USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=29 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 426 ASN : amide:sc= -0.654 K(o=-0.039,f=-1.6) USER MOD Set 1.2: A 427 THR OG1 : rot 15:sc= 0.615 USER MOD Set 2.1: A 396 HIS : no HE2:sc= 0.0802 K(o=0.7,f=-5!) USER MOD Set 2.2: A 405 THR OG1 : rot -151:sc= 0.623 USER MOD Set 3.1: A 377 THR OG1 : rot 2:sc= 0.765 USER MOD Set 3.2: A 380 SER OG : rot -23:sc= 1.34 USER MOD Single : A 355 SER OG : rot -57:sc= 0.741 USER MOD Single : A 356 HIS : no HD1:sc= 0.205 K(o=0.21,f=-3!) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 7:sc= 0.594 USER MOD Single : A 363 GLN : amide:sc= -0.0349 K(o=-0.035,f=-2.5!) USER MOD Single : A 364 LYS NZ :NH3+ -124:sc= 0.0149 (180deg=-1.21) USER MOD Single : A 365 HIS : no HD1:sc= 0.74 K(o=0.74,f=-3.4!) USER MOD Single : A 366 LYS NZ :NH3+ 153:sc= -2.94! (180deg=-5.07!) USER MOD Single : A 370 SER OG : rot -25:sc= 0.427 USER MOD Single : A 371 GLN :FLIP amide:sc= -2! C(o=-2.6!,f=-2!) USER MOD Single : A 372 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.099) USER MOD Single : A 373 GLN :FLIP amide:sc= -2.12! C(o=-3.6!,f=-2.1!) USER MOD Single : A 382 ASN :FLIP amide:sc= -1.09 F(o=-3.8!,f=-1.1) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -116:sc= -0.672 (180deg=-3.82!) USER MOD Single : A 386 GLN :FLIP amide:sc= 0 F(o=-0.97!,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) 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+ -171:sc= -0.0786 (180deg=-0.106) USER MOD Single : A 397 ASN : amide:sc= -0.0424 K(o=-0.042,f=-4!) USER MOD Single : A 401 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.6) USER MOD Single : A 402 LYS NZ :NH3+ -176:sc= -1.73 (180deg=-1.84) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 170:sc= -0.0257 (180deg=-0.171) USER MOD Single : A 412 LYS NZ :NH3+ -174:sc= -0.218 (180deg=-0.309) USER MOD Single : A 413 LYS NZ :NH3+ 128:sc= 0.0321 (180deg=-0.311) USER MOD Single : A 418 THR OG1 : rot -46:sc= 1.09 USER MOD Single : A 420 LYS NZ :NH3+ -168:sc= -0.396 (180deg=-0.577) USER MOD Single : A 423 LYS NZ :NH3+ 160:sc= -0.111 (180deg=-0.526) USER MOD Single : A 424 THR OG1 : rot 33:sc= 0.253 USER MOD Single : A 428 ASN : amide:sc= -0.646 K(o=-0.65,f=-2.9) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot -60:sc= 0.209 USER MOD Single : A 433 SER OG : rot 27:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 6.361 -17.790 3.339 1.00 0.00 N ATOM 2 CA GLY A 354 7.364 -16.813 2.833 1.00 0.00 C ATOM 3 C GLY A 354 6.818 -15.951 1.713 1.00 0.00 C ATOM 4 O GLY A 354 6.119 -16.444 0.827 1.00 0.00 O ATOM 0 HA2 GLY A 354 7.690 -16.174 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 354 8.244 -17.350 2.478 1.00 0.00 H new ATOM 10 N SER A 355 7.137 -14.660 1.752 1.00 0.00 N ATOM 11 CA SER A 355 6.673 -13.725 0.731 1.00 0.00 C ATOM 12 C SER A 355 7.357 -12.369 0.886 1.00 0.00 C ATOM 13 O SER A 355 6.715 -11.322 0.796 1.00 0.00 O ATOM 14 CB SER A 355 5.153 -13.559 0.817 1.00 0.00 C ATOM 15 OG SER A 355 4.674 -12.703 -0.205 1.00 0.00 O ATOM 0 H SER A 355 7.714 -14.238 2.479 1.00 0.00 H new ATOM 0 HA SER A 355 6.932 -14.131 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 355 4.673 -14.534 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 355 4.883 -13.153 1.792 1.00 0.00 H new ATOM 0 HG SER A 355 5.122 -11.834 -0.140 1.00 0.00 H new ATOM 21 N HIS A 356 8.666 -12.399 1.118 1.00 0.00 N ATOM 22 CA HIS A 356 9.444 -11.176 1.285 1.00 0.00 C ATOM 23 C HIS A 356 9.414 -10.329 0.015 1.00 0.00 C ATOM 24 O HIS A 356 9.554 -10.848 -1.093 1.00 0.00 O ATOM 25 CB HIS A 356 10.890 -11.513 1.654 1.00 0.00 C ATOM 26 CG HIS A 356 11.589 -12.359 0.636 1.00 0.00 C ATOM 27 ND1 HIS A 356 11.145 -13.610 0.262 1.00 0.00 N ATOM 28 CD2 HIS A 356 12.708 -12.127 -0.091 1.00 0.00 C ATOM 29 CE1 HIS A 356 11.960 -14.110 -0.650 1.00 0.00 C ATOM 30 NE2 HIS A 356 12.915 -13.229 -0.882 1.00 0.00 N ATOM 0 H HIS A 356 9.211 -13.258 1.195 1.00 0.00 H new ATOM 0 HA HIS A 356 8.994 -10.599 2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 356 11.447 -10.586 1.787 1.00 0.00 H new ATOM 0 HB3 HIS A 356 10.900 -12.031 2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 356 13.323 -11.240 -0.055 1.00 0.00 H new ATOM 0 HE1 HIS A 356 11.861 -15.075 -1.125 1.00 0.00 H new ATOM 0 HE2 HIS A 356 13.683 -13.348 -1.543 1.00 0.00 H new ATOM 39 N MET A 357 9.228 -9.024 0.185 1.00 0.00 N ATOM 40 CA MET A 357 9.177 -8.100 -0.944 1.00 0.00 C ATOM 41 C MET A 357 10.528 -8.025 -1.652 1.00 0.00 C ATOM 42 O MET A 357 11.578 -8.003 -1.010 1.00 0.00 O ATOM 43 CB MET A 357 8.758 -6.708 -0.469 1.00 0.00 C ATOM 44 CG MET A 357 7.385 -6.677 0.181 1.00 0.00 C ATOM 45 SD MET A 357 6.921 -5.031 0.748 1.00 0.00 S ATOM 46 CE MET A 357 5.301 -5.357 1.439 1.00 0.00 C ATOM 0 H MET A 357 9.110 -8.581 1.096 1.00 0.00 H new ATOM 0 HA MET A 357 8.439 -8.473 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 357 9.496 -6.338 0.242 1.00 0.00 H new ATOM 0 HB3 MET A 357 8.764 -6.026 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 357 6.642 -7.034 -0.532 1.00 0.00 H new ATOM 0 HG3 MET A 357 7.372 -7.365 1.026 1.00 0.00 H new ATOM 0 HE1 MET A 357 4.880 -4.432 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 357 4.646 -5.751 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 357 5.389 -6.087 2.244 1.00 0.00 H new ATOM 56 N LEU A 358 10.489 -7.987 -2.982 1.00 0.00 N ATOM 57 CA LEU A 358 11.707 -7.915 -3.783 1.00 0.00 C ATOM 58 C LEU A 358 12.492 -6.645 -3.474 1.00 0.00 C ATOM 59 O LEU A 358 13.721 -6.662 -3.410 1.00 0.00 O ATOM 60 CB LEU A 358 11.376 -7.971 -5.280 1.00 0.00 C ATOM 61 CG LEU A 358 10.843 -9.315 -5.792 1.00 0.00 C ATOM 62 CD1 LEU A 358 9.475 -9.623 -5.200 1.00 0.00 C ATOM 63 CD2 LEU A 358 10.777 -9.315 -7.312 1.00 0.00 C ATOM 0 H LEU A 358 9.627 -8.005 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 358 12.324 -8.776 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 358 10.637 -7.200 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 358 12.275 -7.719 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 358 11.532 -10.096 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 358 9.121 -10.581 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 358 9.551 -9.669 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 358 8.772 -8.839 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 358 10.397 -10.276 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 358 10.112 -8.519 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 358 11.775 -9.151 -7.719 1.00 0.00 H new ATOM 75 N GLU A 359 11.769 -5.551 -3.286 1.00 0.00 N ATOM 76 CA GLU A 359 12.385 -4.262 -2.984 1.00 0.00 C ATOM 77 C GLU A 359 13.151 -4.316 -1.664 1.00 0.00 C ATOM 78 O GLU A 359 12.611 -4.733 -0.640 1.00 0.00 O ATOM 79 CB GLU A 359 11.317 -3.168 -2.925 1.00 0.00 C ATOM 80 CG GLU A 359 11.872 -1.784 -2.630 1.00 0.00 C ATOM 81 CD GLU A 359 10.792 -0.722 -2.579 1.00 0.00 C ATOM 82 OE1 GLU A 359 9.871 -0.852 -1.744 1.00 0.00 O ATOM 83 OE2 GLU A 359 10.867 0.241 -3.370 1.00 0.00 O ATOM 0 H GLU A 359 10.751 -5.528 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 359 13.092 -4.030 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 359 10.785 -3.141 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 359 10.587 -3.427 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 359 12.402 -1.804 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 359 12.602 -1.519 -3.395 1.00 0.00 H new ATOM 90 N VAL A 360 14.411 -3.889 -1.698 1.00 0.00 N ATOM 91 CA VAL A 360 15.250 -3.884 -0.506 1.00 0.00 C ATOM 92 C VAL A 360 14.973 -2.650 0.353 1.00 0.00 C ATOM 93 O VAL A 360 14.799 -1.548 -0.167 1.00 0.00 O ATOM 94 CB VAL A 360 16.746 -3.934 -0.874 1.00 0.00 C ATOM 95 CG1 VAL A 360 17.156 -2.690 -1.646 1.00 0.00 C ATOM 96 CG2 VAL A 360 17.596 -4.108 0.374 1.00 0.00 C ATOM 0 H VAL A 360 14.872 -3.542 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 360 15.002 -4.778 0.067 1.00 0.00 H new ATOM 0 HB VAL A 360 16.912 -4.796 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 360 18.216 -2.749 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 360 16.572 -2.622 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 360 16.975 -1.806 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 360 18.649 -4.141 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 360 17.426 -3.270 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 360 17.323 -5.038 0.873 1.00 0.00 H new ATOM 106 N LEU A 361 14.917 -2.845 1.669 1.00 0.00 N ATOM 107 CA LEU A 361 14.642 -1.748 2.593 1.00 0.00 C ATOM 108 C LEU A 361 15.917 -1.219 3.249 1.00 0.00 C ATOM 109 O LEU A 361 16.775 -1.990 3.675 1.00 0.00 O ATOM 110 CB LEU A 361 13.654 -2.193 3.681 1.00 0.00 C ATOM 111 CG LEU A 361 12.271 -2.641 3.185 1.00 0.00 C ATOM 112 CD1 LEU A 361 11.635 -1.566 2.317 1.00 0.00 C ATOM 113 CD2 LEU A 361 12.365 -3.958 2.429 1.00 0.00 C ATOM 0 H LEU A 361 15.058 -3.750 2.118 1.00 0.00 H new ATOM 0 HA LEU A 361 14.202 -0.941 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 361 14.103 -3.015 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 361 13.519 -1.369 4.381 1.00 0.00 H new ATOM 0 HG LEU A 361 11.635 -2.796 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.656 -1.905 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 361 11.521 -0.650 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 361 12.272 -1.371 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.373 -4.254 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 361 13.023 -3.837 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 361 12.767 -4.728 3.088 1.00 0.00 H new ATOM 125 N THR A 362 16.010 0.108 3.339 1.00 0.00 N ATOM 126 CA THR A 362 17.152 0.780 3.959 1.00 0.00 C ATOM 127 C THR A 362 18.490 0.267 3.431 1.00 0.00 C ATOM 128 O THR A 362 19.441 0.104 4.196 1.00 0.00 O ATOM 129 CB THR A 362 17.129 0.621 5.494 1.00 0.00 C ATOM 130 OG1 THR A 362 17.281 -0.758 5.851 1.00 0.00 O ATOM 131 CG2 THR A 362 15.828 1.155 6.074 1.00 0.00 C ATOM 0 H THR A 362 15.297 0.746 2.985 1.00 0.00 H new ATOM 0 HA THR A 362 17.057 1.833 3.695 1.00 0.00 H new ATOM 0 HB THR A 362 17.959 1.196 5.905 1.00 0.00 H new ATOM 0 HG1 THR A 362 17.469 -1.285 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 362 15.835 1.032 7.157 1.00 0.00 H new ATOM 0 HG22 THR A 362 15.728 2.212 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 362 14.988 0.604 5.652 1.00 0.00 H new ATOM 139 N GLN A 363 18.566 0.027 2.124 1.00 0.00 N ATOM 140 CA GLN A 363 19.799 -0.459 1.504 1.00 0.00 C ATOM 141 C GLN A 363 19.862 -0.078 0.027 1.00 0.00 C ATOM 142 O GLN A 363 20.022 -0.938 -0.839 1.00 0.00 O ATOM 143 CB GLN A 363 19.921 -1.980 1.649 1.00 0.00 C ATOM 144 CG GLN A 363 20.051 -2.459 3.087 1.00 0.00 C ATOM 145 CD GLN A 363 20.240 -3.958 3.193 1.00 0.00 C ATOM 146 OE1 GLN A 363 19.394 -4.736 2.752 1.00 0.00 O ATOM 147 NE2 GLN A 363 21.355 -4.373 3.783 1.00 0.00 N ATOM 0 H GLN A 363 17.791 0.160 1.474 1.00 0.00 H new ATOM 0 HA GLN A 363 20.632 0.015 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 363 19.046 -2.448 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 363 20.789 -2.319 1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 363 20.897 -1.957 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 363 19.159 -2.170 3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 363 22.030 -3.693 4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 363 21.537 -5.371 3.885 1.00 0.00 H new ATOM 156 N LYS A 364 19.744 1.217 -0.256 1.00 0.00 N ATOM 157 CA LYS A 364 19.796 1.705 -1.627 1.00 0.00 C ATOM 158 C LYS A 364 20.817 2.829 -1.759 1.00 0.00 C ATOM 159 O LYS A 364 21.584 3.095 -0.834 1.00 0.00 O ATOM 160 CB LYS A 364 18.418 2.197 -2.075 1.00 0.00 C ATOM 161 CG LYS A 364 17.358 1.109 -2.096 1.00 0.00 C ATOM 162 CD LYS A 364 16.027 1.643 -2.598 1.00 0.00 C ATOM 163 CE LYS A 364 14.976 0.546 -2.660 1.00 0.00 C ATOM 164 NZ LYS A 364 13.686 1.045 -3.210 1.00 0.00 N ATOM 0 H LYS A 364 19.612 1.945 0.447 1.00 0.00 H new ATOM 0 HA LYS A 364 20.100 0.878 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 364 18.093 2.996 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 364 18.503 2.629 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 364 17.688 0.290 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 364 17.233 0.701 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 364 15.683 2.442 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 364 16.159 2.079 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 364 15.342 -0.273 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 364 14.813 0.142 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 12.922 0.854 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 13.753 2.069 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 13.480 0.561 -4.107 1.00 0.00 H new ATOM 178 N HIS A 365 20.820 3.485 -2.913 1.00 0.00 N ATOM 179 CA HIS A 365 21.747 4.580 -3.165 1.00 0.00 C ATOM 180 C HIS A 365 21.247 5.884 -2.546 1.00 0.00 C ATOM 181 O HIS A 365 21.348 6.949 -3.157 1.00 0.00 O ATOM 182 CB HIS A 365 21.965 4.759 -4.670 1.00 0.00 C ATOM 183 CG HIS A 365 20.704 5.007 -5.437 1.00 0.00 C ATOM 184 ND1 HIS A 365 19.655 4.113 -5.474 1.00 0.00 N ATOM 185 CD2 HIS A 365 20.326 6.057 -6.208 1.00 0.00 C ATOM 186 CE1 HIS A 365 18.690 4.598 -6.234 1.00 0.00 C ATOM 187 NE2 HIS A 365 19.072 5.777 -6.690 1.00 0.00 N ATOM 0 H HIS A 365 20.191 3.277 -3.689 1.00 0.00 H new ATOM 0 HA HIS A 365 22.698 4.327 -2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 365 22.648 5.593 -4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 365 22.451 3.867 -5.066 1.00 0.00 H new ATOM 0 HD2 HIS A 365 20.904 6.947 -6.406 1.00 0.00 H new ATOM 0 HE1 HIS A 365 17.749 4.113 -6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 365 18.524 6.382 -7.302 1.00 0.00 H new ATOM 196 N LYS A 366 20.705 5.799 -1.332 1.00 0.00 N ATOM 197 CA LYS A 366 20.193 6.976 -0.646 1.00 0.00 C ATOM 198 C LYS A 366 20.299 6.819 0.870 1.00 0.00 C ATOM 199 O LYS A 366 19.831 5.831 1.435 1.00 0.00 O ATOM 200 CB LYS A 366 18.740 7.214 -1.046 1.00 0.00 C ATOM 201 CG LYS A 366 18.072 8.345 -0.287 1.00 0.00 C ATOM 202 CD LYS A 366 16.605 8.466 -0.658 1.00 0.00 C ATOM 203 CE LYS A 366 16.413 9.106 -2.026 1.00 0.00 C ATOM 204 NZ LYS A 366 16.989 8.279 -3.124 1.00 0.00 N ATOM 0 H LYS A 366 20.611 4.929 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 366 20.797 7.835 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 366 18.698 7.431 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 366 18.174 6.297 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 366 18.165 8.172 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 366 18.583 9.283 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 366 16.147 7.477 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 366 16.088 9.060 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 366 15.349 9.257 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 366 16.880 10.091 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 16.476 8.471 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 17.994 8.517 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 16.899 7.271 -2.883 1.00 0.00 H new ATOM 218 N PRO A 367 20.918 7.803 1.554 1.00 0.00 N ATOM 219 CA PRO A 367 21.083 7.777 3.004 1.00 0.00 C ATOM 220 C PRO A 367 19.846 8.280 3.743 1.00 0.00 C ATOM 221 O PRO A 367 19.940 9.164 4.596 1.00 0.00 O ATOM 222 CB PRO A 367 22.262 8.717 3.229 1.00 0.00 C ATOM 223 CG PRO A 367 22.187 9.706 2.120 1.00 0.00 C ATOM 224 CD PRO A 367 21.504 9.022 0.961 1.00 0.00 C ATOM 0 HA PRO A 367 21.240 6.767 3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 367 22.195 9.208 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 367 23.207 8.175 3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 367 21.629 10.590 2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 367 23.184 10.042 1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 367 20.737 9.658 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 367 22.212 8.779 0.169 1.00 0.00 H new ATOM 232 N ALA A 368 18.688 7.717 3.412 1.00 0.00 N ATOM 233 CA ALA A 368 17.437 8.119 4.049 1.00 0.00 C ATOM 234 C ALA A 368 16.324 7.112 3.773 1.00 0.00 C ATOM 235 O ALA A 368 15.213 7.488 3.398 1.00 0.00 O ATOM 236 CB ALA A 368 17.026 9.506 3.576 1.00 0.00 C ATOM 0 H ALA A 368 18.589 6.984 2.710 1.00 0.00 H new ATOM 0 HA ALA A 368 17.603 8.147 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 368 16.092 9.793 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 368 17.804 10.224 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 368 16.887 9.495 2.495 1.00 0.00 H new ATOM 242 N GLU A 369 16.632 5.831 3.966 1.00 0.00 N ATOM 243 CA GLU A 369 15.663 4.766 3.746 1.00 0.00 C ATOM 244 C GLU A 369 15.111 4.824 2.318 1.00 0.00 C ATOM 245 O GLU A 369 15.874 4.790 1.352 1.00 0.00 O ATOM 246 CB GLU A 369 14.526 4.848 4.775 1.00 0.00 C ATOM 247 CG GLU A 369 14.990 4.768 6.224 1.00 0.00 C ATOM 248 CD GLU A 369 15.823 5.963 6.648 1.00 0.00 C ATOM 249 OE1 GLU A 369 15.303 7.097 6.595 1.00 0.00 O ATOM 250 OE2 GLU A 369 16.995 5.765 7.035 1.00 0.00 O ATOM 0 H GLU A 369 17.549 5.508 4.275 1.00 0.00 H new ATOM 0 HA GLU A 369 16.169 3.809 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 369 13.985 5.783 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 369 13.820 4.039 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 369 14.119 4.690 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 369 15.574 3.858 6.363 1.00 0.00 H new ATOM 257 N SER A 370 13.788 4.913 2.186 1.00 0.00 N ATOM 258 CA SER A 370 13.148 4.976 0.876 1.00 0.00 C ATOM 259 C SER A 370 11.756 5.607 0.997 1.00 0.00 C ATOM 260 O SER A 370 11.578 6.569 1.746 1.00 0.00 O ATOM 261 CB SER A 370 13.066 3.569 0.268 1.00 0.00 C ATOM 262 OG SER A 370 14.333 2.934 0.280 1.00 0.00 O ATOM 0 H SER A 370 13.139 4.943 2.972 1.00 0.00 H new ATOM 0 HA SER A 370 13.745 5.602 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 370 12.349 2.968 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 370 12.697 3.633 -0.756 1.00 0.00 H new ATOM 0 HG SER A 370 15.039 3.613 0.288 1.00 0.00 H new ATOM 268 N GLN A 371 10.770 5.076 0.271 1.00 0.00 N ATOM 269 CA GLN A 371 9.413 5.612 0.323 1.00 0.00 C ATOM 270 C GLN A 371 8.434 4.690 -0.398 1.00 0.00 C ATOM 271 O GLN A 371 8.617 4.370 -1.572 1.00 0.00 O ATOM 272 CB GLN A 371 9.373 7.004 -0.315 1.00 0.00 C ATOM 273 CG GLN A 371 7.996 7.651 -0.296 1.00 0.00 C ATOM 274 CD GLN A 371 7.524 8.026 1.099 1.00 0.00 C ATOM 275 OE1 GLN A 371 8.383 7.844 2.098 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 6.397 8.489 1.277 1.00 0.00 N flip ATOM 0 H GLN A 371 10.887 4.280 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 371 9.117 5.683 1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 371 10.076 7.653 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 371 9.715 6.930 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.015 8.546 -0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 371 7.275 6.967 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 371 5.766 8.614 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 371 6.094 8.748 2.216 1.00 0.00 H new ATOM 285 N GLN A 372 7.388 4.273 0.311 1.00 0.00 N ATOM 286 CA GLN A 372 6.377 3.396 -0.268 1.00 0.00 C ATOM 287 C GLN A 372 5.444 4.184 -1.181 1.00 0.00 C ATOM 288 O GLN A 372 4.850 5.180 -0.766 1.00 0.00 O ATOM 289 CB GLN A 372 5.572 2.704 0.834 1.00 0.00 C ATOM 290 CG GLN A 372 6.419 1.852 1.764 1.00 0.00 C ATOM 291 CD GLN A 372 7.161 0.750 1.033 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.548 -0.122 0.414 1.00 0.00 O ATOM 293 NE2 GLN A 372 8.486 0.783 1.098 1.00 0.00 N ATOM 0 H GLN A 372 7.220 4.528 1.284 1.00 0.00 H new ATOM 0 HA GLN A 372 6.885 2.635 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.052 3.460 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.809 2.076 0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.138 2.489 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.780 1.409 2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 372 8.953 1.523 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 372 9.038 0.068 0.624 1.00 0.00 H new ATOM 302 N GLN A 373 5.322 3.736 -2.426 1.00 0.00 N ATOM 303 CA GLN A 373 4.466 4.403 -3.397 1.00 0.00 C ATOM 304 C GLN A 373 2.994 4.108 -3.113 1.00 0.00 C ATOM 305 O GLN A 373 2.588 2.948 -3.039 1.00 0.00 O ATOM 306 CB GLN A 373 4.834 3.955 -4.816 1.00 0.00 C ATOM 307 CG GLN A 373 4.233 4.816 -5.919 1.00 0.00 C ATOM 308 CD GLN A 373 2.721 4.721 -5.991 1.00 0.00 C ATOM 309 OE1 GLN A 373 2.048 5.853 -5.823 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 2.164 3.642 -6.196 1.00 0.00 N flip ATOM 0 H GLN A 373 5.806 2.913 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 373 4.621 5.479 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 373 5.919 3.961 -4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 373 4.507 2.925 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 373 4.518 5.855 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 373 4.656 4.515 -6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 373 2.720 2.796 -6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 373 1.146 3.594 -6.242 1.00 0.00 H new ATOM 319 N ALA A 374 2.198 5.164 -2.964 1.00 0.00 N ATOM 320 CA ALA A 374 0.771 5.015 -2.701 1.00 0.00 C ATOM 321 C ALA A 374 -0.049 5.789 -3.726 1.00 0.00 C ATOM 322 O ALA A 374 0.018 7.017 -3.788 1.00 0.00 O ATOM 323 CB ALA A 374 0.440 5.487 -1.292 1.00 0.00 C ATOM 0 H ALA A 374 2.518 6.131 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 374 0.515 3.959 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.628 5.370 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.998 4.893 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.713 6.537 -1.187 1.00 0.00 H new ATOM 329 N ALA A 375 -0.822 5.066 -4.531 1.00 0.00 N ATOM 330 CA ALA A 375 -1.651 5.693 -5.553 1.00 0.00 C ATOM 331 C ALA A 375 -3.068 5.906 -5.058 1.00 0.00 C ATOM 332 O ALA A 375 -4.038 5.471 -5.680 1.00 0.00 O ATOM 333 CB ALA A 375 -1.639 4.872 -6.832 1.00 0.00 C ATOM 0 H ALA A 375 -0.891 4.049 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 375 -1.228 6.673 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.264 5.357 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -0.618 4.795 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -2.027 3.874 -6.627 1.00 0.00 H new ATOM 339 N GLU A 376 -3.167 6.588 -3.935 1.00 0.00 N ATOM 340 CA GLU A 376 -4.451 6.892 -3.323 1.00 0.00 C ATOM 341 C GLU A 376 -5.358 7.651 -4.282 1.00 0.00 C ATOM 342 O GLU A 376 -5.176 8.847 -4.510 1.00 0.00 O ATOM 343 CB GLU A 376 -4.232 7.720 -2.059 1.00 0.00 C ATOM 344 CG GLU A 376 -3.160 8.786 -2.226 1.00 0.00 C ATOM 345 CD GLU A 376 -3.224 9.858 -1.155 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.257 10.553 -1.071 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.239 10.002 -0.400 1.00 0.00 O ATOM 0 H GLU A 376 -2.364 6.948 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 376 -4.938 5.950 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.170 8.197 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.953 7.057 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.178 8.314 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.267 9.251 -3.206 1.00 0.00 H new ATOM 354 N THR A 377 -6.347 6.945 -4.819 1.00 0.00 N ATOM 355 CA THR A 377 -7.312 7.531 -5.743 1.00 0.00 C ATOM 356 C THR A 377 -8.580 6.696 -5.791 1.00 0.00 C ATOM 357 O THR A 377 -8.529 5.466 -5.738 1.00 0.00 O ATOM 358 CB THR A 377 -6.763 7.654 -7.179 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.241 6.393 -7.614 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.683 8.721 -7.279 1.00 0.00 C ATOM 0 H THR A 377 -6.502 5.955 -4.628 1.00 0.00 H new ATOM 0 HA THR A 377 -7.522 8.532 -5.365 1.00 0.00 H new ATOM 0 HB THR A 377 -7.589 7.952 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.370 5.725 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.321 8.778 -8.306 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.097 9.686 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.856 8.465 -6.617 1.00 0.00 H new ATOM 368 N GLU A 378 -9.715 7.370 -5.892 1.00 0.00 N ATOM 369 CA GLU A 378 -11.001 6.692 -5.951 1.00 0.00 C ATOM 370 C GLU A 378 -11.034 5.725 -7.123 1.00 0.00 C ATOM 371 O GLU A 378 -11.585 4.630 -7.029 1.00 0.00 O ATOM 372 CB GLU A 378 -12.132 7.712 -6.083 1.00 0.00 C ATOM 373 CG GLU A 378 -13.522 7.096 -6.039 1.00 0.00 C ATOM 374 CD GLU A 378 -14.623 8.133 -6.160 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.654 8.848 -7.183 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.453 8.228 -5.232 1.00 0.00 O ATOM 0 H GLU A 378 -9.772 8.388 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.139 6.130 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.044 8.444 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.014 8.252 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.620 6.371 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.644 6.549 -5.104 1.00 0.00 H new ATOM 383 N GLY A 379 -10.440 6.149 -8.229 1.00 0.00 N ATOM 384 CA GLY A 379 -10.408 5.326 -9.420 1.00 0.00 C ATOM 385 C GLY A 379 -9.621 4.045 -9.245 1.00 0.00 C ATOM 386 O GLY A 379 -10.005 3.005 -9.779 1.00 0.00 O ATOM 0 H GLY A 379 -9.977 7.053 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.429 5.079 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.975 5.901 -10.238 1.00 0.00 H new ATOM 390 N SER A 380 -8.514 4.109 -8.512 1.00 0.00 N ATOM 391 CA SER A 380 -7.687 2.928 -8.300 1.00 0.00 C ATOM 392 C SER A 380 -8.374 1.929 -7.375 1.00 0.00 C ATOM 393 O SER A 380 -8.437 0.739 -7.671 1.00 0.00 O ATOM 394 CB SER A 380 -6.327 3.324 -7.719 1.00 0.00 C ATOM 395 OG SER A 380 -6.472 3.926 -6.444 1.00 0.00 O ATOM 0 H SER A 380 -8.172 4.957 -8.059 1.00 0.00 H new ATOM 0 HA SER A 380 -7.538 2.451 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.692 2.442 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.826 4.016 -8.396 1.00 0.00 H new ATOM 0 HG SER A 380 -7.376 4.295 -6.357 1.00 0.00 H new ATOM 401 N CYS A 381 -8.873 2.422 -6.250 1.00 0.00 N ATOM 402 CA CYS A 381 -9.539 1.575 -5.263 1.00 0.00 C ATOM 403 C CYS A 381 -10.701 0.785 -5.861 1.00 0.00 C ATOM 404 O CYS A 381 -10.836 -0.412 -5.610 1.00 0.00 O ATOM 405 CB CYS A 381 -10.029 2.428 -4.097 1.00 0.00 C ATOM 406 SG CYS A 381 -8.686 3.229 -3.167 1.00 0.00 S ATOM 0 H CYS A 381 -8.830 3.409 -5.995 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.807 0.849 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.704 3.195 -4.477 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.607 1.802 -3.417 1.00 0.00 H new ATOM 411 N ASN A 382 -11.539 1.459 -6.638 1.00 0.00 N ATOM 412 CA ASN A 382 -12.696 0.816 -7.258 1.00 0.00 C ATOM 413 C ASN A 382 -12.289 -0.428 -8.041 1.00 0.00 C ATOM 414 O ASN A 382 -13.094 -1.338 -8.244 1.00 0.00 O ATOM 415 CB ASN A 382 -13.412 1.794 -8.192 1.00 0.00 C ATOM 416 CG ASN A 382 -13.899 3.044 -7.481 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.657 3.126 -6.178 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.487 3.929 -8.100 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.441 2.451 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.372 0.515 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.735 2.081 -8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.262 1.291 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.653 3.827 -9.101 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.809 4.765 -7.612 1.00 0.00 H new ATOM 425 N LYS A 383 -11.043 -0.451 -8.496 1.00 0.00 N ATOM 426 CA LYS A 383 -10.531 -1.567 -9.277 1.00 0.00 C ATOM 427 C LYS A 383 -9.933 -2.648 -8.382 1.00 0.00 C ATOM 428 O LYS A 383 -10.002 -3.837 -8.694 1.00 0.00 O ATOM 429 CB LYS A 383 -9.472 -1.061 -10.256 1.00 0.00 C ATOM 430 CG LYS A 383 -9.846 0.250 -10.932 1.00 0.00 C ATOM 431 CD LYS A 383 -11.155 0.140 -11.697 1.00 0.00 C ATOM 432 CE LYS A 383 -11.490 1.438 -12.414 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.773 1.345 -13.163 1.00 0.00 N ATOM 0 H LYS A 383 -10.366 0.295 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.363 -2.009 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.530 -0.930 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.304 -1.819 -11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.930 1.035 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.050 0.546 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.087 -0.671 -12.422 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.960 -0.115 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.552 2.248 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.685 1.690 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.964 2.251 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.706 0.589 -13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.546 1.130 -12.502 1.00 0.00 H new ATOM 447 N LYS A 384 -9.324 -2.222 -7.282 1.00 0.00 N ATOM 448 CA LYS A 384 -8.684 -3.134 -6.347 1.00 0.00 C ATOM 449 C LYS A 384 -9.687 -4.022 -5.616 1.00 0.00 C ATOM 450 O LYS A 384 -10.677 -3.541 -5.065 1.00 0.00 O ATOM 451 CB LYS A 384 -7.861 -2.327 -5.345 1.00 0.00 C ATOM 452 CG LYS A 384 -6.491 -1.886 -5.858 1.00 0.00 C ATOM 453 CD LYS A 384 -6.532 -1.350 -7.284 1.00 0.00 C ATOM 454 CE LYS A 384 -6.242 -2.437 -8.309 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.287 -1.912 -9.702 1.00 0.00 N ATOM 0 H LYS A 384 -9.261 -1.239 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.036 -3.799 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.429 -1.442 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.722 -2.924 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.093 -1.116 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.803 -2.731 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.513 -0.918 -7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.803 -0.547 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.259 -2.867 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.969 -3.242 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.064 -2.370 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.443 -0.884 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.385 -2.115 -10.179 1.00 0.00 H new ATOM 469 N ASP A 385 -9.405 -5.326 -5.602 1.00 0.00 N ATOM 470 CA ASP A 385 -10.260 -6.293 -4.922 1.00 0.00 C ATOM 471 C ASP A 385 -10.117 -6.141 -3.411 1.00 0.00 C ATOM 472 O ASP A 385 -9.382 -5.276 -2.944 1.00 0.00 O ATOM 473 CB ASP A 385 -9.894 -7.718 -5.344 1.00 0.00 C ATOM 474 CG ASP A 385 -10.068 -7.943 -6.834 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.403 -7.240 -7.622 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.869 -8.823 -7.211 1.00 0.00 O ATOM 0 H ASP A 385 -8.588 -5.735 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.296 -6.103 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.860 -7.922 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.516 -8.427 -4.797 1.00 0.00 H new ATOM 481 N GLN A 386 -10.818 -6.981 -2.651 1.00 0.00 N ATOM 482 CA GLN A 386 -10.758 -6.920 -1.191 1.00 0.00 C ATOM 483 C GLN A 386 -9.314 -6.845 -0.703 1.00 0.00 C ATOM 484 O GLN A 386 -8.947 -5.934 0.040 1.00 0.00 O ATOM 485 CB GLN A 386 -11.451 -8.140 -0.579 1.00 0.00 C ATOM 486 CG GLN A 386 -11.432 -8.155 0.943 1.00 0.00 C ATOM 487 CD GLN A 386 -12.135 -9.363 1.540 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.706 -10.211 0.688 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -12.167 -9.532 2.758 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.431 -7.708 -3.019 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.276 -6.016 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.486 -8.169 -0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.968 -9.045 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.398 -8.138 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.906 -7.247 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.717 -8.859 3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.643 -10.345 3.148 1.00 0.00 H new ATOM 498 N ASN A 387 -8.496 -7.801 -1.130 1.00 0.00 N ATOM 499 CA ASN A 387 -7.091 -7.834 -0.741 1.00 0.00 C ATOM 500 C ASN A 387 -6.330 -6.667 -1.359 1.00 0.00 C ATOM 501 O ASN A 387 -5.396 -6.133 -0.760 1.00 0.00 O ATOM 502 CB ASN A 387 -6.450 -9.157 -1.164 1.00 0.00 C ATOM 503 CG ASN A 387 -4.994 -9.247 -0.766 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.651 -9.129 0.410 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.129 -9.466 -1.745 1.00 0.00 N ATOM 0 H ASN A 387 -8.782 -8.563 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.039 -7.746 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.999 -9.984 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.536 -9.270 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.133 -9.543 -1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.459 -9.557 -2.706 1.00 0.00 H new ATOM 512 N GLU A 388 -6.738 -6.276 -2.563 1.00 0.00 N ATOM 513 CA GLU A 388 -6.099 -5.172 -3.270 1.00 0.00 C ATOM 514 C GLU A 388 -6.509 -3.836 -2.670 1.00 0.00 C ATOM 515 O GLU A 388 -5.869 -2.815 -2.921 1.00 0.00 O ATOM 516 CB GLU A 388 -6.449 -5.220 -4.756 1.00 0.00 C ATOM 517 CG GLU A 388 -6.013 -6.504 -5.443 1.00 0.00 C ATOM 518 CD GLU A 388 -6.358 -6.525 -6.921 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.931 -5.530 -7.413 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.054 -7.537 -7.585 1.00 0.00 O ATOM 0 H GLU A 388 -7.510 -6.709 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.019 -5.276 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.527 -5.104 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.982 -4.373 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.937 -6.627 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.488 -7.353 -4.951 1.00 0.00 H new ATOM 527 N CYS A 389 -7.573 -3.847 -1.871 1.00 0.00 N ATOM 528 CA CYS A 389 -8.045 -2.628 -1.235 1.00 0.00 C ATOM 529 C CYS A 389 -6.918 -2.058 -0.383 1.00 0.00 C ATOM 530 O CYS A 389 -6.668 -2.512 0.733 1.00 0.00 O ATOM 531 CB CYS A 389 -9.289 -2.917 -0.389 1.00 0.00 C ATOM 532 SG CYS A 389 -10.328 -1.455 -0.061 1.00 0.00 S ATOM 0 H CYS A 389 -8.118 -4.681 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.328 -1.896 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.892 -3.671 -0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.975 -3.347 0.562 1.00 0.00 H new ATOM 537 N LYS A 390 -6.211 -1.091 -0.953 1.00 0.00 N ATOM 538 CA LYS A 390 -5.063 -0.472 -0.302 1.00 0.00 C ATOM 539 C LYS A 390 -5.466 0.389 0.891 1.00 0.00 C ATOM 540 O LYS A 390 -6.630 0.757 1.044 1.00 0.00 O ATOM 541 CB LYS A 390 -4.295 0.349 -1.330 1.00 0.00 C ATOM 542 CG LYS A 390 -3.816 -0.479 -2.517 1.00 0.00 C ATOM 543 CD LYS A 390 -2.707 -1.441 -2.125 1.00 0.00 C ATOM 544 CE LYS A 390 -2.267 -2.284 -3.311 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.205 -3.260 -2.940 1.00 0.00 N ATOM 0 H LYS A 390 -6.416 -0.714 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.425 -1.263 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.932 1.157 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.435 0.813 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.654 -1.040 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.459 0.186 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.856 -0.881 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.053 -2.091 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.127 -2.820 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.899 -1.631 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.934 -3.814 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.374 -2.749 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.564 -3.900 -2.203 1.00 0.00 H new ATOM 559 N SER A 391 -4.484 0.684 1.744 1.00 0.00 N ATOM 560 CA SER A 391 -4.701 1.477 2.944 1.00 0.00 C ATOM 561 C SER A 391 -5.494 2.755 2.652 1.00 0.00 C ATOM 562 O SER A 391 -6.503 3.015 3.308 1.00 0.00 O ATOM 563 CB SER A 391 -3.357 1.817 3.585 1.00 0.00 C ATOM 564 OG SER A 391 -2.630 0.642 3.899 1.00 0.00 O ATOM 0 H SER A 391 -3.519 0.378 1.618 1.00 0.00 H new ATOM 0 HA SER A 391 -5.296 0.882 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.774 2.439 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.520 2.401 4.491 1.00 0.00 H new ATOM 0 HG SER A 391 -1.773 0.887 4.306 1.00 0.00 H new ATOM 570 N PRO A 392 -5.071 3.573 1.663 1.00 0.00 N ATOM 571 CA PRO A 392 -5.773 4.807 1.312 1.00 0.00 C ATOM 572 C PRO A 392 -7.256 4.566 1.070 1.00 0.00 C ATOM 573 O PRO A 392 -8.095 5.414 1.372 1.00 0.00 O ATOM 574 CB PRO A 392 -5.096 5.245 0.003 1.00 0.00 C ATOM 575 CG PRO A 392 -4.316 4.065 -0.453 1.00 0.00 C ATOM 576 CD PRO A 392 -3.895 3.384 0.801 1.00 0.00 C ATOM 0 HA PRO A 392 -5.717 5.549 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.835 5.539 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.447 6.106 0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.921 3.407 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.454 4.366 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.674 2.329 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.999 3.834 1.229 1.00 0.00 H new ATOM 584 N CYS A 393 -7.561 3.405 0.504 1.00 0.00 N ATOM 585 CA CYS A 393 -8.933 3.032 0.187 1.00 0.00 C ATOM 586 C CYS A 393 -9.803 2.914 1.436 1.00 0.00 C ATOM 587 O CYS A 393 -9.502 3.484 2.485 1.00 0.00 O ATOM 588 CB CYS A 393 -8.938 1.706 -0.573 1.00 0.00 C ATOM 589 SG CYS A 393 -7.908 1.714 -2.073 1.00 0.00 S ATOM 0 H CYS A 393 -6.868 2.699 0.253 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.357 3.823 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.589 0.916 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.963 1.460 -0.849 1.00 0.00 H new ATOM 594 N LYS A 394 -10.888 2.161 1.299 1.00 0.00 N ATOM 595 CA LYS A 394 -11.833 1.938 2.385 1.00 0.00 C ATOM 596 C LYS A 394 -12.732 0.760 2.046 1.00 0.00 C ATOM 597 O LYS A 394 -13.527 0.823 1.109 1.00 0.00 O ATOM 598 CB LYS A 394 -12.678 3.194 2.622 1.00 0.00 C ATOM 599 CG LYS A 394 -13.705 3.042 3.735 1.00 0.00 C ATOM 600 CD LYS A 394 -13.043 2.932 5.099 1.00 0.00 C ATOM 601 CE LYS A 394 -12.349 4.227 5.491 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.727 4.137 6.841 1.00 0.00 N ATOM 0 H LYS A 394 -11.137 1.688 0.431 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.279 1.716 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.016 4.026 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.194 3.454 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.381 3.897 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.311 2.155 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.793 2.679 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.317 2.119 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.583 4.466 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.070 5.044 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.399 5.079 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.429 3.786 7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.919 3.483 6.808 1.00 0.00 H new ATOM 616 N TRP A 395 -12.588 -0.321 2.802 1.00 0.00 N ATOM 617 CA TRP A 395 -13.375 -1.519 2.562 1.00 0.00 C ATOM 618 C TRP A 395 -14.797 -1.363 3.087 1.00 0.00 C ATOM 619 O TRP A 395 -15.013 -1.180 4.285 1.00 0.00 O ATOM 620 CB TRP A 395 -12.702 -2.728 3.212 1.00 0.00 C ATOM 621 CG TRP A 395 -13.323 -4.038 2.832 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.786 -5.000 3.682 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.538 -4.536 1.504 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.280 -6.064 2.967 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.137 -5.804 1.629 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.282 -4.036 0.222 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.487 -6.575 0.524 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.630 -4.804 -0.873 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.226 -6.061 -0.717 1.00 0.00 C ATOM 0 H TRP A 395 -11.936 -0.391 3.583 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.431 -1.676 1.485 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.649 -2.740 2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.743 -2.617 4.296 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.767 -4.934 4.760 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.687 -6.910 3.367 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.821 -3.068 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.948 -7.544 0.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.439 -4.428 -1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.485 -6.636 -1.593 1.00 0.00 H new ATOM 640 N HIS A 396 -15.765 -1.453 2.180 1.00 0.00 N ATOM 641 CA HIS A 396 -17.172 -1.339 2.544 1.00 0.00 C ATOM 642 C HIS A 396 -17.789 -2.711 2.760 1.00 0.00 C ATOM 643 O HIS A 396 -18.168 -3.385 1.798 1.00 0.00 O ATOM 644 CB HIS A 396 -17.949 -0.591 1.456 1.00 0.00 C ATOM 645 CG HIS A 396 -17.664 0.877 1.416 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.881 1.715 2.489 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.182 1.659 0.422 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.548 2.950 2.156 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.121 2.943 0.907 1.00 0.00 N ATOM 0 H HIS A 396 -15.599 -1.605 1.185 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.231 -0.777 3.476 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.708 -1.026 0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.017 -0.741 1.616 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.242 1.427 3.398 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.898 1.334 -0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.614 3.817 2.797 1.00 0.00 H new ATOM 658 N ASN A 397 -17.905 -3.118 4.022 1.00 0.00 N ATOM 659 CA ASN A 397 -18.498 -4.407 4.342 1.00 0.00 C ATOM 660 C ASN A 397 -20.015 -4.319 4.221 1.00 0.00 C ATOM 661 O ASN A 397 -20.716 -4.073 5.203 1.00 0.00 O ATOM 662 CB ASN A 397 -18.093 -4.850 5.752 1.00 0.00 C ATOM 663 CG ASN A 397 -18.452 -3.827 6.813 1.00 0.00 C ATOM 664 OD1 ASN A 397 -17.975 -2.692 6.784 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.294 -4.225 7.760 1.00 0.00 N ATOM 0 H ASN A 397 -17.598 -2.577 4.831 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.130 -5.152 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.581 -5.796 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.018 -5.031 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.569 -3.581 8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.666 -5.175 7.746 1.00 0.00 H new ATOM 672 N ASP A 398 -20.495 -4.523 2.997 1.00 0.00 N ATOM 673 CA ASP A 398 -21.920 -4.471 2.676 1.00 0.00 C ATOM 674 C ASP A 398 -22.088 -4.366 1.161 1.00 0.00 C ATOM 675 O ASP A 398 -21.783 -5.312 0.435 1.00 0.00 O ATOM 676 CB ASP A 398 -22.608 -3.287 3.370 1.00 0.00 C ATOM 677 CG ASP A 398 -24.103 -3.257 3.120 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.785 -4.239 3.480 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.592 -2.252 2.563 1.00 0.00 O ATOM 0 H ASP A 398 -19.902 -4.731 2.193 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.393 -5.384 3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.423 -3.341 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.165 -2.356 3.017 1.00 0.00 H new ATOM 684 N ALA A 399 -22.557 -3.208 0.687 1.00 0.00 N ATOM 685 CA ALA A 399 -22.745 -2.980 -0.741 1.00 0.00 C ATOM 686 C ALA A 399 -23.510 -4.134 -1.384 1.00 0.00 C ATOM 687 O ALA A 399 -24.186 -4.900 -0.696 1.00 0.00 O ATOM 688 CB ALA A 399 -21.387 -2.787 -1.413 1.00 0.00 C ATOM 0 H ALA A 399 -22.813 -2.415 1.276 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.339 -2.076 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.530 -2.617 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.882 -1.927 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.778 -3.679 -1.266 1.00 0.00 H new ATOM 694 N GLU A 400 -23.389 -4.268 -2.700 1.00 0.00 N ATOM 695 CA GLU A 400 -24.057 -5.347 -3.416 1.00 0.00 C ATOM 696 C GLU A 400 -23.358 -6.665 -3.117 1.00 0.00 C ATOM 697 O GLU A 400 -23.995 -7.699 -2.920 1.00 0.00 O ATOM 698 CB GLU A 400 -24.046 -5.078 -4.922 1.00 0.00 C ATOM 699 CG GLU A 400 -24.718 -3.771 -5.314 1.00 0.00 C ATOM 700 CD GLU A 400 -24.671 -3.517 -6.809 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.106 -4.359 -7.538 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.200 -2.475 -7.250 1.00 0.00 O ATOM 0 H GLU A 400 -22.837 -3.646 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.094 -5.403 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.014 -5.065 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.546 -5.901 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.757 -3.788 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.232 -2.946 -4.793 1.00 0.00 H new ATOM 709 N ASN A 401 -22.030 -6.598 -3.075 1.00 0.00 N ATOM 710 CA ASN A 401 -21.184 -7.750 -2.792 1.00 0.00 C ATOM 711 C ASN A 401 -19.839 -7.261 -2.280 1.00 0.00 C ATOM 712 O ASN A 401 -18.786 -7.758 -2.681 1.00 0.00 O ATOM 713 CB ASN A 401 -20.976 -8.589 -4.055 1.00 0.00 C ATOM 714 CG ASN A 401 -22.278 -9.077 -4.650 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.877 -10.039 -4.169 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.737 -8.386 -5.682 1.00 0.00 N ATOM 0 H ASN A 401 -21.509 -5.736 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.669 -8.372 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.442 -7.996 -4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.345 -9.446 -3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -23.624 -8.644 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.203 -7.596 -6.045 1.00 0.00 H new ATOM 723 N LYS A 402 -19.900 -6.254 -1.410 1.00 0.00 N ATOM 724 CA LYS A 402 -18.708 -5.630 -0.834 1.00 0.00 C ATOM 725 C LYS A 402 -18.049 -4.730 -1.873 1.00 0.00 C ATOM 726 O LYS A 402 -17.958 -5.100 -3.044 1.00 0.00 O ATOM 727 CB LYS A 402 -17.712 -6.689 -0.349 1.00 0.00 C ATOM 728 CG LYS A 402 -18.306 -7.696 0.627 1.00 0.00 C ATOM 729 CD LYS A 402 -18.737 -7.037 1.928 1.00 0.00 C ATOM 730 CE LYS A 402 -19.295 -8.059 2.907 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.719 -7.430 4.189 1.00 0.00 N ATOM 0 H LYS A 402 -20.777 -5.847 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 402 -19.011 -5.033 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.317 -7.224 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.869 -6.189 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.164 -8.186 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.571 -8.473 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.886 -6.526 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.492 -6.278 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -20.146 -8.568 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.539 -8.818 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.029 -8.169 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.919 -6.909 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.505 -6.773 4.010 1.00 0.00 H new ATOM 745 N LYS A 403 -17.610 -3.542 -1.462 1.00 0.00 N ATOM 746 CA LYS A 403 -16.992 -2.619 -2.411 1.00 0.00 C ATOM 747 C LYS A 403 -15.865 -1.795 -1.787 1.00 0.00 C ATOM 748 O LYS A 403 -16.020 -1.222 -0.709 1.00 0.00 O ATOM 749 CB LYS A 403 -18.052 -1.681 -2.993 1.00 0.00 C ATOM 750 CG LYS A 403 -18.719 -0.790 -1.959 1.00 0.00 C ATOM 751 CD LYS A 403 -19.777 0.102 -2.590 1.00 0.00 C ATOM 752 CE LYS A 403 -20.457 0.980 -1.552 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.515 1.838 -2.155 1.00 0.00 N ATOM 0 H LYS A 403 -17.668 -3.202 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.550 -3.226 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.589 -1.054 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.816 -2.277 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.176 -1.408 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.966 -0.172 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.317 0.729 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.523 -0.515 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.897 0.352 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.712 1.610 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.954 2.421 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.091 2.456 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.240 1.237 -2.597 1.00 0.00 H new ATOM 767 N CYS A 404 -14.735 -1.721 -2.493 1.00 0.00 N ATOM 768 CA CYS A 404 -13.584 -0.945 -2.037 1.00 0.00 C ATOM 769 C CYS A 404 -13.622 0.450 -2.660 1.00 0.00 C ATOM 770 O CYS A 404 -13.860 0.591 -3.859 1.00 0.00 O ATOM 771 CB CYS A 404 -12.274 -1.647 -2.412 1.00 0.00 C ATOM 772 SG CYS A 404 -10.769 -0.741 -1.917 1.00 0.00 S ATOM 0 H CYS A 404 -14.594 -2.192 -3.387 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.631 -0.859 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.259 -2.634 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.253 -1.800 -3.491 1.00 0.00 H new ATOM 777 N THR A 405 -13.392 1.478 -1.845 1.00 0.00 N ATOM 778 CA THR A 405 -13.410 2.855 -2.335 1.00 0.00 C ATOM 779 C THR A 405 -12.384 3.714 -1.607 1.00 0.00 C ATOM 780 O THR A 405 -12.196 3.585 -0.400 1.00 0.00 O ATOM 781 CB THR A 405 -14.798 3.503 -2.163 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.134 3.577 -0.773 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.866 2.712 -2.906 1.00 0.00 C ATOM 0 H THR A 405 -13.192 1.385 -0.849 1.00 0.00 H new ATOM 0 HA THR A 405 -13.164 2.807 -3.396 1.00 0.00 H new ATOM 0 HB THR A 405 -14.758 4.508 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.108 3.534 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.835 3.191 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.624 2.682 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.904 1.696 -2.514 1.00 0.00 H new ATOM 791 N LEU A 406 -11.725 4.595 -2.354 1.00 0.00 N ATOM 792 CA LEU A 406 -10.720 5.479 -1.787 1.00 0.00 C ATOM 793 C LEU A 406 -11.334 6.365 -0.717 1.00 0.00 C ATOM 794 O LEU A 406 -12.478 6.805 -0.838 1.00 0.00 O ATOM 795 CB LEU A 406 -10.075 6.321 -2.891 1.00 0.00 C ATOM 796 CG LEU A 406 -8.801 7.082 -2.503 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.137 8.390 -1.812 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.904 6.223 -1.622 1.00 0.00 C ATOM 0 H LEU A 406 -11.872 4.713 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.943 4.874 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.841 5.665 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.811 7.043 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.258 7.314 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.216 8.909 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.726 9.015 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.711 8.187 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.007 6.784 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.440 5.950 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.622 5.319 -2.162 1.00 0.00 H new ATOM 810 N ASP A 407 -10.571 6.612 0.336 1.00 0.00 N ATOM 811 CA ASP A 407 -11.042 7.437 1.443 1.00 0.00 C ATOM 812 C ASP A 407 -10.059 8.564 1.737 1.00 0.00 C ATOM 813 O ASP A 407 -8.850 8.347 1.807 1.00 0.00 O ATOM 814 CB ASP A 407 -11.247 6.581 2.695 1.00 0.00 C ATOM 815 CG ASP A 407 -11.820 7.378 3.850 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.909 7.966 3.682 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.182 7.412 4.922 1.00 0.00 O ATOM 0 H ASP A 407 -9.623 6.254 0.450 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.996 7.878 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.916 5.753 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.294 6.146 2.995 1.00 0.00 H new ATOM 822 N LYS A 408 -10.592 9.768 1.906 1.00 0.00 N ATOM 823 CA LYS A 408 -9.772 10.939 2.191 1.00 0.00 C ATOM 824 C LYS A 408 -9.105 10.828 3.559 1.00 0.00 C ATOM 825 O LYS A 408 -7.931 11.162 3.714 1.00 0.00 O ATOM 826 CB LYS A 408 -10.628 12.204 2.129 1.00 0.00 C ATOM 827 CG LYS A 408 -11.197 12.484 0.747 1.00 0.00 C ATOM 828 CD LYS A 408 -12.124 13.690 0.755 1.00 0.00 C ATOM 829 CE LYS A 408 -11.407 14.951 1.215 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.241 15.274 0.347 1.00 0.00 N ATOM 0 H LYS A 408 -11.592 9.959 1.850 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.988 10.995 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.449 12.113 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.026 13.056 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.381 12.657 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.742 11.609 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.527 13.845 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.971 13.493 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.105 15.788 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.070 14.822 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -9.883 16.221 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.489 14.571 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.535 15.255 -0.650 1.00 0.00 H new ATOM 844 N GLU A 409 -9.864 10.362 4.547 1.00 0.00 N ATOM 845 CA GLU A 409 -9.354 10.211 5.902 1.00 0.00 C ATOM 846 C GLU A 409 -8.201 9.212 5.947 1.00 0.00 C ATOM 847 O GLU A 409 -7.173 9.462 6.575 1.00 0.00 O ATOM 848 CB GLU A 409 -10.481 9.757 6.829 1.00 0.00 C ATOM 849 CG GLU A 409 -10.060 9.620 8.280 1.00 0.00 C ATOM 850 CD GLU A 409 -9.691 10.948 8.918 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.807 11.989 8.237 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.290 10.947 10.101 1.00 0.00 O ATOM 0 H GLU A 409 -10.838 10.082 4.431 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.976 11.176 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.302 10.471 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.863 8.798 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.872 9.164 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.208 8.943 8.343 1.00 0.00 H new ATOM 859 N GLU A 410 -8.375 8.079 5.278 1.00 0.00 N ATOM 860 CA GLU A 410 -7.345 7.047 5.247 1.00 0.00 C ATOM 861 C GLU A 410 -6.124 7.517 4.463 1.00 0.00 C ATOM 862 O GLU A 410 -4.988 7.295 4.876 1.00 0.00 O ATOM 863 CB GLU A 410 -7.893 5.757 4.635 1.00 0.00 C ATOM 864 CG GLU A 410 -9.030 5.133 5.431 1.00 0.00 C ATOM 865 CD GLU A 410 -8.610 4.699 6.825 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.215 5.571 7.626 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.679 3.486 7.112 1.00 0.00 O ATOM 0 H GLU A 410 -9.218 7.851 4.750 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.041 6.849 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.242 5.966 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.082 5.034 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.847 5.850 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.415 4.270 4.888 1.00 0.00 H new ATOM 874 N ALA A 411 -6.368 8.158 3.324 1.00 0.00 N ATOM 875 CA ALA A 411 -5.290 8.649 2.472 1.00 0.00 C ATOM 876 C ALA A 411 -4.403 9.658 3.196 1.00 0.00 C ATOM 877 O ALA A 411 -3.177 9.563 3.139 1.00 0.00 O ATOM 878 CB ALA A 411 -5.863 9.263 1.204 1.00 0.00 C ATOM 0 H ALA A 411 -7.305 8.350 2.969 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.664 7.796 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.050 9.626 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.433 8.510 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.518 10.094 1.466 1.00 0.00 H new ATOM 884 N LYS A 412 -5.017 10.627 3.869 1.00 0.00 N ATOM 885 CA LYS A 412 -4.258 11.643 4.590 1.00 0.00 C ATOM 886 C LYS A 412 -3.404 11.006 5.683 1.00 0.00 C ATOM 887 O LYS A 412 -2.254 11.396 5.890 1.00 0.00 O ATOM 888 CB LYS A 412 -5.193 12.698 5.189 1.00 0.00 C ATOM 889 CG LYS A 412 -6.220 12.131 6.156 1.00 0.00 C ATOM 890 CD LYS A 412 -7.141 13.214 6.701 1.00 0.00 C ATOM 891 CE LYS A 412 -6.385 14.227 7.546 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.716 13.587 8.714 1.00 0.00 N ATOM 0 H LYS A 412 -6.030 10.730 3.930 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.595 12.136 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.595 13.447 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.714 13.210 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.814 11.369 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.708 11.639 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.631 13.725 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.927 12.755 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.639 14.729 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.075 14.994 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.298 14.322 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.415 13.045 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.968 12.948 8.378 1.00 0.00 H new ATOM 906 N LYS A 413 -3.970 10.020 6.376 1.00 0.00 N ATOM 907 CA LYS A 413 -3.254 9.327 7.443 1.00 0.00 C ATOM 908 C LYS A 413 -2.051 8.566 6.896 1.00 0.00 C ATOM 909 O LYS A 413 -0.938 8.698 7.403 1.00 0.00 O ATOM 910 CB LYS A 413 -4.186 8.357 8.168 1.00 0.00 C ATOM 911 CG LYS A 413 -5.332 9.035 8.898 1.00 0.00 C ATOM 912 CD LYS A 413 -4.832 9.914 10.035 1.00 0.00 C ATOM 913 CE LYS A 413 -5.982 10.555 10.794 1.00 0.00 C ATOM 914 NZ LYS A 413 -6.868 9.537 11.425 1.00 0.00 N ATOM 0 H LYS A 413 -4.920 9.684 6.218 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.898 10.080 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.595 7.652 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.605 7.777 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.905 9.640 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.010 8.279 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -4.231 9.316 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.181 10.691 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.585 11.217 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.567 11.173 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.989 9.760 12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.796 9.545 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -6.438 8.595 11.328 1.00 0.00 H new ATOM 928 N VAL A 414 -2.284 7.766 5.859 1.00 0.00 N ATOM 929 CA VAL A 414 -1.220 6.978 5.244 1.00 0.00 C ATOM 930 C VAL A 414 -0.107 7.878 4.719 1.00 0.00 C ATOM 931 O VAL A 414 1.075 7.615 4.941 1.00 0.00 O ATOM 932 CB VAL A 414 -1.756 6.109 4.090 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.631 5.314 3.446 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.854 5.182 4.589 1.00 0.00 C ATOM 0 H VAL A 414 -3.200 7.646 5.427 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.820 6.325 6.019 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.180 6.768 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.032 4.708 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.119 5.999 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.172 4.664 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.222 4.575 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.455 4.531 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.673 5.775 4.996 1.00 0.00 H new ATOM 944 N ALA A 415 -0.495 8.945 4.026 1.00 0.00 N ATOM 945 CA ALA A 415 0.468 9.889 3.474 1.00 0.00 C ATOM 946 C ALA A 415 1.313 10.504 4.581 1.00 0.00 C ATOM 947 O ALA A 415 2.505 10.752 4.402 1.00 0.00 O ATOM 948 CB ALA A 415 -0.249 10.977 2.687 1.00 0.00 C ATOM 0 H ALA A 415 -1.470 9.176 3.834 1.00 0.00 H new ATOM 0 HA ALA A 415 1.130 9.348 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.483 11.675 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.811 10.525 1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.933 11.512 3.346 1.00 0.00 H new ATOM 954 N ASP A 416 0.683 10.746 5.726 1.00 0.00 N ATOM 955 CA ASP A 416 1.372 11.334 6.870 1.00 0.00 C ATOM 956 C ASP A 416 2.514 10.441 7.323 1.00 0.00 C ATOM 957 O ASP A 416 3.526 10.907 7.845 1.00 0.00 O ATOM 958 CB ASP A 416 0.388 11.574 8.019 1.00 0.00 C ATOM 959 CG ASP A 416 0.997 12.375 9.154 1.00 0.00 C ATOM 960 OD1 ASP A 416 2.161 12.807 9.021 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.305 12.578 10.174 1.00 0.00 O ATOM 0 H ASP A 416 -0.304 10.544 5.887 1.00 0.00 H new ATOM 0 HA ASP A 416 1.789 12.294 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.488 12.099 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.042 10.614 8.402 1.00 0.00 H new ATOM 966 N GLU A 417 2.332 9.154 7.102 1.00 0.00 N ATOM 967 CA GLU A 417 3.323 8.149 7.458 1.00 0.00 C ATOM 968 C GLU A 417 3.617 8.166 8.955 1.00 0.00 C ATOM 969 O GLU A 417 4.771 8.074 9.374 1.00 0.00 O ATOM 970 CB GLU A 417 4.607 8.373 6.664 1.00 0.00 C ATOM 971 CG GLU A 417 4.441 8.169 5.168 1.00 0.00 C ATOM 972 CD GLU A 417 5.741 8.351 4.408 1.00 0.00 C ATOM 973 OE1 GLU A 417 6.314 9.459 4.470 1.00 0.00 O ATOM 974 OE2 GLU A 417 6.185 7.386 3.754 1.00 0.00 O ATOM 0 H GLU A 417 1.491 8.771 6.669 1.00 0.00 H new ATOM 0 HA GLU A 417 2.915 7.170 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 417 4.965 9.386 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 417 5.375 7.693 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 417 4.053 7.168 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 417 3.701 8.873 4.789 1.00 0.00 H new ATOM 981 N THR A 418 2.559 8.273 9.751 1.00 0.00 N ATOM 982 CA THR A 418 2.685 8.291 11.202 1.00 0.00 C ATOM 983 C THR A 418 1.311 8.370 11.860 1.00 0.00 C ATOM 984 O THR A 418 1.125 9.051 12.868 1.00 0.00 O ATOM 985 CB THR A 418 3.554 9.466 11.684 1.00 0.00 C ATOM 986 OG1 THR A 418 3.663 9.448 13.112 1.00 0.00 O ATOM 987 CG2 THR A 418 2.965 10.785 11.229 1.00 0.00 C ATOM 0 H THR A 418 1.600 8.349 9.413 1.00 0.00 H new ATOM 0 HA THR A 418 3.174 7.361 11.493 1.00 0.00 H new ATOM 0 HB THR A 418 4.548 9.359 11.250 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.778 9.299 13.506 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.593 11.604 11.579 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.916 10.805 10.140 1.00 0.00 H new ATOM 0 HG23 THR A 418 1.961 10.896 11.640 1.00 0.00 H new ATOM 995 N ALA A 419 0.348 7.664 11.274 1.00 0.00 N ATOM 996 CA ALA A 419 -1.012 7.653 11.798 1.00 0.00 C ATOM 997 C ALA A 419 -1.761 6.392 11.376 1.00 0.00 C ATOM 998 O ALA A 419 -2.539 5.836 12.153 1.00 0.00 O ATOM 999 CB ALA A 419 -1.761 8.894 11.336 1.00 0.00 C ATOM 0 H ALA A 419 0.485 7.094 10.439 1.00 0.00 H new ATOM 0 HA ALA A 419 -0.954 7.656 12.886 1.00 0.00 H new ATOM 0 HB1 ALA A 419 -2.776 8.875 11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 419 -1.246 9.785 11.696 1.00 0.00 H new ATOM 0 HB3 ALA A 419 -1.798 8.912 10.247 1.00 0.00 H new ATOM 1005 N LYS A 420 -1.531 5.947 10.143 1.00 0.00 N ATOM 1006 CA LYS A 420 -2.193 4.753 9.624 1.00 0.00 C ATOM 1007 C LYS A 420 -1.973 3.558 10.549 1.00 0.00 C ATOM 1008 O LYS A 420 -2.898 2.793 10.820 1.00 0.00 O ATOM 1009 CB LYS A 420 -1.699 4.421 8.208 1.00 0.00 C ATOM 1010 CG LYS A 420 -0.232 4.015 8.128 1.00 0.00 C ATOM 1011 CD LYS A 420 0.701 5.186 8.395 1.00 0.00 C ATOM 1012 CE LYS A 420 2.160 4.762 8.328 1.00 0.00 C ATOM 1013 NZ LYS A 420 2.484 3.722 9.344 1.00 0.00 N ATOM 0 H LYS A 420 -0.892 6.394 9.486 1.00 0.00 H new ATOM 0 HA LYS A 420 -3.261 4.964 9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.309 3.613 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.858 5.290 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -0.035 3.223 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -0.023 3.604 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 420 0.516 5.974 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 420 0.488 5.606 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 420 2.381 4.378 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 420 2.798 5.632 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 3.516 3.607 9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 2.112 4.014 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 2.051 2.818 9.066 1.00 0.00 H new ATOM 1027 N ASP A 421 -0.744 3.408 11.031 1.00 0.00 N ATOM 1028 CA ASP A 421 -0.404 2.309 11.928 1.00 0.00 C ATOM 1029 C ASP A 421 -1.147 2.450 13.253 1.00 0.00 C ATOM 1030 O ASP A 421 -1.152 3.521 13.859 1.00 0.00 O ATOM 1031 CB ASP A 421 1.107 2.276 12.173 1.00 0.00 C ATOM 1032 CG ASP A 421 1.540 1.098 13.027 1.00 0.00 C ATOM 1033 OD1 ASP A 421 0.673 0.280 13.402 1.00 0.00 O ATOM 1034 OD2 ASP A 421 2.750 0.992 13.319 1.00 0.00 O ATOM 0 H ASP A 421 0.033 4.033 10.816 1.00 0.00 H new ATOM 0 HA ASP A 421 -0.707 1.373 11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 421 1.625 2.234 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 421 1.412 3.203 12.659 1.00 0.00 H new ATOM 1039 N GLY A 422 -1.772 1.362 13.697 1.00 0.00 N ATOM 1040 CA GLY A 422 -2.508 1.391 14.948 1.00 0.00 C ATOM 1041 C GLY A 422 -1.596 1.516 16.153 1.00 0.00 C ATOM 1042 O GLY A 422 -0.574 2.200 16.095 1.00 0.00 O ATOM 0 H GLY A 422 -1.782 0.464 13.214 1.00 0.00 H new ATOM 0 HA2 GLY A 422 -3.206 2.228 14.936 1.00 0.00 H new ATOM 0 HA3 GLY A 422 -3.102 0.481 15.038 1.00 0.00 H new ATOM 1046 N LYS A 423 -1.968 0.849 17.245 1.00 0.00 N ATOM 1047 CA LYS A 423 -1.185 0.878 18.479 1.00 0.00 C ATOM 1048 C LYS A 423 -1.118 2.290 19.056 1.00 0.00 C ATOM 1049 O LYS A 423 -0.836 3.254 18.342 1.00 0.00 O ATOM 1050 CB LYS A 423 0.229 0.348 18.226 1.00 0.00 C ATOM 1051 CG LYS A 423 0.254 -1.031 17.588 1.00 0.00 C ATOM 1052 CD LYS A 423 1.675 -1.525 17.378 1.00 0.00 C ATOM 1053 CE LYS A 423 1.696 -2.841 16.617 1.00 0.00 C ATOM 1054 NZ LYS A 423 1.059 -2.712 15.277 1.00 0.00 N ATOM 0 H LYS A 423 -2.812 0.279 17.299 1.00 0.00 H new ATOM 0 HA LYS A 423 -1.682 0.235 19.206 1.00 0.00 H new ATOM 0 HB2 LYS A 423 0.761 1.048 17.581 1.00 0.00 H new ATOM 0 HB3 LYS A 423 0.770 0.312 19.172 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -0.287 -1.735 18.221 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -0.266 -0.999 16.630 1.00 0.00 H new ATOM 0 HD2 LYS A 423 2.245 -0.776 16.829 1.00 0.00 H new ATOM 0 HD3 LYS A 423 2.164 -1.653 18.344 1.00 0.00 H new ATOM 0 HE2 LYS A 423 2.726 -3.177 16.499 1.00 0.00 H new ATOM 0 HE3 LYS A 423 1.176 -3.604 17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 1.378 -3.490 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 0.025 -2.753 15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 1.329 -1.803 14.850 1.00 0.00 H new ATOM 1068 N THR A 424 -1.381 2.409 20.353 1.00 0.00 N ATOM 1069 CA THR A 424 -1.351 3.704 21.021 1.00 0.00 C ATOM 1070 C THR A 424 0.038 4.329 20.954 1.00 0.00 C ATOM 1071 O THR A 424 1.033 3.701 21.322 1.00 0.00 O ATOM 1072 CB THR A 424 -1.776 3.588 22.496 1.00 0.00 C ATOM 1073 OG1 THR A 424 -0.907 2.683 23.188 1.00 0.00 O ATOM 1074 CG2 THR A 424 -3.215 3.104 22.609 1.00 0.00 C ATOM 0 H THR A 424 -1.617 1.625 20.962 1.00 0.00 H new ATOM 0 HA THR A 424 -2.060 4.343 20.495 1.00 0.00 H new ATOM 0 HB THR A 424 -1.705 4.577 22.950 1.00 0.00 H new ATOM 0 HG1 THR A 424 -0.005 2.741 22.809 1.00 0.00 H new ATOM 0 HG21 THR A 424 -3.492 3.030 23.660 1.00 0.00 H new ATOM 0 HG22 THR A 424 -3.877 3.810 22.108 1.00 0.00 H new ATOM 0 HG23 THR A 424 -3.307 2.125 22.140 1.00 0.00 H new ATOM 1082 N GLY A 425 0.099 5.571 20.484 1.00 0.00 N ATOM 1083 CA GLY A 425 1.367 6.268 20.377 1.00 0.00 C ATOM 1084 C GLY A 425 1.930 6.659 21.730 1.00 0.00 C ATOM 1085 O GLY A 425 3.122 6.491 21.986 1.00 0.00 O ATOM 0 H GLY A 425 -0.711 6.109 20.174 1.00 0.00 H new ATOM 0 HA2 GLY A 425 2.085 5.633 19.858 1.00 0.00 H new ATOM 0 HA3 GLY A 425 1.236 7.163 19.769 1.00 0.00 H new ATOM 1089 N ASN A 426 1.067 7.183 22.596 1.00 0.00 N ATOM 1090 CA ASN A 426 1.476 7.602 23.932 1.00 0.00 C ATOM 1091 C ASN A 426 0.262 7.956 24.787 1.00 0.00 C ATOM 1092 O ASN A 426 -0.663 8.620 24.322 1.00 0.00 O ATOM 1093 CB ASN A 426 2.429 8.798 23.849 1.00 0.00 C ATOM 1094 CG ASN A 426 1.823 9.983 23.120 1.00 0.00 C ATOM 1095 OD1 ASN A 426 0.834 10.565 23.566 1.00 0.00 O ATOM 1096 ND2 ASN A 426 2.415 10.347 21.988 1.00 0.00 N ATOM 0 H ASN A 426 0.078 7.328 22.395 1.00 0.00 H new ATOM 0 HA ASN A 426 1.997 6.768 24.403 1.00 0.00 H new ATOM 0 HB2 ASN A 426 2.711 9.103 24.857 1.00 0.00 H new ATOM 0 HB3 ASN A 426 3.344 8.493 23.340 1.00 0.00 H new ATOM 0 HD21 ASN A 426 2.052 11.136 21.453 1.00 0.00 H new ATOM 0 HD22 ASN A 426 3.233 9.838 21.653 1.00 0.00 H new ATOM 1103 N THR A 427 0.276 7.499 26.039 1.00 0.00 N ATOM 1104 CA THR A 427 -0.819 7.757 26.971 1.00 0.00 C ATOM 1105 C THR A 427 -2.175 7.438 26.336 1.00 0.00 C ATOM 1106 O THR A 427 -2.307 6.450 25.612 1.00 0.00 O ATOM 1107 CB THR A 427 -0.806 9.220 27.465 1.00 0.00 C ATOM 1108 OG1 THR A 427 -0.941 10.119 26.359 1.00 0.00 O ATOM 1109 CG2 THR A 427 0.481 9.525 28.217 1.00 0.00 C ATOM 0 H THR A 427 1.038 6.946 26.432 1.00 0.00 H new ATOM 0 HA THR A 427 -0.670 7.100 27.828 1.00 0.00 H new ATOM 0 HB THR A 427 -1.649 9.355 28.143 1.00 0.00 H new ATOM 0 HG1 THR A 427 -1.242 9.623 25.569 1.00 0.00 H new ATOM 0 HG21 THR A 427 0.468 10.561 28.555 1.00 0.00 H new ATOM 0 HG22 THR A 427 0.565 8.863 29.079 1.00 0.00 H new ATOM 0 HG23 THR A 427 1.334 9.370 27.556 1.00 0.00 H new ATOM 1117 N ASN A 428 -3.176 8.279 26.605 1.00 0.00 N ATOM 1118 CA ASN A 428 -4.512 8.087 26.057 1.00 0.00 C ATOM 1119 C ASN A 428 -5.437 9.228 26.469 1.00 0.00 C ATOM 1120 O ASN A 428 -6.188 9.757 25.649 1.00 0.00 O ATOM 1121 CB ASN A 428 -5.101 6.751 26.518 1.00 0.00 C ATOM 1122 CG ASN A 428 -5.180 6.642 28.029 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -4.166 6.725 28.722 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -6.389 6.455 28.548 1.00 0.00 N ATOM 0 H ASN A 428 -3.082 9.101 27.202 1.00 0.00 H new ATOM 0 HA ASN A 428 -4.427 8.079 24.970 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -6.099 6.632 26.096 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -4.491 5.935 26.129 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -6.503 6.374 29.558 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -7.203 6.392 27.936 1.00 0.00 H new ATOM 1131 N THR A 429 -5.377 9.602 27.744 1.00 0.00 N ATOM 1132 CA THR A 429 -6.208 10.680 28.265 1.00 0.00 C ATOM 1133 C THR A 429 -5.886 12.002 27.577 1.00 0.00 C ATOM 1134 O THR A 429 -4.716 12.349 27.404 1.00 0.00 O ATOM 1135 CB THR A 429 -6.025 10.845 29.787 1.00 0.00 C ATOM 1136 OG1 THR A 429 -6.355 9.622 30.455 1.00 0.00 O ATOM 1137 CG2 THR A 429 -6.900 11.970 30.323 1.00 0.00 C ATOM 0 H THR A 429 -4.761 9.173 28.435 1.00 0.00 H new ATOM 0 HA THR A 429 -7.244 10.410 28.060 1.00 0.00 H new ATOM 0 HB THR A 429 -4.982 11.096 29.978 1.00 0.00 H new ATOM 0 HG1 THR A 429 -6.235 9.734 31.421 1.00 0.00 H new ATOM 0 HG21 THR A 429 -6.752 12.065 31.399 1.00 0.00 H new ATOM 0 HG22 THR A 429 -6.629 12.906 29.835 1.00 0.00 H new ATOM 0 HG23 THR A 429 -7.947 11.745 30.119 1.00 0.00 H new ATOM 1145 N THR A 430 -6.936 12.730 27.188 1.00 0.00 N ATOM 1146 CA THR A 430 -6.794 14.020 26.513 1.00 0.00 C ATOM 1147 C THR A 430 -6.349 13.847 25.060 1.00 0.00 C ATOM 1148 O THR A 430 -6.876 14.506 24.162 1.00 0.00 O ATOM 1149 CB THR A 430 -5.799 14.946 27.245 1.00 0.00 C ATOM 1150 OG1 THR A 430 -6.233 15.162 28.594 1.00 0.00 O ATOM 1151 CG2 THR A 430 -5.674 16.284 26.530 1.00 0.00 C ATOM 0 H THR A 430 -7.904 12.442 27.332 1.00 0.00 H new ATOM 0 HA THR A 430 -7.780 14.485 26.530 1.00 0.00 H new ATOM 0 HB THR A 430 -4.823 14.461 27.248 1.00 0.00 H new ATOM 0 HG1 THR A 430 -5.596 15.749 29.053 1.00 0.00 H new ATOM 0 HG21 THR A 430 -4.967 16.918 27.065 1.00 0.00 H new ATOM 0 HG22 THR A 430 -5.317 16.121 25.513 1.00 0.00 H new ATOM 0 HG23 THR A 430 -6.648 16.772 26.499 1.00 0.00 H new ATOM 1159 N GLY A 431 -5.382 12.963 24.834 1.00 0.00 N ATOM 1160 CA GLY A 431 -4.890 12.728 23.489 1.00 0.00 C ATOM 1161 C GLY A 431 -4.295 13.972 22.865 1.00 0.00 C ATOM 1162 O GLY A 431 -4.522 14.255 21.688 1.00 0.00 O ATOM 0 H GLY A 431 -4.930 12.405 25.559 1.00 0.00 H new ATOM 0 HA2 GLY A 431 -4.136 11.941 23.513 1.00 0.00 H new ATOM 0 HA3 GLY A 431 -5.707 12.367 22.864 1.00 0.00 H new ATOM 1166 N SER A 432 -3.531 14.719 23.658 1.00 0.00 N ATOM 1167 CA SER A 432 -2.895 15.942 23.181 1.00 0.00 C ATOM 1168 C SER A 432 -1.648 15.621 22.361 1.00 0.00 C ATOM 1169 O SER A 432 -0.532 15.972 22.746 1.00 0.00 O ATOM 1170 CB SER A 432 -2.534 16.845 24.363 1.00 0.00 C ATOM 1171 OG SER A 432 -1.900 18.034 23.924 1.00 0.00 O ATOM 0 H SER A 432 -3.338 14.498 24.635 1.00 0.00 H new ATOM 0 HA SER A 432 -3.601 16.467 22.538 1.00 0.00 H new ATOM 0 HB2 SER A 432 -3.436 17.095 24.922 1.00 0.00 H new ATOM 0 HB3 SER A 432 -1.875 16.309 25.046 1.00 0.00 H new ATOM 0 HG SER A 432 -1.073 17.808 23.449 1.00 0.00 H new ATOM 1177 N SER A 433 -1.847 14.953 21.229 1.00 0.00 N ATOM 1178 CA SER A 433 -0.742 14.582 20.353 1.00 0.00 C ATOM 1179 C SER A 433 -0.055 15.822 19.790 1.00 0.00 C ATOM 1180 O SER A 433 1.193 15.872 19.820 1.00 0.00 O ATOM 1181 CB SER A 433 -1.246 13.700 19.210 1.00 0.00 C ATOM 1182 OG SER A 433 -2.227 14.374 18.440 1.00 0.00 O ATOM 1183 OXT SER A 433 -0.772 16.733 19.323 1.00 0.00 O ATOM 0 H SER A 433 -2.765 14.657 20.897 1.00 0.00 H new ATOM 0 HA SER A 433 -0.015 14.022 20.942 1.00 0.00 H new ATOM 0 HB2 SER A 433 -0.410 13.415 18.571 1.00 0.00 H new ATOM 0 HB3 SER A 433 -1.666 12.779 19.615 1.00 0.00 H new ATOM 0 HG SER A 433 -2.079 15.341 18.496 1.00 0.00 H new TER 1189 SER A 433