USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=30 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 397 ASN :FLIP amide:sc= 0.0331 F(o=-8!,f=0.87) USER MOD Set 1.2: A 402 LYS NZ :NH3+ -169:sc= 0.833 (180deg=0) USER MOD Set 2.1: A 396 HIS : no HD1:sc= -1.86! K(o=-1.6!,f=-4.1) USER MOD Set 2.2: A 405 THR OG1 : rot 147:sc= 0.305 USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.0757 K(o=-0.076,f=-1.6) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot -16:sc= 0.865 USER MOD Single : A 363 GLN :FLIP amide:sc= -0.482 F(o=-2.8!,f=-0.48) USER MOD Single : A 364 LYS NZ :NH3+ -141:sc= -3.16! (180deg=-5.81!) USER MOD Single : A 365 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-2) USER MOD Single : A 366 LYS NZ :NH3+ 164:sc= -0.0711 (180deg=-0.361) USER MOD Single : A 370 SER OG : rot 130:sc= -0.0213 USER MOD Single : A 371 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 372 GLN : amide:sc= -0.866 K(o=-0.87,f=-5.1!) USER MOD Single : A 373 GLN :FLIP amide:sc= -0.101 F(o=-1.1,f=-0.1) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.895 F(o=-3.6!,f=-0.9) USER MOD Single : A 383 LYS NZ :NH3+ 164:sc= -0.0633 (180deg=-0.333) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.018) USER MOD Single : A 390 LYS NZ :NH3+ -166:sc= -0.0397 (180deg=-0.252) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.589 F(o=-4.3!,f=-0.59) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0304 (180deg=-0.243) USER MOD Single : A 408 LYS NZ :NH3+ 160:sc= 0.0122 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ -151:sc= -3.65! (180deg=-5.32!) USER MOD Single : A 413 LYS NZ :NH3+ 166:sc= -0.0509 (180deg=-0.3) USER MOD Single : A 418 THR OG1 : rot -2:sc= 0.714 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 166:sc= -0.0377 (180deg=-0.319) USER MOD Single : A 424 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 426 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.3) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.5!) 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 56:sc= 0.409 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 -2.064 -18.410 -6.169 1.00 0.00 N ATOM 2 CA GLY A 354 -1.675 -19.394 -7.216 1.00 0.00 C ATOM 3 C GLY A 354 -0.520 -18.908 -8.070 1.00 0.00 C ATOM 4 O GLY A 354 0.411 -19.662 -8.350 1.00 0.00 O ATOM 0 HA2 GLY A 354 -1.400 -20.336 -6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 354 -2.534 -19.598 -7.855 1.00 0.00 H new ATOM 10 N SER A 355 -0.583 -17.645 -8.482 1.00 0.00 N ATOM 11 CA SER A 355 0.466 -17.058 -9.309 1.00 0.00 C ATOM 12 C SER A 355 1.812 -17.101 -8.592 1.00 0.00 C ATOM 13 O SER A 355 1.917 -16.718 -7.427 1.00 0.00 O ATOM 14 CB SER A 355 0.113 -15.613 -9.668 1.00 0.00 C ATOM 15 OG SER A 355 -1.113 -15.548 -10.375 1.00 0.00 O ATOM 0 H SER A 355 -1.348 -17.009 -8.257 1.00 0.00 H new ATOM 0 HA SER A 355 0.543 -17.644 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 355 0.044 -15.016 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 355 0.909 -15.181 -10.274 1.00 0.00 H new ATOM 0 HG SER A 355 -1.317 -14.614 -10.591 1.00 0.00 H new ATOM 21 N HIS A 356 2.839 -17.567 -9.297 1.00 0.00 N ATOM 22 CA HIS A 356 4.178 -17.656 -8.726 1.00 0.00 C ATOM 23 C HIS A 356 4.699 -16.273 -8.352 1.00 0.00 C ATOM 24 O HIS A 356 4.608 -15.331 -9.138 1.00 0.00 O ATOM 25 CB HIS A 356 5.136 -18.329 -9.711 1.00 0.00 C ATOM 26 CG HIS A 356 4.766 -19.743 -10.037 1.00 0.00 C ATOM 27 ND1 HIS A 356 3.568 -20.092 -10.622 1.00 0.00 N ATOM 28 CD2 HIS A 356 5.446 -20.900 -9.853 1.00 0.00 C ATOM 29 CE1 HIS A 356 3.526 -21.403 -10.785 1.00 0.00 C ATOM 30 NE2 HIS A 356 4.653 -21.917 -10.327 1.00 0.00 N ATOM 0 H HIS A 356 2.769 -17.888 -10.263 1.00 0.00 H new ATOM 0 HA HIS A 356 4.121 -18.261 -7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 356 5.163 -17.748 -10.633 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.143 -18.313 -9.294 1.00 0.00 H new ATOM 0 HD2 HIS A 356 6.428 -21.004 -9.415 1.00 0.00 H new ATOM 0 HE1 HIS A 356 2.709 -21.960 -11.219 1.00 0.00 H new ATOM 0 HE2 HIS A 356 4.895 -22.908 -10.325 1.00 0.00 H new ATOM 39 N MET A 357 5.240 -16.160 -7.144 1.00 0.00 N ATOM 40 CA MET A 357 5.773 -14.891 -6.659 1.00 0.00 C ATOM 41 C MET A 357 6.910 -14.396 -7.545 1.00 0.00 C ATOM 42 O MET A 357 7.811 -15.157 -7.898 1.00 0.00 O ATOM 43 CB MET A 357 6.268 -15.040 -5.218 1.00 0.00 C ATOM 44 CG MET A 357 5.183 -15.459 -4.240 1.00 0.00 C ATOM 45 SD MET A 357 5.797 -15.615 -2.550 1.00 0.00 S ATOM 46 CE MET A 357 4.301 -16.090 -1.689 1.00 0.00 C ATOM 0 H MET A 357 5.321 -16.932 -6.482 1.00 0.00 H new ATOM 0 HA MET A 357 4.968 -14.157 -6.691 1.00 0.00 H new ATOM 0 HB2 MET A 357 7.071 -15.776 -5.193 1.00 0.00 H new ATOM 0 HB3 MET A 357 6.694 -14.092 -4.890 1.00 0.00 H new ATOM 0 HG2 MET A 357 4.375 -14.727 -4.263 1.00 0.00 H new ATOM 0 HG3 MET A 357 4.760 -16.412 -4.559 1.00 0.00 H new ATOM 0 HE1 MET A 357 4.518 -16.225 -0.629 1.00 0.00 H new ATOM 0 HE2 MET A 357 3.549 -15.310 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 357 3.924 -17.025 -2.104 1.00 0.00 H new ATOM 56 N LEU A 358 6.868 -13.112 -7.893 1.00 0.00 N ATOM 57 CA LEU A 358 7.903 -12.513 -8.728 1.00 0.00 C ATOM 58 C LEU A 358 9.220 -12.422 -7.957 1.00 0.00 C ATOM 59 O LEU A 358 9.567 -13.332 -7.205 1.00 0.00 O ATOM 60 CB LEU A 358 7.470 -11.119 -9.207 1.00 0.00 C ATOM 61 CG LEU A 358 6.313 -11.088 -10.215 1.00 0.00 C ATOM 62 CD1 LEU A 358 6.656 -11.907 -11.451 1.00 0.00 C ATOM 63 CD2 LEU A 358 5.023 -11.587 -9.579 1.00 0.00 C ATOM 0 H LEU A 358 6.129 -12.468 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 358 8.051 -13.148 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 358 7.184 -10.529 -8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 358 8.332 -10.626 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 358 6.159 -10.053 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 358 5.823 -11.872 -12.153 1.00 0.00 H new ATOM 0 HD12 LEU A 358 7.547 -11.495 -11.925 1.00 0.00 H new ATOM 0 HD13 LEU A 358 6.844 -12.941 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 358 4.219 -11.555 -10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 358 5.160 -12.612 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 358 4.766 -10.951 -8.732 1.00 0.00 H new ATOM 75 N GLU A 359 9.950 -11.323 -8.137 1.00 0.00 N ATOM 76 CA GLU A 359 11.216 -11.138 -7.441 1.00 0.00 C ATOM 77 C GLU A 359 10.990 -11.070 -5.934 1.00 0.00 C ATOM 78 O GLU A 359 10.193 -10.267 -5.449 1.00 0.00 O ATOM 79 CB GLU A 359 11.913 -9.865 -7.929 1.00 0.00 C ATOM 80 CG GLU A 359 11.085 -8.604 -7.744 1.00 0.00 C ATOM 81 CD GLU A 359 11.804 -7.359 -8.225 1.00 0.00 C ATOM 82 OE1 GLU A 359 12.897 -7.064 -7.697 1.00 0.00 O ATOM 83 OE2 GLU A 359 11.274 -6.679 -9.128 1.00 0.00 O ATOM 0 H GLU A 359 9.687 -10.555 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 359 11.857 -11.992 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 359 12.856 -9.751 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 359 12.156 -9.977 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 359 10.145 -8.708 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 359 10.834 -8.490 -6.689 1.00 0.00 H new ATOM 90 N VAL A 360 11.690 -11.926 -5.195 1.00 0.00 N ATOM 91 CA VAL A 360 11.558 -11.962 -3.745 1.00 0.00 C ATOM 92 C VAL A 360 12.168 -10.721 -3.105 1.00 0.00 C ATOM 93 O VAL A 360 13.281 -10.318 -3.445 1.00 0.00 O ATOM 94 CB VAL A 360 12.214 -13.224 -3.151 1.00 0.00 C ATOM 95 CG1 VAL A 360 11.487 -14.473 -3.625 1.00 0.00 C ATOM 96 CG2 VAL A 360 13.689 -13.289 -3.518 1.00 0.00 C ATOM 0 H VAL A 360 12.352 -12.602 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 360 10.491 -11.986 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 360 12.138 -13.172 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 360 11.963 -15.355 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 360 10.446 -14.431 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 360 11.531 -14.529 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 360 14.132 -14.188 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 360 13.793 -13.316 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.200 -12.410 -3.126 1.00 0.00 H new ATOM 106 N LEU A 361 11.430 -10.116 -2.179 1.00 0.00 N ATOM 107 CA LEU A 361 11.900 -8.917 -1.495 1.00 0.00 C ATOM 108 C LEU A 361 13.194 -9.200 -0.740 1.00 0.00 C ATOM 109 O LEU A 361 13.338 -10.246 -0.105 1.00 0.00 O ATOM 110 CB LEU A 361 10.833 -8.383 -0.530 1.00 0.00 C ATOM 111 CG LEU A 361 10.546 -9.253 0.702 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.623 -8.519 1.661 1.00 0.00 C ATOM 113 CD2 LEU A 361 9.931 -10.585 0.296 1.00 0.00 C ATOM 0 H LEU A 361 10.507 -10.436 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 361 12.095 -8.156 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 361 11.142 -7.395 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 361 9.903 -8.253 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 361 11.492 -9.453 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.428 -9.147 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.096 -7.591 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 361 8.683 -8.292 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 361 9.737 -11.183 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 361 8.994 -10.407 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 361 10.620 -11.120 -0.357 1.00 0.00 H new ATOM 125 N THR A 362 14.133 -8.262 -0.818 1.00 0.00 N ATOM 126 CA THR A 362 15.420 -8.408 -0.148 1.00 0.00 C ATOM 127 C THR A 362 16.104 -7.054 0.012 1.00 0.00 C ATOM 128 O THR A 362 16.226 -6.290 -0.948 1.00 0.00 O ATOM 129 CB THR A 362 16.355 -9.352 -0.930 1.00 0.00 C ATOM 130 OG1 THR A 362 15.739 -10.636 -1.087 1.00 0.00 O ATOM 131 CG2 THR A 362 17.689 -9.512 -0.215 1.00 0.00 C ATOM 0 H THR A 362 14.026 -7.392 -1.339 1.00 0.00 H new ATOM 0 HA THR A 362 15.223 -8.836 0.835 1.00 0.00 H new ATOM 0 HB THR A 362 16.536 -8.912 -1.911 1.00 0.00 H new ATOM 0 HG1 THR A 362 14.992 -10.719 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 362 18.330 -10.183 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 362 18.172 -8.539 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 362 17.522 -9.929 0.778 1.00 0.00 H new ATOM 139 N GLN A 363 16.548 -6.761 1.231 1.00 0.00 N ATOM 140 CA GLN A 363 17.217 -5.498 1.518 1.00 0.00 C ATOM 141 C GLN A 363 18.603 -5.452 0.884 1.00 0.00 C ATOM 142 O GLN A 363 19.420 -6.349 1.090 1.00 0.00 O ATOM 143 CB GLN A 363 17.328 -5.289 3.029 1.00 0.00 C ATOM 144 CG GLN A 363 15.983 -5.229 3.738 1.00 0.00 C ATOM 145 CD GLN A 363 15.150 -4.015 3.353 1.00 0.00 C ATOM 146 OE1 GLN A 363 15.719 -3.119 2.550 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 14.006 -3.880 3.783 1.00 0.00 N flip ATOM 0 H GLN A 363 16.456 -7.382 2.035 1.00 0.00 H new ATOM 0 HA GLN A 363 16.618 -4.696 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 363 17.918 -6.099 3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 363 17.871 -4.364 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 363 15.420 -6.134 3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 363 16.149 -5.220 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 363 13.605 -4.589 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 363 13.458 -3.059 3.526 1.00 0.00 H new ATOM 156 N LYS A 364 18.859 -4.394 0.119 1.00 0.00 N ATOM 157 CA LYS A 364 20.144 -4.209 -0.551 1.00 0.00 C ATOM 158 C LYS A 364 20.398 -2.728 -0.812 1.00 0.00 C ATOM 159 O LYS A 364 20.146 -2.232 -1.911 1.00 0.00 O ATOM 160 CB LYS A 364 20.186 -4.983 -1.874 1.00 0.00 C ATOM 161 CG LYS A 364 20.173 -6.495 -1.706 1.00 0.00 C ATOM 162 CD LYS A 364 20.237 -7.220 -3.044 1.00 0.00 C ATOM 163 CE LYS A 364 21.590 -7.052 -3.723 1.00 0.00 C ATOM 164 NZ LYS A 364 21.826 -5.653 -4.175 1.00 0.00 N ATOM 0 H LYS A 364 18.188 -3.646 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 364 20.925 -4.596 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 364 19.332 -4.688 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 364 21.083 -4.696 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 364 21.019 -6.798 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 364 19.269 -6.793 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 364 20.038 -8.281 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 364 19.453 -6.840 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 364 22.380 -7.346 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 364 21.650 -7.723 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 22.306 -5.663 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 20.915 -5.159 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 22.422 -5.159 -3.480 1.00 0.00 H new ATOM 178 N HIS A 365 20.890 -2.032 0.217 1.00 0.00 N ATOM 179 CA HIS A 365 21.180 -0.597 0.139 1.00 0.00 C ATOM 180 C HIS A 365 19.895 0.227 0.188 1.00 0.00 C ATOM 181 O HIS A 365 19.826 1.243 0.880 1.00 0.00 O ATOM 182 CB HIS A 365 21.973 -0.259 -1.129 1.00 0.00 C ATOM 183 CG HIS A 365 23.319 -0.910 -1.188 1.00 0.00 C ATOM 184 ND1 HIS A 365 23.500 -2.277 -1.148 1.00 0.00 N ATOM 185 CD2 HIS A 365 24.559 -0.372 -1.288 1.00 0.00 C ATOM 186 CE1 HIS A 365 24.791 -2.551 -1.221 1.00 0.00 C ATOM 187 NE2 HIS A 365 25.454 -1.412 -1.306 1.00 0.00 N ATOM 0 H HIS A 365 21.098 -2.446 1.126 1.00 0.00 H new ATOM 0 HA HIS A 365 21.790 -0.341 1.006 1.00 0.00 H new ATOM 0 HB2 HIS A 365 21.394 -0.563 -2.001 1.00 0.00 H new ATOM 0 HB3 HIS A 365 22.099 0.822 -1.191 1.00 0.00 H new ATOM 0 HD2 HIS A 365 24.798 0.680 -1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 365 25.229 -3.538 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 365 26.468 -1.320 -1.374 1.00 0.00 H new ATOM 196 N LYS A 366 18.880 -0.214 -0.551 1.00 0.00 N ATOM 197 CA LYS A 366 17.604 0.481 -0.595 1.00 0.00 C ATOM 198 C LYS A 366 16.519 -0.429 -1.169 1.00 0.00 C ATOM 199 O LYS A 366 16.735 -1.095 -2.181 1.00 0.00 O ATOM 200 CB LYS A 366 17.730 1.737 -1.450 1.00 0.00 C ATOM 201 CG LYS A 366 16.451 2.545 -1.542 1.00 0.00 C ATOM 202 CD LYS A 366 16.611 3.704 -2.504 1.00 0.00 C ATOM 203 CE LYS A 366 15.350 4.549 -2.573 1.00 0.00 C ATOM 204 NZ LYS A 366 14.976 5.099 -1.240 1.00 0.00 N ATOM 0 H LYS A 366 18.921 -1.054 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 366 17.323 0.761 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 366 18.518 2.368 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 366 18.042 1.452 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 366 15.634 1.903 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 366 16.182 2.921 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 366 17.450 4.325 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 366 16.850 3.324 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 366 15.501 5.369 -3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 366 14.529 3.945 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 14.291 5.872 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 14.550 4.347 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 15.826 5.463 -0.764 1.00 0.00 H new ATOM 218 N PRO A 367 15.332 -0.469 -0.536 1.00 0.00 N ATOM 219 CA PRO A 367 14.223 -1.303 -1.002 1.00 0.00 C ATOM 220 C PRO A 367 13.661 -0.821 -2.334 1.00 0.00 C ATOM 221 O PRO A 367 13.345 0.358 -2.495 1.00 0.00 O ATOM 222 CB PRO A 367 13.180 -1.167 0.102 1.00 0.00 C ATOM 223 CG PRO A 367 13.489 0.124 0.767 1.00 0.00 C ATOM 224 CD PRO A 367 14.977 0.297 0.674 1.00 0.00 C ATOM 0 HA PRO A 367 14.535 -2.332 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 367 12.170 -1.168 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 367 13.240 -1.997 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 367 12.970 0.948 0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 367 13.162 0.114 1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 367 15.255 1.347 0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 367 15.483 -0.090 1.558 1.00 0.00 H new ATOM 232 N ALA A 368 13.545 -1.739 -3.289 1.00 0.00 N ATOM 233 CA ALA A 368 13.024 -1.408 -4.611 1.00 0.00 C ATOM 234 C ALA A 368 11.499 -1.350 -4.614 1.00 0.00 C ATOM 235 O ALA A 368 10.860 -1.703 -5.606 1.00 0.00 O ATOM 236 CB ALA A 368 13.516 -2.421 -5.635 1.00 0.00 C ATOM 0 H ALA A 368 13.805 -2.718 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 368 13.393 -0.418 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 368 13.122 -2.165 -6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 368 14.605 -2.407 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 368 13.174 -3.417 -5.355 1.00 0.00 H new ATOM 242 N GLU A 369 10.920 -0.897 -3.503 1.00 0.00 N ATOM 243 CA GLU A 369 9.468 -0.790 -3.382 1.00 0.00 C ATOM 244 C GLU A 369 8.790 -2.099 -3.776 1.00 0.00 C ATOM 245 O GLU A 369 7.862 -2.112 -4.585 1.00 0.00 O ATOM 246 CB GLU A 369 8.945 0.353 -4.255 1.00 0.00 C ATOM 247 CG GLU A 369 9.525 1.710 -3.892 1.00 0.00 C ATOM 248 CD GLU A 369 9.004 2.822 -4.781 1.00 0.00 C ATOM 249 OE1 GLU A 369 7.776 3.047 -4.793 1.00 0.00 O ATOM 250 OE2 GLU A 369 9.825 3.469 -5.465 1.00 0.00 O ATOM 0 H GLU A 369 11.434 -0.598 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 369 9.230 -0.579 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 369 9.174 0.136 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 369 7.859 0.397 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 369 9.285 1.938 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 369 10.612 1.669 -3.967 1.00 0.00 H new ATOM 257 N SER A 370 9.268 -3.200 -3.204 1.00 0.00 N ATOM 258 CA SER A 370 8.719 -4.520 -3.500 1.00 0.00 C ATOM 259 C SER A 370 7.223 -4.577 -3.218 1.00 0.00 C ATOM 260 O SER A 370 6.452 -5.117 -4.013 1.00 0.00 O ATOM 261 CB SER A 370 9.444 -5.591 -2.682 1.00 0.00 C ATOM 262 OG SER A 370 8.931 -6.880 -2.965 1.00 0.00 O ATOM 0 H SER A 370 10.035 -3.205 -2.532 1.00 0.00 H new ATOM 0 HA SER A 370 8.871 -4.712 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 370 10.511 -5.563 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 370 9.335 -5.378 -1.619 1.00 0.00 H new ATOM 0 HG SER A 370 9.671 -7.490 -3.165 1.00 0.00 H new ATOM 268 N GLN A 371 6.823 -4.017 -2.086 1.00 0.00 N ATOM 269 CA GLN A 371 5.416 -3.999 -1.686 1.00 0.00 C ATOM 270 C GLN A 371 5.108 -2.787 -0.811 1.00 0.00 C ATOM 271 O GLN A 371 4.368 -2.888 0.168 1.00 0.00 O ATOM 272 CB GLN A 371 5.059 -5.284 -0.928 1.00 0.00 C ATOM 273 CG GLN A 371 5.134 -6.543 -1.777 1.00 0.00 C ATOM 274 CD GLN A 371 4.850 -7.812 -0.989 1.00 0.00 C ATOM 275 OE1 GLN A 371 4.612 -7.674 0.313 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 4.847 -8.910 -1.546 1.00 0.00 N flip ATOM 0 H GLN A 371 7.453 -3.566 -1.423 1.00 0.00 H new ATOM 0 HA GLN A 371 4.814 -3.935 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 371 5.732 -5.391 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 371 4.050 -5.188 -0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 371 4.420 -6.464 -2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 371 6.126 -6.614 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 371 5.034 -8.975 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 371 4.657 -9.755 -1.007 1.00 0.00 H new ATOM 285 N GLN A 372 5.676 -1.641 -1.173 1.00 0.00 N ATOM 286 CA GLN A 372 5.456 -0.410 -0.423 1.00 0.00 C ATOM 287 C GLN A 372 4.084 0.179 -0.736 1.00 0.00 C ATOM 288 O GLN A 372 3.729 0.362 -1.902 1.00 0.00 O ATOM 289 CB GLN A 372 6.550 0.610 -0.747 1.00 0.00 C ATOM 290 CG GLN A 372 6.432 1.906 0.041 1.00 0.00 C ATOM 291 CD GLN A 372 6.564 1.698 1.540 1.00 0.00 C ATOM 292 OE1 GLN A 372 5.760 0.998 2.155 1.00 0.00 O ATOM 293 NE2 GLN A 372 7.582 2.309 2.134 1.00 0.00 N ATOM 0 H GLN A 372 6.291 -1.539 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 372 5.494 -0.648 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 372 7.523 0.161 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.517 0.839 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.202 2.601 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.469 2.370 -0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 372 8.225 2.880 1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 372 7.721 2.207 3.139 1.00 0.00 H new ATOM 302 N GLN A 373 3.316 0.476 0.308 1.00 0.00 N ATOM 303 CA GLN A 373 1.984 1.044 0.140 1.00 0.00 C ATOM 304 C GLN A 373 2.062 2.479 -0.371 1.00 0.00 C ATOM 305 O GLN A 373 2.833 3.291 0.141 1.00 0.00 O ATOM 306 CB GLN A 373 1.215 1.003 1.462 1.00 0.00 C ATOM 307 CG GLN A 373 -0.174 1.619 1.380 1.00 0.00 C ATOM 308 CD GLN A 373 -1.050 0.948 0.340 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.492 1.719 -0.647 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -1.326 -0.249 0.421 1.00 0.00 N flip ATOM 0 H GLN A 373 3.594 0.333 1.279 1.00 0.00 H new ATOM 0 HA GLN A 373 1.454 0.443 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.125 -0.033 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.791 1.528 2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.656 1.549 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.084 2.679 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -0.965 -0.804 1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -1.916 -0.685 -0.287 1.00 0.00 H new ATOM 319 N ALA A 374 1.255 2.784 -1.381 1.00 0.00 N ATOM 320 CA ALA A 374 1.226 4.121 -1.960 1.00 0.00 C ATOM 321 C ALA A 374 -0.192 4.687 -1.965 1.00 0.00 C ATOM 322 O ALA A 374 -1.131 4.024 -2.403 1.00 0.00 O ATOM 323 CB ALA A 374 1.789 4.095 -3.373 1.00 0.00 C ATOM 0 H ALA A 374 0.612 2.122 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 374 1.847 4.771 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.762 5.100 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.819 3.740 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.190 3.426 -3.991 1.00 0.00 H new ATOM 329 N ALA A 375 -0.337 5.915 -1.476 1.00 0.00 N ATOM 330 CA ALA A 375 -1.636 6.574 -1.426 1.00 0.00 C ATOM 331 C ALA A 375 -2.248 6.664 -2.819 1.00 0.00 C ATOM 332 O ALA A 375 -1.933 7.568 -3.592 1.00 0.00 O ATOM 333 CB ALA A 375 -1.502 7.959 -0.813 1.00 0.00 C ATOM 0 H ALA A 375 0.432 6.474 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.300 5.979 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.480 8.439 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.108 7.872 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.822 8.560 -1.417 1.00 0.00 H new ATOM 339 N GLU A 376 -3.119 5.712 -3.132 1.00 0.00 N ATOM 340 CA GLU A 376 -3.777 5.664 -4.427 1.00 0.00 C ATOM 341 C GLU A 376 -4.856 6.737 -4.531 1.00 0.00 C ATOM 342 O GLU A 376 -4.723 7.822 -3.964 1.00 0.00 O ATOM 343 CB GLU A 376 -4.374 4.272 -4.639 1.00 0.00 C ATOM 344 CG GLU A 376 -3.370 3.147 -4.447 1.00 0.00 C ATOM 345 CD GLU A 376 -2.246 3.176 -5.468 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.488 4.168 -5.494 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.125 2.203 -6.243 1.00 0.00 O ATOM 0 H GLU A 376 -3.386 4.958 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.042 5.862 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.203 4.131 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.787 4.212 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.946 3.213 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.888 2.190 -4.511 1.00 0.00 H new ATOM 354 N THR A 377 -5.920 6.430 -5.264 1.00 0.00 N ATOM 355 CA THR A 377 -7.020 7.360 -5.454 1.00 0.00 C ATOM 356 C THR A 377 -8.342 6.616 -5.559 1.00 0.00 C ATOM 357 O THR A 377 -8.365 5.409 -5.800 1.00 0.00 O ATOM 358 CB THR A 377 -6.817 8.221 -6.717 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.758 7.383 -7.878 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.539 9.038 -6.610 1.00 0.00 C ATOM 0 H THR A 377 -6.042 5.536 -5.739 1.00 0.00 H new ATOM 0 HA THR A 377 -7.042 8.016 -4.584 1.00 0.00 H new ATOM 0 HB THR A 377 -7.662 8.904 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.631 7.938 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.414 9.638 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.598 9.695 -5.742 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.687 8.368 -6.500 1.00 0.00 H new ATOM 368 N GLU A 378 -9.439 7.340 -5.362 1.00 0.00 N ATOM 369 CA GLU A 378 -10.772 6.750 -5.420 1.00 0.00 C ATOM 370 C GLU A 378 -10.915 5.845 -6.635 1.00 0.00 C ATOM 371 O GLU A 378 -11.482 4.756 -6.550 1.00 0.00 O ATOM 372 CB GLU A 378 -11.835 7.848 -5.463 1.00 0.00 C ATOM 373 CG GLU A 378 -13.258 7.317 -5.456 1.00 0.00 C ATOM 374 CD GLU A 378 -14.293 8.424 -5.518 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.308 9.275 -4.603 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.087 8.444 -6.482 1.00 0.00 O ATOM 0 H GLU A 378 -9.431 8.340 -5.160 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.914 6.148 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.698 8.508 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.686 8.452 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.396 6.647 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.417 6.726 -4.554 1.00 0.00 H new ATOM 383 N GLY A 379 -10.397 6.307 -7.765 1.00 0.00 N ATOM 384 CA GLY A 379 -10.475 5.536 -8.989 1.00 0.00 C ATOM 385 C GLY A 379 -9.752 4.207 -8.901 1.00 0.00 C ATOM 386 O GLY A 379 -10.238 3.198 -9.411 1.00 0.00 O ATOM 0 H GLY A 379 -9.923 7.205 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.522 5.358 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.052 6.120 -9.807 1.00 0.00 H new ATOM 390 N SER A 380 -8.589 4.204 -8.262 1.00 0.00 N ATOM 391 CA SER A 380 -7.801 2.984 -8.123 1.00 0.00 C ATOM 392 C SER A 380 -8.491 1.967 -7.217 1.00 0.00 C ATOM 393 O SER A 380 -8.603 0.788 -7.559 1.00 0.00 O ATOM 394 CB SER A 380 -6.416 3.310 -7.578 1.00 0.00 C ATOM 395 OG SER A 380 -5.712 4.175 -8.451 1.00 0.00 O ATOM 0 H SER A 380 -8.171 5.029 -7.833 1.00 0.00 H new ATOM 0 HA SER A 380 -7.705 2.539 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.509 3.776 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.850 2.388 -7.441 1.00 0.00 H new ATOM 0 HG SER A 380 -4.828 4.369 -8.076 1.00 0.00 H new ATOM 401 N CYS A 381 -8.943 2.429 -6.056 1.00 0.00 N ATOM 402 CA CYS A 381 -9.608 1.564 -5.087 1.00 0.00 C ATOM 403 C CYS A 381 -10.831 0.876 -5.687 1.00 0.00 C ATOM 404 O CYS A 381 -11.033 -0.324 -5.493 1.00 0.00 O ATOM 405 CB CYS A 381 -10.016 2.372 -3.857 1.00 0.00 C ATOM 406 SG CYS A 381 -8.615 3.139 -2.986 1.00 0.00 S ATOM 0 H CYS A 381 -8.861 3.402 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.900 0.788 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.714 3.152 -4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.549 1.720 -3.165 1.00 0.00 H new ATOM 411 N ASN A 382 -11.646 1.639 -6.407 1.00 0.00 N ATOM 412 CA ASN A 382 -12.852 1.097 -7.029 1.00 0.00 C ATOM 413 C ASN A 382 -12.524 -0.124 -7.876 1.00 0.00 C ATOM 414 O ASN A 382 -13.314 -1.065 -7.964 1.00 0.00 O ATOM 415 CB ASN A 382 -13.530 2.159 -7.900 1.00 0.00 C ATOM 416 CG ASN A 382 -13.941 3.390 -7.114 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.692 3.378 -5.809 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.480 4.344 -7.675 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.495 2.634 -6.575 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.533 0.799 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.851 2.454 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.411 1.725 -8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.653 4.313 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.753 5.165 -7.135 1.00 0.00 H new ATOM 425 N LYS A 383 -11.357 -0.097 -8.505 1.00 0.00 N ATOM 426 CA LYS A 383 -10.921 -1.194 -9.355 1.00 0.00 C ATOM 427 C LYS A 383 -10.506 -2.405 -8.526 1.00 0.00 C ATOM 428 O LYS A 383 -10.750 -3.545 -8.920 1.00 0.00 O ATOM 429 CB LYS A 383 -9.767 -0.736 -10.246 1.00 0.00 C ATOM 430 CG LYS A 383 -10.053 0.563 -10.987 1.00 0.00 C ATOM 431 CD LYS A 383 -11.330 0.473 -11.810 1.00 0.00 C ATOM 432 CE LYS A 383 -11.568 1.739 -12.616 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.466 1.998 -13.584 1.00 0.00 N ATOM 0 H LYS A 383 -10.694 0.676 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.760 -1.494 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.874 -0.607 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.546 -1.518 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.139 1.379 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.214 0.801 -11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.270 -0.382 -12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.178 0.298 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.512 1.654 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.663 2.588 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.780 2.695 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.638 2.369 -13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.210 1.111 -14.064 1.00 0.00 H new ATOM 447 N LYS A 384 -9.863 -2.154 -7.387 1.00 0.00 N ATOM 448 CA LYS A 384 -9.400 -3.214 -6.518 1.00 0.00 C ATOM 449 C LYS A 384 -10.526 -4.139 -6.083 1.00 0.00 C ATOM 450 O LYS A 384 -11.660 -4.051 -6.556 1.00 0.00 O ATOM 451 CB LYS A 384 -8.738 -2.596 -5.295 1.00 0.00 C ATOM 452 CG LYS A 384 -7.670 -1.577 -5.647 1.00 0.00 C ATOM 453 CD LYS A 384 -6.582 -2.182 -6.517 1.00 0.00 C ATOM 454 CE LYS A 384 -6.885 -2.029 -8.001 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.743 -2.463 -8.852 1.00 0.00 N ATOM 0 H LYS A 384 -9.653 -1.214 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.686 -3.820 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.500 -2.117 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.292 -3.387 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.127 -0.736 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.227 -1.183 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.629 -1.703 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.472 -3.240 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.768 -2.616 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.122 -0.987 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.992 -2.342 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.906 -1.886 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.532 -3.464 -8.666 1.00 0.00 H new ATOM 469 N ASP A 385 -10.186 -5.017 -5.160 1.00 0.00 N ATOM 470 CA ASP A 385 -11.124 -5.980 -4.605 1.00 0.00 C ATOM 471 C ASP A 385 -10.823 -6.180 -3.128 1.00 0.00 C ATOM 472 O ASP A 385 -10.031 -5.440 -2.557 1.00 0.00 O ATOM 473 CB ASP A 385 -11.023 -7.312 -5.348 1.00 0.00 C ATOM 474 CG ASP A 385 -11.389 -7.189 -6.814 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.540 -6.801 -7.107 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.526 -7.479 -7.668 1.00 0.00 O ATOM 0 H ASP A 385 -9.246 -5.085 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.139 -5.599 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.007 -7.696 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.680 -8.040 -4.873 1.00 0.00 H new ATOM 481 N GLN A 386 -11.446 -7.173 -2.509 1.00 0.00 N ATOM 482 CA GLN A 386 -11.216 -7.430 -1.091 1.00 0.00 C ATOM 483 C GLN A 386 -9.723 -7.547 -0.802 1.00 0.00 C ATOM 484 O GLN A 386 -9.181 -6.826 0.037 1.00 0.00 O ATOM 485 CB GLN A 386 -11.936 -8.711 -0.658 1.00 0.00 C ATOM 486 CG GLN A 386 -11.843 -8.986 0.834 1.00 0.00 C ATOM 487 CD GLN A 386 -12.539 -10.272 1.234 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.728 -10.457 0.970 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.801 -11.166 1.881 1.00 0.00 N ATOM 0 H GLN A 386 -12.107 -7.808 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.616 -6.591 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.986 -8.641 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.515 -9.556 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.794 -9.039 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.284 -8.153 1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.820 -10.970 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.215 -12.049 2.181 1.00 0.00 H new ATOM 498 N ASN A 387 -9.065 -8.455 -1.509 1.00 0.00 N ATOM 499 CA ASN A 387 -7.635 -8.672 -1.342 1.00 0.00 C ATOM 500 C ASN A 387 -6.822 -7.488 -1.859 1.00 0.00 C ATOM 501 O ASN A 387 -5.699 -7.255 -1.411 1.00 0.00 O ATOM 502 CB ASN A 387 -7.211 -9.950 -2.069 1.00 0.00 C ATOM 503 CG ASN A 387 -5.727 -10.217 -1.953 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.186 -10.324 -0.853 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.062 -10.334 -3.092 1.00 0.00 N ATOM 0 H ASN A 387 -9.502 -9.056 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.437 -8.775 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.762 -10.797 -1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.482 -9.872 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.059 -10.521 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.552 -10.238 -3.981 1.00 0.00 H new ATOM 512 N GLU A 388 -7.383 -6.752 -2.816 1.00 0.00 N ATOM 513 CA GLU A 388 -6.690 -5.608 -3.401 1.00 0.00 C ATOM 514 C GLU A 388 -7.077 -4.299 -2.722 1.00 0.00 C ATOM 515 O GLU A 388 -6.546 -3.241 -3.067 1.00 0.00 O ATOM 516 CB GLU A 388 -6.975 -5.522 -4.901 1.00 0.00 C ATOM 517 CG GLU A 388 -6.504 -6.736 -5.684 1.00 0.00 C ATOM 518 CD GLU A 388 -6.788 -6.614 -7.169 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.279 -5.660 -7.794 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.517 -7.474 -7.707 1.00 0.00 O ATOM 0 H GLU A 388 -8.311 -6.927 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.622 -5.761 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.047 -5.398 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.491 -4.632 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.433 -6.870 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.995 -7.628 -5.295 1.00 0.00 H new ATOM 527 N CYS A 389 -7.993 -4.360 -1.760 1.00 0.00 N ATOM 528 CA CYS A 389 -8.416 -3.156 -1.060 1.00 0.00 C ATOM 529 C CYS A 389 -7.241 -2.608 -0.260 1.00 0.00 C ATOM 530 O CYS A 389 -6.926 -3.101 0.823 1.00 0.00 O ATOM 531 CB CYS A 389 -9.610 -3.454 -0.151 1.00 0.00 C ATOM 532 SG CYS A 389 -10.592 -1.986 0.307 1.00 0.00 S ATOM 0 H CYS A 389 -8.450 -5.218 -1.452 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.735 -2.406 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.262 -4.171 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.248 -3.933 0.759 1.00 0.00 H new ATOM 537 N LYS A 390 -6.572 -1.609 -0.827 1.00 0.00 N ATOM 538 CA LYS A 390 -5.395 -1.014 -0.197 1.00 0.00 C ATOM 539 C LYS A 390 -5.748 -0.209 1.049 1.00 0.00 C ATOM 540 O LYS A 390 -6.903 0.162 1.261 1.00 0.00 O ATOM 541 CB LYS A 390 -4.654 -0.145 -1.203 1.00 0.00 C ATOM 542 CG LYS A 390 -4.191 -0.918 -2.430 1.00 0.00 C ATOM 543 CD LYS A 390 -3.437 -0.028 -3.402 1.00 0.00 C ATOM 544 CE LYS A 390 -2.982 -0.805 -4.626 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.101 -1.948 -4.260 1.00 0.00 N ATOM 0 H LYS A 390 -6.824 -1.193 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.747 -1.829 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.304 0.671 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.789 0.307 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.550 -1.743 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.054 -1.356 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.076 0.799 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.571 0.407 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.853 -1.176 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.449 -0.137 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.624 -2.305 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.389 -1.631 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.674 -2.707 -3.840 1.00 0.00 H new ATOM 559 N SER A 391 -4.737 0.036 1.884 1.00 0.00 N ATOM 560 CA SER A 391 -4.921 0.777 3.130 1.00 0.00 C ATOM 561 C SER A 391 -5.594 2.130 2.892 1.00 0.00 C ATOM 562 O SER A 391 -6.636 2.407 3.488 1.00 0.00 O ATOM 563 CB SER A 391 -3.579 0.967 3.845 1.00 0.00 C ATOM 564 OG SER A 391 -3.746 1.671 5.064 1.00 0.00 O ATOM 0 H SER A 391 -3.778 -0.270 1.717 1.00 0.00 H new ATOM 0 HA SER A 391 -5.581 0.188 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.127 -0.005 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.892 1.512 3.198 1.00 0.00 H new ATOM 0 HG SER A 391 -2.876 1.778 5.502 1.00 0.00 H new ATOM 570 N PRO A 392 -5.031 2.997 2.018 1.00 0.00 N ATOM 571 CA PRO A 392 -5.618 4.302 1.727 1.00 0.00 C ATOM 572 C PRO A 392 -7.101 4.181 1.415 1.00 0.00 C ATOM 573 O PRO A 392 -7.889 5.083 1.702 1.00 0.00 O ATOM 574 CB PRO A 392 -4.845 4.785 0.488 1.00 0.00 C ATOM 575 CG PRO A 392 -4.042 3.620 0.024 1.00 0.00 C ATOM 576 CD PRO A 392 -3.802 2.793 1.241 1.00 0.00 C ATOM 0 HA PRO A 392 -5.544 4.988 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.529 5.123 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.201 5.629 0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.577 3.052 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.102 3.944 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.649 1.743 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.918 3.123 1.787 1.00 0.00 H new ATOM 584 N CYS A 393 -7.468 3.050 0.824 1.00 0.00 N ATOM 585 CA CYS A 393 -8.850 2.781 0.463 1.00 0.00 C ATOM 586 C CYS A 393 -9.715 2.565 1.701 1.00 0.00 C ATOM 587 O CYS A 393 -9.398 3.038 2.791 1.00 0.00 O ATOM 588 CB CYS A 393 -8.917 1.544 -0.432 1.00 0.00 C ATOM 589 SG CYS A 393 -7.837 1.619 -1.897 1.00 0.00 S ATOM 0 H CYS A 393 -6.820 2.300 0.584 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.235 3.648 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.648 0.668 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.947 1.403 -0.761 1.00 0.00 H new ATOM 594 N LYS A 394 -10.808 1.838 1.510 1.00 0.00 N ATOM 595 CA LYS A 394 -11.738 1.529 2.587 1.00 0.00 C ATOM 596 C LYS A 394 -12.677 0.413 2.152 1.00 0.00 C ATOM 597 O LYS A 394 -13.446 0.564 1.202 1.00 0.00 O ATOM 598 CB LYS A 394 -12.529 2.779 2.982 1.00 0.00 C ATOM 599 CG LYS A 394 -13.546 2.541 4.086 1.00 0.00 C ATOM 600 CD LYS A 394 -14.176 3.843 4.562 1.00 0.00 C ATOM 601 CE LYS A 394 -14.882 4.576 3.432 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.517 5.840 3.899 1.00 0.00 N ATOM 0 H LYS A 394 -11.074 1.447 0.606 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.176 1.194 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.831 3.552 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.045 3.163 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.326 1.871 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.062 2.043 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.889 3.632 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.405 4.486 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.166 4.800 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.642 3.927 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.987 6.309 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.219 5.624 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.788 6.471 4.290 1.00 0.00 H new ATOM 616 N TRP A 395 -12.588 -0.719 2.841 1.00 0.00 N ATOM 617 CA TRP A 395 -13.405 -1.879 2.517 1.00 0.00 C ATOM 618 C TRP A 395 -14.857 -1.690 2.947 1.00 0.00 C ATOM 619 O TRP A 395 -15.134 -1.180 4.033 1.00 0.00 O ATOM 620 CB TRP A 395 -12.825 -3.132 3.177 1.00 0.00 C ATOM 621 CG TRP A 395 -13.483 -4.402 2.730 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.984 -5.390 3.528 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.703 -4.828 1.378 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.506 -6.400 2.758 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.345 -6.079 1.435 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.422 -4.272 0.125 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.709 -6.782 0.289 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.783 -4.970 -1.010 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.421 -6.214 -0.921 1.00 0.00 C ATOM 0 H TRP A 395 -11.956 -0.857 3.630 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.392 -1.997 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.759 -3.188 2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.924 -3.042 4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.972 -5.379 4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.943 -7.251 3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.931 -3.313 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.201 -7.741 0.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.570 -4.550 -1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.691 -6.735 -1.827 1.00 0.00 H new ATOM 640 N HIS A 396 -15.776 -2.124 2.089 1.00 0.00 N ATOM 641 CA HIS A 396 -17.202 -2.024 2.376 1.00 0.00 C ATOM 642 C HIS A 396 -17.853 -3.401 2.334 1.00 0.00 C ATOM 643 O HIS A 396 -17.929 -4.034 1.275 1.00 0.00 O ATOM 644 CB HIS A 396 -17.890 -1.093 1.378 1.00 0.00 C ATOM 645 CG HIS A 396 -17.509 0.345 1.537 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.757 1.065 2.687 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.900 1.201 0.683 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.321 2.301 2.532 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.796 2.410 1.326 1.00 0.00 N ATOM 0 H HIS A 396 -15.557 -2.549 1.188 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.317 -1.609 3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.645 -1.415 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.970 -1.188 1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.560 0.975 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.383 3.090 3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.380 3.255 0.935 1.00 0.00 H new ATOM 658 N ASN A 397 -18.317 -3.854 3.496 1.00 0.00 N ATOM 659 CA ASN A 397 -18.967 -5.154 3.621 1.00 0.00 C ATOM 660 C ASN A 397 -20.449 -5.051 3.273 1.00 0.00 C ATOM 661 O ASN A 397 -21.123 -4.099 3.668 1.00 0.00 O ATOM 662 CB ASN A 397 -18.794 -5.685 5.049 1.00 0.00 C ATOM 663 CG ASN A 397 -19.314 -7.102 5.234 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.670 -7.765 4.139 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -19.377 -7.604 6.357 1.00 0.00 N flip ATOM 0 H ASN A 397 -18.253 -3.334 4.371 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.500 -5.847 2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.737 -5.656 5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.314 -5.022 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.094 -7.063 7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.712 -8.561 6.470 1.00 0.00 H new ATOM 672 N ASP A 398 -20.947 -6.034 2.528 1.00 0.00 N ATOM 673 CA ASP A 398 -22.348 -6.061 2.119 1.00 0.00 C ATOM 674 C ASP A 398 -22.688 -4.837 1.276 1.00 0.00 C ATOM 675 O ASP A 398 -23.806 -4.325 1.325 1.00 0.00 O ATOM 676 CB ASP A 398 -23.263 -6.131 3.343 1.00 0.00 C ATOM 677 CG ASP A 398 -23.016 -7.372 4.180 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.165 -8.489 3.642 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.673 -7.226 5.373 1.00 0.00 O ATOM 0 H ASP A 398 -20.398 -6.826 2.194 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.507 -6.953 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.110 -5.245 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.303 -6.117 3.017 1.00 0.00 H new ATOM 684 N ALA A 399 -21.712 -4.383 0.495 1.00 0.00 N ATOM 685 CA ALA A 399 -21.896 -3.228 -0.374 1.00 0.00 C ATOM 686 C ALA A 399 -22.582 -3.635 -1.670 1.00 0.00 C ATOM 687 O ALA A 399 -22.139 -3.271 -2.761 1.00 0.00 O ATOM 688 CB ALA A 399 -20.559 -2.579 -0.672 1.00 0.00 C ATOM 0 H ALA A 399 -20.782 -4.800 0.447 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.532 -2.508 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.710 -1.717 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.097 -2.254 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.908 -3.299 -1.168 1.00 0.00 H new ATOM 694 N GLU A 400 -23.652 -4.412 -1.531 1.00 0.00 N ATOM 695 CA GLU A 400 -24.418 -4.913 -2.655 1.00 0.00 C ATOM 696 C GLU A 400 -23.675 -6.056 -3.336 1.00 0.00 C ATOM 697 O GLU A 400 -24.292 -6.967 -3.890 1.00 0.00 O ATOM 698 CB GLU A 400 -24.721 -3.799 -3.648 1.00 0.00 C ATOM 699 CG GLU A 400 -25.622 -4.252 -4.769 1.00 0.00 C ATOM 700 CD GLU A 400 -27.043 -4.513 -4.310 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.686 -3.570 -3.803 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.513 -5.662 -4.457 1.00 0.00 O ATOM 0 H GLU A 400 -24.011 -4.711 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.368 -5.293 -2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.190 -2.967 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.786 -3.426 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.631 -3.493 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.215 -5.161 -5.212 1.00 0.00 H new ATOM 709 N ASN A 401 -22.345 -6.005 -3.282 1.00 0.00 N ATOM 710 CA ASN A 401 -21.511 -7.035 -3.883 1.00 0.00 C ATOM 711 C ASN A 401 -20.034 -6.771 -3.601 1.00 0.00 C ATOM 712 O ASN A 401 -19.189 -6.915 -4.485 1.00 0.00 O ATOM 713 CB ASN A 401 -21.764 -7.100 -5.391 1.00 0.00 C ATOM 714 CG ASN A 401 -21.445 -5.798 -6.114 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.052 -4.769 -5.368 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.557 -5.718 -7.337 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.824 -5.257 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.773 -7.995 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.162 -7.902 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.809 -7.358 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.861 -6.529 -7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.346 -4.841 -7.812 1.00 0.00 H new ATOM 723 N LYS A 402 -19.739 -6.377 -2.360 1.00 0.00 N ATOM 724 CA LYS A 402 -18.369 -6.077 -1.943 1.00 0.00 C ATOM 725 C LYS A 402 -17.817 -4.890 -2.726 1.00 0.00 C ATOM 726 O LYS A 402 -17.796 -4.909 -3.957 1.00 0.00 O ATOM 727 CB LYS A 402 -17.468 -7.300 -2.144 1.00 0.00 C ATOM 728 CG LYS A 402 -17.908 -8.524 -1.356 1.00 0.00 C ATOM 729 CD LYS A 402 -17.825 -8.288 0.143 1.00 0.00 C ATOM 730 CE LYS A 402 -18.201 -9.536 0.924 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.076 -9.331 2.393 1.00 0.00 N ATOM 0 H LYS A 402 -20.435 -6.258 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.384 -5.821 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.444 -7.552 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.450 -7.040 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.931 -8.783 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.282 -9.375 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.813 -7.982 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.489 -7.469 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.225 -9.820 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.560 -10.363 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.158 -10.246 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.151 -8.907 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.832 -8.696 2.720 1.00 0.00 H new ATOM 745 N LYS A 403 -17.375 -3.852 -2.018 1.00 0.00 N ATOM 746 CA LYS A 403 -16.840 -2.668 -2.686 1.00 0.00 C ATOM 747 C LYS A 403 -15.729 -1.999 -1.878 1.00 0.00 C ATOM 748 O LYS A 403 -15.821 -1.866 -0.658 1.00 0.00 O ATOM 749 CB LYS A 403 -17.958 -1.655 -2.949 1.00 0.00 C ATOM 750 CG LYS A 403 -19.094 -2.206 -3.794 1.00 0.00 C ATOM 751 CD LYS A 403 -20.089 -1.121 -4.180 1.00 0.00 C ATOM 752 CE LYS A 403 -19.448 -0.059 -5.062 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.937 -0.631 -6.338 1.00 0.00 N ATOM 0 H LYS A 403 -17.376 -3.806 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.412 -3.003 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.359 -1.314 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.536 -0.782 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.687 -2.664 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.609 -2.992 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.932 -1.570 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.487 -0.654 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.178 0.720 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.628 0.414 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.727 0.139 -7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.070 -1.174 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.657 -1.259 -6.750 1.00 0.00 H new ATOM 767 N CYS A 404 -14.689 -1.563 -2.584 1.00 0.00 N ATOM 768 CA CYS A 404 -13.555 -0.881 -1.966 1.00 0.00 C ATOM 769 C CYS A 404 -13.454 0.540 -2.521 1.00 0.00 C ATOM 770 O CYS A 404 -13.554 0.742 -3.732 1.00 0.00 O ATOM 771 CB CYS A 404 -12.259 -1.653 -2.237 1.00 0.00 C ATOM 772 SG CYS A 404 -10.777 -0.950 -1.439 1.00 0.00 S ATOM 0 H CYS A 404 -14.608 -1.672 -3.595 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.706 -0.835 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.386 -2.681 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.093 -1.691 -3.314 1.00 0.00 H new ATOM 777 N THR A 405 -13.280 1.525 -1.642 1.00 0.00 N ATOM 778 CA THR A 405 -13.196 2.919 -2.075 1.00 0.00 C ATOM 779 C THR A 405 -12.144 3.701 -1.297 1.00 0.00 C ATOM 780 O THR A 405 -11.959 3.496 -0.098 1.00 0.00 O ATOM 781 CB THR A 405 -14.551 3.637 -1.925 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.965 3.621 -0.554 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.616 2.979 -2.788 1.00 0.00 C ATOM 0 H THR A 405 -13.195 1.387 -0.635 1.00 0.00 H new ATOM 0 HA THR A 405 -12.909 2.889 -3.126 1.00 0.00 H new ATOM 0 HB THR A 405 -14.426 4.668 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.462 4.441 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.562 3.506 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.313 3.020 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.737 1.939 -2.486 1.00 0.00 H new ATOM 791 N LEU A 406 -11.465 4.606 -1.998 1.00 0.00 N ATOM 792 CA LEU A 406 -10.432 5.438 -1.398 1.00 0.00 C ATOM 793 C LEU A 406 -11.037 6.389 -0.375 1.00 0.00 C ATOM 794 O LEU A 406 -12.138 6.909 -0.562 1.00 0.00 O ATOM 795 CB LEU A 406 -9.691 6.215 -2.486 1.00 0.00 C ATOM 796 CG LEU A 406 -8.379 6.885 -2.067 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.642 8.116 -1.218 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.480 5.899 -1.333 1.00 0.00 C ATOM 0 H LEU A 406 -11.616 4.781 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.720 4.795 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.479 5.533 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.360 6.984 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.862 7.208 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.693 8.572 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.233 8.832 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.189 7.829 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.554 6.396 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.990 5.536 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.252 5.058 -1.988 1.00 0.00 H new ATOM 810 N ASP A 407 -10.304 6.607 0.705 1.00 0.00 N ATOM 811 CA ASP A 407 -10.751 7.492 1.773 1.00 0.00 C ATOM 812 C ASP A 407 -9.830 8.701 1.899 1.00 0.00 C ATOM 813 O ASP A 407 -8.607 8.565 1.892 1.00 0.00 O ATOM 814 CB ASP A 407 -10.803 6.728 3.095 1.00 0.00 C ATOM 815 CG ASP A 407 -11.357 7.565 4.232 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.517 8.015 4.127 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.631 7.767 5.228 1.00 0.00 O ATOM 0 H ASP A 407 -9.391 6.181 0.867 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.751 7.851 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.419 5.837 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.800 6.389 3.354 1.00 0.00 H new ATOM 822 N LYS A 408 -10.426 9.886 2.003 1.00 0.00 N ATOM 823 CA LYS A 408 -9.661 11.123 2.120 1.00 0.00 C ATOM 824 C LYS A 408 -8.885 11.175 3.433 1.00 0.00 C ATOM 825 O LYS A 408 -7.747 11.638 3.468 1.00 0.00 O ATOM 826 CB LYS A 408 -10.592 12.337 1.989 1.00 0.00 C ATOM 827 CG LYS A 408 -11.622 12.473 3.104 1.00 0.00 C ATOM 828 CD LYS A 408 -11.056 13.209 4.311 1.00 0.00 C ATOM 829 CE LYS A 408 -12.079 13.321 5.430 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.531 14.043 6.613 1.00 0.00 N ATOM 0 H LYS A 408 -11.438 10.015 2.009 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.934 11.150 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.985 13.242 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -11.115 12.275 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.495 13.007 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.961 11.483 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.173 12.685 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.733 14.206 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.963 13.843 5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.400 12.323 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.315 14.396 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -10.945 13.394 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.950 14.844 6.292 1.00 0.00 H new ATOM 844 N GLU A 409 -9.512 10.708 4.508 1.00 0.00 N ATOM 845 CA GLU A 409 -8.887 10.712 5.825 1.00 0.00 C ATOM 846 C GLU A 409 -7.672 9.787 5.876 1.00 0.00 C ATOM 847 O GLU A 409 -6.616 10.163 6.383 1.00 0.00 O ATOM 848 CB GLU A 409 -9.908 10.293 6.883 1.00 0.00 C ATOM 849 CG GLU A 409 -9.332 10.206 8.282 1.00 0.00 C ATOM 850 CD GLU A 409 -8.795 11.535 8.779 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.583 12.501 8.860 1.00 0.00 O ATOM 852 OE2 GLU A 409 -7.587 11.609 9.087 1.00 0.00 O ATOM 0 H GLU A 409 -10.456 10.321 4.492 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.541 11.725 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.733 11.006 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.325 9.324 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.103 9.852 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.530 9.467 8.295 1.00 0.00 H new ATOM 859 N GLU A 410 -7.831 8.575 5.358 1.00 0.00 N ATOM 860 CA GLU A 410 -6.747 7.598 5.356 1.00 0.00 C ATOM 861 C GLU A 410 -5.627 8.015 4.406 1.00 0.00 C ATOM 862 O GLU A 410 -4.448 7.898 4.737 1.00 0.00 O ATOM 863 CB GLU A 410 -7.275 6.217 4.966 1.00 0.00 C ATOM 864 CG GLU A 410 -6.226 5.116 5.031 1.00 0.00 C ATOM 865 CD GLU A 410 -5.710 4.876 6.438 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.103 5.801 7.017 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.915 3.761 6.962 1.00 0.00 O ATOM 0 H GLU A 410 -8.698 8.245 4.934 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.338 7.553 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.103 5.956 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.676 6.264 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.653 4.191 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.390 5.378 4.382 1.00 0.00 H new ATOM 874 N ALA A 411 -6.001 8.492 3.223 1.00 0.00 N ATOM 875 CA ALA A 411 -5.025 8.917 2.223 1.00 0.00 C ATOM 876 C ALA A 411 -4.148 10.052 2.742 1.00 0.00 C ATOM 877 O ALA A 411 -2.924 10.001 2.620 1.00 0.00 O ATOM 878 CB ALA A 411 -5.731 9.331 0.940 1.00 0.00 C ATOM 0 H ALA A 411 -6.973 8.594 2.932 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.374 8.069 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.992 9.646 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.298 8.487 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.410 10.158 1.149 1.00 0.00 H new ATOM 884 N LYS A 412 -4.772 11.075 3.320 1.00 0.00 N ATOM 885 CA LYS A 412 -4.025 12.209 3.852 1.00 0.00 C ATOM 886 C LYS A 412 -3.122 11.762 4.996 1.00 0.00 C ATOM 887 O LYS A 412 -2.013 12.269 5.160 1.00 0.00 O ATOM 888 CB LYS A 412 -4.977 13.328 4.303 1.00 0.00 C ATOM 889 CG LYS A 412 -5.958 12.926 5.399 1.00 0.00 C ATOM 890 CD LYS A 412 -5.345 13.012 6.791 1.00 0.00 C ATOM 891 CE LYS A 412 -5.135 14.455 7.238 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.116 15.163 6.413 1.00 0.00 N ATOM 0 H LYS A 412 -5.784 11.142 3.431 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.395 12.610 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.383 14.171 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.542 13.676 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.835 13.571 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.301 11.907 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -5.993 12.503 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.389 12.488 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.082 14.992 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.825 14.467 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -3.652 15.895 6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.405 14.481 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.579 15.607 5.595 1.00 0.00 H new ATOM 906 N LYS A 413 -3.605 10.806 5.785 1.00 0.00 N ATOM 907 CA LYS A 413 -2.853 10.282 6.910 1.00 0.00 C ATOM 908 C LYS A 413 -1.579 9.587 6.438 1.00 0.00 C ATOM 909 O LYS A 413 -0.490 9.850 6.948 1.00 0.00 O ATOM 910 CB LYS A 413 -3.725 9.302 7.689 1.00 0.00 C ATOM 911 CG LYS A 413 -3.183 8.982 9.062 1.00 0.00 C ATOM 912 CD LYS A 413 -4.088 8.014 9.809 1.00 0.00 C ATOM 913 CE LYS A 413 -3.533 7.686 11.185 1.00 0.00 C ATOM 914 NZ LYS A 413 -3.371 8.905 12.024 1.00 0.00 N ATOM 0 H LYS A 413 -4.523 10.378 5.660 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.566 11.111 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.727 9.719 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.820 8.378 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.186 8.551 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.080 9.902 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.083 8.448 9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.198 7.096 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.200 6.985 11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -2.569 7.188 11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -3.221 8.627 13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -2.551 9.450 11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.228 9.491 11.955 1.00 0.00 H new ATOM 928 N VAL A 414 -1.726 8.697 5.459 1.00 0.00 N ATOM 929 CA VAL A 414 -0.594 7.959 4.911 1.00 0.00 C ATOM 930 C VAL A 414 0.406 8.899 4.245 1.00 0.00 C ATOM 931 O VAL A 414 1.616 8.754 4.410 1.00 0.00 O ATOM 932 CB VAL A 414 -1.056 6.906 3.885 1.00 0.00 C ATOM 933 CG1 VAL A 414 0.133 6.139 3.326 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.064 5.957 4.514 1.00 0.00 C ATOM 0 H VAL A 414 -2.622 8.470 5.029 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.110 7.454 5.747 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.542 7.423 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.217 5.401 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.815 6.833 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.654 5.633 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.380 5.220 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.605 5.448 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -2.931 6.522 4.856 1.00 0.00 H new ATOM 944 N ALA A 415 -0.110 9.860 3.490 1.00 0.00 N ATOM 945 CA ALA A 415 0.737 10.823 2.799 1.00 0.00 C ATOM 946 C ALA A 415 1.453 11.732 3.786 1.00 0.00 C ATOM 947 O ALA A 415 2.593 12.139 3.557 1.00 0.00 O ATOM 948 CB ALA A 415 -0.086 11.662 1.837 1.00 0.00 C ATOM 0 H ALA A 415 -1.110 9.993 3.341 1.00 0.00 H new ATOM 0 HA ALA A 415 1.485 10.263 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.563 12.376 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.557 11.012 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.855 12.201 2.390 1.00 0.00 H new ATOM 954 N ASP A 416 0.773 12.059 4.879 1.00 0.00 N ATOM 955 CA ASP A 416 1.340 12.934 5.889 1.00 0.00 C ATOM 956 C ASP A 416 1.598 12.186 7.190 1.00 0.00 C ATOM 957 O ASP A 416 1.176 12.623 8.262 1.00 0.00 O ATOM 958 CB ASP A 416 0.411 14.117 6.144 1.00 0.00 C ATOM 959 CG ASP A 416 0.196 14.962 4.904 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.191 15.498 4.371 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.965 15.087 4.464 1.00 0.00 O ATOM 0 H ASP A 416 -0.170 11.730 5.085 1.00 0.00 H new ATOM 0 HA ASP A 416 2.296 13.301 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.551 13.749 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.828 14.739 6.936 1.00 0.00 H new ATOM 966 N GLU A 417 2.298 11.063 7.093 1.00 0.00 N ATOM 967 CA GLU A 417 2.622 10.259 8.270 1.00 0.00 C ATOM 968 C GLU A 417 3.699 10.934 9.117 1.00 0.00 C ATOM 969 O GLU A 417 4.477 10.261 9.796 1.00 0.00 O ATOM 970 CB GLU A 417 3.088 8.860 7.858 1.00 0.00 C ATOM 971 CG GLU A 417 1.987 8.004 7.255 1.00 0.00 C ATOM 972 CD GLU A 417 2.475 6.627 6.851 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.388 6.546 6.001 1.00 0.00 O ATOM 974 OE2 GLU A 417 1.946 5.629 7.384 1.00 0.00 O ATOM 0 H GLU A 417 2.653 10.687 6.214 1.00 0.00 H new ATOM 0 HA GLU A 417 1.715 10.169 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.899 8.955 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.496 8.350 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.176 7.901 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.575 8.510 6.382 1.00 0.00 H new ATOM 981 N THR A 418 3.726 12.264 9.080 1.00 0.00 N ATOM 982 CA THR A 418 4.688 13.044 9.848 1.00 0.00 C ATOM 983 C THR A 418 6.113 12.537 9.643 1.00 0.00 C ATOM 984 O THR A 418 6.856 12.327 10.602 1.00 0.00 O ATOM 985 CB THR A 418 4.338 13.031 11.346 1.00 0.00 C ATOM 986 OG1 THR A 418 4.535 11.721 11.890 1.00 0.00 O ATOM 987 CG2 THR A 418 2.889 13.453 11.548 1.00 0.00 C ATOM 0 H THR A 418 3.085 12.827 8.520 1.00 0.00 H new ATOM 0 HA THR A 418 4.634 14.069 9.482 1.00 0.00 H new ATOM 0 HB THR A 418 4.993 13.734 11.861 1.00 0.00 H new ATOM 0 HG1 THR A 418 4.815 11.110 11.177 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.651 13.440 12.612 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.745 14.460 11.156 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.232 12.761 11.021 1.00 0.00 H new ATOM 995 N ALA A 419 6.484 12.348 8.380 1.00 0.00 N ATOM 996 CA ALA A 419 7.816 11.870 8.032 1.00 0.00 C ATOM 997 C ALA A 419 8.067 12.010 6.535 1.00 0.00 C ATOM 998 O ALA A 419 9.083 12.562 6.113 1.00 0.00 O ATOM 999 CB ALA A 419 7.988 10.421 8.462 1.00 0.00 C ATOM 0 H ALA A 419 5.877 12.520 7.578 1.00 0.00 H new ATOM 0 HA ALA A 419 8.547 12.482 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 419 8.988 10.079 8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 419 7.854 10.343 9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 419 7.246 9.801 7.958 1.00 0.00 H new ATOM 1005 N LYS A 420 7.131 11.507 5.737 1.00 0.00 N ATOM 1006 CA LYS A 420 7.243 11.577 4.285 1.00 0.00 C ATOM 1007 C LYS A 420 6.747 12.925 3.766 1.00 0.00 C ATOM 1008 O LYS A 420 5.980 12.985 2.804 1.00 0.00 O ATOM 1009 CB LYS A 420 6.442 10.442 3.640 1.00 0.00 C ATOM 1010 CG LYS A 420 6.889 9.054 4.074 1.00 0.00 C ATOM 1011 CD LYS A 420 8.331 8.779 3.678 1.00 0.00 C ATOM 1012 CE LYS A 420 8.767 7.386 4.101 1.00 0.00 C ATOM 1013 NZ LYS A 420 10.188 7.118 3.747 1.00 0.00 N ATOM 0 H LYS A 420 6.285 11.046 6.072 1.00 0.00 H new ATOM 0 HA LYS A 420 8.294 11.471 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.388 10.568 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.528 10.519 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.784 8.959 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.238 8.305 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 420 8.440 8.884 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.984 9.521 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 420 8.634 7.275 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 420 8.127 6.644 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 10.447 6.158 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 10.310 7.199 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 10.801 7.810 4.224 1.00 0.00 H new ATOM 1027 N ASP A 421 7.180 14.004 4.414 1.00 0.00 N ATOM 1028 CA ASP A 421 6.768 15.348 4.017 1.00 0.00 C ATOM 1029 C ASP A 421 7.577 16.419 4.748 1.00 0.00 C ATOM 1030 O ASP A 421 7.017 17.257 5.455 1.00 0.00 O ATOM 1031 CB ASP A 421 5.274 15.542 4.293 1.00 0.00 C ATOM 1032 CG ASP A 421 4.921 15.321 5.751 1.00 0.00 C ATOM 1033 OD1 ASP A 421 5.155 14.203 6.258 1.00 0.00 O ATOM 1034 OD2 ASP A 421 4.411 16.267 6.388 1.00 0.00 O ATOM 0 H ASP A 421 7.813 13.974 5.213 1.00 0.00 H new ATOM 0 HA ASP A 421 6.956 15.454 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 421 4.981 16.550 4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 421 4.701 14.851 3.675 1.00 0.00 H new ATOM 1039 N GLY A 422 8.895 16.390 4.572 1.00 0.00 N ATOM 1040 CA GLY A 422 9.745 17.371 5.223 1.00 0.00 C ATOM 1041 C GLY A 422 11.136 17.435 4.623 1.00 0.00 C ATOM 1042 O GLY A 422 12.125 17.556 5.347 1.00 0.00 O ATOM 0 H GLY A 422 9.387 15.709 3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 422 9.278 18.353 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 422 9.823 17.131 6.283 1.00 0.00 H new ATOM 1046 N LYS A 423 11.209 17.363 3.296 1.00 0.00 N ATOM 1047 CA LYS A 423 12.486 17.422 2.591 1.00 0.00 C ATOM 1048 C LYS A 423 13.476 16.410 3.162 1.00 0.00 C ATOM 1049 O LYS A 423 14.637 16.735 3.414 1.00 0.00 O ATOM 1050 CB LYS A 423 13.071 18.833 2.676 1.00 0.00 C ATOM 1051 CG LYS A 423 12.163 19.904 2.093 1.00 0.00 C ATOM 1052 CD LYS A 423 12.791 21.284 2.200 1.00 0.00 C ATOM 1053 CE LYS A 423 11.875 22.359 1.634 1.00 0.00 C ATOM 1054 NZ LYS A 423 10.567 22.404 2.343 1.00 0.00 N ATOM 0 H LYS A 423 10.397 17.264 2.687 1.00 0.00 H new ATOM 0 HA LYS A 423 12.307 17.171 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 423 13.275 19.070 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 423 14.026 18.853 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 423 11.956 19.677 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 423 11.207 19.896 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 423 13.011 21.505 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 423 13.741 21.295 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 423 12.364 23.330 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 423 11.707 22.171 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 10.070 23.284 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.989 21.589 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 10.727 22.371 3.370 1.00 0.00 H new ATOM 1068 N THR A 424 13.008 15.182 3.367 1.00 0.00 N ATOM 1069 CA THR A 424 13.851 14.126 3.914 1.00 0.00 C ATOM 1070 C THR A 424 15.032 13.820 2.996 1.00 0.00 C ATOM 1071 O THR A 424 16.183 13.826 3.432 1.00 0.00 O ATOM 1072 CB THR A 424 13.048 12.833 4.144 1.00 0.00 C ATOM 1073 OG1 THR A 424 12.489 12.375 2.907 1.00 0.00 O ATOM 1074 CG2 THR A 424 11.935 13.061 5.156 1.00 0.00 C ATOM 0 H THR A 424 12.051 14.895 3.163 1.00 0.00 H new ATOM 0 HA THR A 424 14.228 14.491 4.869 1.00 0.00 H new ATOM 0 HB THR A 424 13.726 12.076 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 424 11.981 11.551 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 424 11.381 12.134 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 424 12.366 13.380 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 424 11.260 13.833 4.786 1.00 0.00 H new ATOM 1082 N GLY A 425 14.741 13.552 1.726 1.00 0.00 N ATOM 1083 CA GLY A 425 15.794 13.247 0.776 1.00 0.00 C ATOM 1084 C GLY A 425 15.261 12.673 -0.523 1.00 0.00 C ATOM 1085 O GLY A 425 14.388 11.806 -0.512 1.00 0.00 O ATOM 0 H GLY A 425 13.797 13.541 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 425 16.360 14.154 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 425 16.488 12.537 1.225 1.00 0.00 H new ATOM 1089 N ASN A 426 15.793 13.156 -1.644 1.00 0.00 N ATOM 1090 CA ASN A 426 15.371 12.684 -2.958 1.00 0.00 C ATOM 1091 C ASN A 426 16.276 13.239 -4.054 1.00 0.00 C ATOM 1092 O ASN A 426 16.509 14.446 -4.129 1.00 0.00 O ATOM 1093 CB ASN A 426 13.918 13.083 -3.227 1.00 0.00 C ATOM 1094 CG ASN A 426 13.701 14.581 -3.128 1.00 0.00 C ATOM 1095 OD1 ASN A 426 13.933 15.185 -2.081 1.00 0.00 O ATOM 1096 ND2 ASN A 426 13.255 15.188 -4.221 1.00 0.00 N ATOM 0 H ASN A 426 16.517 13.874 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 426 15.448 11.597 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 426 13.629 12.742 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 426 13.267 12.577 -2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 426 13.091 16.195 -4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 426 13.076 14.648 -5.067 1.00 0.00 H new ATOM 1103 N THR A 427 16.784 12.346 -4.901 1.00 0.00 N ATOM 1104 CA THR A 427 17.664 12.738 -5.996 1.00 0.00 C ATOM 1105 C THR A 427 18.841 13.568 -5.470 1.00 0.00 C ATOM 1106 O THR A 427 19.515 13.156 -4.525 1.00 0.00 O ATOM 1107 CB THR A 427 16.892 13.525 -7.075 1.00 0.00 C ATOM 1108 OG1 THR A 427 15.624 12.902 -7.317 1.00 0.00 O ATOM 1109 CG2 THR A 427 17.679 13.578 -8.377 1.00 0.00 C ATOM 0 H THR A 427 16.600 11.344 -4.848 1.00 0.00 H new ATOM 0 HA THR A 427 18.054 11.829 -6.454 1.00 0.00 H new ATOM 0 HB THR A 427 16.744 14.542 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 427 15.137 13.407 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 427 17.113 14.138 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 427 18.637 14.069 -8.204 1.00 0.00 H new ATOM 0 HG23 THR A 427 17.851 12.565 -8.739 1.00 0.00 H new ATOM 1117 N ASN A 428 19.082 14.735 -6.071 1.00 0.00 N ATOM 1118 CA ASN A 428 20.170 15.607 -5.650 1.00 0.00 C ATOM 1119 C ASN A 428 20.190 16.886 -6.483 1.00 0.00 C ATOM 1120 O ASN A 428 20.261 17.989 -5.941 1.00 0.00 O ATOM 1121 CB ASN A 428 21.517 14.888 -5.770 1.00 0.00 C ATOM 1122 CG ASN A 428 22.682 15.750 -5.321 1.00 0.00 C ATOM 1123 OD1 ASN A 428 22.955 16.799 -5.904 1.00 0.00 O ATOM 1124 ND2 ASN A 428 23.377 15.309 -4.279 1.00 0.00 N ATOM 0 H ASN A 428 18.534 15.095 -6.853 1.00 0.00 H new ATOM 0 HA ASN A 428 20.003 15.870 -4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 428 21.493 13.977 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 428 21.672 14.585 -6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 428 24.172 15.846 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 428 23.116 14.434 -3.825 1.00 0.00 H new ATOM 1131 N THR A 429 20.130 16.728 -7.801 1.00 0.00 N ATOM 1132 CA THR A 429 20.144 17.868 -8.711 1.00 0.00 C ATOM 1133 C THR A 429 18.866 18.693 -8.583 1.00 0.00 C ATOM 1134 O THR A 429 18.054 18.464 -7.687 1.00 0.00 O ATOM 1135 CB THR A 429 20.305 17.415 -10.174 1.00 0.00 C ATOM 1136 OG1 THR A 429 19.219 16.558 -10.547 1.00 0.00 O ATOM 1137 CG2 THR A 429 21.625 16.684 -10.369 1.00 0.00 C ATOM 0 H THR A 429 20.071 15.821 -8.263 1.00 0.00 H new ATOM 0 HA THR A 429 20.999 18.484 -8.432 1.00 0.00 H new ATOM 0 HB THR A 429 20.299 18.301 -10.808 1.00 0.00 H new ATOM 0 HG1 THR A 429 19.330 16.277 -11.479 1.00 0.00 H new ATOM 0 HG21 THR A 429 21.718 16.373 -11.409 1.00 0.00 H new ATOM 0 HG22 THR A 429 22.450 17.349 -10.114 1.00 0.00 H new ATOM 0 HG23 THR A 429 21.653 15.806 -9.724 1.00 0.00 H new ATOM 1145 N THR A 430 18.696 19.653 -9.488 1.00 0.00 N ATOM 1146 CA THR A 430 17.518 20.513 -9.482 1.00 0.00 C ATOM 1147 C THR A 430 16.334 19.829 -10.162 1.00 0.00 C ATOM 1148 O THR A 430 15.638 20.437 -10.977 1.00 0.00 O ATOM 1149 CB THR A 430 17.801 21.853 -10.186 1.00 0.00 C ATOM 1150 OG1 THR A 430 18.203 21.620 -11.541 1.00 0.00 O ATOM 1151 CG2 THR A 430 18.887 22.629 -9.456 1.00 0.00 C ATOM 0 H THR A 430 19.360 19.854 -10.235 1.00 0.00 H new ATOM 0 HA THR A 430 17.269 20.706 -8.438 1.00 0.00 H new ATOM 0 HB THR A 430 16.885 22.444 -10.176 1.00 0.00 H new ATOM 0 HG1 THR A 430 18.379 22.477 -11.982 1.00 0.00 H new ATOM 0 HG21 THR A 430 19.070 23.572 -9.972 1.00 0.00 H new ATOM 0 HG22 THR A 430 18.566 22.831 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 430 19.805 22.041 -9.438 1.00 0.00 H new ATOM 1159 N GLY A 431 16.113 18.563 -9.823 1.00 0.00 N ATOM 1160 CA GLY A 431 15.015 17.816 -10.410 1.00 0.00 C ATOM 1161 C GLY A 431 13.667 18.454 -10.139 1.00 0.00 C ATOM 1162 O GLY A 431 12.833 18.560 -11.037 1.00 0.00 O ATOM 0 H GLY A 431 16.675 18.040 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 431 15.167 17.739 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 431 15.019 16.800 -10.014 1.00 0.00 H new ATOM 1166 N SER A 432 13.453 18.873 -8.896 1.00 0.00 N ATOM 1167 CA SER A 432 12.197 19.504 -8.502 1.00 0.00 C ATOM 1168 C SER A 432 12.140 20.958 -8.969 1.00 0.00 C ATOM 1169 O SER A 432 12.103 21.879 -8.152 1.00 0.00 O ATOM 1170 CB SER A 432 12.028 19.434 -6.983 1.00 0.00 C ATOM 1171 OG SER A 432 13.086 20.102 -6.320 1.00 0.00 O ATOM 0 H SER A 432 14.135 18.787 -8.142 1.00 0.00 H new ATOM 0 HA SER A 432 11.381 18.962 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 432 11.076 19.883 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 432 11.996 18.392 -6.665 1.00 0.00 H new ATOM 0 HG SER A 432 13.143 21.026 -6.643 1.00 0.00 H new ATOM 1177 N SER A 433 12.137 21.155 -10.286 1.00 0.00 N ATOM 1178 CA SER A 433 12.086 22.495 -10.864 1.00 0.00 C ATOM 1179 C SER A 433 13.257 23.344 -10.378 1.00 0.00 C ATOM 1180 O SER A 433 14.348 23.246 -10.980 1.00 0.00 O ATOM 1181 CB SER A 433 10.761 23.178 -10.515 1.00 0.00 C ATOM 1182 OG SER A 433 9.659 22.450 -11.030 1.00 0.00 O ATOM 1183 OXT SER A 433 13.076 24.100 -9.400 1.00 0.00 O ATOM 0 H SER A 433 12.169 20.402 -10.973 1.00 0.00 H new ATOM 0 HA SER A 433 12.159 22.397 -11.947 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.668 23.266 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.753 24.190 -10.919 1.00 0.00 H new ATOM 0 HG SER A 433 8.825 22.907 -10.792 1.00 0.00 H new TER 1189 SER A 433