GLU A 417 2.151 6.438 10.133 1.00 0.00 C ATOM 972 CD GLU A 417 1.620 5.024 9.995 1.00 0.00 C ATOM 973 OE1 GLU A 417 2.043 4.320 9.053 1.00 0.00 O ATOM 974 OE2 GLU A 417 0.785 4.619 10.830 1.00 0.00 O ATOM 0 H GLU A 417 1.959 8.951 7.050 1.00 0.00 H new ATOM 0 HA GLU A 417 1.826 9.174 9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 417 0.792 7.281 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.354 6.858 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.228 6.402 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.708 6.903 11.014 1.00 0.00 H new ATOM 981 N THR A 418 4.576 8.757 8.218 1.00 0.00 N ATOM 982 CA THR A 418 6.032 8.794 8.270 1.00 0.00 C ATOM 983 C THR A 418 6.541 10.199 8.582 1.00 0.00 C ATOM 984 O THR A 418 7.614 10.595 8.126 1.00 0.00 O ATOM 985 CB THR A 418 6.639 8.330 6.934 1.00 0.00 C ATOM 986 OG1 THR A 418 6.372 9.298 5.912 1.00 0.00 O ATOM 987 CG2 THR A 418 6.059 6.987 6.520 1.00 0.00 C ATOM 0 H THR A 418 4.193 8.709 7.274 1.00 0.00 H new ATOM 0 HA THR A 418 6.341 8.118 9.067 1.00 0.00 H new ATOM 0 HB THR A 418 7.716 8.225 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.763 8.996 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 418 6.501 6.676 5.573 1.00 0.00 H new ATOM 0 HG22 THR A 418 6.281 6.243 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 418 4.979 7.077 6.404 1.00 0.00 H new ATOM 995 N ALA A 419 5.765 10.949 9.360 1.00 0.00 N ATOM 996 CA ALA A 419 6.139 12.309 9.732 1.00 0.00 C ATOM 997 C ALA A 419 5.207 12.858 10.807 1.00 0.00 C ATOM 998 O ALA A 419 5.655 13.483 11.769 1.00 0.00 O ATOM 999 CB ALA A 419 6.122 13.215 8.510 1.00 0.00 C ATOM 0 H ALA A 419 4.873 10.637 9.745 1.00 0.00 H new ATOM 0 HA ALA A 419 7.150 12.282 10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 419 6.403 14.227 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.830 12.842 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.121 13.227 8.080 1.00 0.00 H new ATOM 1005 N LYS A 420 3.910 12.618 10.634 1.00 0.00 N ATOM 1006 CA LYS A 420 2.906 13.085 11.585 1.00 0.00 C ATOM 1007 C LYS A 420 2.964 14.602 11.738 1.00 0.00 C ATOM 1008 O LYS A 420 2.930 15.127 12.852 1.00 0.00 O ATOM 1009 CB LYS A 420 3.105 12.413 12.946 1.00 0.00 C ATOM 1010 CG LYS A 420 2.998 10.896 12.896 1.00 0.00 C ATOM 1011 CD LYS A 420 3.219 10.272 14.266 1.00 0.00 C ATOM 1012 CE LYS A 420 4.631 10.519 14.773 1.00 0.00 C ATOM 1013 NZ LYS A 420 4.852 9.917 16.116 1.00 0.00 N ATOM 0 H LYS A 420 3.529 12.101 9.841 1.00 0.00 H new ATOM 0 HA LYS A 420 1.924 12.815 11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 420 4.084 12.687 13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 420 2.363 12.799 13.645 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.015 10.612 12.521 1.00 0.00 H new ATOM 0 HG3 LYS A 420 3.733 10.502 12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 420 2.500 10.684 14.974 1.00 0.00 H new ATOM 0 HD3 LYS A 420 3.034 9.199 14.212 1.00 0.00 H new ATOM 0 HE2 LYS A 420 5.349 10.103 14.066 1.00 0.00 H new ATOM 0 HE3 LYS A 420 4.817 11.592 14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 5.826 10.108 16.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 4.185 10.333 16.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 4.700 8.889 16.065 1.00 0.00 H new ATOM 1027 N ASP A 421 3.047 15.302 10.609 1.00 0.00 N ATOM 1028 CA ASP A 421 3.106 16.759 10.612 1.00 0.00 C ATOM 1029 C ASP A 421 2.996 17.309 9.194 1.00 0.00 C ATOM 1030 O ASP A 421 2.268 18.272 8.946 1.00 0.00 O ATOM 1031 CB ASP A 421 4.408 17.239 11.259 1.00 0.00 C ATOM 1032 CG ASP A 421 4.516 18.750 11.292 1.00 0.00 C ATOM 1033 OD1 ASP A 421 3.638 19.395 11.903 1.00 0.00 O ATOM 1034 OD2 ASP A 421 5.480 19.289 10.708 1.00 0.00 O ATOM 0 H ASP A 421 3.075 14.882 9.680 1.00 0.00 H new ATOM 0 HA ASP A 421 2.263 17.130 11.194 1.00 0.00 H new ATOM 0 HB2 ASP A 421 4.469 16.851 12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 421 5.256 16.829 10.710 1.00 0.00 H new ATOM 1039 N GLY A 422 3.721 16.692 8.266 1.00 0.00 N ATOM 1040 CA GLY A 422 3.689 17.133 6.884 1.00 0.00 C ATOM 1041 C GLY A 422 4.612 16.325 5.993 1.00 0.00 C ATOM 1042 O GLY A 422 4.641 15.096 6.071 1.00 0.00 O ATOM 0 H GLY A 422 4.330 15.894 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 422 2.669 17.059 6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 422 3.972 18.185 6.835 1.00 0.00 H new ATOM 1046 N LYS A 423 5.368 17.018 5.145 1.00 0.00 N ATOM 1047 CA LYS A 423 6.298 16.359 4.232 1.00 0.00 C ATOM 1048 C LYS A 423 7.172 17.382 3.512 1.00 0.00 C ATOM 1049 O LYS A 423 8.369 17.165 3.323 1.00 0.00 O ATOM 1050 CB LYS A 423 5.531 15.510 3.213 1.00 0.00 C ATOM 1051 CG LYS A 423 4.590 16.314 2.328 1.00 0.00 C ATOM 1052 CD LYS A 423 3.798 15.416 1.388 1.00 0.00 C ATOM 1053 CE LYS A 423 4.710 14.625 0.463 1.00 0.00 C ATOM 1054 NZ LYS A 423 5.546 15.517 -0.389 1.00 0.00 N ATOM 0 H LYS A 423 5.355 18.035 5.071 1.00 0.00 H new ATOM 0 HA LYS A 423 6.946 15.708 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 423 6.246 14.982 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 423 4.956 14.752 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 423 3.902 16.885 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 423 5.164 17.034 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 423 3.186 14.728 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 423 3.115 16.023 0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 423 5.357 13.979 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 423 4.108 13.976 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 6.012 14.954 -1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 4.943 16.239 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 6.267 15.982 0.198 1.00 0.00 H new ATOM 1068 N THR A 424 6.568 18.498 3.113 1.00 0.00 N ATOM 1069 CA THR A 424 7.293 19.554 2.415 1.00 0.00 C ATOM 1070 C THR A 424 8.454 20.072 3.256 1.00 0.00 C ATOM 1071 O THR A 424 8.301 20.325 4.452 1.00 0.00 O ATOM 1072 CB THR A 424 6.365 20.732 2.062 1.00 0.00 C ATOM 1073 OG1 THR A 424 5.812 21.295 3.259 1.00 0.00 O ATOM 1074 CG2 THR A 424 5.239 20.280 1.143 1.00 0.00 C ATOM 0 H THR A 424 5.578 18.694 3.261 1.00 0.00 H new ATOM 0 HA THR A 424 7.681 19.117 1.495 1.00 0.00 H new ATOM 0 HB THR A 424 6.955 21.487 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 424 5.225 22.044 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 424 4.598 21.130 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 424 5.660 19.878 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 424 4.651 19.508 1.640 1.00 0.00 H new ATOM 1082 N GLY A 425 9.615 20.226 2.626 1.00 0.00 N ATOM 1083 CA GLY A 425 10.785 20.713 3.333 1.00 0.00 C ATOM 1084 C GLY A 425 10.591 22.115 3.877 1.00 0.00 C ATOM 1085 O GLY A 425 10.107 23.000 3.171 1.00 0.00 O ATOM 0 H GLY A 425 9.766 20.022 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 425 11.017 20.036 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 425 11.643 20.703 2.660 1.00 0.00 H new ATOM 1089 N ASN A 426 10.969 22.317 5.135 1.00 0.00 N ATOM 1090 CA ASN A 426 10.834 23.619 5.777 1.00 0.00 C ATOM 1091 C ASN A 426 11.723 24.658 5.099 1.00 0.00 C ATOM 1092 O ASN A 426 12.902 24.410 4.847 1.00 0.00 O ATOM 1093 CB ASN A 426 11.186 23.514 7.261 1.00 0.00 C ATOM 1094 CG ASN A 426 11.036 24.837 7.987 1.00 0.00 C ATOM 1095 OD1 ASN A 426 9.951 25.414 8.031 1.00 0.00 O ATOM 1096 ND2 ASN A 426 12.130 25.324 8.562 1.00 0.00 N ATOM 0 H ASN A 426 11.372 21.594 5.731 1.00 0.00 H new ATOM 0 HA ASN A 426 9.797 23.941 5.678 1.00 0.00 H new ATOM 0 HB2 ASN A 426 10.544 22.770 7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 426 12.212 23.161 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 426 12.090 26.210 9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 426 13.010 24.811 8.500 1.00 0.00 H new ATOM 1103 N THR A 427 11.149 25.822 4.806 1.00 0.00 N ATOM 1104 CA THR A 427 11.885 26.901 4.157 1.00 0.00 C ATOM 1105 C THR A 427 12.907 27.522 5.111 1.00 0.00 C ATOM 1106 O THR A 427 13.566 26.805 5.865 1.00 0.00 O ATOM 1107 CB THR A 427 10.929 27.993 3.640 1.00 0.00 C ATOM 1108 OG1 THR A 427 10.183 28.550 4.731 1.00 0.00 O ATOM 1109 CG2 THR A 427 9.971 27.427 2.603 1.00 0.00 C ATOM 0 H THR A 427 10.174 26.041 5.009 1.00 0.00 H new ATOM 0 HA THR A 427 12.414 26.467 3.309 1.00 0.00 H new ATOM 0 HB THR A 427 11.527 28.775 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 427 9.579 29.244 4.394 1.00 0.00 H new ATOM 0 HG21 THR A 427 9.306 28.216 2.253 1.00 0.00 H new ATOM 0 HG22 THR A 427 10.539 27.031 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 427 9.381 26.628 3.051 1.00 0.00 H new ATOM 1117 N ASN A 428 13.033 28.855 5.066 1.00 0.00 N ATOM 1118 CA ASN A 428 13.972 29.590 5.917 1.00 0.00 C ATOM 1119 C ASN A 428 15.398 29.456 5.388 1.00 0.00 C ATOM 1120 O ASN A 428 16.120 30.446 5.276 1.00 0.00 O ATOM 1121 CB ASN A 428 13.896 29.103 7.370 1.00 0.00 C ATOM 1122 CG ASN A 428 14.747 29.925 8.326 1.00 0.00 C ATOM 1123 OD1 ASN A 428 14.868 29.590 9.504 1.00 0.00 O ATOM 1124 ND2 ASN A 428 15.330 31.016 7.834 1.00 0.00 N ATOM 0 H ASN A 428 12.489 29.450 4.441 1.00 0.00 H new ATOM 0 HA ASN A 428 13.689 30.642 5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 428 12.858 29.132 7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 428 14.215 28.062 7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 428 15.900 31.607 8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 428 15.206 31.261 6.852 1.00 0.00 H new ATOM 1131 N THR A 429 15.794 28.233 5.052 1.00 0.00 N ATOM 1132 CA THR A 429 17.126 27.988 4.522 1.00 0.00 C ATOM 1133 C THR A 429 17.295 28.672 3.171 1.00 0.00 C ATOM 1134 O THR A 429 16.487 28.469 2.264 1.00 0.00 O ATOM 1135 CB THR A 429 17.403 26.482 4.364 1.00 0.00 C ATOM 1136 OG1 THR A 429 16.451 25.902 3.464 1.00 0.00 O ATOM 1137 CG2 THR A 429 17.331 25.774 5.709 1.00 0.00 C ATOM 0 H THR A 429 15.212 27.400 5.138 1.00 0.00 H new ATOM 0 HA THR A 429 17.840 28.400 5.235 1.00 0.00 H new ATOM 0 HB THR A 429 18.408 26.360 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 429 16.273 26.526 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 429 17.530 24.711 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 429 18.074 26.198 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 429 16.337 25.905 6.136 1.00 0.00 H new ATOM 1145 N THR A 430 18.345 29.484 3.052 1.00 0.00 N ATOM 1146 CA THR A 430 18.636 30.216 1.820 1.00 0.00 C ATOM 1147 C THR A 430 17.674 31.389 1.618 1.00 0.00 C ATOM 1148 O THR A 430 18.094 32.481 1.235 1.00 0.00 O ATOM 1149 CB THR A 430 18.584 29.297 0.580 1.00 0.00 C ATOM 1150 OG1 THR A 430 19.521 28.223 0.727 1.00 0.00 O ATOM 1151 CG2 THR A 430 18.899 30.075 -0.689 1.00 0.00 C ATOM 0 H THR A 430 19.015 29.652 3.803 1.00 0.00 H new ATOM 0 HA THR A 430 19.649 30.603 1.929 1.00 0.00 H new ATOM 0 HB THR A 430 17.574 28.894 0.499 1.00 0.00 H new ATOM 0 HG1 THR A 430 19.481 27.644 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 430 18.856 29.404 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 430 18.169 30.875 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 430 19.898 30.504 -0.614 1.00 0.00 H new ATOM 1159 N GLY A 431 16.386 31.166 1.877 1.00 0.00 N ATOM 1160 CA GLY A 431 15.406 32.223 1.713 1.00 0.00 C ATOM 1161 C GLY A 431 13.981 31.707 1.766 1.00 0.00 C ATOM 1162 O GLY A 431 13.662 30.687 1.156 1.00 0.00 O ATOM 0 H GLY A 431 16.007 30.274 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 431 15.548 32.970 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 431 15.572 32.724 0.759 1.00 0.00 H new ATOM 1166 N SER A 432 13.124 32.413 2.497 1.00 0.00 N ATOM 1167 CA SER A 432 11.726 32.020 2.626 1.00 0.00 C ATOM 1168 C SER A 432 11.004 32.128 1.287 1.00 0.00 C ATOM 1169 O SER A 432 11.092 33.149 0.604 1.00 0.00 O ATOM 1170 CB SER A 432 11.026 32.891 3.669 1.00 0.00 C ATOM 1171 OG SER A 432 9.663 32.528 3.805 1.00 0.00 O ATOM 0 H SER A 432 13.373 33.260 3.009 1.00 0.00 H new ATOM 0 HA SER A 432 11.695 30.980 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 432 11.530 32.789 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 432 11.099 33.939 3.380 1.00 0.00 H new ATOM 0 HG SER A 432 9.238 33.099 4.479 1.00 0.00 H new ATOM 1177 N SER A 433 10.290 31.070 0.917 1.00 0.00 N ATOM 1178 CA SER A 433 9.549 31.044 -0.339 1.00 0.00 C ATOM 1179 C SER A 433 8.404 32.052 -0.317 1.00 0.00 C ATOM 1180 O SER A 433 8.234 32.775 -1.321 1.00 0.00 O ATOM 1181 CB SER A 433 9.006 29.640 -0.607 1.00 0.00 C ATOM 1182 OG SER A 433 10.058 28.695 -0.693 1.00 0.00 O ATOM 1183 OXT SER A 433 7.685 32.107 0.703 1.00 0.00 O ATOM 0 H SER A 433 10.209 30.217 1.471 1.00 0.00 H new ATOM 0 HA SER A 433 10.234 31.319 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 433 8.320 29.354 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 433 8.435 29.639 -1.535 1.00 0.00 H new ATOM 0 HG SER A 433 9.685 27.805 -0.863 1.00 0.00 H new TER 1189 SER A 433