USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 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 396 HIS : no HD1:sc= 0.207 K(o=0.34,f=-3.3) USER MOD Set 1.2: A 405 THR OG1 : rot 130:sc= 0.136 USER MOD Single : A 355 SER OG : rot -9:sc= 0.714 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot -0:sc= 0.611 USER MOD Single : A 363 GLN : amide:sc=-0.00815 X(o=-0.0081,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -165:sc= -0.0453 (180deg=-0.276) USER MOD Single : A 365 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-1.1) USER MOD Single : A 366 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0856) USER MOD Single : A 370 SER OG : rot 180:sc= -0.175 USER MOD Single : A 371 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.4) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot -110:sc= -0.224 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.67 F(o=-3.2!,f=-0.67) USER MOD Single : A 383 LYS NZ :NH3+ 152:sc= -3.12! (180deg=-5.44!) USER MOD Single : A 384 LYS NZ :NH3+ -118:sc= -1.17 (180deg=-4.97!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 167:sc=-0.00911 (180deg=-0.219) USER MOD Single : A 391 SER OG : rot 170:sc= -0.0529 USER MOD Single : A 394 LYS NZ :NH3+ -132:sc= 0.436 (180deg=-0.211) USER MOD Single : A 397 ASN : amide:sc= 0.406 K(o=0.41,f=-3.3!) USER MOD Single : A 401 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.37) USER MOD Single : A 402 LYS NZ :NH3+ 168:sc= -0.0371 (180deg=-0.214) USER MOD Single : A 403 LYS NZ :NH3+ -167:sc= -0.0118 (180deg=-0.189) USER MOD Single : A 408 LYS NZ :NH3+ 167:sc= -0.0234 (180deg=-0.221) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 11:sc= 0.721 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN :FLIP amide:sc= -0.127 F(o=-2!,f=-0.13) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -1.64 X(o=-1.6,f=-2) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 11:sc= 0.723 USER MOD Single : A 432 SER OG : rot -62:sc= 0.16 USER MOD Single : A 433 SER OG : rot -11:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 11.974 18.742 -22.960 1.00 0.00 N ATOM 2 CA GLY A 354 11.970 20.228 -22.876 1.00 0.00 C ATOM 3 C GLY A 354 10.712 20.769 -22.227 1.00 0.00 C ATOM 4 O GLY A 354 10.111 21.724 -22.722 1.00 0.00 O ATOM 0 HA2 GLY A 354 12.839 20.559 -22.308 1.00 0.00 H new ATOM 0 HA3 GLY A 354 12.066 20.646 -23.878 1.00 0.00 H new ATOM 10 N SER A 355 10.313 20.158 -21.115 1.00 0.00 N ATOM 11 CA SER A 355 9.118 20.579 -20.390 1.00 0.00 C ATOM 12 C SER A 355 9.136 20.040 -18.960 1.00 0.00 C ATOM 13 O SER A 355 10.171 20.069 -18.294 1.00 0.00 O ATOM 14 CB SER A 355 7.860 20.102 -21.122 1.00 0.00 C ATOM 15 OG SER A 355 7.774 20.665 -22.419 1.00 0.00 O ATOM 0 H SER A 355 10.802 19.367 -20.695 1.00 0.00 H new ATOM 0 HA SER A 355 9.108 21.668 -20.346 1.00 0.00 H new ATOM 0 HB2 SER A 355 7.870 19.015 -21.195 1.00 0.00 H new ATOM 0 HB3 SER A 355 6.976 20.375 -20.546 1.00 0.00 H new ATOM 0 HG SER A 355 8.463 21.355 -22.523 1.00 0.00 H new ATOM 21 N HIS A 356 7.990 19.550 -18.491 1.00 0.00 N ATOM 22 CA HIS A 356 7.887 19.009 -17.140 1.00 0.00 C ATOM 23 C HIS A 356 8.821 17.817 -16.958 1.00 0.00 C ATOM 24 O HIS A 356 8.847 16.904 -17.782 1.00 0.00 O ATOM 25 CB HIS A 356 6.444 18.593 -16.844 1.00 0.00 C ATOM 26 CG HIS A 356 6.256 17.999 -15.482 1.00 0.00 C ATOM 27 ND1 HIS A 356 6.535 18.681 -14.316 1.00 0.00 N ATOM 28 CD2 HIS A 356 5.815 16.776 -15.103 1.00 0.00 C ATOM 29 CE1 HIS A 356 6.273 17.904 -13.280 1.00 0.00 C ATOM 30 NE2 HIS A 356 5.835 16.744 -13.730 1.00 0.00 N ATOM 0 H HIS A 356 7.122 19.517 -19.026 1.00 0.00 H new ATOM 0 HA HIS A 356 8.184 19.789 -16.439 1.00 0.00 H new ATOM 0 HB2 HIS A 356 5.796 19.464 -16.943 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.123 17.870 -17.594 1.00 0.00 H new ATOM 0 HD2 HIS A 356 5.505 15.975 -15.758 1.00 0.00 H new ATOM 0 HE1 HIS A 356 6.396 18.173 -12.241 1.00 0.00 H new ATOM 0 HE2 HIS A 356 5.556 15.951 -13.152 1.00 0.00 H new ATOM 39 N MET A 357 9.586 17.834 -15.871 1.00 0.00 N ATOM 40 CA MET A 357 10.522 16.755 -15.577 1.00 0.00 C ATOM 41 C MET A 357 9.780 15.451 -15.291 1.00 0.00 C ATOM 42 O MET A 357 8.794 15.435 -14.553 1.00 0.00 O ATOM 43 CB MET A 357 11.411 17.130 -14.390 1.00 0.00 C ATOM 44 CG MET A 357 10.635 17.511 -13.140 1.00 0.00 C ATOM 45 SD MET A 357 11.712 17.947 -11.761 1.00 0.00 S ATOM 46 CE MET A 357 10.507 18.381 -10.509 1.00 0.00 C ATOM 0 H MET A 357 9.576 18.583 -15.179 1.00 0.00 H new ATOM 0 HA MET A 357 11.151 16.604 -16.454 1.00 0.00 H new ATOM 0 HB2 MET A 357 12.066 16.290 -14.158 1.00 0.00 H new ATOM 0 HB3 MET A 357 12.052 17.964 -14.677 1.00 0.00 H new ATOM 0 HG2 MET A 357 9.981 18.353 -13.366 1.00 0.00 H new ATOM 0 HG3 MET A 357 9.994 16.679 -12.847 1.00 0.00 H new ATOM 0 HE1 MET A 357 11.022 18.674 -9.594 1.00 0.00 H new ATOM 0 HE2 MET A 357 9.897 19.212 -10.864 1.00 0.00 H new ATOM 0 HE3 MET A 357 9.867 17.522 -10.306 1.00 0.00 H new ATOM 56 N LEU A 358 10.263 14.361 -15.882 1.00 0.00 N ATOM 57 CA LEU A 358 9.650 13.049 -15.696 1.00 0.00 C ATOM 58 C LEU A 358 9.882 12.535 -14.273 1.00 0.00 C ATOM 59 O LEU A 358 9.742 13.283 -13.306 1.00 0.00 O ATOM 60 CB LEU A 358 10.199 12.050 -16.723 1.00 0.00 C ATOM 61 CG LEU A 358 9.843 12.342 -18.186 1.00 0.00 C ATOM 62 CD1 LEU A 358 10.555 13.593 -18.682 1.00 0.00 C ATOM 63 CD2 LEU A 358 10.190 11.149 -19.065 1.00 0.00 C ATOM 0 H LEU A 358 11.078 14.361 -16.495 1.00 0.00 H new ATOM 0 HA LEU A 358 8.576 13.151 -15.850 1.00 0.00 H new ATOM 0 HB2 LEU A 358 11.285 12.021 -16.631 1.00 0.00 H new ATOM 0 HB3 LEU A 358 9.831 11.056 -16.469 1.00 0.00 H new ATOM 0 HG LEU A 358 8.769 12.519 -18.245 1.00 0.00 H new ATOM 0 HD11 LEU A 358 10.285 13.777 -19.722 1.00 0.00 H new ATOM 0 HD12 LEU A 358 10.257 14.447 -18.073 1.00 0.00 H new ATOM 0 HD13 LEU A 358 11.633 13.452 -18.607 1.00 0.00 H new ATOM 0 HD21 LEU A 358 9.931 11.372 -20.100 1.00 0.00 H new ATOM 0 HD22 LEU A 358 11.258 10.943 -18.994 1.00 0.00 H new ATOM 0 HD23 LEU A 358 9.629 10.276 -18.731 1.00 0.00 H new ATOM 75 N GLU A 359 10.239 11.256 -14.151 1.00 0.00 N ATOM 76 CA GLU A 359 10.488 10.654 -12.845 1.00 0.00 C ATOM 77 C GLU A 359 11.590 9.602 -12.936 1.00 0.00 C ATOM 78 O GLU A 359 11.494 8.532 -12.334 1.00 0.00 O ATOM 79 CB GLU A 359 9.207 10.017 -12.295 1.00 0.00 C ATOM 80 CG GLU A 359 8.066 11.004 -12.094 1.00 0.00 C ATOM 81 CD GLU A 359 6.810 10.341 -11.564 1.00 0.00 C ATOM 82 OE1 GLU A 359 6.275 9.446 -12.252 1.00 0.00 O ATOM 83 OE2 GLU A 359 6.359 10.717 -10.461 1.00 0.00 O ATOM 0 H GLU A 359 10.361 10.620 -14.939 1.00 0.00 H new ATOM 0 HA GLU A 359 10.812 11.443 -12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 359 8.880 9.233 -12.978 1.00 0.00 H new ATOM 0 HB3 GLU A 359 9.431 9.537 -11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 359 8.382 11.783 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 359 7.842 11.493 -13.042 1.00 0.00 H new ATOM 90 N VAL A 360 12.638 9.917 -13.693 1.00 0.00 N ATOM 91 CA VAL A 360 13.762 9.006 -13.865 1.00 0.00 C ATOM 92 C VAL A 360 14.552 8.863 -12.568 1.00 0.00 C ATOM 93 O VAL A 360 14.786 9.843 -11.860 1.00 0.00 O ATOM 94 CB VAL A 360 14.709 9.487 -14.983 1.00 0.00 C ATOM 95 CG1 VAL A 360 15.850 8.501 -15.184 1.00 0.00 C ATOM 96 CG2 VAL A 360 13.941 9.695 -16.281 1.00 0.00 C ATOM 0 H VAL A 360 12.730 10.799 -14.197 1.00 0.00 H new ATOM 0 HA VAL A 360 13.348 8.037 -14.145 1.00 0.00 H new ATOM 0 HB VAL A 360 15.137 10.443 -14.681 1.00 0.00 H new ATOM 0 HG11 VAL A 360 16.506 8.860 -15.977 1.00 0.00 H new ATOM 0 HG12 VAL A 360 16.418 8.408 -14.258 1.00 0.00 H new ATOM 0 HG13 VAL A 360 15.445 7.528 -15.461 1.00 0.00 H new ATOM 0 HG21 VAL A 360 14.626 10.034 -17.058 1.00 0.00 H new ATOM 0 HG22 VAL A 360 13.482 8.755 -16.587 1.00 0.00 H new ATOM 0 HG23 VAL A 360 13.165 10.445 -16.128 1.00 0.00 H new ATOM 106 N LEU A 361 14.962 7.634 -12.261 1.00 0.00 N ATOM 107 CA LEU A 361 15.727 7.362 -11.048 1.00 0.00 C ATOM 108 C LEU A 361 17.016 8.176 -11.021 1.00 0.00 C ATOM 109 O LEU A 361 17.699 8.305 -12.037 1.00 0.00 O ATOM 110 CB LEU A 361 16.052 5.867 -10.933 1.00 0.00 C ATOM 111 CG LEU A 361 14.864 4.950 -10.618 1.00 0.00 C ATOM 112 CD1 LEU A 361 14.187 5.373 -9.322 1.00 0.00 C ATOM 113 CD2 LEU A 361 13.864 4.937 -11.767 1.00 0.00 C ATOM 0 H LEU A 361 14.777 6.812 -12.836 1.00 0.00 H new ATOM 0 HA LEU A 361 15.112 7.655 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 361 16.502 5.539 -11.870 1.00 0.00 H new ATOM 0 HB3 LEU A 361 16.804 5.736 -10.155 1.00 0.00 H new ATOM 0 HG LEU A 361 15.245 3.937 -10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 361 13.347 4.710 -9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 361 14.903 5.316 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 361 13.826 6.397 -9.418 1.00 0.00 H new ATOM 0 HD21 LEU A 361 13.032 4.279 -11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 361 13.490 5.947 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 361 14.354 4.576 -12.671 1.00 0.00 H new ATOM 125 N THR A 362 17.334 8.726 -9.850 1.00 0.00 N ATOM 126 CA THR A 362 18.537 9.535 -9.669 1.00 0.00 C ATOM 127 C THR A 362 18.634 10.629 -10.727 1.00 0.00 C ATOM 128 O THR A 362 19.713 10.908 -11.250 1.00 0.00 O ATOM 129 CB THR A 362 19.818 8.676 -9.704 1.00 0.00 C ATOM 130 OG1 THR A 362 19.956 8.041 -10.980 1.00 0.00 O ATOM 131 CG2 THR A 362 19.791 7.619 -8.610 1.00 0.00 C ATOM 0 H THR A 362 16.770 8.624 -9.006 1.00 0.00 H new ATOM 0 HA THR A 362 18.454 9.996 -8.685 1.00 0.00 H new ATOM 0 HB THR A 362 20.670 9.335 -9.535 1.00 0.00 H new ATOM 0 HG1 THR A 362 19.198 8.286 -11.551 1.00 0.00 H new ATOM 0 HG21 THR A 362 20.704 7.026 -8.655 1.00 0.00 H new ATOM 0 HG22 THR A 362 19.721 8.105 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 362 18.928 6.968 -8.754 1.00 0.00 H new ATOM 139 N GLN A 363 17.499 11.250 -11.034 1.00 0.00 N ATOM 140 CA GLN A 363 17.457 12.320 -12.024 1.00 0.00 C ATOM 141 C GLN A 363 18.204 13.550 -11.518 1.00 0.00 C ATOM 142 O GLN A 363 18.951 14.184 -12.263 1.00 0.00 O ATOM 143 CB GLN A 363 16.007 12.681 -12.361 1.00 0.00 C ATOM 144 CG GLN A 363 15.194 13.135 -11.158 1.00 0.00 C ATOM 145 CD GLN A 363 13.764 13.487 -11.519 1.00 0.00 C ATOM 146 OE1 GLN A 363 13.517 14.369 -12.343 1.00 0.00 O ATOM 147 NE2 GLN A 363 12.812 12.800 -10.900 1.00 0.00 N ATOM 0 H GLN A 363 16.597 11.031 -10.612 1.00 0.00 H new ATOM 0 HA GLN A 363 17.948 11.966 -12.931 1.00 0.00 H new ATOM 0 HB2 GLN A 363 16.004 13.473 -13.110 1.00 0.00 H new ATOM 0 HB3 GLN A 363 15.521 11.815 -12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 363 15.191 12.345 -10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 363 15.675 14.003 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 363 13.062 12.078 -10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 363 11.831 12.994 -11.100 1.00 0.00 H new ATOM 156 N LYS A 364 18.000 13.874 -10.245 1.00 0.00 N ATOM 157 CA LYS A 364 18.656 15.018 -9.630 1.00 0.00 C ATOM 158 C LYS A 364 19.848 14.562 -8.802 1.00 0.00 C ATOM 159 O LYS A 364 20.246 13.399 -8.862 1.00 0.00 O ATOM 160 CB LYS A 364 17.665 15.785 -8.751 1.00 0.00 C ATOM 161 CG LYS A 364 16.998 14.920 -7.694 1.00 0.00 C ATOM 162 CD LYS A 364 16.009 15.719 -6.861 1.00 0.00 C ATOM 163 CE LYS A 364 15.308 14.843 -5.836 1.00 0.00 C ATOM 164 NZ LYS A 364 14.530 13.747 -6.479 1.00 0.00 N ATOM 0 H LYS A 364 17.383 13.357 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 364 19.013 15.681 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 364 18.187 16.607 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.897 16.228 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 364 16.482 14.089 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 364 17.758 14.489 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 364 16.531 16.529 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 364 15.268 16.179 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 364 16.047 14.414 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 364 14.640 15.456 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 13.873 13.335 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 13.991 14.129 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 15.182 13.011 -6.818 1.00 0.00 H new ATOM 178 N HIS A 365 20.412 15.479 -8.025 1.00 0.00 N ATOM 179 CA HIS A 365 21.555 15.160 -7.181 1.00 0.00 C ATOM 180 C HIS A 365 21.116 14.401 -5.930 1.00 0.00 C ATOM 181 O HIS A 365 21.752 14.499 -4.880 1.00 0.00 O ATOM 182 CB HIS A 365 22.295 16.438 -6.786 1.00 0.00 C ATOM 183 CG HIS A 365 22.883 17.170 -7.953 1.00 0.00 C ATOM 184 ND1 HIS A 365 22.126 17.642 -9.004 1.00 0.00 N ATOM 185 CD2 HIS A 365 24.165 17.507 -8.234 1.00 0.00 C ATOM 186 CE1 HIS A 365 22.916 18.235 -9.881 1.00 0.00 C ATOM 187 NE2 HIS A 365 24.157 18.168 -9.437 1.00 0.00 N ATOM 0 H HIS A 365 20.097 16.447 -7.962 1.00 0.00 H new ATOM 0 HA HIS A 365 22.229 14.520 -7.751 1.00 0.00 H new ATOM 0 HB2 HIS A 365 21.607 17.100 -6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 365 23.092 16.186 -6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 365 25.031 17.295 -7.625 1.00 0.00 H new ATOM 0 HE1 HIS A 365 22.600 18.696 -10.805 1.00 0.00 H new ATOM 0 HE2 HIS A 365 24.977 18.546 -9.911 1.00 0.00 H new ATOM 196 N LYS A 366 20.030 13.638 -6.047 1.00 0.00 N ATOM 197 CA LYS A 366 19.520 12.859 -4.923 1.00 0.00 C ATOM 198 C LYS A 366 19.107 11.460 -5.376 1.00 0.00 C ATOM 199 O LYS A 366 18.262 11.311 -6.260 1.00 0.00 O ATOM 200 CB LYS A 366 18.318 13.556 -4.267 1.00 0.00 C ATOM 201 CG LYS A 366 18.656 14.855 -3.547 1.00 0.00 C ATOM 202 CD LYS A 366 18.830 16.015 -4.513 1.00 0.00 C ATOM 203 CE LYS A 366 19.146 17.308 -3.778 1.00 0.00 C ATOM 204 NZ LYS A 366 19.343 18.447 -4.717 1.00 0.00 N ATOM 0 H LYS A 366 19.489 13.544 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 366 20.324 12.777 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 366 17.572 13.764 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 366 17.860 12.869 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 366 17.864 15.091 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 366 19.572 14.722 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 366 19.633 15.788 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 366 17.920 16.141 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 366 18.334 17.542 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 366 20.045 17.173 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 19.945 19.166 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 19.801 18.105 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 18.421 18.866 -4.953 1.00 0.00 H new ATOM 218 N PRO A 367 19.696 10.411 -4.771 1.00 0.00 N ATOM 219 CA PRO A 367 19.380 9.027 -5.111 1.00 0.00 C ATOM 220 C PRO A 367 18.141 8.522 -4.382 1.00 0.00 C ATOM 221 O PRO A 367 18.075 7.363 -3.974 1.00 0.00 O ATOM 222 CB PRO A 367 20.621 8.280 -4.647 1.00 0.00 C ATOM 223 CG PRO A 367 21.115 9.054 -3.477 1.00 0.00 C ATOM 224 CD PRO A 367 20.709 10.490 -3.701 1.00 0.00 C ATOM 0 HA PRO A 367 19.152 8.896 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 367 20.384 7.253 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 367 21.372 8.232 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 367 20.686 8.671 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 367 22.198 8.968 -3.386 1.00 0.00 H new ATOM 0 HD2 PRO A 367 20.298 10.935 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 367 21.559 11.103 -4.000 1.00 0.00 H new ATOM 232 N ALA A 368 17.162 9.405 -4.222 1.00 0.00 N ATOM 233 CA ALA A 368 15.920 9.059 -3.541 1.00 0.00 C ATOM 234 C ALA A 368 14.990 8.269 -4.458 1.00 0.00 C ATOM 235 O ALA A 368 15.443 7.517 -5.320 1.00 0.00 O ATOM 236 CB ALA A 368 15.238 10.324 -3.037 1.00 0.00 C ATOM 0 H ALA A 368 17.205 10.368 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 368 16.157 8.422 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 368 14.311 10.060 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 368 15.899 10.841 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 368 15.016 10.978 -3.880 1.00 0.00 H new ATOM 242 N GLU A 369 13.686 8.449 -4.260 1.00 0.00 N ATOM 243 CA GLU A 369 12.680 7.763 -5.060 1.00 0.00 C ATOM 244 C GLU A 369 12.852 6.244 -4.941 1.00 0.00 C ATOM 245 O GLU A 369 12.946 5.716 -3.833 1.00 0.00 O ATOM 246 CB GLU A 369 12.766 8.227 -6.520 1.00 0.00 C ATOM 247 CG GLU A 369 11.566 7.831 -7.366 1.00 0.00 C ATOM 248 CD GLU A 369 11.680 8.310 -8.800 1.00 0.00 C ATOM 249 OE1 GLU A 369 11.779 9.537 -9.011 1.00 0.00 O ATOM 250 OE2 GLU A 369 11.668 7.458 -9.713 1.00 0.00 O ATOM 0 H GLU A 369 13.302 9.069 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 369 11.688 8.014 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 369 12.870 9.312 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 369 13.668 7.812 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 369 11.462 6.746 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 369 10.660 8.242 -6.920 1.00 0.00 H new ATOM 257 N SER A 370 12.893 5.549 -6.075 1.00 0.00 N ATOM 258 CA SER A 370 13.054 4.098 -6.084 1.00 0.00 C ATOM 259 C SER A 370 11.980 3.422 -5.238 1.00 0.00 C ATOM 260 O SER A 370 12.252 2.451 -4.534 1.00 0.00 O ATOM 261 CB SER A 370 14.442 3.715 -5.570 1.00 0.00 C ATOM 262 OG SER A 370 15.460 4.295 -6.367 1.00 0.00 O ATOM 0 H SER A 370 12.817 5.969 -7.001 1.00 0.00 H new ATOM 0 HA SER A 370 12.947 3.754 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 370 14.554 4.043 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 370 14.548 2.630 -5.573 1.00 0.00 H new ATOM 0 HG SER A 370 16.338 4.036 -6.016 1.00 0.00 H new ATOM 268 N GLN A 371 10.759 3.942 -5.316 1.00 0.00 N ATOM 269 CA GLN A 371 9.637 3.394 -4.558 1.00 0.00 C ATOM 270 C GLN A 371 8.326 3.618 -5.306 1.00 0.00 C ATOM 271 O GLN A 371 8.049 4.723 -5.772 1.00 0.00 O ATOM 272 CB GLN A 371 9.554 4.049 -3.175 1.00 0.00 C ATOM 273 CG GLN A 371 10.715 3.712 -2.252 1.00 0.00 C ATOM 274 CD GLN A 371 10.742 2.249 -1.852 1.00 0.00 C ATOM 275 OE1 GLN A 371 9.765 1.721 -1.319 1.00 0.00 O ATOM 276 NE2 GLN A 371 11.868 1.589 -2.096 1.00 0.00 N ATOM 0 H GLN A 371 10.520 4.745 -5.898 1.00 0.00 H new ATOM 0 HA GLN A 371 9.801 2.323 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.507 5.131 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.624 3.743 -2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 371 11.652 3.966 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 371 10.651 4.328 -1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 371 12.653 2.066 -2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 371 11.948 0.605 -1.840 1.00 0.00 H new ATOM 285 N GLN A 372 7.524 2.564 -5.415 1.00 0.00 N ATOM 286 CA GLN A 372 6.242 2.650 -6.105 1.00 0.00 C ATOM 287 C GLN A 372 5.260 3.515 -5.320 1.00 0.00 C ATOM 288 O GLN A 372 4.997 3.263 -4.145 1.00 0.00 O ATOM 289 CB GLN A 372 5.657 1.252 -6.314 1.00 0.00 C ATOM 290 CG GLN A 372 6.532 0.346 -7.165 1.00 0.00 C ATOM 291 CD GLN A 372 5.939 -1.039 -7.341 1.00 0.00 C ATOM 292 OE1 GLN A 372 5.717 -1.760 -6.369 1.00 0.00 O ATOM 293 NE2 GLN A 372 5.679 -1.418 -8.586 1.00 0.00 N ATOM 0 H GLN A 372 7.739 1.642 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 372 6.410 3.114 -7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.501 0.784 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.678 1.344 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.677 0.802 -8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.516 0.260 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 372 5.879 -0.788 -9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 372 5.279 -2.339 -8.766 1.00 0.00 H new ATOM 302 N GLN A 373 4.718 4.534 -5.981 1.00 0.00 N ATOM 303 CA GLN A 373 3.764 5.436 -5.348 1.00 0.00 C ATOM 304 C GLN A 373 2.414 4.753 -5.155 1.00 0.00 C ATOM 305 O GLN A 373 1.891 4.123 -6.074 1.00 0.00 O ATOM 306 CB GLN A 373 3.591 6.702 -6.190 1.00 0.00 C ATOM 307 CG GLN A 373 2.633 7.715 -5.580 1.00 0.00 C ATOM 308 CD GLN A 373 2.464 8.964 -6.430 1.00 0.00 C ATOM 309 OE1 GLN A 373 3.147 9.014 -7.570 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 1.722 9.875 -6.064 1.00 0.00 N flip ATOM 0 H GLN A 373 4.924 4.755 -6.955 1.00 0.00 H new ATOM 0 HA GLN A 373 4.156 5.709 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 373 4.565 7.173 -6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.229 6.423 -7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 373 1.660 7.245 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.996 8.001 -4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 373 1.216 9.797 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 373 1.613 10.708 -6.643 1.00 0.00 H new ATOM 319 N ALA A 374 1.851 4.886 -3.958 1.00 0.00 N ATOM 320 CA ALA A 374 0.559 4.284 -3.654 1.00 0.00 C ATOM 321 C ALA A 374 -0.535 4.884 -4.531 1.00 0.00 C ATOM 322 O ALA A 374 -0.606 6.099 -4.701 1.00 0.00 O ATOM 323 CB ALA A 374 0.219 4.468 -2.182 1.00 0.00 C ATOM 0 H ALA A 374 2.269 5.404 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 374 0.621 3.217 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.749 4.013 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.984 3.992 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.178 5.532 -1.948 1.00 0.00 H new ATOM 329 N ALA A 375 -1.379 4.024 -5.092 1.00 0.00 N ATOM 330 CA ALA A 375 -2.463 4.475 -5.956 1.00 0.00 C ATOM 331 C ALA A 375 -3.651 4.971 -5.146 1.00 0.00 C ATOM 332 O ALA A 375 -4.777 4.504 -5.313 1.00 0.00 O ATOM 333 CB ALA A 375 -2.882 3.366 -6.909 1.00 0.00 C ATOM 0 H ALA A 375 -1.333 3.013 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.094 5.315 -6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.692 3.721 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -2.033 3.078 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -3.222 2.503 -6.336 1.00 0.00 H new ATOM 339 N GLU A 376 -3.379 5.923 -4.267 1.00 0.00 N ATOM 340 CA GLU A 376 -4.401 6.510 -3.411 1.00 0.00 C ATOM 341 C GLU A 376 -5.351 7.400 -4.199 1.00 0.00 C ATOM 342 O GLU A 376 -5.310 8.627 -4.104 1.00 0.00 O ATOM 343 CB GLU A 376 -3.750 7.302 -2.286 1.00 0.00 C ATOM 344 CG GLU A 376 -2.762 8.345 -2.779 1.00 0.00 C ATOM 345 CD GLU A 376 -1.999 9.011 -1.650 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.646 9.635 -0.782 1.00 0.00 O ATOM 347 OE2 GLU A 376 -0.754 8.908 -1.633 1.00 0.00 O ATOM 0 H GLU A 376 -2.446 6.311 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 376 -4.987 5.695 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.527 7.795 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.236 6.613 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.054 7.875 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.297 9.105 -3.348 1.00 0.00 H new ATOM 354 N THR A 377 -6.212 6.762 -4.964 1.00 0.00 N ATOM 355 CA THR A 377 -7.200 7.462 -5.772 1.00 0.00 C ATOM 356 C THR A 377 -8.475 6.644 -5.882 1.00 0.00 C ATOM 357 O THR A 377 -8.432 5.416 -5.964 1.00 0.00 O ATOM 358 CB THR A 377 -6.681 7.767 -7.189 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.286 6.553 -7.839 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.506 8.732 -7.147 1.00 0.00 C ATOM 0 H THR A 377 -6.250 5.746 -5.046 1.00 0.00 H new ATOM 0 HA THR A 377 -7.403 8.407 -5.268 1.00 0.00 H new ATOM 0 HB THR A 377 -7.490 8.234 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.959 6.756 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.160 8.929 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.819 9.667 -6.683 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.695 8.293 -6.566 1.00 0.00 H new ATOM 368 N GLU A 378 -9.609 7.333 -5.875 1.00 0.00 N ATOM 369 CA GLU A 378 -10.905 6.674 -5.965 1.00 0.00 C ATOM 370 C GLU A 378 -10.947 5.748 -7.169 1.00 0.00 C ATOM 371 O GLU A 378 -11.503 4.652 -7.109 1.00 0.00 O ATOM 372 CB GLU A 378 -12.022 7.713 -6.073 1.00 0.00 C ATOM 373 CG GLU A 378 -13.418 7.108 -6.103 1.00 0.00 C ATOM 374 CD GLU A 378 -14.506 8.156 -6.228 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.500 8.903 -7.229 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.366 8.228 -5.325 1.00 0.00 O ATOM 0 H GLU A 378 -9.657 8.350 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.054 6.084 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.951 8.399 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.872 8.303 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.491 6.413 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.579 6.530 -5.193 1.00 0.00 H new ATOM 383 N GLY A 379 -10.360 6.208 -8.263 1.00 0.00 N ATOM 384 CA GLY A 379 -10.336 5.428 -9.482 1.00 0.00 C ATOM 385 C GLY A 379 -9.579 4.123 -9.347 1.00 0.00 C ATOM 386 O GLY A 379 -9.970 3.115 -9.933 1.00 0.00 O ATOM 0 H GLY A 379 -9.897 7.114 -8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.360 5.215 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.883 6.022 -10.276 1.00 0.00 H new ATOM 390 N SER A 380 -8.487 4.135 -8.588 1.00 0.00 N ATOM 391 CA SER A 380 -7.683 2.932 -8.409 1.00 0.00 C ATOM 392 C SER A 380 -8.369 1.928 -7.487 1.00 0.00 C ATOM 393 O SER A 380 -8.423 0.736 -7.784 1.00 0.00 O ATOM 394 CB SER A 380 -6.313 3.291 -7.856 1.00 0.00 C ATOM 395 OG SER A 380 -5.525 2.133 -7.649 1.00 0.00 O ATOM 0 H SER A 380 -8.142 4.956 -8.092 1.00 0.00 H new ATOM 0 HA SER A 380 -7.567 2.465 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.803 3.962 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.427 3.829 -6.915 1.00 0.00 H new ATOM 0 HG SER A 380 -5.414 1.981 -6.687 1.00 0.00 H new ATOM 401 N CYS A 381 -8.874 2.417 -6.363 1.00 0.00 N ATOM 402 CA CYS A 381 -9.537 1.568 -5.376 1.00 0.00 C ATOM 403 C CYS A 381 -10.705 0.787 -5.972 1.00 0.00 C ATOM 404 O CYS A 381 -10.844 -0.413 -5.730 1.00 0.00 O ATOM 405 CB CYS A 381 -10.025 2.419 -4.209 1.00 0.00 C ATOM 406 SG CYS A 381 -8.688 3.288 -3.336 1.00 0.00 S ATOM 0 H CYS A 381 -8.838 3.404 -6.108 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.804 0.840 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.743 3.151 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.556 1.782 -3.502 1.00 0.00 H new ATOM 411 N ASN A 382 -11.546 1.471 -6.736 1.00 0.00 N ATOM 412 CA ASN A 382 -12.712 0.839 -7.351 1.00 0.00 C ATOM 413 C ASN A 382 -12.317 -0.400 -8.149 1.00 0.00 C ATOM 414 O ASN A 382 -13.122 -1.314 -8.331 1.00 0.00 O ATOM 415 CB ASN A 382 -13.436 1.830 -8.264 1.00 0.00 C ATOM 416 CG ASN A 382 -13.914 3.073 -7.533 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.656 3.142 -6.230 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.512 3.965 -8.134 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.445 2.464 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.382 0.531 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.767 2.126 -9.072 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.291 1.334 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.691 3.875 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.829 4.794 -7.632 1.00 0.00 H new ATOM 425 N LYS A 383 -11.082 -0.418 -8.633 1.00 0.00 N ATOM 426 CA LYS A 383 -10.584 -1.534 -9.424 1.00 0.00 C ATOM 427 C LYS A 383 -10.054 -2.646 -8.527 1.00 0.00 C ATOM 428 O LYS A 383 -10.195 -3.830 -8.832 1.00 0.00 O ATOM 429 CB LYS A 383 -9.477 -1.046 -10.360 1.00 0.00 C ATOM 430 CG LYS A 383 -9.802 0.273 -11.048 1.00 0.00 C ATOM 431 CD LYS A 383 -11.064 0.185 -11.899 1.00 0.00 C ATOM 432 CE LYS A 383 -10.846 -0.635 -13.165 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.553 -2.065 -12.870 1.00 0.00 N ATOM 0 H LYS A 383 -10.405 0.331 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.409 -1.936 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.554 -0.932 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.292 -1.807 -11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.927 1.052 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.962 0.569 -11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.866 -0.262 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.389 1.190 -12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.734 -0.571 -13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.021 -0.207 -13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.871 -2.656 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.529 -2.189 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.054 -2.351 -12.005 1.00 0.00 H new ATOM 447 N LYS A 384 -9.426 -2.250 -7.427 1.00 0.00 N ATOM 448 CA LYS A 384 -8.846 -3.190 -6.481 1.00 0.00 C ATOM 449 C LYS A 384 -9.911 -3.968 -5.712 1.00 0.00 C ATOM 450 O LYS A 384 -10.848 -3.384 -5.168 1.00 0.00 O ATOM 451 CB LYS A 384 -7.946 -2.429 -5.509 1.00 0.00 C ATOM 452 CG LYS A 384 -6.570 -2.072 -6.068 1.00 0.00 C ATOM 453 CD LYS A 384 -6.630 -1.511 -7.481 1.00 0.00 C ATOM 454 CE LYS A 384 -6.421 -2.595 -8.528 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.471 -2.049 -9.912 1.00 0.00 N ATOM 0 H LYS A 384 -9.306 -1.271 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.263 -3.919 -7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.451 -1.511 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.814 -3.030 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.096 -1.341 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.940 -2.961 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.596 -1.032 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.868 -0.740 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.458 -3.078 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.186 -3.363 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.262 -2.484 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.607 -1.019 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.579 -2.262 -10.402 1.00 0.00 H new ATOM 469 N ASP A 385 -9.748 -5.290 -5.658 1.00 0.00 N ATOM 470 CA ASP A 385 -10.683 -6.149 -4.939 1.00 0.00 C ATOM 471 C ASP A 385 -10.390 -6.112 -3.442 1.00 0.00 C ATOM 472 O ASP A 385 -9.645 -5.255 -2.976 1.00 0.00 O ATOM 473 CB ASP A 385 -10.598 -7.586 -5.455 1.00 0.00 C ATOM 474 CG ASP A 385 -11.005 -7.703 -6.911 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.359 -7.058 -7.762 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.973 -8.439 -7.199 1.00 0.00 O ATOM 0 H ASP A 385 -8.977 -5.787 -6.104 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.693 -5.777 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.578 -7.952 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.240 -8.225 -4.849 1.00 0.00 H new ATOM 481 N GLN A 386 -10.972 -7.044 -2.693 1.00 0.00 N ATOM 482 CA GLN A 386 -10.764 -7.101 -1.247 1.00 0.00 C ATOM 483 C GLN A 386 -9.278 -7.134 -0.904 1.00 0.00 C ATOM 484 O GLN A 386 -8.783 -6.287 -0.161 1.00 0.00 O ATOM 485 CB GLN A 386 -11.460 -8.331 -0.660 1.00 0.00 C ATOM 486 CG GLN A 386 -11.285 -8.474 0.844 1.00 0.00 C ATOM 487 CD GLN A 386 -11.988 -9.697 1.400 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.696 -10.827 1.008 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.922 -9.478 2.318 1.00 0.00 N ATOM 0 H GLN A 386 -11.589 -7.768 -3.060 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.196 -6.200 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.524 -8.279 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.072 -9.225 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.222 -8.533 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.671 -7.582 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.132 -8.525 2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.429 -10.263 2.727 1.00 0.00 H new ATOM 498 N ASN A 387 -8.575 -8.117 -1.451 1.00 0.00 N ATOM 499 CA ASN A 387 -7.155 -8.273 -1.215 1.00 0.00 C ATOM 500 C ASN A 387 -6.358 -7.126 -1.829 1.00 0.00 C ATOM 501 O ASN A 387 -5.253 -6.820 -1.385 1.00 0.00 O ATOM 502 CB ASN A 387 -6.694 -9.604 -1.797 1.00 0.00 C ATOM 503 CG ASN A 387 -7.367 -10.790 -1.137 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.272 -10.977 0.076 1.00 0.00 O ATOM 505 ND2 ASN A 387 -8.050 -11.601 -1.935 1.00 0.00 N ATOM 0 H ASN A 387 -8.976 -8.824 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.978 -8.257 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.903 -9.621 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.614 -9.693 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -8.523 -12.418 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.102 -11.407 -2.935 1.00 0.00 H new ATOM 512 N GLU A 388 -6.920 -6.505 -2.862 1.00 0.00 N ATOM 513 CA GLU A 388 -6.253 -5.404 -3.546 1.00 0.00 C ATOM 514 C GLU A 388 -6.602 -4.060 -2.918 1.00 0.00 C ATOM 515 O GLU A 388 -5.953 -3.053 -3.202 1.00 0.00 O ATOM 516 CB GLU A 388 -6.615 -5.409 -5.030 1.00 0.00 C ATOM 517 CG GLU A 388 -6.234 -6.697 -5.742 1.00 0.00 C ATOM 518 CD GLU A 388 -6.513 -6.645 -7.231 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.690 -6.463 -7.609 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.556 -6.785 -8.021 1.00 0.00 O ATOM 0 H GLU A 388 -7.835 -6.746 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.178 -5.548 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.688 -5.249 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.118 -4.572 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.175 -6.897 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.785 -7.528 -5.302 1.00 0.00 H new ATOM 527 N CYS A 389 -7.623 -4.046 -2.066 1.00 0.00 N ATOM 528 CA CYS A 389 -8.035 -2.812 -1.409 1.00 0.00 C ATOM 529 C CYS A 389 -6.862 -2.255 -0.609 1.00 0.00 C ATOM 530 O CYS A 389 -6.549 -2.738 0.479 1.00 0.00 O ATOM 531 CB CYS A 389 -9.243 -3.067 -0.504 1.00 0.00 C ATOM 532 SG CYS A 389 -10.198 -1.569 -0.094 1.00 0.00 S ATOM 0 H CYS A 389 -8.175 -4.867 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.332 -2.080 -2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.904 -3.783 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.899 -3.530 0.421 1.00 0.00 H new ATOM 537 N LYS A 390 -6.199 -1.260 -1.183 1.00 0.00 N ATOM 538 CA LYS A 390 -5.027 -0.648 -0.569 1.00 0.00 C ATOM 539 C LYS A 390 -5.377 0.188 0.660 1.00 0.00 C ATOM 540 O LYS A 390 -6.537 0.537 0.884 1.00 0.00 O ATOM 541 CB LYS A 390 -4.296 0.197 -1.604 1.00 0.00 C ATOM 542 CG LYS A 390 -3.798 -0.614 -2.792 1.00 0.00 C ATOM 543 CD LYS A 390 -3.119 0.265 -3.833 1.00 0.00 C ATOM 544 CE LYS A 390 -1.870 0.935 -3.278 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.859 -0.061 -2.827 1.00 0.00 N ATOM 0 H LYS A 390 -6.456 -0.855 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.377 -1.450 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.963 0.981 -1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.449 0.691 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.097 -1.374 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.636 -1.139 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.853 -0.339 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.818 1.027 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.432 1.576 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.144 1.578 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.050 0.417 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.180 -0.505 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.741 -0.791 -3.558 1.00 0.00 H new ATOM 559 N SER A 391 -4.353 0.486 1.461 1.00 0.00 N ATOM 560 CA SER A 391 -4.519 1.264 2.687 1.00 0.00 C ATOM 561 C SER A 391 -5.270 2.572 2.436 1.00 0.00 C ATOM 562 O SER A 391 -6.247 2.862 3.126 1.00 0.00 O ATOM 563 CB SER A 391 -3.156 1.556 3.317 1.00 0.00 C ATOM 564 OG SER A 391 -3.298 2.257 4.541 1.00 0.00 O ATOM 0 H SER A 391 -3.392 0.197 1.279 1.00 0.00 H new ATOM 0 HA SER A 391 -5.117 0.666 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.624 0.620 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.551 2.143 2.626 1.00 0.00 H new ATOM 0 HG SER A 391 -2.433 2.290 5.001 1.00 0.00 H new ATOM 570 N PRO A 392 -4.844 3.387 1.443 1.00 0.00 N ATOM 571 CA PRO A 392 -5.511 4.650 1.128 1.00 0.00 C ATOM 572 C PRO A 392 -7.005 4.462 0.940 1.00 0.00 C ATOM 573 O PRO A 392 -7.809 5.330 1.285 1.00 0.00 O ATOM 574 CB PRO A 392 -4.863 5.073 -0.198 1.00 0.00 C ATOM 575 CG PRO A 392 -4.148 3.868 -0.692 1.00 0.00 C ATOM 576 CD PRO A 392 -3.706 3.163 0.540 1.00 0.00 C ATOM 0 HA PRO A 392 -5.401 5.385 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.615 5.404 -0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.175 5.905 -0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.802 3.239 -1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.299 4.140 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.529 2.102 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.781 3.579 0.939 1.00 0.00 H new ATOM 584 N CYS A 393 -7.362 3.318 0.375 1.00 0.00 N ATOM 585 CA CYS A 393 -8.753 2.986 0.115 1.00 0.00 C ATOM 586 C CYS A 393 -9.518 2.752 1.412 1.00 0.00 C ATOM 587 O CYS A 393 -9.101 3.186 2.484 1.00 0.00 O ATOM 588 CB CYS A 393 -8.821 1.733 -0.756 1.00 0.00 C ATOM 589 SG CYS A 393 -7.803 1.822 -2.261 1.00 0.00 S ATOM 0 H CYS A 393 -6.699 2.598 0.086 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.216 3.826 -0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.503 0.874 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.858 1.557 -1.041 1.00 0.00 H new ATOM 594 N LYS A 394 -10.636 2.048 1.295 1.00 0.00 N ATOM 595 CA LYS A 394 -11.475 1.725 2.442 1.00 0.00 C ATOM 596 C LYS A 394 -12.434 0.602 2.082 1.00 0.00 C ATOM 597 O LYS A 394 -13.309 0.764 1.231 1.00 0.00 O ATOM 598 CB LYS A 394 -12.254 2.960 2.905 1.00 0.00 C ATOM 599 CG LYS A 394 -13.152 2.700 4.105 1.00 0.00 C ATOM 600 CD LYS A 394 -13.904 3.951 4.528 1.00 0.00 C ATOM 601 CE LYS A 394 -12.954 5.041 4.989 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.188 4.635 6.199 1.00 0.00 N ATOM 0 H LYS A 394 -10.986 1.686 0.408 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.835 1.397 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.548 3.752 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.863 3.326 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.865 1.912 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.550 2.339 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.502 4.317 3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.597 3.706 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.260 5.282 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.519 5.948 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.226 5.397 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.604 3.770 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.198 4.454 5.938 1.00 0.00 H new ATOM 616 N TRP A 395 -12.251 -0.543 2.726 1.00 0.00 N ATOM 617 CA TRP A 395 -13.089 -1.702 2.466 1.00 0.00 C ATOM 618 C TRP A 395 -14.489 -1.507 3.037 1.00 0.00 C ATOM 619 O TRP A 395 -14.650 -1.066 4.175 1.00 0.00 O ATOM 620 CB TRP A 395 -12.450 -2.959 3.059 1.00 0.00 C ATOM 621 CG TRP A 395 -13.155 -4.222 2.669 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.684 -5.157 3.511 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.396 -4.695 1.338 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.247 -6.178 2.787 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.081 -5.920 1.451 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.103 -4.202 0.061 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.475 -6.657 0.339 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.495 -4.935 -1.043 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.175 -6.151 -0.897 1.00 0.00 C ATOM 0 H TRP A 395 -11.530 -0.692 3.432 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.176 -1.821 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.411 -3.017 2.736 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.442 -2.876 4.146 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.663 -5.101 4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.713 -6.996 3.179 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.580 -3.265 -0.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.999 -7.595 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.274 -4.565 -2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.469 -6.701 -1.779 1.00 0.00 H new ATOM 640 N HIS A 396 -15.499 -1.842 2.240 1.00 0.00 N ATOM 641 CA HIS A 396 -16.885 -1.708 2.670 1.00 0.00 C ATOM 642 C HIS A 396 -17.593 -3.057 2.671 1.00 0.00 C ATOM 643 O HIS A 396 -17.753 -3.689 1.624 1.00 0.00 O ATOM 644 CB HIS A 396 -17.630 -0.725 1.765 1.00 0.00 C ATOM 645 CG HIS A 396 -17.152 0.685 1.900 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.241 1.398 3.076 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.573 1.516 1.001 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.740 2.607 2.896 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.326 2.704 1.646 1.00 0.00 N ATOM 0 H HIS A 396 -15.383 -2.207 1.295 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.884 -1.323 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.518 -1.041 0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.694 -0.764 1.997 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.348 1.288 -0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.679 3.384 3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.893 3.527 1.227 1.00 0.00 H new ATOM 658 N ASN A 397 -18.019 -3.484 3.857 1.00 0.00 N ATOM 659 CA ASN A 397 -18.718 -4.752 4.018 1.00 0.00 C ATOM 660 C ASN A 397 -20.210 -4.589 3.746 1.00 0.00 C ATOM 661 O ASN A 397 -20.802 -3.564 4.086 1.00 0.00 O ATOM 662 CB ASN A 397 -18.503 -5.305 5.430 1.00 0.00 C ATOM 663 CG ASN A 397 -19.014 -4.366 6.506 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.550 -3.232 6.629 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.977 -4.835 7.291 1.00 0.00 N ATOM 0 H ASN A 397 -17.890 -2.965 4.725 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.309 -5.457 3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.009 -6.266 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.440 -5.488 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.362 -4.249 8.032 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.332 -5.781 7.153 1.00 0.00 H new ATOM 672 N ASP A 398 -20.809 -5.605 3.132 1.00 0.00 N ATOM 673 CA ASP A 398 -22.233 -5.585 2.809 1.00 0.00 C ATOM 674 C ASP A 398 -22.563 -4.428 1.867 1.00 0.00 C ATOM 675 O ASP A 398 -23.657 -3.865 1.912 1.00 0.00 O ATOM 676 CB ASP A 398 -23.069 -5.482 4.089 1.00 0.00 C ATOM 677 CG ASP A 398 -24.556 -5.624 3.826 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.970 -6.684 3.313 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.307 -4.674 4.135 1.00 0.00 O ATOM 0 H ASP A 398 -20.327 -6.458 2.846 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.479 -6.518 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.752 -6.255 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.878 -4.521 4.567 1.00 0.00 H new ATOM 684 N ALA A 399 -21.612 -4.089 1.002 1.00 0.00 N ATOM 685 CA ALA A 399 -21.800 -3.014 0.036 1.00 0.00 C ATOM 686 C ALA A 399 -22.531 -3.532 -1.195 1.00 0.00 C ATOM 687 O ALA A 399 -22.127 -3.267 -2.328 1.00 0.00 O ATOM 688 CB ALA A 399 -20.461 -2.423 -0.359 1.00 0.00 C ATOM 0 H ALA A 399 -20.701 -4.545 0.951 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.404 -2.233 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.616 -1.621 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.964 -2.024 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.839 -3.198 -0.806 1.00 0.00 H new ATOM 694 N GLU A 400 -23.592 -4.299 -0.950 1.00 0.00 N ATOM 695 CA GLU A 400 -24.392 -4.906 -2.012 1.00 0.00 C ATOM 696 C GLU A 400 -23.660 -6.105 -2.599 1.00 0.00 C ATOM 697 O GLU A 400 -24.279 -7.049 -3.089 1.00 0.00 O ATOM 698 CB GLU A 400 -24.719 -3.892 -3.114 1.00 0.00 C ATOM 699 CG GLU A 400 -25.512 -2.692 -2.623 1.00 0.00 C ATOM 700 CD GLU A 400 -25.810 -1.698 -3.729 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.851 -1.172 -4.329 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.005 -1.449 -3.995 1.00 0.00 O ATOM 0 H GLU A 400 -23.921 -4.517 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.333 -5.240 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.789 -3.543 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.284 -4.393 -3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.450 -3.035 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.955 -2.192 -1.831 1.00 0.00 H new ATOM 709 N ASN A 401 -22.332 -6.055 -2.534 1.00 0.00 N ATOM 710 CA ASN A 401 -21.487 -7.123 -3.043 1.00 0.00 C ATOM 711 C ASN A 401 -20.026 -6.813 -2.742 1.00 0.00 C ATOM 712 O ASN A 401 -19.129 -7.180 -3.503 1.00 0.00 O ATOM 713 CB ASN A 401 -21.699 -7.280 -4.547 1.00 0.00 C ATOM 714 CG ASN A 401 -21.291 -6.043 -5.321 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.105 -5.745 -5.465 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.278 -5.300 -5.803 1.00 0.00 N ATOM 0 H ASN A 401 -21.816 -5.274 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.755 -8.059 -2.553 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.125 -8.135 -4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.749 -7.497 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.068 -4.444 -6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.247 -5.585 -5.660 1.00 0.00 H new ATOM 723 N LYS A 402 -19.806 -6.123 -1.622 1.00 0.00 N ATOM 724 CA LYS A 402 -18.465 -5.734 -1.190 1.00 0.00 C ATOM 725 C LYS A 402 -17.853 -4.740 -2.173 1.00 0.00 C ATOM 726 O LYS A 402 -17.805 -4.997 -3.377 1.00 0.00 O ATOM 727 CB LYS A 402 -17.565 -6.964 -1.056 1.00 0.00 C ATOM 728 CG LYS A 402 -18.075 -7.990 -0.055 1.00 0.00 C ATOM 729 CD LYS A 402 -18.146 -7.416 1.352 1.00 0.00 C ATOM 730 CE LYS A 402 -18.702 -8.430 2.341 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.872 -9.664 2.398 1.00 0.00 N ATOM 0 H LYS A 402 -20.549 -5.820 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.547 -5.255 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.467 -7.439 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.568 -6.642 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.064 -8.334 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.419 -8.861 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.151 -7.104 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.774 -6.525 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.752 -7.980 3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.722 -8.691 2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.159 -10.238 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.007 -10.214 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.869 -9.404 2.492 1.00 0.00 H new ATOM 745 N LYS A 403 -17.402 -3.593 -1.664 1.00 0.00 N ATOM 746 CA LYS A 403 -16.819 -2.565 -2.522 1.00 0.00 C ATOM 747 C LYS A 403 -15.689 -1.801 -1.835 1.00 0.00 C ATOM 748 O LYS A 403 -15.822 -1.364 -0.691 1.00 0.00 O ATOM 749 CB LYS A 403 -17.904 -1.579 -2.951 1.00 0.00 C ATOM 750 CG LYS A 403 -19.016 -2.212 -3.770 1.00 0.00 C ATOM 751 CD LYS A 403 -18.538 -2.609 -5.160 1.00 0.00 C ATOM 752 CE LYS A 403 -18.097 -1.398 -5.968 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.216 -0.443 -6.194 1.00 0.00 N ATOM 0 H LYS A 403 -17.429 -3.355 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.395 -3.071 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.336 -1.119 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.446 -0.779 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.394 -3.092 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.847 -1.512 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.709 -3.311 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.340 -3.126 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.286 -0.890 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.701 -1.727 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.942 0.247 -6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.058 -0.964 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.431 0.056 -5.307 1.00 0.00 H new ATOM 767 N CYS A 404 -14.590 -1.619 -2.564 1.00 0.00 N ATOM 768 CA CYS A 404 -13.435 -0.877 -2.062 1.00 0.00 C ATOM 769 C CYS A 404 -13.453 0.541 -2.633 1.00 0.00 C ATOM 770 O CYS A 404 -13.660 0.723 -3.834 1.00 0.00 O ATOM 771 CB CYS A 404 -12.135 -1.590 -2.454 1.00 0.00 C ATOM 772 SG CYS A 404 -10.616 -0.742 -1.907 1.00 0.00 S ATOM 0 H CYS A 404 -14.475 -1.978 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.486 -0.827 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.146 -2.596 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.106 -1.697 -3.538 1.00 0.00 H new ATOM 777 N THR A 405 -13.257 1.544 -1.780 1.00 0.00 N ATOM 778 CA THR A 405 -13.277 2.934 -2.233 1.00 0.00 C ATOM 779 C THR A 405 -12.233 3.787 -1.516 1.00 0.00 C ATOM 780 O THR A 405 -12.000 3.632 -0.318 1.00 0.00 O ATOM 781 CB THR A 405 -14.663 3.571 -2.028 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.995 3.585 -0.634 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.732 2.810 -2.800 1.00 0.00 C ATOM 0 H THR A 405 -13.084 1.424 -0.782 1.00 0.00 H new ATOM 0 HA THR A 405 -13.040 2.909 -3.297 1.00 0.00 H new ATOM 0 HB THR A 405 -14.625 4.593 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.286 4.484 -0.376 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.702 3.280 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.494 2.826 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.767 1.778 -2.452 1.00 0.00 H new ATOM 791 N LEU A 406 -11.614 4.689 -2.272 1.00 0.00 N ATOM 792 CA LEU A 406 -10.592 5.585 -1.744 1.00 0.00 C ATOM 793 C LEU A 406 -11.200 6.607 -0.795 1.00 0.00 C ATOM 794 O LEU A 406 -12.307 7.097 -1.015 1.00 0.00 O ATOM 795 CB LEU A 406 -9.883 6.296 -2.901 1.00 0.00 C ATOM 796 CG LEU A 406 -8.592 7.042 -2.548 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.885 8.365 -1.861 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.696 6.175 -1.681 1.00 0.00 C ATOM 0 H LEU A 406 -11.807 4.819 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.868 4.993 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.652 5.556 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.580 7.008 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.069 7.262 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.947 8.868 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.478 8.996 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.440 8.182 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.784 6.721 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.219 5.918 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.441 5.262 -2.220 1.00 0.00 H new ATOM 810 N ASP A 407 -10.456 6.933 0.253 1.00 0.00 N ATOM 811 CA ASP A 407 -10.904 7.913 1.234 1.00 0.00 C ATOM 812 C ASP A 407 -9.811 8.950 1.473 1.00 0.00 C ATOM 813 O ASP A 407 -8.671 8.599 1.769 1.00 0.00 O ATOM 814 CB ASP A 407 -11.276 7.221 2.547 1.00 0.00 C ATOM 815 CG ASP A 407 -11.820 8.188 3.580 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.837 8.853 3.293 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.232 8.278 4.678 1.00 0.00 O ATOM 0 H ASP A 407 -9.538 6.533 0.446 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.789 8.418 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.020 6.450 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.397 6.719 2.951 1.00 0.00 H new ATOM 822 N LYS A 408 -10.160 10.224 1.323 1.00 0.00 N ATOM 823 CA LYS A 408 -9.197 11.305 1.507 1.00 0.00 C ATOM 824 C LYS A 408 -8.736 11.402 2.957 1.00 0.00 C ATOM 825 O LYS A 408 -7.541 11.497 3.225 1.00 0.00 O ATOM 826 CB LYS A 408 -9.792 12.639 1.062 1.00 0.00 C ATOM 827 CG LYS A 408 -10.152 12.679 -0.415 1.00 0.00 C ATOM 828 CD LYS A 408 -10.709 14.034 -0.819 1.00 0.00 C ATOM 829 CE LYS A 408 -11.008 14.092 -2.308 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.977 13.040 -2.720 1.00 0.00 N ATOM 0 H LYS A 408 -11.100 10.533 1.075 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.330 11.077 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.686 12.844 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.079 13.435 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.268 12.456 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.887 11.904 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.620 14.237 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.994 14.815 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.409 15.074 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.081 13.972 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.323 13.243 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.507 12.112 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.779 13.028 -2.058 1.00 0.00 H new ATOM 844 N GLU A 409 -9.685 11.378 3.889 1.00 0.00 N ATOM 845 CA GLU A 409 -9.362 11.466 5.308 1.00 0.00 C ATOM 846 C GLU A 409 -8.364 10.382 5.700 1.00 0.00 C ATOM 847 O GLU A 409 -7.370 10.650 6.379 1.00 0.00 O ATOM 848 CB GLU A 409 -10.633 11.340 6.149 1.00 0.00 C ATOM 849 CG GLU A 409 -10.381 11.428 7.644 1.00 0.00 C ATOM 850 CD GLU A 409 -11.650 11.301 8.466 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.734 11.141 7.867 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.559 11.360 9.711 1.00 0.00 O ATOM 0 H GLU A 409 -10.682 11.298 3.687 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.908 12.439 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.330 12.126 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -11.115 10.388 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.685 10.642 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.901 12.380 7.871 1.00 0.00 H new ATOM 859 N GLU A 410 -8.630 9.158 5.255 1.00 0.00 N ATOM 860 CA GLU A 410 -7.752 8.033 5.548 1.00 0.00 C ATOM 861 C GLU A 410 -6.419 8.206 4.834 1.00 0.00 C ATOM 862 O GLU A 410 -5.359 8.007 5.427 1.00 0.00 O ATOM 863 CB GLU A 410 -8.416 6.717 5.137 1.00 0.00 C ATOM 864 CG GLU A 410 -7.585 5.486 5.461 1.00 0.00 C ATOM 865 CD GLU A 410 -8.335 4.192 5.205 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.521 4.260 4.817 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.740 3.112 5.401 1.00 0.00 O ATOM 0 H GLU A 410 -9.446 8.921 4.691 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.568 8.003 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.381 6.635 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.614 6.739 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.675 5.499 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.279 5.524 6.506 1.00 0.00 H new ATOM 874 N ALA A 411 -6.479 8.587 3.561 1.00 0.00 N ATOM 875 CA ALA A 411 -5.274 8.805 2.767 1.00 0.00 C ATOM 876 C ALA A 411 -4.364 9.829 3.434 1.00 0.00 C ATOM 877 O ALA A 411 -3.140 9.703 3.409 1.00 0.00 O ATOM 878 CB ALA A 411 -5.646 9.261 1.364 1.00 0.00 C ATOM 0 H ALA A 411 -7.350 8.751 3.057 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.732 7.862 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.739 9.421 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.257 8.497 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.209 10.193 1.421 1.00 0.00 H new ATOM 884 N LYS A 412 -4.969 10.844 4.038 1.00 0.00 N ATOM 885 CA LYS A 412 -4.216 11.884 4.723 1.00 0.00 C ATOM 886 C LYS A 412 -3.464 11.295 5.909 1.00 0.00 C ATOM 887 O LYS A 412 -2.297 11.612 6.141 1.00 0.00 O ATOM 888 CB LYS A 412 -5.154 12.995 5.195 1.00 0.00 C ATOM 889 CG LYS A 412 -5.806 13.768 4.059 1.00 0.00 C ATOM 890 CD LYS A 412 -6.869 14.729 4.571 1.00 0.00 C ATOM 891 CE LYS A 412 -6.276 15.789 5.487 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.313 16.737 5.985 1.00 0.00 N ATOM 0 H LYS A 412 -5.981 10.968 4.067 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.495 12.308 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.933 12.559 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.594 13.690 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.044 14.325 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.256 13.069 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.360 15.212 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.635 14.171 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.789 15.306 6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.506 16.343 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.868 17.443 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.760 17.217 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.035 16.213 6.519 1.00 0.00 H new ATOM 906 N LYS A 413 -4.145 10.431 6.655 1.00 0.00 N ATOM 907 CA LYS A 413 -3.552 9.787 7.821 1.00 0.00 C ATOM 908 C LYS A 413 -2.480 8.778 7.410 1.00 0.00 C ATOM 909 O LYS A 413 -1.458 8.639 8.083 1.00 0.00 O ATOM 910 CB LYS A 413 -4.633 9.090 8.652 1.00 0.00 C ATOM 911 CG LYS A 413 -5.711 10.036 9.160 1.00 0.00 C ATOM 912 CD LYS A 413 -6.768 9.301 9.975 1.00 0.00 C ATOM 913 CE LYS A 413 -6.182 8.693 11.239 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.215 7.990 12.050 1.00 0.00 N ATOM 0 H LYS A 413 -5.111 10.160 6.472 1.00 0.00 H new ATOM 0 HA LYS A 413 -3.079 10.561 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.099 8.311 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.164 8.596 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.254 10.813 9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.185 10.535 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -7.568 9.992 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -7.215 8.515 9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.392 7.992 10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -5.722 9.478 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.774 7.590 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.957 8.664 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -7.637 7.224 11.487 1.00 0.00 H new ATOM 928 N VAL A 414 -2.721 8.070 6.308 1.00 0.00 N ATOM 929 CA VAL A 414 -1.778 7.070 5.822 1.00 0.00 C ATOM 930 C VAL A 414 -0.477 7.724 5.365 1.00 0.00 C ATOM 931 O VAL A 414 0.613 7.222 5.643 1.00 0.00 O ATOM 932 CB VAL A 414 -2.372 6.222 4.679 1.00 0.00 C ATOM 933 CG1 VAL A 414 -2.309 6.964 3.367 1.00 0.00 C ATOM 934 CG2 VAL A 414 -1.657 4.883 4.579 1.00 0.00 C ATOM 0 H VAL A 414 -3.560 8.171 5.737 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.566 6.403 6.658 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.421 6.033 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.734 6.344 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.877 7.891 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -1.271 7.194 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.090 4.299 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.598 5.050 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.770 4.339 5.517 1.00 0.00 H new ATOM 944 N ALA A 415 -0.598 8.850 4.669 1.00 0.00 N ATOM 945 CA ALA A 415 0.567 9.576 4.183 1.00 0.00 C ATOM 946 C ALA A 415 1.314 10.219 5.340 1.00 0.00 C ATOM 947 O ALA A 415 2.539 10.130 5.432 1.00 0.00 O ATOM 948 CB ALA A 415 0.150 10.635 3.175 1.00 0.00 C ATOM 0 H ALA A 415 -1.492 9.279 4.430 1.00 0.00 H new ATOM 0 HA ALA A 415 1.232 8.867 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.032 11.168 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.348 10.158 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.534 11.339 3.649 1.00 0.00 H new ATOM 954 N ASP A 416 0.565 10.868 6.225 1.00 0.00 N ATOM 955 CA ASP A 416 1.151 11.527 7.385 1.00 0.00 C ATOM 956 C ASP A 416 1.339 10.538 8.531 1.00 0.00 C ATOM 957 O ASP A 416 1.141 10.877 9.698 1.00 0.00 O ATOM 958 CB ASP A 416 0.269 12.690 7.836 1.00 0.00 C ATOM 959 CG ASP A 416 0.142 13.768 6.775 1.00 0.00 C ATOM 960 OD1 ASP A 416 -0.341 13.456 5.666 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.527 14.922 7.054 1.00 0.00 O ATOM 0 H ASP A 416 -0.450 10.951 6.161 1.00 0.00 H new ATOM 0 HA ASP A 416 2.129 11.915 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.723 12.314 8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.684 13.126 8.745 1.00 0.00 H new ATOM 966 N GLU A 417 1.719 9.312 8.188 1.00 0.00 N ATOM 967 CA GLU A 417 1.932 8.266 9.182 1.00 0.00 C ATOM 968 C GLU A 417 3.204 8.517 9.988 1.00 0.00 C ATOM 969 O GLU A 417 3.607 7.681 10.797 1.00 0.00 O ATOM 970 CB GLU A 417 2.011 6.898 8.501 1.00 0.00 C ATOM 971 CG GLU A 417 3.138 6.787 7.487 1.00 0.00 C ATOM 972 CD GLU A 417 3.195 5.423 6.827 1.00 0.00 C ATOM 973 OE1 GLU A 417 2.201 5.037 6.175 1.00 0.00 O ATOM 974 OE2 GLU A 417 4.232 4.740 6.962 1.00 0.00 O ATOM 0 H GLU A 417 1.886 9.017 7.226 1.00 0.00 H new ATOM 0 HA GLU A 417 1.085 8.280 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.142 6.129 9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.063 6.694 8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.010 7.552 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 417 4.088 6.987 7.982 1.00 0.00 H new ATOM 981 N THR A 418 3.830 9.671 9.761 1.00 0.00 N ATOM 982 CA THR A 418 5.056 10.039 10.465 1.00 0.00 C ATOM 983 C THR A 418 6.077 8.905 10.432 1.00 0.00 C ATOM 984 O THR A 418 6.626 8.517 11.465 1.00 0.00 O ATOM 985 CB THR A 418 4.777 10.432 11.929 1.00 0.00 C ATOM 986 OG1 THR A 418 4.209 9.327 12.641 1.00 0.00 O ATOM 987 CG2 THR A 418 3.830 11.622 11.998 1.00 0.00 C ATOM 0 H THR A 418 3.506 10.369 9.092 1.00 0.00 H new ATOM 0 HA THR A 418 5.467 10.904 9.943 1.00 0.00 H new ATOM 0 HB THR A 418 5.725 10.709 12.390 1.00 0.00 H new ATOM 0 HG1 THR A 418 4.279 8.516 12.096 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.647 11.882 13.041 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.277 12.473 11.485 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.886 11.364 11.518 1.00 0.00 H new ATOM 995 N ALA A 419 6.326 8.375 9.238 1.00 0.00 N ATOM 996 CA ALA A 419 7.278 7.283 9.070 1.00 0.00 C ATOM 997 C ALA A 419 7.710 7.148 7.614 1.00 0.00 C ATOM 998 O ALA A 419 8.901 7.037 7.319 1.00 0.00 O ATOM 999 CB ALA A 419 6.671 5.978 9.564 1.00 0.00 C ATOM 0 H ALA A 419 5.882 8.684 8.373 1.00 0.00 H new ATOM 0 HA ALA A 419 8.163 7.510 9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.391 5.170 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.417 6.071 10.620 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.769 5.757 8.993 1.00 0.00 H new ATOM 1005 N LYS A 420 6.736 7.160 6.706 1.00 0.00 N ATOM 1006 CA LYS A 420 7.015 7.042 5.278 1.00 0.00 C ATOM 1007 C LYS A 420 7.792 5.764 4.975 1.00 0.00 C ATOM 1008 O LYS A 420 8.809 5.793 4.280 1.00 0.00 O ATOM 1009 CB LYS A 420 7.796 8.262 4.783 1.00 0.00 C ATOM 1010 CG LYS A 420 7.048 9.575 4.957 1.00 0.00 C ATOM 1011 CD LYS A 420 7.853 10.755 4.433 1.00 0.00 C ATOM 1012 CE LYS A 420 9.149 10.941 5.208 1.00 0.00 C ATOM 1013 NZ LYS A 420 9.940 12.097 4.700 1.00 0.00 N ATOM 0 H LYS A 420 5.746 7.250 6.935 1.00 0.00 H new ATOM 0 HA LYS A 420 6.061 6.996 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 420 8.743 8.319 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 420 8.035 8.127 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.094 9.523 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.822 9.728 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 420 8.079 10.601 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 420 7.254 11.663 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 420 8.922 11.092 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 420 9.748 10.033 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 10.815 12.189 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 10.179 11.942 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 9.379 12.968 4.791 1.00 0.00 H new ATOM 1027 N ASP A 421 7.306 4.645 5.503 1.00 0.00 N ATOM 1028 CA ASP A 421 7.951 3.353 5.292 1.00 0.00 C ATOM 1029 C ASP A 421 7.039 2.218 5.774 1.00 0.00 C ATOM 1030 O ASP A 421 5.818 2.310 5.642 1.00 0.00 O ATOM 1031 CB ASP A 421 9.311 3.332 6.007 1.00 0.00 C ATOM 1032 CG ASP A 421 9.191 3.505 7.512 1.00 0.00 C ATOM 1033 OD1 ASP A 421 8.557 2.650 8.164 1.00 0.00 O ATOM 1034 OD2 ASP A 421 9.736 4.498 8.038 1.00 0.00 O ATOM 0 H ASP A 421 6.466 4.607 6.081 1.00 0.00 H new ATOM 0 HA ASP A 421 8.126 3.201 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 421 9.813 2.388 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 421 9.940 4.126 5.604 1.00 0.00 H new ATOM 1039 N GLY A 422 7.618 1.153 6.329 1.00 0.00 N ATOM 1040 CA GLY A 422 6.815 0.043 6.807 1.00 0.00 C ATOM 1041 C GLY A 422 7.643 -0.997 7.537 1.00 0.00 C ATOM 1042 O GLY A 422 7.284 -1.420 8.637 1.00 0.00 O ATOM 0 H GLY A 422 8.624 1.042 6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 422 6.040 0.420 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 422 6.309 -0.426 5.963 1.00 0.00 H new ATOM 1046 N LYS A 423 8.753 -1.402 6.924 1.00 0.00 N ATOM 1047 CA LYS A 423 9.648 -2.397 7.514 1.00 0.00 C ATOM 1048 C LYS A 423 8.964 -3.755 7.654 1.00 0.00 C ATOM 1049 O LYS A 423 7.796 -3.842 8.035 1.00 0.00 O ATOM 1050 CB LYS A 423 10.148 -1.921 8.880 1.00 0.00 C ATOM 1051 CG LYS A 423 10.936 -0.623 8.822 1.00 0.00 C ATOM 1052 CD LYS A 423 11.400 -0.184 10.203 1.00 0.00 C ATOM 1053 CE LYS A 423 12.339 -1.202 10.832 1.00 0.00 C ATOM 1054 NZ LYS A 423 12.798 -0.774 12.183 1.00 0.00 N ATOM 0 H LYS A 423 9.056 -1.055 6.014 1.00 0.00 H new ATOM 0 HA LYS A 423 10.497 -2.515 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 423 9.294 -1.788 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 423 10.775 -2.697 9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 423 11.801 -0.751 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 423 10.318 0.159 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 423 11.905 0.779 10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 423 10.534 -0.040 10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 423 11.833 -2.164 10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 423 13.203 -1.347 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 13.436 -1.495 12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 13.304 0.132 12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 11.975 -0.660 12.809 1.00 0.00 H new ATOM 1068 N THR A 424 9.705 -4.815 7.346 1.00 0.00 N ATOM 1069 CA THR A 424 9.182 -6.173 7.438 1.00 0.00 C ATOM 1070 C THR A 424 8.748 -6.494 8.865 1.00 0.00 C ATOM 1071 O THR A 424 9.407 -6.098 9.828 1.00 0.00 O ATOM 1072 CB THR A 424 10.231 -7.207 6.983 1.00 0.00 C ATOM 1073 OG1 THR A 424 10.636 -6.933 5.636 1.00 0.00 O ATOM 1074 CG2 THR A 424 9.675 -8.622 7.068 1.00 0.00 C ATOM 0 H THR A 424 10.673 -4.759 7.029 1.00 0.00 H new ATOM 0 HA THR A 424 8.317 -6.231 6.777 1.00 0.00 H new ATOM 0 HB THR A 424 11.092 -7.131 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 424 11.304 -7.593 5.355 1.00 0.00 H new ATOM 0 HG21 THR A 424 10.435 -9.332 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 424 9.393 -8.841 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 424 8.799 -8.708 6.426 1.00 0.00 H new ATOM 1082 N GLY A 425 7.634 -7.208 8.996 1.00 0.00 N ATOM 1083 CA GLY A 425 7.132 -7.565 10.311 1.00 0.00 C ATOM 1084 C GLY A 425 6.032 -8.606 10.252 1.00 0.00 C ATOM 1085 O GLY A 425 6.166 -9.620 9.568 1.00 0.00 O ATOM 0 H GLY A 425 7.070 -7.546 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 425 7.954 -7.944 10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 425 6.755 -6.671 10.807 1.00 0.00 H new ATOM 1089 N ASN A 426 4.945 -8.356 10.976 1.00 0.00 N ATOM 1090 CA ASN A 426 3.817 -9.281 11.010 1.00 0.00 C ATOM 1091 C ASN A 426 3.247 -9.502 9.612 1.00 0.00 C ATOM 1092 O ASN A 426 3.017 -8.550 8.865 1.00 0.00 O ATOM 1093 CB ASN A 426 2.724 -8.750 11.941 1.00 0.00 C ATOM 1094 CG ASN A 426 3.191 -8.601 13.380 1.00 0.00 C ATOM 1095 OD1 ASN A 426 4.439 -8.973 13.652 1.00 0.00 O flip ATOM 1096 ND2 ASN A 426 2.434 -8.155 14.243 1.00 0.00 N flip ATOM 0 H ASN A 426 4.821 -7.520 11.547 1.00 0.00 H new ATOM 0 HA ASN A 426 4.177 -10.237 11.389 1.00 0.00 H new ATOM 0 HB2 ASN A 426 2.380 -7.783 11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 426 1.869 -9.425 11.910 1.00 0.00 H new ATOM 0 HD21 ASN A 426 1.483 -7.880 13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 426 2.758 -8.060 15.206 1.00 0.00 H new ATOM 1103 N THR A 427 3.020 -10.767 9.267 1.00 0.00 N ATOM 1104 CA THR A 427 2.476 -11.119 7.961 1.00 0.00 C ATOM 1105 C THR A 427 1.050 -10.600 7.804 1.00 0.00 C ATOM 1106 O THR A 427 0.227 -10.741 8.709 1.00 0.00 O ATOM 1107 CB THR A 427 2.482 -12.646 7.745 1.00 0.00 C ATOM 1108 OG1 THR A 427 3.818 -13.150 7.852 1.00 0.00 O ATOM 1109 CG2 THR A 427 1.909 -13.006 6.381 1.00 0.00 C ATOM 0 H THR A 427 3.205 -11.565 9.875 1.00 0.00 H new ATOM 0 HA THR A 427 3.115 -10.651 7.213 1.00 0.00 H new ATOM 0 HB THR A 427 1.857 -13.100 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 427 3.813 -14.120 7.715 1.00 0.00 H new ATOM 0 HG21 THR A 427 1.925 -14.088 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 427 0.882 -12.647 6.312 1.00 0.00 H new ATOM 0 HG23 THR A 427 2.510 -12.540 5.600 1.00 0.00 H new ATOM 1117 N ASN A 428 0.766 -10.006 6.648 1.00 0.00 N ATOM 1118 CA ASN A 428 -0.554 -9.470 6.361 1.00 0.00 C ATOM 1119 C ASN A 428 -0.793 -9.403 4.852 1.00 0.00 C ATOM 1120 O ASN A 428 -0.405 -10.312 4.116 1.00 0.00 O ATOM 1121 CB ASN A 428 -0.715 -8.077 6.984 1.00 0.00 C ATOM 1122 CG ASN A 428 -0.659 -8.100 8.498 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -1.483 -8.738 9.152 1.00 0.00 O ATOM 1124 ND2 ASN A 428 0.316 -7.398 9.063 1.00 0.00 N ATOM 0 H ASN A 428 1.440 -9.885 5.892 1.00 0.00 H new ATOM 0 HA ASN A 428 -1.295 -10.138 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 428 0.070 -7.422 6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -1.666 -7.650 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 428 0.404 -7.373 10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 428 0.977 -6.884 8.481 1.00 0.00 H new ATOM 1131 N THR A 429 -1.433 -8.329 4.395 1.00 0.00 N ATOM 1132 CA THR A 429 -1.719 -8.155 2.976 1.00 0.00 C ATOM 1133 C THR A 429 -0.432 -8.048 2.163 1.00 0.00 C ATOM 1134 O THR A 429 0.504 -7.354 2.559 1.00 0.00 O ATOM 1135 CB THR A 429 -2.576 -6.902 2.727 1.00 0.00 C ATOM 1136 OG1 THR A 429 -1.875 -5.733 3.166 1.00 0.00 O ATOM 1137 CG2 THR A 429 -3.909 -7.004 3.455 1.00 0.00 C ATOM 0 H THR A 429 -1.763 -7.567 4.988 1.00 0.00 H new ATOM 0 HA THR A 429 -2.275 -9.036 2.655 1.00 0.00 H new ATOM 0 HB THR A 429 -2.769 -6.828 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 429 -2.427 -4.940 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 429 -4.498 -6.107 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 429 -4.453 -7.878 3.097 1.00 0.00 H new ATOM 0 HG23 THR A 429 -3.732 -7.101 4.526 1.00 0.00 H new ATOM 1145 N THR A 430 -0.400 -8.743 1.027 1.00 0.00 N ATOM 1146 CA THR A 430 0.764 -8.738 0.144 1.00 0.00 C ATOM 1147 C THR A 430 2.050 -9.023 0.916 1.00 0.00 C ATOM 1148 O THR A 430 3.090 -8.416 0.657 1.00 0.00 O ATOM 1149 CB THR A 430 0.904 -7.396 -0.604 1.00 0.00 C ATOM 1150 OG1 THR A 430 1.116 -6.328 0.327 1.00 0.00 O ATOM 1151 CG2 THR A 430 -0.339 -7.109 -1.434 1.00 0.00 C ATOM 0 H THR A 430 -1.173 -9.320 0.695 1.00 0.00 H new ATOM 0 HA THR A 430 0.605 -9.532 -0.586 1.00 0.00 H new ATOM 0 HB THR A 430 1.763 -7.469 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 430 1.295 -6.700 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 430 -0.218 -6.158 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 430 -0.481 -7.905 -2.165 1.00 0.00 H new ATOM 0 HG23 THR A 430 -1.209 -7.058 -0.780 1.00 0.00 H new ATOM 1159 N GLY A 431 1.969 -9.954 1.863 1.00 0.00 N ATOM 1160 CA GLY A 431 3.130 -10.310 2.658 1.00 0.00 C ATOM 1161 C GLY A 431 4.139 -11.130 1.877 1.00 0.00 C ATOM 1162 O GLY A 431 5.345 -10.902 1.980 1.00 0.00 O ATOM 0 H GLY A 431 1.119 -10.468 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 431 3.609 -9.401 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.808 -10.874 3.533 1.00 0.00 H new ATOM 1166 N SER A 432 3.643 -12.090 1.102 1.00 0.00 N ATOM 1167 CA SER A 432 4.498 -12.960 0.299 1.00 0.00 C ATOM 1168 C SER A 432 5.048 -12.224 -0.922 1.00 0.00 C ATOM 1169 O SER A 432 4.712 -12.552 -2.060 1.00 0.00 O ATOM 1170 CB SER A 432 3.719 -14.201 -0.145 1.00 0.00 C ATOM 1171 OG SER A 432 4.538 -15.071 -0.908 1.00 0.00 O ATOM 0 H SER A 432 2.646 -12.286 1.013 1.00 0.00 H new ATOM 0 HA SER A 432 5.341 -13.266 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 432 3.339 -14.728 0.730 1.00 0.00 H new ATOM 0 HB3 SER A 432 2.854 -13.899 -0.736 1.00 0.00 H new ATOM 0 HG SER A 432 4.837 -14.610 -1.720 1.00 0.00 H new ATOM 1177 N SER A 433 5.896 -11.229 -0.678 1.00 0.00 N ATOM 1178 CA SER A 433 6.493 -10.448 -1.756 1.00 0.00 C ATOM 1179 C SER A 433 7.744 -9.722 -1.273 1.00 0.00 C ATOM 1180 O SER A 433 7.982 -9.707 -0.047 1.00 0.00 O ATOM 1181 CB SER A 433 5.486 -9.433 -2.300 1.00 0.00 C ATOM 1182 OG SER A 433 4.348 -10.079 -2.844 1.00 0.00 O ATOM 1183 OXT SER A 433 8.476 -9.176 -2.124 1.00 0.00 O ATOM 0 H SER A 433 6.185 -10.945 0.258 1.00 0.00 H new ATOM 0 HA SER A 433 6.774 -11.136 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 433 5.177 -8.759 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 433 5.961 -8.821 -3.067 1.00 0.00 H new ATOM 0 HG SER A 433 4.521 -11.041 -2.916 1.00 0.00 H new TER 1189 SER A 433