USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 671 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 NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A 449 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A 449 ZNZN :(H bumps) USER MOD NoAdj-H: A 434 HIS HE2 : A 434 HIS NE2 : A 450 ZNZN :(H bumps) USER MOD NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A 450 ZNZN :(H bumps) USER MOD Set 1.1: A 379 CYS SG : rot -140:sc= -12.4! USER MOD Set 1.2: A 385 CYS SG : rot -174:sc= -10.3! USER MOD Set 2.1: A 377 THR OG1 : rot -67:sc= -0.131 USER MOD Set 2.2: A 408 GLN :FLIP amide:sc= -1.53 F(o=-4.1!,f=-1.7) USER MOD Set 3.1: A 367 GLN : amide:sc= 0.339 X(o=0.37,f=-0.072) USER MOD Set 3.2: A 369 SER OG : rot 180:sc= 0.0268 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -134:sc= 0.0974 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 38:sc= 0.134 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN :FLIP amide:sc= -0.0116 F(o=-1.1,f=-0.012) USER MOD Single : A 373 LYS NZ :NH3+ 150:sc= 1.23 (180deg=-0.0321) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 SER OG : rot 38:sc= -0.578 USER MOD Single : A 380 MET CE :methyl 167:sc= 0 (180deg=-0.172) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 386 TYR OH : rot 15:sc= 0.0228 USER MOD Single : A 388 LYS NZ :NH3+ -174:sc=-0.00268 (180deg=-0.0516) USER MOD Single : A 389 ASN : amide:sc= -2.68 K(o=-2.7,f=-12!) USER MOD Single : A 394 GLN : amide:sc= -0.504 K(o=-0.5,f=-4.2) USER MOD Single : A 395 HIS : no HE2:sc= -4.88! C(o=-4.9!,f=-12!) USER MOD Single : A 397 SER OG : rot -92:sc= -2.07! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 412 GLN :FLIP amide:sc= -0.143 F(o=-1,f=-0.14) USER MOD Single : A 415 THR OG1 : rot -130:sc= -0.442 USER MOD Single : A 423 TYR OH : rot 180:sc= 0.273 USER MOD Single : A 426 SER OG : rot -36:sc= 0.573 USER MOD Single : A 427 CYS SG : rot 167:sc= -10.7! USER MOD Single : A 428 TYR OH : rot -75:sc= 0.096 USER MOD Single : A 430 LYS NZ :NH3+ 165:sc= -0.0373 (180deg=-0.26) USER MOD Single : A 431 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.2!) USER MOD Single : A 433 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.063) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.1) USER MOD Single : A 442 THR OG1 : rot 180:sc=0.000805 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -34.481 41.237 14.765 1.00 0.00 N ATOM 2 CA GLY A -2 -34.281 39.932 15.462 1.00 0.00 C ATOM 3 C GLY A -2 -32.803 39.618 15.656 1.00 0.00 C ATOM 4 O GLY A -2 -31.950 40.470 15.384 1.00 0.00 O ATOM 0 H1 GLY A -2 -35.214 41.786 15.259 1.00 0.00 H new ATOM 0 H2 GLY A -2 -33.589 41.771 14.766 1.00 0.00 H new ATOM 0 H3 GLY A -2 -34.780 41.064 13.784 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -34.778 39.957 16.432 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -34.750 39.135 14.884 1.00 0.00 H new ATOM 10 N SER A -1 -32.499 38.417 16.123 1.00 0.00 N ATOM 11 CA SER A -1 -31.120 37.992 16.300 1.00 0.00 C ATOM 12 C SER A -1 -30.542 37.548 14.954 1.00 0.00 C ATOM 13 O SER A -1 -30.756 36.426 14.495 1.00 0.00 O ATOM 14 CB SER A -1 -31.061 36.838 17.330 1.00 0.00 C ATOM 15 OG SER A -1 -31.655 37.228 18.557 1.00 0.00 O ATOM 0 H SER A -1 -33.192 37.717 16.387 1.00 0.00 H new ATOM 0 HA SER A -1 -30.524 38.824 16.676 1.00 0.00 H new ATOM 0 HB2 SER A -1 -31.576 35.963 16.933 1.00 0.00 H new ATOM 0 HB3 SER A -1 -30.024 36.548 17.499 1.00 0.00 H new ATOM 0 HG SER A -1 -31.609 36.484 19.194 1.00 0.00 H new ATOM 21 N LYS A 360 -29.830 38.477 14.294 1.00 0.00 N ATOM 22 CA LYS A 360 -29.227 38.185 12.985 1.00 0.00 C ATOM 23 C LYS A 360 -27.977 37.319 13.144 1.00 0.00 C ATOM 24 O LYS A 360 -26.858 37.842 13.266 1.00 0.00 O ATOM 25 CB LYS A 360 -28.895 39.482 12.238 1.00 0.00 C ATOM 26 CG LYS A 360 -30.124 40.275 11.791 1.00 0.00 C ATOM 27 CD LYS A 360 -30.913 39.543 10.726 1.00 0.00 C ATOM 28 CE LYS A 360 -32.196 40.280 10.353 1.00 0.00 C ATOM 29 NZ LYS A 360 -32.962 39.565 9.303 1.00 0.00 N ATOM 0 H LYS A 360 -29.660 39.422 14.639 1.00 0.00 H new ATOM 0 HA LYS A 360 -29.954 37.628 12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 360 -28.283 40.113 12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 360 -28.293 39.241 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 360 -30.766 40.465 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 360 -29.810 41.245 11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 360 -30.294 39.421 9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 360 -31.160 38.543 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 360 -32.818 40.396 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 360 -31.950 41.282 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 -33.826 40.099 9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 -32.378 39.476 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 -33.220 38.618 9.646 1.00 0.00 H new ATOM 43 N ALA A 361 -28.183 36.011 13.168 1.00 0.00 N ATOM 44 CA ALA A 361 -27.092 35.051 13.304 1.00 0.00 C ATOM 45 C ALA A 361 -26.319 34.953 11.997 1.00 0.00 C ATOM 46 O ALA A 361 -26.811 34.400 11.020 1.00 0.00 O ATOM 47 CB ALA A 361 -27.628 33.690 13.718 1.00 0.00 C ATOM 0 H ALA A 361 -29.106 35.584 13.094 1.00 0.00 H new ATOM 0 HA ALA A 361 -26.413 35.397 14.083 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -26.801 32.987 13.815 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -28.143 33.777 14.675 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -28.325 33.328 12.962 1.00 0.00 H new ATOM 53 N THR A 362 -25.121 35.504 11.966 1.00 0.00 N ATOM 54 CA THR A 362 -24.249 35.421 10.806 1.00 0.00 C ATOM 55 C THR A 362 -23.400 34.149 10.877 1.00 0.00 C ATOM 56 O THR A 362 -22.554 34.005 11.770 1.00 0.00 O ATOM 57 CB THR A 362 -23.344 36.663 10.705 1.00 0.00 C ATOM 58 OG1 THR A 362 -22.760 36.954 11.980 1.00 0.00 O ATOM 59 CG2 THR A 362 -24.122 37.876 10.203 1.00 0.00 C ATOM 0 H THR A 362 -24.722 36.024 12.747 1.00 0.00 H new ATOM 0 HA THR A 362 -24.871 35.383 9.912 1.00 0.00 H new ATOM 0 HB THR A 362 -22.554 36.444 9.987 1.00 0.00 H new ATOM 0 HG1 THR A 362 -22.528 36.116 12.433 1.00 0.00 H new ATOM 0 HG21 THR A 362 -23.455 38.736 10.143 1.00 0.00 H new ATOM 0 HG22 THR A 362 -24.530 37.663 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 362 -24.937 38.096 10.892 1.00 0.00 H new ATOM 67 N ASP A 363 -23.637 33.217 9.949 1.00 0.00 N ATOM 68 CA ASP A 363 -23.006 31.904 9.992 1.00 0.00 C ATOM 69 C ASP A 363 -21.607 31.950 9.380 1.00 0.00 C ATOM 70 O ASP A 363 -21.207 32.930 8.761 1.00 0.00 O ATOM 71 CB ASP A 363 -23.858 30.872 9.222 1.00 0.00 C ATOM 72 CG ASP A 363 -25.244 30.694 9.806 1.00 0.00 C ATOM 73 OD1 ASP A 363 -25.413 29.885 10.756 1.00 0.00 O ATOM 74 OD2 ASP A 363 -26.191 31.361 9.339 1.00 0.00 O ATOM 0 H ASP A 363 -24.265 33.353 9.157 1.00 0.00 H new ATOM 0 HA ASP A 363 -22.928 31.608 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 363 -23.946 31.185 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 363 -23.343 29.911 9.223 1.00 0.00 H new ATOM 79 N SER A 364 -20.864 30.867 9.591 1.00 0.00 N ATOM 80 CA SER A 364 -19.582 30.662 8.923 1.00 0.00 C ATOM 81 C SER A 364 -19.777 29.673 7.771 1.00 0.00 C ATOM 82 O SER A 364 -20.377 28.610 7.990 1.00 0.00 O ATOM 83 CB SER A 364 -18.518 30.130 9.893 1.00 0.00 C ATOM 84 OG SER A 364 -17.222 30.162 9.349 1.00 0.00 O ATOM 0 H SER A 364 -21.130 30.113 10.224 1.00 0.00 H new ATOM 0 HA SER A 364 -19.230 31.622 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 364 -18.538 30.722 10.808 1.00 0.00 H new ATOM 0 HB3 SER A 364 -18.766 29.106 10.171 1.00 0.00 H new ATOM 0 HG SER A 364 -16.583 29.815 10.006 1.00 0.00 H new ATOM 90 N VAL A 365 -19.306 30.019 6.589 1.00 0.00 N ATOM 91 CA VAL A 365 -19.456 29.119 5.436 1.00 0.00 C ATOM 92 C VAL A 365 -18.583 27.874 5.617 1.00 0.00 C ATOM 93 O VAL A 365 -17.461 27.767 5.099 1.00 0.00 O ATOM 94 CB VAL A 365 -19.142 29.858 4.098 1.00 0.00 C ATOM 95 CG1 VAL A 365 -17.747 30.527 4.116 1.00 0.00 C ATOM 96 CG2 VAL A 365 -19.276 28.906 2.888 1.00 0.00 C ATOM 0 H VAL A 365 -18.824 30.896 6.392 1.00 0.00 H new ATOM 0 HA VAL A 365 -20.495 28.795 5.383 1.00 0.00 H new ATOM 0 HB VAL A 365 -19.883 30.651 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 365 -17.572 31.029 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 365 -17.704 31.257 4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 365 -16.981 29.767 4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 365 -19.051 29.450 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 365 -18.578 28.076 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 365 -20.294 28.519 2.840 1.00 0.00 H new ATOM 106 N LEU A 366 -19.085 26.927 6.404 1.00 0.00 N ATOM 107 CA LEU A 366 -18.345 25.706 6.717 1.00 0.00 C ATOM 108 C LEU A 366 -18.660 24.638 5.680 1.00 0.00 C ATOM 109 O LEU A 366 -17.857 23.705 5.460 1.00 0.00 O ATOM 110 CB LEU A 366 -18.676 25.244 8.151 1.00 0.00 C ATOM 111 CG LEU A 366 -20.175 25.147 8.526 1.00 0.00 C ATOM 112 CD1 LEU A 366 -20.839 23.921 7.910 1.00 0.00 C ATOM 113 CD2 LEU A 366 -20.354 25.159 10.031 1.00 0.00 C ATOM 0 H LEU A 366 -20.006 26.981 6.839 1.00 0.00 H new ATOM 0 HA LEU A 366 -17.273 25.898 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 366 -18.223 24.264 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 366 -18.195 25.930 8.848 1.00 0.00 H new ATOM 0 HG LEU A 366 -20.671 26.025 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 366 -21.890 23.892 8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 366 -20.763 23.973 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 366 -20.340 23.020 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 366 -21.415 25.090 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 366 -19.827 24.310 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 366 -19.949 26.085 10.438 1.00 0.00 H new ATOM 125 N GLN A 367 -19.816 24.753 5.039 1.00 0.00 N ATOM 126 CA GLN A 367 -20.244 23.815 4.019 1.00 0.00 C ATOM 127 C GLN A 367 -19.601 24.166 2.679 1.00 0.00 C ATOM 128 O GLN A 367 -20.135 24.929 1.876 1.00 0.00 O ATOM 129 CB GLN A 367 -21.763 23.811 3.900 1.00 0.00 C ATOM 130 CG GLN A 367 -22.318 22.777 2.925 1.00 0.00 C ATOM 131 CD GLN A 367 -21.937 21.348 3.302 1.00 0.00 C ATOM 132 OE1 GLN A 367 -22.628 20.695 4.091 1.00 0.00 O ATOM 133 NE2 GLN A 367 -20.864 20.860 2.728 1.00 0.00 N ATOM 0 H GLN A 367 -20.483 25.504 5.216 1.00 0.00 H new ATOM 0 HA GLN A 367 -19.922 22.814 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -22.192 23.629 4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -22.093 24.801 3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -23.404 22.862 2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -21.950 22.994 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -20.324 21.436 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -20.569 19.904 2.927 1.00 0.00 H new ATOM 142 N GLY A 368 -18.411 23.613 2.469 1.00 0.00 N ATOM 143 CA GLY A 368 -17.648 23.881 1.263 1.00 0.00 C ATOM 144 C GLY A 368 -16.722 22.726 0.925 1.00 0.00 C ATOM 145 O GLY A 368 -15.590 22.921 0.504 1.00 0.00 O ATOM 0 H GLY A 368 -17.956 22.975 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -18.330 24.058 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -17.063 24.791 1.395 1.00 0.00 H new ATOM 149 N SER A 369 -17.244 21.524 1.123 1.00 0.00 N ATOM 150 CA SER A 369 -16.482 20.297 0.904 1.00 0.00 C ATOM 151 C SER A 369 -16.816 19.674 -0.450 1.00 0.00 C ATOM 152 O SER A 369 -16.033 18.901 -0.997 1.00 0.00 O ATOM 153 CB SER A 369 -16.785 19.320 2.042 1.00 0.00 C ATOM 154 OG SER A 369 -18.168 19.359 2.380 1.00 0.00 O ATOM 0 H SER A 369 -18.202 21.369 1.438 1.00 0.00 H new ATOM 0 HA SER A 369 -15.417 20.531 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 369 -16.506 18.309 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 369 -16.184 19.573 2.916 1.00 0.00 H new ATOM 0 HG SER A 369 -18.345 18.727 3.108 1.00 0.00 H new ATOM 160 N GLU A 370 -17.967 20.042 -0.998 1.00 0.00 N ATOM 161 CA GLU A 370 -18.405 19.507 -2.294 1.00 0.00 C ATOM 162 C GLU A 370 -17.623 20.174 -3.431 1.00 0.00 C ATOM 163 O GLU A 370 -18.092 21.122 -4.063 1.00 0.00 O ATOM 164 CB GLU A 370 -19.930 19.654 -2.503 1.00 0.00 C ATOM 165 CG GLU A 370 -20.528 20.995 -2.087 1.00 0.00 C ATOM 166 CD GLU A 370 -20.764 21.110 -0.573 1.00 0.00 C ATOM 167 OE1 GLU A 370 -21.732 20.513 -0.083 1.00 0.00 O ATOM 168 OE2 GLU A 370 -19.968 21.788 0.110 1.00 0.00 O ATOM 0 H GLU A 370 -18.616 20.705 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 370 -18.192 18.438 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -20.151 19.490 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -20.433 18.864 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -19.862 21.797 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -21.475 21.140 -2.608 1.00 0.00 H new ATOM 175 N GLY A 371 -16.405 19.685 -3.634 1.00 0.00 N ATOM 176 CA GLY A 371 -15.569 20.095 -4.744 1.00 0.00 C ATOM 177 C GLY A 371 -14.702 18.942 -5.196 1.00 0.00 C ATOM 178 O GLY A 371 -15.188 18.024 -5.855 1.00 0.00 O ATOM 0 H GLY A 371 -15.972 18.989 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -16.191 20.438 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -14.943 20.936 -4.446 1.00 0.00 H new ATOM 182 N ASN A 372 -13.422 18.962 -4.826 1.00 0.00 N ATOM 183 CA ASN A 372 -12.553 17.811 -5.040 1.00 0.00 C ATOM 184 C ASN A 372 -12.798 16.762 -3.944 1.00 0.00 C ATOM 185 O ASN A 372 -12.298 16.901 -2.828 1.00 0.00 O ATOM 186 CB ASN A 372 -11.062 18.185 -5.071 1.00 0.00 C ATOM 187 CG ASN A 372 -10.644 19.009 -6.297 1.00 0.00 C ATOM 188 OD1 ASN A 372 -11.275 18.773 -7.427 1.00 0.00 O flip ATOM 189 ND2 ASN A 372 -9.741 19.850 -6.207 1.00 0.00 N flip ATOM 0 H ASN A 372 -12.968 19.759 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 372 -12.803 17.403 -6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -10.822 18.749 -4.170 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -10.469 17.271 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -9.275 20.004 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -9.462 20.389 -7.027 1.00 0.00 H new ATOM 196 N LYS A 373 -13.604 15.754 -4.273 1.00 0.00 N ATOM 197 CA LYS A 373 -13.970 14.722 -3.304 1.00 0.00 C ATOM 198 C LYS A 373 -13.016 13.529 -3.418 1.00 0.00 C ATOM 199 O LYS A 373 -12.945 12.692 -2.508 1.00 0.00 O ATOM 200 CB LYS A 373 -15.443 14.244 -3.467 1.00 0.00 C ATOM 201 CG LYS A 373 -15.743 13.426 -4.731 1.00 0.00 C ATOM 202 CD LYS A 373 -15.791 14.267 -6.009 1.00 0.00 C ATOM 203 CE LYS A 373 -16.805 15.407 -5.888 1.00 0.00 C ATOM 204 NZ LYS A 373 -16.816 16.265 -7.109 1.00 0.00 N ATOM 0 H LYS A 373 -14.014 15.630 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 373 -13.884 15.169 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.709 13.644 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -16.092 15.120 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -14.982 12.654 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -16.698 12.916 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -14.802 14.677 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -16.054 13.632 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -17.800 14.994 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -16.566 16.016 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -17.766 16.665 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -16.128 17.037 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -16.561 15.692 -7.938 1.00 0.00 H new ATOM 218 N VAL A 374 -12.304 13.472 -4.529 1.00 0.00 N ATOM 219 CA VAL A 374 -11.318 12.413 -4.762 1.00 0.00 C ATOM 220 C VAL A 374 -9.922 13.010 -4.825 1.00 0.00 C ATOM 221 O VAL A 374 -9.741 14.185 -5.161 1.00 0.00 O ATOM 222 CB VAL A 374 -11.617 11.625 -6.085 1.00 0.00 C ATOM 223 CG1 VAL A 374 -12.984 10.992 -6.046 1.00 0.00 C ATOM 224 CG2 VAL A 374 -11.461 12.519 -7.296 1.00 0.00 C ATOM 0 H VAL A 374 -12.385 14.145 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 374 -11.381 11.711 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 374 -10.885 10.822 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -13.162 10.453 -6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -13.039 10.297 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -13.741 11.767 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -11.674 11.948 -8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -12.156 13.355 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.440 12.899 -7.339 1.00 0.00 H new ATOM 234 N LYS A 375 -8.922 12.191 -4.482 1.00 0.00 N ATOM 235 CA LYS A 375 -7.531 12.605 -4.560 1.00 0.00 C ATOM 236 C LYS A 375 -6.840 11.907 -5.725 1.00 0.00 C ATOM 237 O LYS A 375 -7.249 10.812 -6.118 1.00 0.00 O ATOM 238 CB LYS A 375 -6.811 12.311 -3.225 1.00 0.00 C ATOM 239 CG LYS A 375 -6.976 10.906 -2.654 1.00 0.00 C ATOM 240 CD LYS A 375 -6.093 9.891 -3.373 1.00 0.00 C ATOM 241 CE LYS A 375 -6.112 8.516 -2.677 1.00 0.00 C ATOM 242 NZ LYS A 375 -5.228 7.539 -3.368 1.00 0.00 N ATOM 0 H LYS A 375 -9.058 11.237 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 375 -7.488 13.680 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -5.746 12.499 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -7.167 13.025 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -6.729 10.914 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -8.019 10.601 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -6.432 9.781 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -5.069 10.264 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -5.792 8.628 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -7.132 8.133 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -5.266 6.626 -2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -5.549 7.414 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -4.250 7.894 -3.366 1.00 0.00 H new ATOM 256 N ARG A 376 -5.841 12.545 -6.290 1.00 0.00 N ATOM 257 CA ARG A 376 -5.051 11.949 -7.353 1.00 0.00 C ATOM 258 C ARG A 376 -3.977 11.050 -6.740 1.00 0.00 C ATOM 259 O ARG A 376 -3.841 10.966 -5.520 1.00 0.00 O ATOM 260 CB ARG A 376 -4.384 13.006 -8.244 1.00 0.00 C ATOM 261 CG ARG A 376 -5.286 13.557 -9.338 1.00 0.00 C ATOM 262 CD ARG A 376 -6.315 14.536 -8.806 1.00 0.00 C ATOM 263 NE ARG A 376 -5.702 15.651 -8.070 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.221 16.205 -6.972 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.387 15.788 -6.499 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.572 17.181 -6.340 1.00 0.00 N ATOM 0 H ARG A 376 -5.551 13.488 -6.030 1.00 0.00 H new ATOM 0 HA ARG A 376 -5.726 11.368 -7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.045 13.831 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.497 12.570 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.675 14.052 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.797 12.731 -9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.900 14.931 -9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -7.008 14.009 -8.150 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.821 16.026 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.892 15.040 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.779 16.215 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.674 17.509 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.973 17.601 -5.501 1.00 0.00 H new ATOM 280 N THR A 377 -3.218 10.385 -7.594 1.00 0.00 N ATOM 281 CA THR A 377 -2.153 9.520 -7.149 1.00 0.00 C ATOM 282 C THR A 377 -0.796 10.186 -7.414 1.00 0.00 C ATOM 283 O THR A 377 -0.677 11.025 -8.312 1.00 0.00 O ATOM 284 CB THR A 377 -2.226 8.135 -7.842 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.224 7.247 -7.323 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.077 8.256 -9.342 1.00 0.00 C ATOM 0 H THR A 377 -3.326 10.432 -8.607 1.00 0.00 H new ATOM 0 HA THR A 377 -2.267 9.358 -6.077 1.00 0.00 H new ATOM 0 HB THR A 377 -3.211 7.720 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 377 -0.336 7.569 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.133 7.266 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.877 8.882 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.113 8.708 -9.577 1.00 0.00 H new ATOM 294 N SER A 378 0.216 9.830 -6.630 1.00 0.00 N ATOM 295 CA SER A 378 1.540 10.436 -6.734 1.00 0.00 C ATOM 296 C SER A 378 2.089 10.357 -8.159 1.00 0.00 C ATOM 297 O SER A 378 2.205 9.277 -8.724 1.00 0.00 O ATOM 298 CB SER A 378 2.507 9.740 -5.754 1.00 0.00 C ATOM 299 OG SER A 378 3.766 10.402 -5.708 1.00 0.00 O ATOM 0 H SER A 378 0.143 9.115 -5.906 1.00 0.00 H new ATOM 0 HA SER A 378 1.449 11.491 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.067 9.723 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 378 2.651 8.703 -6.057 1.00 0.00 H new ATOM 0 HG SER A 378 3.628 11.371 -5.757 1.00 0.00 H new ATOM 305 N CYS A 379 2.367 11.518 -8.771 1.00 0.00 N ATOM 306 CA CYS A 379 3.027 11.565 -10.071 1.00 0.00 C ATOM 307 C CYS A 379 4.312 10.761 -9.992 1.00 0.00 C ATOM 308 O CYS A 379 5.238 11.153 -9.291 1.00 0.00 O ATOM 309 CB CYS A 379 3.334 13.034 -10.474 1.00 0.00 C ATOM 310 SG CYS A 379 3.883 13.286 -12.212 1.00 0.00 S ATOM 0 H CYS A 379 2.142 12.433 -8.381 1.00 0.00 H new ATOM 0 HA CYS A 379 2.370 11.140 -10.830 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.439 13.633 -10.305 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.106 13.420 -9.809 1.00 0.00 H new ATOM 0 HG CYS A 379 4.827 14.179 -12.244 1.00 0.00 H new ATOM 315 N MET A 380 4.359 9.628 -10.676 1.00 0.00 N ATOM 316 CA MET A 380 5.497 8.729 -10.611 1.00 0.00 C ATOM 317 C MET A 380 6.799 9.420 -11.042 1.00 0.00 C ATOM 318 O MET A 380 7.898 8.893 -10.847 1.00 0.00 O ATOM 319 CB MET A 380 5.245 7.488 -11.497 1.00 0.00 C ATOM 320 CG MET A 380 5.306 7.778 -12.986 1.00 0.00 C ATOM 321 SD MET A 380 4.956 6.342 -14.016 1.00 0.00 S ATOM 322 CE MET A 380 3.202 6.150 -13.750 1.00 0.00 C ATOM 0 H MET A 380 3.610 9.308 -11.290 1.00 0.00 H new ATOM 0 HA MET A 380 5.612 8.421 -9.572 1.00 0.00 H new ATOM 0 HB2 MET A 380 5.983 6.723 -11.254 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.266 7.074 -11.256 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.593 8.567 -13.223 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.297 8.159 -13.233 1.00 0.00 H new ATOM 0 HE1 MET A 380 2.796 5.458 -14.488 1.00 0.00 H new ATOM 0 HE2 MET A 380 3.027 5.757 -12.749 1.00 0.00 H new ATOM 0 HE3 MET A 380 2.711 7.118 -13.851 1.00 0.00 H new ATOM 332 N TYR A 381 6.672 10.602 -11.642 1.00 0.00 N ATOM 333 CA TYR A 381 7.852 11.397 -12.024 1.00 0.00 C ATOM 334 C TYR A 381 7.939 12.641 -11.123 1.00 0.00 C ATOM 335 O TYR A 381 8.977 13.308 -11.082 1.00 0.00 O ATOM 336 CB TYR A 381 7.762 11.868 -13.478 1.00 0.00 C ATOM 337 CG TYR A 381 7.309 10.814 -14.471 1.00 0.00 C ATOM 338 CD1 TYR A 381 8.218 9.949 -15.076 1.00 0.00 C ATOM 339 CD2 TYR A 381 5.961 10.717 -14.818 1.00 0.00 C ATOM 340 CE1 TYR A 381 7.791 9.003 -16.006 1.00 0.00 C ATOM 341 CE2 TYR A 381 5.537 9.781 -15.737 1.00 0.00 C ATOM 342 CZ TYR A 381 6.441 8.931 -16.327 1.00 0.00 C ATOM 343 OH TYR A 381 5.992 8.016 -17.250 1.00 0.00 O ATOM 0 H TYR A 381 5.777 11.032 -11.875 1.00 0.00 H new ATOM 0 HA TYR A 381 8.733 10.765 -11.909 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.073 12.711 -13.528 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.741 12.237 -13.785 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.266 10.012 -14.821 1.00 0.00 H new ATOM 0 HD2 TYR A 381 5.242 11.382 -14.362 1.00 0.00 H new ATOM 0 HE1 TYR A 381 8.500 8.334 -16.471 1.00 0.00 H new ATOM 0 HE2 TYR A 381 4.490 9.716 -15.994 1.00 0.00 H new ATOM 0 HH TYR A 381 5.021 8.103 -17.352 1.00 0.00 H new ATOM 353 N GLY A 382 6.834 12.954 -10.437 1.00 0.00 N ATOM 354 CA GLY A 382 6.770 14.177 -9.662 1.00 0.00 C ATOM 355 C GLY A 382 6.655 15.377 -10.579 1.00 0.00 C ATOM 356 O GLY A 382 5.868 15.347 -11.528 1.00 0.00 O ATOM 0 H GLY A 382 5.990 12.382 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.914 14.143 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.662 14.269 -9.042 1.00 0.00 H new ATOM 360 N ALA A 383 7.451 16.413 -10.326 1.00 0.00 N ATOM 361 CA ALA A 383 7.459 17.610 -11.174 1.00 0.00 C ATOM 362 C ALA A 383 8.444 17.461 -12.333 1.00 0.00 C ATOM 363 O ALA A 383 8.564 18.324 -13.185 1.00 0.00 O ATOM 364 CB ALA A 383 7.821 18.834 -10.330 1.00 0.00 C ATOM 0 H ALA A 383 8.101 16.451 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 383 6.463 17.739 -11.596 1.00 0.00 H new ATOM 0 HB1 ALA A 383 7.827 19.723 -10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.086 18.958 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 383 8.809 18.694 -9.892 1.00 0.00 H new ATOM 370 N ASN A 384 9.115 16.307 -12.358 1.00 0.00 N ATOM 371 CA ASN A 384 10.125 16.031 -13.383 1.00 0.00 C ATOM 372 C ASN A 384 9.464 15.696 -14.707 1.00 0.00 C ATOM 373 O ASN A 384 10.075 15.872 -15.764 1.00 0.00 O ATOM 374 CB ASN A 384 11.010 14.876 -12.927 1.00 0.00 C ATOM 375 CG ASN A 384 11.786 15.213 -11.661 1.00 0.00 C ATOM 376 OD1 ASN A 384 12.919 15.699 -11.725 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.181 14.937 -10.514 1.00 0.00 N ATOM 0 H ASN A 384 8.979 15.553 -11.685 1.00 0.00 H new ATOM 0 HA ASN A 384 10.738 16.921 -13.525 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.393 13.995 -12.749 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.709 14.620 -13.723 1.00 0.00 H new ATOM 0 HD21 ASN A 384 11.653 15.126 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.243 14.536 -10.516 1.00 0.00 H new ATOM 384 N CYS A 385 8.223 15.204 -14.675 1.00 0.00 N ATOM 385 CA CYS A 385 7.506 14.836 -15.881 1.00 0.00 C ATOM 386 C CYS A 385 7.308 16.048 -16.799 1.00 0.00 C ATOM 387 O CYS A 385 6.825 17.111 -16.353 1.00 0.00 O ATOM 388 CB CYS A 385 6.165 14.186 -15.530 1.00 0.00 C ATOM 389 SG CYS A 385 5.398 14.808 -14.009 1.00 0.00 S ATOM 0 H CYS A 385 7.697 15.053 -13.814 1.00 0.00 H new ATOM 0 HA CYS A 385 8.107 14.107 -16.425 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.474 14.340 -16.359 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.312 13.110 -15.433 1.00 0.00 H new ATOM 0 HG CYS A 385 4.338 14.105 -13.738 1.00 0.00 H new ATOM 394 N TYR A 386 7.660 15.892 -18.069 1.00 0.00 N ATOM 395 CA TYR A 386 7.531 16.951 -19.067 1.00 0.00 C ATOM 396 C TYR A 386 6.060 17.180 -19.403 1.00 0.00 C ATOM 397 O TYR A 386 5.718 18.126 -20.115 1.00 0.00 O ATOM 398 CB TYR A 386 8.328 16.577 -20.344 1.00 0.00 C ATOM 399 CG TYR A 386 7.861 15.283 -21.004 1.00 0.00 C ATOM 400 CD1 TYR A 386 8.308 14.047 -20.557 1.00 0.00 C ATOM 401 CD2 TYR A 386 6.957 15.306 -22.066 1.00 0.00 C ATOM 402 CE1 TYR A 386 7.875 12.868 -21.148 1.00 0.00 C ATOM 403 CE2 TYR A 386 6.521 14.146 -22.645 1.00 0.00 C ATOM 404 CZ TYR A 386 6.983 12.932 -22.189 1.00 0.00 C ATOM 405 OH TYR A 386 6.550 11.771 -22.776 1.00 0.00 O ATOM 0 H TYR A 386 8.045 15.023 -18.439 1.00 0.00 H new ATOM 0 HA TYR A 386 7.941 17.875 -18.659 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.246 17.391 -21.064 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.383 16.483 -20.088 1.00 0.00 H new ATOM 0 HD1 TYR A 386 9.006 14.002 -19.734 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.596 16.254 -22.437 1.00 0.00 H new ATOM 0 HE1 TYR A 386 8.235 11.914 -20.794 1.00 0.00 H new ATOM 0 HE2 TYR A 386 5.814 14.183 -23.460 1.00 0.00 H new ATOM 0 HH TYR A 386 6.773 11.010 -22.200 1.00 0.00 H new ATOM 415 N ARG A 387 5.206 16.307 -18.900 1.00 0.00 N ATOM 416 CA ARG A 387 3.766 16.425 -19.106 1.00 0.00 C ATOM 417 C ARG A 387 3.227 17.617 -18.324 1.00 0.00 C ATOM 418 O ARG A 387 3.248 17.627 -17.091 1.00 0.00 O ATOM 419 CB ARG A 387 3.068 15.134 -18.645 1.00 0.00 C ATOM 420 CG ARG A 387 3.620 13.854 -19.276 1.00 0.00 C ATOM 421 CD ARG A 387 3.353 13.785 -20.779 1.00 0.00 C ATOM 422 NE ARG A 387 3.904 12.560 -21.352 1.00 0.00 N ATOM 423 CZ ARG A 387 3.289 11.819 -22.287 1.00 0.00 C ATOM 424 NH1 ARG A 387 2.096 12.161 -22.734 1.00 0.00 N ATOM 425 NH2 ARG A 387 3.865 10.720 -22.728 1.00 0.00 N ATOM 0 H ARG A 387 5.484 15.501 -18.341 1.00 0.00 H new ATOM 0 HA ARG A 387 3.567 16.578 -20.167 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.155 15.056 -17.561 1.00 0.00 H new ATOM 0 HB3 ARG A 387 2.005 15.208 -18.875 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.694 13.798 -19.097 1.00 0.00 H new ATOM 0 HG3 ARG A 387 3.170 12.989 -18.789 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.280 13.826 -20.964 1.00 0.00 H new ATOM 0 HD3 ARG A 387 3.795 14.652 -21.271 1.00 0.00 H new ATOM 0 HE ARG A 387 4.816 12.247 -21.020 1.00 0.00 H new ATOM 0 HH11 ARG A 387 1.634 12.994 -22.369 1.00 0.00 H new ATOM 0 HH12 ARG A 387 1.635 11.593 -23.445 1.00 0.00 H new ATOM 0 HH21 ARG A 387 4.773 10.437 -22.359 1.00 0.00 H new ATOM 0 HH22 ARG A 387 3.403 10.152 -23.438 1.00 0.00 H new ATOM 439 N LYS A 388 2.762 18.643 -19.046 1.00 0.00 N ATOM 440 CA LYS A 388 2.217 19.848 -18.429 1.00 0.00 C ATOM 441 C LYS A 388 0.732 19.931 -18.731 1.00 0.00 C ATOM 442 O LYS A 388 0.039 20.861 -18.288 1.00 0.00 O ATOM 443 CB LYS A 388 2.942 21.125 -18.909 1.00 0.00 C ATOM 444 CG LYS A 388 2.844 21.419 -20.407 1.00 0.00 C ATOM 445 CD LYS A 388 3.860 20.628 -21.236 1.00 0.00 C ATOM 446 CE LYS A 388 5.299 20.930 -20.819 1.00 0.00 C ATOM 447 NZ LYS A 388 5.660 22.368 -21.002 1.00 0.00 N ATOM 0 H LYS A 388 2.755 18.658 -20.066 1.00 0.00 H new ATOM 0 HA LYS A 388 2.374 19.784 -17.352 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.538 21.977 -18.363 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.996 21.045 -18.641 1.00 0.00 H new ATOM 0 HG2 LYS A 388 1.838 21.184 -20.753 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.997 22.485 -20.574 1.00 0.00 H new ATOM 0 HD2 LYS A 388 3.667 19.561 -21.124 1.00 0.00 H new ATOM 0 HD3 LYS A 388 3.731 20.867 -22.292 1.00 0.00 H new ATOM 0 HE2 LYS A 388 5.436 20.655 -19.773 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.980 20.311 -21.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 6.672 22.500 -20.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.460 22.654 -21.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.099 22.952 -20.350 1.00 0.00 H new ATOM 461 N ASN A 389 0.251 18.962 -19.492 1.00 0.00 N ATOM 462 CA ASN A 389 -1.181 18.835 -19.796 1.00 0.00 C ATOM 463 C ASN A 389 -1.980 18.627 -18.511 1.00 0.00 C ATOM 464 O ASN A 389 -1.576 17.858 -17.639 1.00 0.00 O ATOM 465 CB ASN A 389 -1.403 17.644 -20.742 1.00 0.00 C ATOM 466 CG ASN A 389 -0.856 16.340 -20.207 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.174 16.317 -19.542 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.547 15.250 -20.481 1.00 0.00 N ATOM 0 H ASN A 389 0.832 18.240 -19.919 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.522 19.752 -20.277 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.471 17.532 -20.928 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.933 17.860 -21.702 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.229 14.344 -20.136 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.399 15.313 -21.038 1.00 0.00 H new ATOM 475 N PRO A 390 -3.126 19.305 -18.376 1.00 0.00 N ATOM 476 CA PRO A 390 -3.957 19.218 -17.177 1.00 0.00 C ATOM 477 C PRO A 390 -4.402 17.784 -16.900 1.00 0.00 C ATOM 478 O PRO A 390 -4.757 17.425 -15.770 1.00 0.00 O ATOM 479 CB PRO A 390 -5.150 20.134 -17.482 1.00 0.00 C ATOM 480 CG PRO A 390 -5.188 20.286 -18.970 1.00 0.00 C ATOM 481 CD PRO A 390 -3.742 20.172 -19.406 1.00 0.00 C ATOM 0 HA PRO A 390 -3.420 19.521 -16.278 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.079 19.701 -17.111 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.033 21.102 -16.994 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -5.803 19.513 -19.431 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.614 21.247 -19.259 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.658 19.733 -20.400 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.259 21.148 -19.447 1.00 0.00 H new ATOM 489 N VAL A 391 -4.360 16.960 -17.956 1.00 0.00 N ATOM 490 CA VAL A 391 -4.714 15.552 -17.844 1.00 0.00 C ATOM 491 C VAL A 391 -3.698 14.818 -16.955 1.00 0.00 C ATOM 492 O VAL A 391 -4.069 14.038 -16.094 1.00 0.00 O ATOM 493 CB VAL A 391 -4.802 14.909 -19.222 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.139 13.403 -19.104 1.00 0.00 C ATOM 495 CG2 VAL A 391 -5.852 15.632 -20.074 1.00 0.00 C ATOM 0 H VAL A 391 -4.084 17.251 -18.894 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.696 15.474 -17.377 1.00 0.00 H new ATOM 0 HB VAL A 391 -3.832 15.000 -19.710 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.197 12.964 -20.100 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.361 12.900 -18.530 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.097 13.283 -18.598 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -5.907 15.165 -21.057 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -6.824 15.567 -19.586 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -5.572 16.679 -20.185 1.00 0.00 H new ATOM 505 N HIS A 392 -2.416 15.129 -17.149 1.00 0.00 N ATOM 506 CA HIS A 392 -1.373 14.526 -16.327 1.00 0.00 C ATOM 507 C HIS A 392 -1.617 14.815 -14.853 1.00 0.00 C ATOM 508 O HIS A 392 -1.350 13.992 -13.981 1.00 0.00 O ATOM 509 CB HIS A 392 0.001 15.034 -16.757 1.00 0.00 C ATOM 510 CG HIS A 392 1.149 14.479 -15.946 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.513 13.148 -15.933 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.994 15.104 -15.100 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.560 13.018 -15.108 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.896 14.189 -14.571 1.00 0.00 N ATOM 0 H HIS A 392 -2.081 15.784 -17.856 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.401 13.446 -16.469 1.00 0.00 H new ATOM 0 HB2 HIS A 392 0.157 14.782 -17.806 1.00 0.00 H new ATOM 0 HB3 HIS A 392 0.013 16.122 -16.685 1.00 0.00 H new ATOM 0 HD1 HIS A 392 1.065 12.397 -16.458 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.972 16.159 -14.868 1.00 0.00 H new ATOM 0 HE1 HIS A 392 3.065 12.085 -14.905 1.00 0.00 H new ATOM 522 N PHE A 393 -2.181 16.008 -14.599 1.00 0.00 N ATOM 523 CA PHE A 393 -2.437 16.479 -13.229 1.00 0.00 C ATOM 524 C PHE A 393 -3.816 16.027 -12.746 1.00 0.00 C ATOM 525 O PHE A 393 -4.075 16.001 -11.540 1.00 0.00 O ATOM 526 CB PHE A 393 -2.331 18.008 -13.171 1.00 0.00 C ATOM 527 CG PHE A 393 -0.963 18.524 -13.533 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.510 18.523 -14.845 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.116 19.009 -12.538 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.765 18.985 -15.166 1.00 0.00 C ATOM 531 CE2 PHE A 393 1.139 19.482 -12.850 1.00 0.00 C ATOM 532 CZ PHE A 393 1.579 19.464 -14.171 1.00 0.00 C ATOM 0 H PHE A 393 -2.468 16.664 -15.326 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.686 16.044 -12.570 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.067 18.442 -13.848 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.585 18.345 -12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.156 18.158 -15.630 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.448 19.014 -11.510 1.00 0.00 H new ATOM 0 HE1 PHE A 393 1.109 18.966 -16.189 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.781 19.866 -12.071 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.566 19.829 -14.414 1.00 0.00 H new ATOM 542 N GLN A 394 -4.689 15.661 -13.688 1.00 0.00 N ATOM 543 CA GLN A 394 -6.042 15.244 -13.336 1.00 0.00 C ATOM 544 C GLN A 394 -6.035 13.824 -12.743 1.00 0.00 C ATOM 545 O GLN A 394 -6.918 13.472 -11.960 1.00 0.00 O ATOM 546 CB GLN A 394 -6.987 15.353 -14.564 1.00 0.00 C ATOM 547 CG GLN A 394 -6.978 14.151 -15.524 1.00 0.00 C ATOM 548 CD GLN A 394 -8.003 13.084 -15.173 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.725 12.129 -14.438 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.211 13.234 -15.687 1.00 0.00 N ATOM 0 H GLN A 394 -4.484 15.646 -14.687 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.426 15.916 -12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.005 15.498 -14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.718 16.246 -15.128 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.167 14.505 -16.538 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -5.984 13.703 -15.523 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.413 14.031 -16.290 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.941 12.553 -15.480 1.00 0.00 H new ATOM 559 N HIS A 395 -5.043 13.033 -13.132 1.00 0.00 N ATOM 560 CA HIS A 395 -4.895 11.678 -12.585 1.00 0.00 C ATOM 561 C HIS A 395 -3.619 11.525 -11.749 1.00 0.00 C ATOM 562 O HIS A 395 -3.436 10.503 -11.087 1.00 0.00 O ATOM 563 CB HIS A 395 -4.967 10.573 -13.666 1.00 0.00 C ATOM 564 CG HIS A 395 -4.390 10.935 -15.008 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.062 11.143 -15.227 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.990 11.059 -16.212 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.849 11.370 -16.502 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.999 11.330 -17.130 1.00 0.00 N ATOM 0 H HIS A 395 -4.333 13.296 -13.816 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.753 11.542 -11.927 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.446 9.691 -13.293 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.011 10.292 -13.804 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -2.340 11.125 -14.507 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -6.046 10.964 -16.416 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.888 11.558 -16.957 1.00 0.00 H new ATOM 577 N PHE A 396 -2.760 12.539 -11.746 1.00 0.00 N ATOM 578 CA PHE A 396 -1.565 12.525 -10.870 1.00 0.00 C ATOM 579 C PHE A 396 -1.362 13.869 -10.171 1.00 0.00 C ATOM 580 O PHE A 396 -1.404 14.931 -10.801 1.00 0.00 O ATOM 581 CB PHE A 396 -0.275 12.193 -11.662 1.00 0.00 C ATOM 582 CG PHE A 396 -0.228 10.784 -12.196 1.00 0.00 C ATOM 583 CD1 PHE A 396 0.269 9.746 -11.421 1.00 0.00 C ATOM 584 CD2 PHE A 396 -0.692 10.492 -13.458 1.00 0.00 C ATOM 585 CE1 PHE A 396 0.298 8.455 -11.906 1.00 0.00 C ATOM 586 CE2 PHE A 396 -0.667 9.203 -13.955 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.167 8.179 -13.172 1.00 0.00 C ATOM 0 H PHE A 396 -2.854 13.373 -12.325 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.748 11.748 -10.127 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.183 12.890 -12.495 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.588 12.354 -11.015 1.00 0.00 H new ATOM 0 HD1 PHE A 396 0.637 9.951 -10.427 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -1.084 11.288 -14.074 1.00 0.00 H new ATOM 0 HE1 PHE A 396 0.687 7.658 -11.290 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -1.036 8.997 -14.949 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.141 7.168 -13.551 1.00 0.00 H new ATOM 597 N SER A 397 -1.135 13.805 -8.866 1.00 0.00 N ATOM 598 CA SER A 397 -0.803 14.984 -8.070 1.00 0.00 C ATOM 599 C SER A 397 0.700 15.242 -8.139 1.00 0.00 C ATOM 600 O SER A 397 1.489 14.313 -8.361 1.00 0.00 O ATOM 601 CB SER A 397 -1.227 14.773 -6.615 1.00 0.00 C ATOM 602 OG SER A 397 -2.634 14.706 -6.496 1.00 0.00 O ATOM 0 H SER A 397 -1.175 12.939 -8.329 1.00 0.00 H new ATOM 0 HA SER A 397 -1.336 15.846 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.783 13.853 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 397 -0.846 15.589 -6.001 1.00 0.00 H new ATOM 0 HG SER A 397 -2.990 15.601 -6.317 1.00 0.00 H new ATOM 608 N HIS A 398 1.088 16.503 -7.944 1.00 0.00 N ATOM 609 CA HIS A 398 2.486 16.923 -8.081 1.00 0.00 C ATOM 610 C HIS A 398 2.941 17.681 -6.836 1.00 0.00 C ATOM 611 O HIS A 398 2.116 18.199 -6.091 1.00 0.00 O ATOM 612 CB HIS A 398 2.652 17.777 -9.346 1.00 0.00 C ATOM 613 CG HIS A 398 2.515 16.971 -10.590 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.364 16.312 -10.939 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.444 16.643 -11.518 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.620 15.600 -12.037 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.871 15.763 -12.437 1.00 0.00 N ATOM 0 H HIS A 398 0.450 17.257 -7.689 1.00 0.00 H new ATOM 0 HA HIS A 398 3.117 16.040 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 398 1.906 18.572 -9.346 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.630 18.258 -9.332 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.472 16.358 -10.447 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.462 17.003 -11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.898 14.970 -12.536 1.00 0.00 H new ATOM 625 N PRO A 399 4.265 17.745 -6.589 1.00 0.00 N ATOM 626 CA PRO A 399 4.829 18.469 -5.445 1.00 0.00 C ATOM 627 C PRO A 399 4.330 19.910 -5.391 1.00 0.00 C ATOM 628 O PRO A 399 4.795 20.788 -6.134 1.00 0.00 O ATOM 629 CB PRO A 399 6.354 18.433 -5.678 1.00 0.00 C ATOM 630 CG PRO A 399 6.487 18.058 -7.124 1.00 0.00 C ATOM 631 CD PRO A 399 5.339 17.129 -7.400 1.00 0.00 C ATOM 0 HA PRO A 399 4.536 18.017 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.813 19.400 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.841 17.704 -5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.443 18.939 -7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.443 17.571 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.085 17.093 -8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.554 16.107 -7.089 1.00 0.00 H new ATOM 639 N GLY A 400 3.349 20.141 -4.523 1.00 0.00 N ATOM 640 CA GLY A 400 2.706 21.444 -4.431 1.00 0.00 C ATOM 641 C GLY A 400 1.221 21.360 -4.743 1.00 0.00 C ATOM 642 O GLY A 400 0.558 22.369 -4.971 1.00 0.00 O ATOM 0 H GLY A 400 2.984 19.443 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.845 21.849 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.185 22.136 -5.124 1.00 0.00 H new ATOM 646 N ASP A 401 0.705 20.133 -4.800 1.00 0.00 N ATOM 647 CA ASP A 401 -0.727 19.898 -5.013 1.00 0.00 C ATOM 648 C ASP A 401 -1.381 19.442 -3.713 1.00 0.00 C ATOM 649 O ASP A 401 -0.750 18.740 -2.911 1.00 0.00 O ATOM 650 CB ASP A 401 -0.938 18.851 -6.118 1.00 0.00 C ATOM 651 CG ASP A 401 -2.404 18.564 -6.403 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.052 19.353 -7.128 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.939 17.548 -5.906 1.00 0.00 O ATOM 0 H ASP A 401 1.258 19.282 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.194 20.831 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.458 19.197 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.443 17.924 -5.830 1.00 0.00 H new ATOM 658 N SER A 402 -2.620 19.857 -3.511 1.00 0.00 N ATOM 659 CA SER A 402 -3.367 19.583 -2.281 1.00 0.00 C ATOM 660 C SER A 402 -3.395 18.076 -1.968 1.00 0.00 C ATOM 661 O SER A 402 -3.354 17.675 -0.796 1.00 0.00 O ATOM 662 CB SER A 402 -4.808 20.142 -2.412 1.00 0.00 C ATOM 663 OG SER A 402 -5.593 19.847 -1.268 1.00 0.00 O ATOM 0 H SER A 402 -3.146 20.398 -4.197 1.00 0.00 H new ATOM 0 HA SER A 402 -2.864 20.080 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 402 -4.767 21.222 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.283 19.719 -3.298 1.00 0.00 H new ATOM 0 HG SER A 402 -6.493 20.216 -1.385 1.00 0.00 H new ATOM 669 N ASP A 403 -3.408 17.259 -3.020 1.00 0.00 N ATOM 670 CA ASP A 403 -3.564 15.821 -2.860 1.00 0.00 C ATOM 671 C ASP A 403 -2.278 15.055 -3.137 1.00 0.00 C ATOM 672 O ASP A 403 -2.304 13.836 -3.333 1.00 0.00 O ATOM 673 CB ASP A 403 -4.687 15.304 -3.771 1.00 0.00 C ATOM 674 CG ASP A 403 -6.055 15.782 -3.284 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.521 15.308 -2.230 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.670 16.644 -3.948 1.00 0.00 O ATOM 0 H ASP A 403 -3.313 17.570 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.824 15.646 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.520 15.649 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.667 14.214 -3.796 1.00 0.00 H new ATOM 681 N TYR A 404 -1.137 15.762 -3.127 1.00 0.00 N ATOM 682 CA TYR A 404 0.150 15.089 -3.355 1.00 0.00 C ATOM 683 C TYR A 404 0.652 14.435 -2.077 1.00 0.00 C ATOM 684 O TYR A 404 0.604 15.026 -0.991 1.00 0.00 O ATOM 685 CB TYR A 404 1.194 16.087 -3.872 1.00 0.00 C ATOM 686 CG TYR A 404 2.482 15.418 -4.298 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.517 14.576 -5.397 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.675 15.624 -3.592 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.683 13.959 -5.802 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.848 15.019 -3.984 1.00 0.00 C ATOM 691 CZ TYR A 404 4.846 14.189 -5.096 1.00 0.00 C ATOM 692 OH TYR A 404 6.021 13.570 -5.485 1.00 0.00 O ATOM 0 H TYR A 404 -1.078 16.768 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.004 14.315 -4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.778 16.636 -4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.410 16.817 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.608 14.398 -5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.674 16.269 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.685 13.304 -6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.760 15.189 -3.432 1.00 0.00 H new ATOM 0 HH TYR A 404 6.747 13.839 -4.884 1.00 0.00 H new ATOM 702 N GLY A 405 1.147 13.197 -2.204 1.00 0.00 N ATOM 703 CA GLY A 405 1.700 12.472 -1.079 1.00 0.00 C ATOM 704 C GLY A 405 3.161 12.110 -1.292 1.00 0.00 C ATOM 705 O GLY A 405 4.024 12.484 -0.470 1.00 0.00 O ATOM 0 H GLY A 405 1.170 12.684 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 405 1.605 13.077 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 405 1.122 11.562 -0.915 1.00 0.00 H new ATOM 709 N GLY A 406 3.456 11.422 -2.382 1.00 0.00 N ATOM 710 CA GLY A 406 4.830 11.007 -2.691 1.00 0.00 C ATOM 711 C GLY A 406 5.292 9.904 -1.757 1.00 0.00 C ATOM 712 O GLY A 406 6.490 9.720 -1.547 1.00 0.00 O ATOM 0 H GLY A 406 2.765 11.134 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 406 4.885 10.660 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 406 5.499 11.863 -2.606 1.00 0.00 H new ATOM 716 N VAL A 407 4.334 9.168 -1.205 1.00 0.00 N ATOM 717 CA VAL A 407 4.618 8.069 -0.285 1.00 0.00 C ATOM 718 C VAL A 407 4.103 6.740 -0.843 1.00 0.00 C ATOM 719 O VAL A 407 4.191 5.701 -0.205 1.00 0.00 O ATOM 720 CB VAL A 407 3.978 8.324 1.101 1.00 0.00 C ATOM 721 CG1 VAL A 407 4.598 9.549 1.770 1.00 0.00 C ATOM 722 CG2 VAL A 407 2.458 8.476 0.970 1.00 0.00 C ATOM 0 H VAL A 407 3.340 9.315 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 407 5.701 8.013 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 407 4.179 7.462 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 407 4.132 9.708 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 407 5.668 9.389 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 407 4.437 10.426 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 407 2.024 8.655 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 407 2.232 9.317 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 407 2.036 7.564 0.548 1.00 0.00 H new ATOM 732 N GLN A 408 3.565 6.805 -2.056 1.00 0.00 N ATOM 733 CA GLN A 408 3.060 5.642 -2.767 1.00 0.00 C ATOM 734 C GLN A 408 4.202 4.935 -3.497 1.00 0.00 C ATOM 735 O GLN A 408 5.189 5.574 -3.827 1.00 0.00 O ATOM 736 CB GLN A 408 2.003 6.065 -3.779 1.00 0.00 C ATOM 737 CG GLN A 408 1.355 4.920 -4.551 1.00 0.00 C ATOM 738 CD GLN A 408 0.574 5.387 -5.759 1.00 0.00 C ATOM 739 OE1 GLN A 408 1.082 6.433 -6.410 1.00 0.00 O flip ATOM 740 NE2 GLN A 408 -0.446 4.795 -6.117 1.00 0.00 N flip ATOM 0 H GLN A 408 3.467 7.677 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 408 2.616 4.959 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 408 1.223 6.619 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 408 2.459 6.752 -4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 408 2.129 4.223 -4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 408 0.689 4.371 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -0.789 3.999 -5.579 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -0.947 5.101 -6.951 1.00 0.00 H new ATOM 749 N ILE A 409 4.064 3.637 -3.716 1.00 0.00 N ATOM 750 CA ILE A 409 5.062 2.891 -4.483 1.00 0.00 C ATOM 751 C ILE A 409 5.268 3.535 -5.858 1.00 0.00 C ATOM 752 O ILE A 409 6.406 3.752 -6.308 1.00 0.00 O ATOM 753 CB ILE A 409 4.658 1.401 -4.678 1.00 0.00 C ATOM 754 CG1 ILE A 409 3.237 1.297 -5.264 1.00 0.00 C ATOM 755 CG2 ILE A 409 4.792 0.624 -3.373 1.00 0.00 C ATOM 756 CD1 ILE A 409 2.794 -0.128 -5.553 1.00 0.00 C ATOM 0 H ILE A 409 3.280 3.078 -3.379 1.00 0.00 H new ATOM 0 HA ILE A 409 5.989 2.922 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 409 5.343 0.948 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 409 2.533 1.752 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 409 3.192 1.876 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 409 4.504 -0.414 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 409 5.826 0.664 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 409 4.142 1.066 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 409 1.784 -0.119 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 409 3.474 -0.581 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 409 2.805 -0.707 -4.630 1.00 0.00 H new ATOM 768 N VAL A 410 4.158 3.884 -6.521 1.00 0.00 N ATOM 769 CA VAL A 410 4.234 4.559 -7.818 1.00 0.00 C ATOM 770 C VAL A 410 4.849 5.943 -7.611 1.00 0.00 C ATOM 771 O VAL A 410 4.139 6.910 -7.315 1.00 0.00 O ATOM 772 CB VAL A 410 2.858 4.702 -8.512 1.00 0.00 C ATOM 773 CG1 VAL A 410 3.003 5.291 -9.905 1.00 0.00 C ATOM 774 CG2 VAL A 410 2.125 3.356 -8.550 1.00 0.00 C ATOM 0 H VAL A 410 3.210 3.712 -6.185 1.00 0.00 H new ATOM 0 HA VAL A 410 4.851 3.944 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 410 2.255 5.395 -7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 410 2.020 5.379 -10.367 1.00 0.00 H new ATOM 0 HG12 VAL A 410 3.462 6.277 -9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 410 3.632 4.640 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 410 1.160 3.481 -9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 410 2.723 2.631 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 410 1.969 2.998 -7.532 1.00 0.00 H new ATOM 784 N GLY A 411 6.173 5.991 -7.712 1.00 0.00 N ATOM 785 CA GLY A 411 6.918 7.208 -7.517 1.00 0.00 C ATOM 786 C GLY A 411 8.240 6.944 -6.815 1.00 0.00 C ATOM 787 O GLY A 411 9.268 7.521 -7.178 1.00 0.00 O ATOM 0 H GLY A 411 6.751 5.180 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 411 7.105 7.680 -8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 411 6.326 7.908 -6.928 1.00 0.00 H new ATOM 791 N GLN A 412 8.212 6.080 -5.799 1.00 0.00 N ATOM 792 CA GLN A 412 9.432 5.723 -5.068 1.00 0.00 C ATOM 793 C GLN A 412 10.046 4.431 -5.615 1.00 0.00 C ATOM 794 O GLN A 412 11.251 4.343 -5.804 1.00 0.00 O ATOM 795 CB GLN A 412 9.151 5.588 -3.569 1.00 0.00 C ATOM 796 CG GLN A 412 8.077 4.570 -3.217 1.00 0.00 C ATOM 797 CD GLN A 412 7.877 4.384 -1.720 1.00 0.00 C ATOM 798 OE1 GLN A 412 8.942 4.537 -0.952 1.00 0.00 O flip ATOM 799 NE2 GLN A 412 6.772 4.108 -1.255 1.00 0.00 N flip ATOM 0 H GLN A 412 7.367 5.617 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 412 10.152 6.529 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 412 10.076 5.311 -3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 412 8.853 6.561 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 412 7.133 4.881 -3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 412 8.339 3.610 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 412 5.971 3.997 -1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 412 6.657 3.990 -0.248 1.00 0.00 H new ATOM 808 N ASP A 413 9.192 3.445 -5.883 1.00 0.00 N ATOM 809 CA ASP A 413 9.647 2.186 -6.466 1.00 0.00 C ATOM 810 C ASP A 413 8.452 1.322 -6.890 1.00 0.00 C ATOM 811 O ASP A 413 7.445 1.249 -6.197 1.00 0.00 O ATOM 812 CB ASP A 413 10.500 1.382 -5.483 1.00 0.00 C ATOM 813 CG ASP A 413 10.977 0.075 -6.107 1.00 0.00 C ATOM 814 OD1 ASP A 413 11.745 0.125 -7.078 1.00 0.00 O ATOM 815 OD2 ASP A 413 10.545 -1.004 -5.636 1.00 0.00 O ATOM 0 H ASP A 413 8.188 3.493 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 413 10.252 2.443 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 413 11.360 1.976 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 413 9.921 1.169 -4.585 1.00 0.00 H new ATOM 820 N GLU A 414 8.617 0.664 -8.032 1.00 0.00 N ATOM 821 CA GLU A 414 7.555 -0.184 -8.601 1.00 0.00 C ATOM 822 C GLU A 414 8.137 -1.530 -9.068 1.00 0.00 C ATOM 823 O GLU A 414 7.449 -2.298 -9.737 1.00 0.00 O ATOM 824 CB GLU A 414 6.910 0.523 -9.799 1.00 0.00 C ATOM 825 CG GLU A 414 6.343 1.906 -9.483 1.00 0.00 C ATOM 826 CD GLU A 414 5.620 2.516 -10.663 1.00 0.00 C ATOM 827 OE1 GLU A 414 4.432 2.181 -10.871 1.00 0.00 O ATOM 828 OE2 GLU A 414 6.230 3.325 -11.388 1.00 0.00 O ATOM 0 H GLU A 414 9.472 0.696 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 414 6.806 -0.363 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 414 7.652 0.620 -10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.109 -0.105 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 414 5.657 1.830 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 414 7.154 2.567 -9.176 1.00 0.00 H new ATOM 835 N THR A 415 9.383 -1.805 -8.703 1.00 0.00 N ATOM 836 CA THR A 415 10.067 -3.014 -9.148 1.00 0.00 C ATOM 837 C THR A 415 9.449 -4.245 -8.532 1.00 0.00 C ATOM 838 O THR A 415 9.047 -5.186 -9.224 1.00 0.00 O ATOM 839 CB THR A 415 11.572 -2.980 -8.774 1.00 0.00 C ATOM 840 OG1 THR A 415 11.705 -2.842 -7.354 1.00 0.00 O ATOM 841 CG2 THR A 415 12.287 -1.848 -9.482 1.00 0.00 C ATOM 0 H THR A 415 9.943 -1.205 -8.097 1.00 0.00 H new ATOM 0 HA THR A 415 9.963 -3.054 -10.232 1.00 0.00 H new ATOM 0 HB THR A 415 12.033 -3.914 -9.095 1.00 0.00 H new ATOM 0 HG1 THR A 415 12.329 -2.113 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 415 13.340 -1.850 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 415 12.200 -1.981 -10.560 1.00 0.00 H new ATOM 0 HG23 THR A 415 11.836 -0.898 -9.196 1.00 0.00 H new ATOM 849 N ASP A 416 9.384 -4.221 -7.222 1.00 0.00 N ATOM 850 CA ASP A 416 9.031 -5.389 -6.427 1.00 0.00 C ATOM 851 C ASP A 416 9.070 -4.995 -4.955 1.00 0.00 C ATOM 852 O ASP A 416 8.319 -5.525 -4.124 1.00 0.00 O ATOM 853 CB ASP A 416 10.053 -6.488 -6.756 1.00 0.00 C ATOM 854 CG ASP A 416 9.851 -7.766 -5.968 1.00 0.00 C ATOM 855 OD1 ASP A 416 8.742 -8.340 -5.984 1.00 0.00 O ATOM 856 OD2 ASP A 416 10.828 -8.217 -5.356 1.00 0.00 O ATOM 0 H ASP A 416 9.575 -3.387 -6.667 1.00 0.00 H new ATOM 0 HA ASP A 416 8.030 -5.759 -6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 416 9.998 -6.716 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 416 11.056 -6.108 -6.563 1.00 0.00 H new ATOM 861 N ASP A 417 9.967 -4.061 -4.638 1.00 0.00 N ATOM 862 CA ASP A 417 10.028 -3.368 -3.355 1.00 0.00 C ATOM 863 C ASP A 417 10.320 -4.305 -2.182 1.00 0.00 C ATOM 864 O ASP A 417 9.418 -4.741 -1.481 1.00 0.00 O ATOM 865 CB ASP A 417 8.754 -2.544 -3.072 1.00 0.00 C ATOM 866 CG ASP A 417 8.801 -1.804 -1.733 1.00 0.00 C ATOM 867 OD1 ASP A 417 9.805 -1.096 -1.477 1.00 0.00 O ATOM 868 OD2 ASP A 417 7.838 -1.920 -0.951 1.00 0.00 O ATOM 0 H ASP A 417 10.692 -3.758 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 417 10.869 -2.680 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 417 8.611 -1.821 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 417 7.890 -3.208 -3.083 1.00 0.00 H new ATOM 873 N ARG A 418 11.595 -4.634 -2.044 1.00 0.00 N ATOM 874 CA ARG A 418 12.115 -5.403 -0.893 1.00 0.00 C ATOM 875 C ARG A 418 13.623 -5.557 -1.015 1.00 0.00 C ATOM 876 O ARG A 418 14.170 -5.466 -2.114 1.00 0.00 O ATOM 877 CB ARG A 418 11.441 -6.778 -0.756 1.00 0.00 C ATOM 878 CG ARG A 418 11.305 -7.521 -2.070 1.00 0.00 C ATOM 879 CD ARG A 418 10.648 -8.885 -1.890 1.00 0.00 C ATOM 880 NE ARG A 418 10.063 -9.330 -3.138 1.00 0.00 N ATOM 881 CZ ARG A 418 9.831 -10.597 -3.466 1.00 0.00 C ATOM 882 NH1 ARG A 418 10.150 -11.574 -2.626 1.00 0.00 N ATOM 883 NH2 ARG A 418 9.319 -10.885 -4.653 1.00 0.00 N ATOM 0 H ARG A 418 12.312 -4.380 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 418 11.878 -4.844 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 418 12.018 -7.388 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 418 10.451 -6.646 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 418 10.715 -6.923 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 418 12.291 -7.650 -2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 418 11.387 -9.610 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 418 9.879 -8.827 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 418 9.809 -8.614 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 418 10.575 -11.354 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 418 9.970 -12.545 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 418 9.104 -10.136 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 418 9.139 -11.856 -4.909 1.00 0.00 H new ATOM 897 N PRO A 419 14.311 -5.737 0.120 1.00 0.00 N ATOM 898 CA PRO A 419 15.759 -5.970 0.149 1.00 0.00 C ATOM 899 C PRO A 419 16.154 -7.122 -0.774 1.00 0.00 C ATOM 900 O PRO A 419 15.487 -8.157 -0.797 1.00 0.00 O ATOM 901 CB PRO A 419 16.035 -6.347 1.614 1.00 0.00 C ATOM 902 CG PRO A 419 14.926 -5.700 2.383 1.00 0.00 C ATOM 903 CD PRO A 419 13.715 -5.735 1.472 1.00 0.00 C ATOM 0 HA PRO A 419 16.326 -5.103 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 419 16.036 -7.428 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 419 17.009 -5.983 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 419 14.731 -6.235 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 419 15.183 -4.676 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 419 13.106 -6.622 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 419 13.070 -4.870 1.626 1.00 0.00 H new ATOM 911 N GLU A 420 17.232 -6.945 -1.537 1.00 0.00 N ATOM 912 CA GLU A 420 17.741 -8.012 -2.389 1.00 0.00 C ATOM 913 C GLU A 420 18.471 -9.054 -1.542 1.00 0.00 C ATOM 914 O GLU A 420 19.072 -8.725 -0.512 1.00 0.00 O ATOM 915 CB GLU A 420 18.659 -7.457 -3.493 1.00 0.00 C ATOM 916 CG GLU A 420 17.985 -6.412 -4.374 1.00 0.00 C ATOM 917 CD GLU A 420 18.035 -5.006 -3.779 1.00 0.00 C ATOM 918 OE1 GLU A 420 19.065 -4.326 -3.951 1.00 0.00 O ATOM 919 OE2 GLU A 420 17.050 -4.579 -3.136 1.00 0.00 O ATOM 0 H GLU A 420 17.765 -6.077 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 420 16.895 -8.492 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 420 19.543 -7.017 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 420 19.002 -8.281 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 420 18.467 -6.404 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 420 16.945 -6.696 -4.534 1.00 0.00 H new ATOM 926 N CYS A 421 18.413 -10.309 -1.992 1.00 0.00 N ATOM 927 CA CYS A 421 19.016 -11.416 -1.271 1.00 0.00 C ATOM 928 C CYS A 421 20.474 -11.110 -0.950 1.00 0.00 C ATOM 929 O CYS A 421 21.213 -10.629 -1.802 1.00 0.00 O ATOM 930 CB CYS A 421 18.891 -12.681 -2.122 1.00 0.00 C ATOM 931 SG CYS A 421 19.119 -14.243 -1.211 1.00 0.00 S ATOM 0 H CYS A 421 17.949 -10.578 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 421 18.499 -11.569 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 421 17.907 -12.691 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 421 19.626 -12.635 -2.926 1.00 0.00 H new ATOM 936 N PRO A 422 20.905 -11.387 0.305 1.00 0.00 N ATOM 937 CA PRO A 422 22.278 -11.090 0.762 1.00 0.00 C ATOM 938 C PRO A 422 23.336 -11.773 -0.117 1.00 0.00 C ATOM 939 O PRO A 422 24.439 -11.273 -0.281 1.00 0.00 O ATOM 940 CB PRO A 422 22.311 -11.662 2.199 1.00 0.00 C ATOM 941 CG PRO A 422 20.892 -11.684 2.621 1.00 0.00 C ATOM 942 CD PRO A 422 20.087 -11.989 1.390 1.00 0.00 C ATOM 0 HA PRO A 422 22.508 -10.026 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 422 22.747 -12.661 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 422 22.912 -11.039 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 422 20.727 -12.439 3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 422 20.599 -10.725 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 422 19.954 -13.062 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 422 19.091 -11.548 1.438 1.00 0.00 H new ATOM 950 N TYR A 423 22.955 -12.894 -0.702 1.00 0.00 N ATOM 951 CA TYR A 423 23.874 -13.678 -1.528 1.00 0.00 C ATOM 952 C TYR A 423 23.651 -13.389 -3.020 1.00 0.00 C ATOM 953 O TYR A 423 24.267 -14.025 -3.888 1.00 0.00 O ATOM 954 CB TYR A 423 23.678 -15.175 -1.259 1.00 0.00 C ATOM 955 CG TYR A 423 23.861 -15.589 0.195 1.00 0.00 C ATOM 956 CD1 TYR A 423 22.836 -15.425 1.116 1.00 0.00 C ATOM 957 CD2 TYR A 423 25.057 -16.152 0.627 1.00 0.00 C ATOM 958 CE1 TYR A 423 22.994 -15.806 2.430 1.00 0.00 C ATOM 959 CE2 TYR A 423 25.216 -16.539 1.947 1.00 0.00 C ATOM 960 CZ TYR A 423 24.185 -16.362 2.844 1.00 0.00 C ATOM 961 OH TYR A 423 24.341 -16.756 4.152 1.00 0.00 O ATOM 0 H TYR A 423 22.017 -13.287 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 423 24.893 -13.393 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 423 22.676 -15.460 -1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 423 24.382 -15.736 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 423 21.899 -14.992 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 423 25.868 -16.288 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 423 22.187 -15.669 3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 423 26.147 -16.979 2.273 1.00 0.00 H new ATOM 0 HH TYR A 423 25.239 -17.128 4.277 1.00 0.00 H new ATOM 971 N GLY A 424 22.781 -12.429 -3.308 1.00 0.00 N ATOM 972 CA GLY A 424 22.441 -12.089 -4.682 1.00 0.00 C ATOM 973 C GLY A 424 21.674 -13.216 -5.361 1.00 0.00 C ATOM 974 O GLY A 424 21.047 -14.031 -4.690 1.00 0.00 O ATOM 0 H GLY A 424 22.297 -11.871 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 424 21.841 -11.179 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 424 23.352 -11.878 -5.242 1.00 0.00 H new ATOM 978 N PRO A 425 21.712 -13.291 -6.702 1.00 0.00 N ATOM 979 CA PRO A 425 21.041 -14.370 -7.451 1.00 0.00 C ATOM 980 C PRO A 425 21.753 -15.706 -7.256 1.00 0.00 C ATOM 981 O PRO A 425 21.187 -16.780 -7.518 1.00 0.00 O ATOM 982 CB PRO A 425 21.145 -13.901 -8.913 1.00 0.00 C ATOM 983 CG PRO A 425 22.337 -13.015 -8.941 1.00 0.00 C ATOM 984 CD PRO A 425 22.409 -12.348 -7.595 1.00 0.00 C ATOM 0 HA PRO A 425 20.015 -14.537 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 425 21.263 -14.745 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 425 20.247 -13.366 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 425 23.242 -13.590 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 425 22.251 -12.274 -9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 425 23.441 -12.188 -7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 425 21.924 -11.372 -7.605 1.00 0.00 H new ATOM 992 N SER A 426 22.993 -15.637 -6.768 1.00 0.00 N ATOM 993 CA SER A 426 23.791 -16.829 -6.445 1.00 0.00 C ATOM 994 C SER A 426 23.360 -17.405 -5.097 1.00 0.00 C ATOM 995 O SER A 426 23.960 -18.355 -4.596 1.00 0.00 O ATOM 996 CB SER A 426 25.277 -16.457 -6.419 1.00 0.00 C ATOM 997 OG SER A 426 26.093 -17.599 -6.197 1.00 0.00 O ATOM 0 H SER A 426 23.475 -14.757 -6.585 1.00 0.00 H new ATOM 0 HA SER A 426 23.628 -17.589 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 426 25.553 -15.989 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 426 25.456 -15.722 -5.634 1.00 0.00 H new ATOM 0 HG SER A 426 25.642 -18.207 -5.575 1.00 0.00 H new ATOM 1003 N CYS A 427 22.322 -16.811 -4.503 1.00 0.00 N ATOM 1004 CA CYS A 427 21.765 -17.264 -3.249 1.00 0.00 C ATOM 1005 C CYS A 427 21.375 -18.737 -3.332 1.00 0.00 C ATOM 1006 O CYS A 427 20.498 -19.119 -4.117 1.00 0.00 O ATOM 1007 CB CYS A 427 20.552 -16.406 -2.899 1.00 0.00 C ATOM 1008 SG CYS A 427 19.753 -16.802 -1.312 1.00 0.00 S ATOM 0 H CYS A 427 21.848 -15.996 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 427 22.516 -17.163 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 427 20.860 -15.360 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 427 19.814 -16.508 -3.694 1.00 0.00 H new ATOM 0 HG CYS A 427 18.922 -15.854 -0.996 1.00 0.00 H new ATOM 1013 N TYR A 428 22.031 -19.543 -2.509 1.00 0.00 N ATOM 1014 CA TYR A 428 21.776 -20.983 -2.421 1.00 0.00 C ATOM 1015 C TYR A 428 20.957 -21.284 -1.171 1.00 0.00 C ATOM 1016 O TYR A 428 20.827 -22.434 -0.754 1.00 0.00 O ATOM 1017 CB TYR A 428 23.112 -21.745 -2.422 1.00 0.00 C ATOM 1018 CG TYR A 428 24.209 -21.050 -1.630 1.00 0.00 C ATOM 1019 CD1 TYR A 428 24.330 -21.189 -0.267 1.00 0.00 C ATOM 1020 CD2 TYR A 428 25.137 -20.204 -2.290 1.00 0.00 C ATOM 1021 CE1 TYR A 428 25.320 -20.539 0.446 1.00 0.00 C ATOM 1022 CE2 TYR A 428 26.121 -19.562 -1.585 1.00 0.00 C ATOM 1023 CZ TYR A 428 26.210 -19.729 -0.230 1.00 0.00 C ATOM 1024 OH TYR A 428 27.191 -19.091 0.482 1.00 0.00 O ATOM 0 H TYR A 428 22.762 -19.218 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 428 21.200 -21.313 -3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 428 22.953 -22.741 -2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 428 23.446 -21.876 -3.451 1.00 0.00 H new ATOM 0 HD1 TYR A 428 23.633 -21.823 0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 428 25.067 -20.065 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 428 25.396 -20.663 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 428 26.826 -18.925 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 428 26.801 -18.341 0.977 1.00 0.00 H new ATOM 1034 N ARG A 429 20.399 -20.226 -0.568 1.00 0.00 N ATOM 1035 CA ARG A 429 19.547 -20.371 0.594 1.00 0.00 C ATOM 1036 C ARG A 429 18.217 -20.972 0.173 1.00 0.00 C ATOM 1037 O ARG A 429 17.391 -20.292 -0.439 1.00 0.00 O ATOM 1038 CB ARG A 429 19.335 -19.009 1.287 1.00 0.00 C ATOM 1039 CG ARG A 429 20.613 -18.254 1.608 1.00 0.00 C ATOM 1040 CD ARG A 429 21.564 -19.075 2.476 1.00 0.00 C ATOM 1041 NE ARG A 429 20.957 -19.522 3.734 1.00 0.00 N ATOM 1042 CZ ARG A 429 21.516 -19.397 4.927 1.00 0.00 C ATOM 1043 NH1 ARG A 429 22.667 -18.739 5.079 1.00 0.00 N ATOM 1044 NH2 ARG A 429 20.899 -19.907 5.984 1.00 0.00 N ATOM 0 H ARG A 429 20.530 -19.262 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 429 20.029 -21.037 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 429 18.711 -18.385 0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 429 18.782 -19.170 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 429 21.115 -17.981 0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 429 20.365 -17.325 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 429 21.900 -19.946 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 429 22.449 -18.479 2.699 1.00 0.00 H new ATOM 0 HE ARG A 429 20.038 -19.961 3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 429 23.128 -18.324 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 429 23.086 -18.651 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 429 20.006 -20.387 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 429 21.317 -19.819 6.910 1.00 0.00 H new ATOM 1058 N LYS A 430 18.023 -22.235 0.484 1.00 0.00 N ATOM 1059 CA LYS A 430 16.841 -22.973 0.059 1.00 0.00 C ATOM 1060 C LYS A 430 15.707 -22.815 1.059 1.00 0.00 C ATOM 1061 O LYS A 430 15.686 -23.487 2.086 1.00 0.00 O ATOM 1062 CB LYS A 430 17.190 -24.456 -0.128 1.00 0.00 C ATOM 1063 CG LYS A 430 18.379 -24.693 -1.051 1.00 0.00 C ATOM 1064 CD LYS A 430 18.703 -26.184 -1.172 1.00 0.00 C ATOM 1065 CE LYS A 430 17.628 -26.960 -1.908 1.00 0.00 C ATOM 1066 NZ LYS A 430 17.491 -26.497 -3.316 1.00 0.00 N ATOM 0 H LYS A 430 18.678 -22.785 1.039 1.00 0.00 H new ATOM 0 HA LYS A 430 16.504 -22.564 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 430 17.404 -24.896 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 430 16.321 -24.977 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 430 18.162 -24.285 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 430 19.250 -24.160 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 430 19.653 -26.304 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 430 18.831 -26.606 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 430 17.871 -28.023 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 430 16.675 -26.844 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 16.945 -27.196 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 16.997 -25.582 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 18.435 -26.389 -3.739 1.00 0.00 H new ATOM 1080 N ASN A 431 14.798 -21.890 0.766 1.00 0.00 N ATOM 1081 CA ASN A 431 13.610 -21.653 1.582 1.00 0.00 C ATOM 1082 C ASN A 431 12.703 -20.652 0.871 1.00 0.00 C ATOM 1083 O ASN A 431 13.149 -19.559 0.518 1.00 0.00 O ATOM 1084 CB ASN A 431 13.988 -21.096 2.958 1.00 0.00 C ATOM 1085 CG ASN A 431 12.828 -21.139 3.949 1.00 0.00 C ATOM 1086 OD1 ASN A 431 12.099 -22.124 4.009 1.00 0.00 O ATOM 1087 ND2 ASN A 431 12.628 -20.053 4.685 1.00 0.00 N ATOM 0 H ASN A 431 14.865 -21.280 -0.049 1.00 0.00 H new ATOM 0 HA ASN A 431 13.094 -22.603 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 431 14.825 -21.667 3.359 1.00 0.00 H new ATOM 0 HB3 ASN A 431 14.329 -20.066 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 431 11.842 -20.014 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 431 13.260 -19.257 4.602 1.00 0.00 H new ATOM 1094 N PRO A 432 11.418 -21.000 0.666 1.00 0.00 N ATOM 1095 CA PRO A 432 10.478 -20.138 -0.064 1.00 0.00 C ATOM 1096 C PRO A 432 10.260 -18.808 0.636 1.00 0.00 C ATOM 1097 O PRO A 432 10.197 -17.756 -0.015 1.00 0.00 O ATOM 1098 CB PRO A 432 9.176 -20.964 -0.096 1.00 0.00 C ATOM 1099 CG PRO A 432 9.321 -21.947 1.022 1.00 0.00 C ATOM 1100 CD PRO A 432 10.789 -22.258 1.104 1.00 0.00 C ATOM 0 HA PRO A 432 10.847 -19.877 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 432 8.301 -20.329 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 432 9.051 -21.469 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 432 8.957 -21.529 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 432 8.740 -22.849 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 432 11.089 -22.528 2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 432 11.062 -23.092 0.458 1.00 0.00 H new ATOM 1108 N GLN A 433 10.204 -18.840 1.966 1.00 0.00 N ATOM 1109 CA GLN A 433 9.961 -17.643 2.764 1.00 0.00 C ATOM 1110 C GLN A 433 11.104 -16.646 2.587 1.00 0.00 C ATOM 1111 O GLN A 433 10.885 -15.440 2.520 1.00 0.00 O ATOM 1112 CB GLN A 433 9.802 -18.008 4.236 1.00 0.00 C ATOM 1113 CG GLN A 433 9.504 -16.823 5.146 1.00 0.00 C ATOM 1114 CD GLN A 433 8.203 -16.114 4.806 1.00 0.00 C ATOM 1115 OE1 GLN A 433 7.135 -16.468 5.301 1.00 0.00 O ATOM 1116 NE2 GLN A 433 8.293 -15.109 3.938 1.00 0.00 N ATOM 0 H GLN A 433 10.325 -19.690 2.516 1.00 0.00 H new ATOM 0 HA GLN A 433 9.037 -17.179 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.998 -18.737 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 433 10.716 -18.494 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 433 9.462 -17.169 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 433 10.326 -16.110 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 433 9.200 -14.849 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.455 -14.599 3.659 1.00 0.00 H new ATOM 1125 N HIS A 434 12.322 -17.169 2.501 1.00 0.00 N ATOM 1126 CA HIS A 434 13.502 -16.337 2.268 1.00 0.00 C ATOM 1127 C HIS A 434 13.343 -15.553 0.969 1.00 0.00 C ATOM 1128 O HIS A 434 13.547 -14.344 0.904 1.00 0.00 O ATOM 1129 CB HIS A 434 14.770 -17.213 2.235 1.00 0.00 C ATOM 1130 CG HIS A 434 15.912 -16.586 1.498 1.00 0.00 C ATOM 1131 ND1 HIS A 434 16.576 -15.455 1.891 1.00 0.00 N ATOM 1132 CD2 HIS A 434 16.465 -16.937 0.308 1.00 0.00 C ATOM 1133 CE1 HIS A 434 17.463 -15.143 0.963 1.00 0.00 C ATOM 1134 NE2 HIS A 434 17.446 -16.026 -0.036 1.00 0.00 N ATOM 0 H HIS A 434 12.521 -18.166 2.589 1.00 0.00 H new ATOM 0 HA HIS A 434 13.603 -15.623 3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 434 15.081 -17.426 3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 434 14.529 -18.169 1.770 1.00 0.00 H new ATOM 0 HD1 HIS A 434 16.413 -14.939 2.756 1.00 0.00 H new ATOM 0 HD2 HIS A 434 16.181 -17.797 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 434 18.117 -14.285 1.008 1.00 0.00 H new ATOM 1142 N LYS A 435 12.952 -16.278 -0.068 1.00 0.00 N ATOM 1143 CA LYS A 435 12.763 -15.728 -1.401 1.00 0.00 C ATOM 1144 C LYS A 435 11.553 -14.774 -1.448 1.00 0.00 C ATOM 1145 O LYS A 435 11.401 -14.010 -2.400 1.00 0.00 O ATOM 1146 CB LYS A 435 12.594 -16.888 -2.377 1.00 0.00 C ATOM 1147 CG LYS A 435 13.757 -17.873 -2.328 1.00 0.00 C ATOM 1148 CD LYS A 435 13.452 -19.159 -3.103 1.00 0.00 C ATOM 1149 CE LYS A 435 13.081 -18.887 -4.551 1.00 0.00 C ATOM 1150 NZ LYS A 435 12.991 -20.143 -5.341 1.00 0.00 N ATOM 0 H LYS A 435 12.755 -17.277 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 435 13.635 -15.136 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 435 11.667 -17.415 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 435 12.499 -16.495 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 435 14.648 -17.402 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 435 13.980 -18.119 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 435 14.322 -19.815 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 435 12.635 -19.689 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 435 12.126 -18.364 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 435 13.824 -18.228 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 12.736 -19.917 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 13.910 -20.630 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 12.264 -20.762 -4.928 1.00 0.00 H new ATOM 1164 N ILE A 436 10.720 -14.848 -0.417 1.00 0.00 N ATOM 1165 CA ILE A 436 9.551 -13.991 -0.307 1.00 0.00 C ATOM 1166 C ILE A 436 9.917 -12.662 0.362 1.00 0.00 C ATOM 1167 O ILE A 436 9.386 -11.607 0.002 1.00 0.00 O ATOM 1168 CB ILE A 436 8.427 -14.710 0.500 1.00 0.00 C ATOM 1169 CG1 ILE A 436 7.840 -15.873 -0.323 1.00 0.00 C ATOM 1170 CG2 ILE A 436 7.328 -13.741 0.945 1.00 0.00 C ATOM 1171 CD1 ILE A 436 6.872 -16.730 0.451 1.00 0.00 C ATOM 0 H ILE A 436 10.836 -15.499 0.360 1.00 0.00 H new ATOM 0 HA ILE A 436 9.183 -13.781 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 436 8.877 -15.114 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 436 7.334 -15.468 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 436 8.656 -16.498 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 436 6.567 -14.286 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 436 7.760 -12.968 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 436 6.874 -13.279 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 436 6.499 -17.528 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 436 7.379 -17.164 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 436 6.037 -16.118 0.792 1.00 0.00 H new ATOM 1183 N GLU A 437 10.852 -12.725 1.298 1.00 0.00 N ATOM 1184 CA GLU A 437 11.279 -11.541 2.051 1.00 0.00 C ATOM 1185 C GLU A 437 12.386 -10.794 1.298 1.00 0.00 C ATOM 1186 O GLU A 437 12.579 -9.598 1.489 1.00 0.00 O ATOM 1187 CB GLU A 437 11.770 -11.949 3.442 1.00 0.00 C ATOM 1188 CG GLU A 437 10.839 -12.929 4.145 1.00 0.00 C ATOM 1189 CD GLU A 437 11.288 -13.275 5.551 1.00 0.00 C ATOM 1190 OE1 GLU A 437 11.049 -12.468 6.480 1.00 0.00 O ATOM 1191 OE2 GLU A 437 11.876 -14.360 5.749 1.00 0.00 O ATOM 0 H GLU A 437 11.335 -13.584 1.560 1.00 0.00 H new ATOM 0 HA GLU A 437 10.424 -10.874 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 437 12.759 -12.398 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 437 11.879 -11.056 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 437 9.837 -12.503 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 437 10.773 -13.844 3.556 1.00 0.00 H new ATOM 1198 N TYR A 438 13.112 -11.525 0.458 1.00 0.00 N ATOM 1199 CA TYR A 438 14.228 -10.964 -0.292 1.00 0.00 C ATOM 1200 C TYR A 438 14.063 -11.254 -1.777 1.00 0.00 C ATOM 1201 O TYR A 438 13.725 -12.372 -2.157 1.00 0.00 O ATOM 1202 CB TYR A 438 15.564 -11.560 0.193 1.00 0.00 C ATOM 1203 CG TYR A 438 15.895 -11.238 1.644 1.00 0.00 C ATOM 1204 CD1 TYR A 438 15.325 -11.960 2.691 1.00 0.00 C ATOM 1205 CD2 TYR A 438 16.782 -10.217 1.970 1.00 0.00 C ATOM 1206 CE1 TYR A 438 15.630 -11.673 4.009 1.00 0.00 C ATOM 1207 CE2 TYR A 438 17.084 -9.920 3.284 1.00 0.00 C ATOM 1208 CZ TYR A 438 16.507 -10.652 4.303 1.00 0.00 C ATOM 1209 OH TYR A 438 16.813 -10.348 5.613 1.00 0.00 O ATOM 0 H TYR A 438 12.944 -12.515 0.280 1.00 0.00 H new ATOM 0 HA TYR A 438 14.236 -9.886 -0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 438 15.533 -12.643 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 438 16.368 -11.189 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 438 14.632 -12.758 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 438 17.244 -9.645 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 438 15.182 -12.248 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 438 17.769 -9.118 3.514 1.00 0.00 H new ATOM 0 HH TYR A 438 17.448 -9.602 5.636 1.00 0.00 H new ATOM 1219 N ARG A 439 14.309 -10.238 -2.601 1.00 0.00 N ATOM 1220 CA ARG A 439 14.241 -10.400 -4.058 1.00 0.00 C ATOM 1221 C ARG A 439 15.615 -10.785 -4.599 1.00 0.00 C ATOM 1222 O ARG A 439 16.630 -10.217 -4.215 1.00 0.00 O ATOM 1223 CB ARG A 439 13.737 -9.113 -4.732 1.00 0.00 C ATOM 1224 CG ARG A 439 14.504 -7.851 -4.341 1.00 0.00 C ATOM 1225 CD ARG A 439 13.951 -6.621 -5.056 1.00 0.00 C ATOM 1226 NE ARG A 439 14.774 -5.429 -4.778 1.00 0.00 N ATOM 1227 CZ ARG A 439 14.833 -4.354 -5.576 1.00 0.00 C ATOM 1228 NH1 ARG A 439 14.097 -4.289 -6.683 1.00 0.00 N ATOM 1229 NH2 ARG A 439 15.633 -3.347 -5.246 1.00 0.00 N ATOM 0 H ARG A 439 14.556 -9.298 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 439 13.532 -11.196 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 439 13.795 -9.238 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 439 12.685 -8.975 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 439 14.443 -7.705 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 439 15.559 -7.973 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 439 13.922 -6.804 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 439 12.925 -6.441 -4.735 1.00 0.00 H new ATOM 0 HE ARG A 439 15.333 -5.422 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 439 13.480 -5.062 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 439 14.150 -3.466 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 439 16.192 -3.398 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 439 15.688 -2.522 -5.844 1.00 0.00 H new ATOM 1243 N HIS A 440 15.625 -11.779 -5.493 1.00 0.00 N ATOM 1244 CA HIS A 440 16.862 -12.271 -6.080 1.00 0.00 C ATOM 1245 C HIS A 440 17.048 -11.693 -7.482 1.00 0.00 C ATOM 1246 O HIS A 440 16.669 -12.306 -8.479 1.00 0.00 O ATOM 1247 CB HIS A 440 16.848 -13.804 -6.090 1.00 0.00 C ATOM 1248 CG HIS A 440 16.777 -14.404 -4.715 1.00 0.00 C ATOM 1249 ND1 HIS A 440 15.733 -14.215 -3.840 1.00 0.00 N ATOM 1250 CD2 HIS A 440 17.695 -15.151 -4.054 1.00 0.00 C ATOM 1251 CE1 HIS A 440 16.029 -14.838 -2.704 1.00 0.00 C ATOM 1252 NE2 HIS A 440 17.226 -15.430 -2.777 1.00 0.00 N ATOM 0 H HIS A 440 14.785 -12.255 -5.822 1.00 0.00 H new ATOM 0 HA HIS A 440 17.712 -11.945 -5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 440 15.995 -14.149 -6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 440 17.746 -14.166 -6.591 1.00 0.00 H new ATOM 0 HD1 HIS A 440 14.880 -13.689 -4.030 1.00 0.00 H new ATOM 0 HD2 HIS A 440 18.642 -15.478 -4.457 1.00 0.00 H new ATOM 0 HE1 HIS A 440 15.387 -14.863 -1.836 1.00 0.00 H new ATOM 1260 N ASN A 441 17.593 -10.486 -7.537 1.00 0.00 N ATOM 1261 CA ASN A 441 17.837 -9.795 -8.811 1.00 0.00 C ATOM 1262 C ASN A 441 19.263 -10.049 -9.276 1.00 0.00 C ATOM 1263 O ASN A 441 20.144 -10.331 -8.456 1.00 0.00 O ATOM 1264 CB ASN A 441 17.600 -8.292 -8.670 1.00 0.00 C ATOM 1265 CG ASN A 441 16.136 -7.911 -8.543 1.00 0.00 C ATOM 1266 OD1 ASN A 441 15.255 -8.612 -9.053 1.00 0.00 O ATOM 1267 ND2 ASN A 441 15.847 -6.807 -7.881 1.00 0.00 N ATOM 0 H ASN A 441 17.879 -9.956 -6.713 1.00 0.00 H new ATOM 0 HA ASN A 441 17.139 -10.187 -9.551 1.00 0.00 H new ATOM 0 HB2 ASN A 441 18.137 -7.930 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 441 18.024 -7.784 -9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 441 14.876 -6.513 -7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 441 16.595 -6.248 -7.470 1.00 0.00 H new ATOM 1274 N THR A 442 19.494 -9.900 -10.578 1.00 0.00 N ATOM 1275 CA THR A 442 20.797 -10.151 -11.161 1.00 0.00 C ATOM 1276 C THR A 442 21.516 -8.829 -11.390 1.00 0.00 C ATOM 1277 O THR A 442 20.936 -7.763 -11.250 1.00 0.00 O ATOM 1278 CB THR A 442 20.666 -10.922 -12.498 1.00 0.00 C ATOM 1279 OG1 THR A 442 19.719 -10.244 -13.355 1.00 0.00 O ATOM 1280 CG2 THR A 442 20.206 -12.348 -12.280 1.00 0.00 C ATOM 0 H THR A 442 18.785 -9.604 -11.249 1.00 0.00 H new ATOM 0 HA THR A 442 21.375 -10.765 -10.470 1.00 0.00 H new ATOM 0 HB THR A 442 21.651 -10.950 -12.965 1.00 0.00 H new ATOM 0 HG1 THR A 442 19.637 -10.731 -14.202 1.00 0.00 H new ATOM 0 HG21 THR A 442 20.126 -12.856 -13.241 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.927 -12.871 -11.652 1.00 0.00 H new ATOM 0 HG23 THR A 442 19.233 -12.345 -11.789 1.00 0.00 H new ATOM 1288 N LEU A 443 22.800 -8.922 -11.766 1.00 0.00 N ATOM 1289 CA LEU A 443 23.607 -7.728 -11.972 1.00 0.00 C ATOM 1290 C LEU A 443 24.459 -7.882 -13.242 1.00 0.00 C ATOM 1291 O LEU A 443 24.821 -9.003 -13.614 1.00 0.00 O ATOM 1292 CB LEU A 443 24.474 -7.439 -10.720 1.00 0.00 C ATOM 1293 CG LEU A 443 25.054 -8.657 -9.974 1.00 0.00 C ATOM 1294 CD1 LEU A 443 26.126 -9.369 -10.786 1.00 0.00 C ATOM 1295 CD2 LEU A 443 25.590 -8.255 -8.610 1.00 0.00 C ATOM 0 H LEU A 443 23.289 -9.802 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 443 22.952 -6.869 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 443 25.304 -6.800 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 443 23.871 -6.866 -10.016 1.00 0.00 H new ATOM 0 HG LEU A 443 24.235 -9.362 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 443 26.505 -10.220 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 443 25.698 -9.719 -11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 443 26.943 -8.678 -10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 443 25.993 -9.132 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 443 26.379 -7.513 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 443 24.783 -7.831 -8.012 1.00 0.00 H new ATOM 1307 N PRO A 444 24.798 -6.772 -13.914 1.00 0.00 N ATOM 1308 CA PRO A 444 25.520 -6.788 -15.209 1.00 0.00 C ATOM 1309 C PRO A 444 26.873 -7.487 -15.080 1.00 0.00 C ATOM 1310 O PRO A 444 27.446 -7.945 -16.082 1.00 0.00 O ATOM 1311 CB PRO A 444 25.719 -5.300 -15.543 1.00 0.00 C ATOM 1312 CG PRO A 444 25.497 -4.584 -14.260 1.00 0.00 C ATOM 1313 CD PRO A 444 24.474 -5.371 -13.519 1.00 0.00 C ATOM 0 HA PRO A 444 24.971 -7.330 -15.979 1.00 0.00 H new ATOM 0 HB2 PRO A 444 26.720 -5.113 -15.931 1.00 0.00 H new ATOM 0 HB3 PRO A 444 25.015 -4.969 -16.306 1.00 0.00 H new ATOM 0 HG2 PRO A 444 26.422 -4.512 -13.689 1.00 0.00 H new ATOM 0 HG3 PRO A 444 25.152 -3.565 -14.437 1.00 0.00 H new ATOM 0 HD2 PRO A 444 24.551 -5.225 -12.442 1.00 0.00 H new ATOM 0 HD3 PRO A 444 23.460 -5.092 -13.807 1.00 0.00 H new ATOM 1321 N VAL A 445 27.424 -7.511 -13.870 1.00 0.00 N ATOM 1322 CA VAL A 445 28.616 -8.271 -13.488 1.00 0.00 C ATOM 1323 C VAL A 445 29.844 -7.937 -14.351 1.00 0.00 C ATOM 1324 O VAL A 445 30.903 -8.554 -14.202 1.00 0.00 O ATOM 1325 CB VAL A 445 28.353 -9.830 -13.534 1.00 0.00 C ATOM 1326 CG1 VAL A 445 28.414 -10.394 -14.934 1.00 0.00 C ATOM 1327 CG2 VAL A 445 29.330 -10.576 -12.622 1.00 0.00 C ATOM 0 H VAL A 445 27.036 -6.978 -13.092 1.00 0.00 H new ATOM 0 HA VAL A 445 28.835 -7.971 -12.463 1.00 0.00 H new ATOM 0 HB VAL A 445 27.336 -9.980 -13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 445 28.226 -11.467 -14.902 1.00 0.00 H new ATOM 0 HG12 VAL A 445 27.659 -9.911 -15.554 1.00 0.00 H new ATOM 0 HG13 VAL A 445 29.402 -10.211 -15.357 1.00 0.00 H new ATOM 0 HG21 VAL A 445 29.129 -11.646 -12.671 1.00 0.00 H new ATOM 0 HG22 VAL A 445 30.352 -10.384 -12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 445 29.206 -10.230 -11.596 1.00 0.00 H new ATOM 1337 N ARG A 446 29.728 -6.918 -15.206 1.00 0.00 N ATOM 1338 CA ARG A 446 30.837 -6.571 -16.126 1.00 0.00 C ATOM 1339 C ARG A 446 31.212 -5.096 -16.006 1.00 0.00 C ATOM 1340 O ARG A 446 30.487 -4.322 -15.391 1.00 0.00 O ATOM 1341 CB ARG A 446 30.453 -6.850 -17.570 1.00 0.00 C ATOM 1342 CG ARG A 446 29.275 -6.034 -18.062 1.00 0.00 C ATOM 1343 CD ARG A 446 29.078 -6.145 -19.586 1.00 0.00 C ATOM 1344 NE ARG A 446 28.031 -5.241 -20.056 1.00 0.00 N ATOM 1345 CZ ARG A 446 28.199 -4.336 -21.037 1.00 0.00 C ATOM 1346 NH1 ARG A 446 29.383 -4.163 -21.599 1.00 0.00 N ATOM 1347 NH2 ARG A 446 27.168 -3.573 -21.431 1.00 0.00 N ATOM 0 H ARG A 446 28.902 -6.325 -15.288 1.00 0.00 H new ATOM 0 HA ARG A 446 31.689 -7.190 -15.843 1.00 0.00 H new ATOM 0 HB2 ARG A 446 31.313 -6.650 -18.209 1.00 0.00 H new ATOM 0 HB3 ARG A 446 30.218 -7.909 -17.675 1.00 0.00 H new ATOM 0 HG2 ARG A 446 28.369 -6.368 -17.556 1.00 0.00 H new ATOM 0 HG3 ARG A 446 29.423 -4.988 -17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 446 30.015 -5.914 -20.093 1.00 0.00 H new ATOM 0 HD3 ARG A 446 28.819 -7.171 -19.847 1.00 0.00 H new ATOM 0 HE ARG A 446 27.115 -5.300 -19.612 1.00 0.00 H new ATOM 0 HH11 ARG A 446 30.180 -4.719 -21.290 1.00 0.00 H new ATOM 0 HH12 ARG A 446 29.499 -3.474 -22.342 1.00 0.00 H new ATOM 0 HH21 ARG A 446 26.256 -3.679 -20.987 1.00 0.00 H new ATOM 0 HH22 ARG A 446 27.296 -2.887 -22.175 1.00 0.00 H new ATOM 1361 N ASN A 447 32.304 -4.758 -16.638 1.00 0.00 N ATOM 1362 CA ASN A 447 32.745 -3.374 -16.764 1.00 0.00 C ATOM 1363 C ASN A 447 33.146 -3.060 -18.200 1.00 0.00 C ATOM 1364 O ASN A 447 32.898 -1.971 -18.709 1.00 0.00 O ATOM 1365 CB ASN A 447 33.945 -3.100 -15.821 1.00 0.00 C ATOM 1366 CG ASN A 447 34.565 -1.722 -16.037 1.00 0.00 C ATOM 1367 OD1 ASN A 447 35.502 -1.558 -16.796 1.00 0.00 O ATOM 1368 ND2 ASN A 447 34.007 -0.728 -15.367 1.00 0.00 N ATOM 0 H ASN A 447 32.924 -5.432 -17.087 1.00 0.00 H new ATOM 0 HA ASN A 447 31.911 -2.731 -16.483 1.00 0.00 H new ATOM 0 HB2 ASN A 447 33.615 -3.186 -14.786 1.00 0.00 H new ATOM 0 HB3 ASN A 447 34.706 -3.864 -15.978 1.00 0.00 H new ATOM 0 HD21 ASN A 447 34.361 0.222 -15.476 1.00 0.00 H new ATOM 0 HD22 ASN A 447 33.223 -0.912 -14.741 1.00 0.00 H new ATOM 1375 N VAL A 448 33.749 -4.046 -18.843 1.00 0.00 N ATOM 1376 CA VAL A 448 34.171 -3.969 -20.256 1.00 0.00 C ATOM 1377 C VAL A 448 33.022 -4.419 -21.154 1.00 0.00 C ATOM 1378 O VAL A 448 31.940 -4.784 -20.694 1.00 0.00 O ATOM 1379 CB VAL A 448 35.418 -4.809 -20.543 1.00 0.00 C ATOM 1380 CG1 VAL A 448 36.616 -4.333 -19.713 1.00 0.00 C ATOM 1381 CG2 VAL A 448 35.146 -6.313 -20.281 1.00 0.00 C ATOM 0 H VAL A 448 33.968 -4.940 -18.404 1.00 0.00 H new ATOM 0 HA VAL A 448 34.430 -2.931 -20.466 1.00 0.00 H new ATOM 0 HB VAL A 448 35.663 -4.679 -21.597 1.00 0.00 H new ATOM 0 HG11 VAL A 448 37.485 -4.951 -19.941 1.00 0.00 H new ATOM 0 HG12 VAL A 448 36.836 -3.293 -19.955 1.00 0.00 H new ATOM 0 HG13 VAL A 448 36.380 -4.416 -18.652 1.00 0.00 H new ATOM 0 HG21 VAL A 448 36.048 -6.888 -20.492 1.00 0.00 H new ATOM 0 HG22 VAL A 448 34.861 -6.455 -19.239 1.00 0.00 H new ATOM 0 HG23 VAL A 448 34.338 -6.655 -20.928 1.00 0.00 H new TER 1391 VAL A 448 HETATM 1392 ZN ZN A 449 3.885 14.772 -13.251 1.00 0.00 ZN HETATM 1393 ZN ZN A 450 18.115 -16.278 -1.599 1.00 0.00 ZN