USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 13 THR OG1 : rot 109:sc= 0.449 USER MOD Set 1.2: A 81 SER OG : rot -82:sc= 1.48 USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -141:sc= 0.187 (180deg=-0.62) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -57:sc= 0.505! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 88:sc= 0.916 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -0.17 (180deg=-0.442) USER MOD Single : A 24 GLN : amide:sc= -1.69 K(o=-1.7,f=-4.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl -118:sc= -0.244 (180deg=-4.1!) USER MOD Single : A 33 HIS : no HD1:sc= -0.064 K(o=-0.064,f=-2.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -113:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -2.12! (180deg=-3.33!) USER MOD Single : A 43 ASN : amide:sc= -3.1 X(o=-3.1,f=-2.7) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 120:sc= -2.39! USER MOD Single : A 50 TYR OH : rot 26:sc= -0.275 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 60 THR OG1 : rot 77:sc= 0.885 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0.0911 (180deg=0.0695) USER MOD Single : A 70 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.021) USER MOD Single : A 72 SER OG : rot -61:sc= 0.955 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 24.378 -2.577 -7.886 1.00 0.00 N ATOM 2 CA THR A 1 23.092 -3.316 -8.041 1.00 0.00 C ATOM 3 C THR A 1 22.178 -3.044 -6.844 1.00 0.00 C ATOM 4 O THR A 1 22.444 -2.180 -6.032 1.00 0.00 O ATOM 5 CB THR A 1 23.486 -4.793 -8.093 1.00 0.00 C ATOM 6 OG1 THR A 1 24.348 -5.090 -7.003 1.00 0.00 O ATOM 7 CG2 THR A 1 24.206 -5.086 -9.410 1.00 0.00 C ATOM 0 H1 THR A 1 24.678 -2.204 -8.809 1.00 0.00 H new ATOM 0 H2 THR A 1 24.247 -1.789 -7.220 1.00 0.00 H new ATOM 0 H3 THR A 1 25.107 -3.222 -7.520 1.00 0.00 H new ATOM 0 HA THR A 1 22.545 -3.010 -8.933 1.00 0.00 H new ATOM 0 HB THR A 1 22.590 -5.410 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 1 24.600 -6.037 -7.034 1.00 0.00 H new ATOM 0 HG21 THR A 1 24.486 -6.139 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 1 23.544 -4.859 -10.245 1.00 0.00 H new ATOM 0 HG23 THR A 1 25.102 -4.470 -9.480 1.00 0.00 H new ATOM 17 N LYS A 2 21.103 -3.774 -6.727 1.00 0.00 N ATOM 18 CA LYS A 2 20.176 -3.554 -5.581 1.00 0.00 C ATOM 19 C LYS A 2 19.958 -2.054 -5.362 1.00 0.00 C ATOM 20 O LYS A 2 20.511 -1.462 -4.456 1.00 0.00 O ATOM 21 CB LYS A 2 20.880 -4.176 -4.377 1.00 0.00 C ATOM 22 CG LYS A 2 20.384 -5.611 -4.181 1.00 0.00 C ATOM 23 CD LYS A 2 20.444 -5.974 -2.696 1.00 0.00 C ATOM 24 CE LYS A 2 21.893 -6.267 -2.300 1.00 0.00 C ATOM 25 NZ LYS A 2 21.799 -6.978 -0.993 1.00 0.00 N ATOM 0 H LYS A 2 20.827 -4.512 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 2 19.195 -3.997 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.959 -4.171 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 2 20.682 -3.586 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.362 -5.707 -4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.998 -6.301 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.050 -5.155 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.819 -6.845 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.390 -6.883 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.471 -5.347 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.754 -7.213 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.327 -6.365 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.249 -7.853 -1.112 1.00 0.00 H new ATOM 39 N ALA A 3 19.160 -1.436 -6.187 1.00 0.00 N ATOM 40 CA ALA A 3 18.909 0.026 -6.029 1.00 0.00 C ATOM 41 C ALA A 3 17.712 0.258 -5.112 1.00 0.00 C ATOM 42 O ALA A 3 17.111 1.314 -5.104 1.00 0.00 O ATOM 43 CB ALA A 3 18.606 0.526 -7.436 1.00 0.00 C ATOM 0 H ALA A 3 18.670 -1.879 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 3 19.757 0.546 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.409 1.598 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.461 0.332 -8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.731 0.007 -7.826 1.00 0.00 H new ATOM 49 N SER A 4 17.367 -0.726 -4.342 1.00 0.00 N ATOM 50 CA SER A 4 16.207 -0.582 -3.415 1.00 0.00 C ATOM 51 C SER A 4 14.980 -0.088 -4.185 1.00 0.00 C ATOM 52 O SER A 4 14.806 -0.389 -5.349 1.00 0.00 O ATOM 53 CB SER A 4 16.649 0.457 -2.385 1.00 0.00 C ATOM 54 OG SER A 4 16.267 1.752 -2.832 1.00 0.00 O ATOM 0 H SER A 4 17.837 -1.631 -4.310 1.00 0.00 H new ATOM 0 HA SER A 4 15.931 -1.526 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.193 0.244 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.729 0.411 -2.246 1.00 0.00 H new ATOM 0 HG SER A 4 16.658 1.922 -3.715 1.00 0.00 H new ATOM 60 N CYS A 5 14.131 0.672 -3.550 1.00 0.00 N ATOM 61 CA CYS A 5 12.922 1.185 -4.258 1.00 0.00 C ATOM 62 C CYS A 5 12.664 2.644 -3.877 1.00 0.00 C ATOM 63 O CYS A 5 13.406 3.243 -3.124 1.00 0.00 O ATOM 64 CB CYS A 5 11.769 0.303 -3.784 1.00 0.00 C ATOM 65 SG CYS A 5 12.210 -1.440 -3.989 1.00 0.00 S ATOM 0 H CYS A 5 14.220 0.960 -2.575 1.00 0.00 H new ATOM 0 HA CYS A 5 13.041 1.151 -5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.546 0.511 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.867 0.529 -4.353 1.00 0.00 H new ATOM 70 N LYS A 6 11.612 3.219 -4.393 1.00 0.00 N ATOM 71 CA LYS A 6 11.299 4.640 -4.065 1.00 0.00 C ATOM 72 C LYS A 6 9.851 4.757 -3.579 1.00 0.00 C ATOM 73 O LYS A 6 8.932 4.862 -4.367 1.00 0.00 O ATOM 74 CB LYS A 6 11.490 5.397 -5.379 1.00 0.00 C ATOM 75 CG LYS A 6 11.379 6.901 -5.123 1.00 0.00 C ATOM 76 CD LYS A 6 10.683 7.570 -6.309 1.00 0.00 C ATOM 77 CE LYS A 6 9.824 8.732 -5.805 1.00 0.00 C ATOM 78 NZ LYS A 6 8.957 9.097 -6.960 1.00 0.00 N ATOM 0 H LYS A 6 10.955 2.766 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 6 11.934 5.036 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.464 5.161 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.738 5.084 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.817 7.084 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.371 7.331 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.423 7.933 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.062 6.846 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.228 8.437 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.442 9.574 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.337 9.888 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.552 9.380 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.375 8.278 -7.230 1.00 0.00 H new ATOM 92 N LEU A 7 9.643 4.735 -2.288 1.00 0.00 N ATOM 93 CA LEU A 7 8.254 4.841 -1.749 1.00 0.00 C ATOM 94 C LEU A 7 7.446 5.871 -2.552 1.00 0.00 C ATOM 95 O LEU A 7 7.595 7.060 -2.351 1.00 0.00 O ATOM 96 CB LEU A 7 8.427 5.304 -0.302 1.00 0.00 C ATOM 97 CG LEU A 7 9.079 6.687 -0.279 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.060 7.724 0.200 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.272 6.670 0.678 1.00 0.00 C ATOM 0 H LEU A 7 10.375 4.648 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 7 7.713 3.897 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.459 5.339 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.043 4.592 0.247 1.00 0.00 H new ATOM 0 HG LEU A 7 9.418 6.946 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.525 8.710 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.207 7.736 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.722 7.465 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.738 7.655 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.931 6.412 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.999 5.931 0.341 1.00 0.00 H new ATOM 111 N PRO A 8 6.615 5.382 -3.443 1.00 0.00 N ATOM 112 CA PRO A 8 5.785 6.277 -4.283 1.00 0.00 C ATOM 113 C PRO A 8 4.837 7.111 -3.412 1.00 0.00 C ATOM 114 O PRO A 8 4.320 8.125 -3.838 1.00 0.00 O ATOM 115 CB PRO A 8 5.008 5.291 -5.163 1.00 0.00 C ATOM 116 CG PRO A 8 5.428 3.857 -4.789 1.00 0.00 C ATOM 117 CD PRO A 8 6.462 3.923 -3.660 1.00 0.00 C ATOM 0 HA PRO A 8 6.365 6.999 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.935 5.420 -5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.213 5.482 -6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.559 3.280 -4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.849 3.349 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.113 3.414 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.404 3.455 -3.946 1.00 0.00 H new ATOM 125 N VAL A 9 4.606 6.693 -2.198 1.00 0.00 N ATOM 126 CA VAL A 9 3.693 7.466 -1.304 1.00 0.00 C ATOM 127 C VAL A 9 4.341 7.658 0.070 1.00 0.00 C ATOM 128 O VAL A 9 5.162 6.870 0.494 1.00 0.00 O ATOM 129 CB VAL A 9 2.430 6.614 -1.186 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.290 7.468 -0.629 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.039 6.084 -2.568 1.00 0.00 C ATOM 0 H VAL A 9 5.008 5.851 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 9 3.476 8.459 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 9 2.620 5.776 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.389 6.861 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.566 7.846 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.102 8.306 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.138 5.476 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.850 6.922 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.851 5.476 -2.967 1.00 0.00 H new ATOM 141 N LYS A 10 3.979 8.701 0.768 1.00 0.00 N ATOM 142 CA LYS A 10 4.577 8.941 2.113 1.00 0.00 C ATOM 143 C LYS A 10 3.580 8.566 3.214 1.00 0.00 C ATOM 144 O LYS A 10 3.724 8.959 4.354 1.00 0.00 O ATOM 145 CB LYS A 10 4.884 10.438 2.149 1.00 0.00 C ATOM 146 CG LYS A 10 3.576 11.231 2.102 1.00 0.00 C ATOM 147 CD LYS A 10 3.645 12.386 3.103 1.00 0.00 C ATOM 148 CE LYS A 10 4.387 13.566 2.472 1.00 0.00 C ATOM 149 NZ LYS A 10 4.484 14.583 3.555 1.00 0.00 N ATOM 0 H LYS A 10 3.296 9.396 0.466 1.00 0.00 H new ATOM 0 HA LYS A 10 5.470 8.339 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.438 10.684 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.517 10.710 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.408 11.616 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.735 10.580 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.639 12.689 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.156 12.065 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.375 13.269 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.846 13.957 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.982 15.424 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.528 14.852 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.010 14.185 4.359 1.00 0.00 H new ATOM 163 N LYS A 11 2.573 7.804 2.882 1.00 0.00 N ATOM 164 CA LYS A 11 1.572 7.402 3.912 1.00 0.00 C ATOM 165 C LYS A 11 0.804 6.162 3.446 1.00 0.00 C ATOM 166 O LYS A 11 -0.381 6.029 3.682 1.00 0.00 O ATOM 167 CB LYS A 11 0.631 8.603 4.043 1.00 0.00 C ATOM 168 CG LYS A 11 -0.148 8.790 2.739 1.00 0.00 C ATOM 169 CD LYS A 11 -1.451 9.540 3.025 1.00 0.00 C ATOM 170 CE LYS A 11 -2.072 10.007 1.706 1.00 0.00 C ATOM 171 NZ LYS A 11 -2.651 11.347 2.006 1.00 0.00 N ATOM 0 H LYS A 11 2.400 7.443 1.944 1.00 0.00 H new ATOM 0 HA LYS A 11 2.038 7.147 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.060 8.448 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.203 9.503 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.454 9.346 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.365 7.821 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.147 8.892 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.256 10.396 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.323 10.068 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.840 9.313 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.096 11.733 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.366 11.256 2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.896 11.988 2.323 1.00 0.00 H new ATOM 185 N ALA A 12 1.468 5.257 2.781 1.00 0.00 N ATOM 186 CA ALA A 12 0.774 4.029 2.297 1.00 0.00 C ATOM 187 C ALA A 12 0.854 2.915 3.344 1.00 0.00 C ATOM 188 O ALA A 12 1.886 2.682 3.941 1.00 0.00 O ATOM 189 CB ALA A 12 1.525 3.623 1.029 1.00 0.00 C ATOM 0 H ALA A 12 2.460 5.314 2.552 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.285 4.207 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.073 2.724 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.469 4.430 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.569 3.425 1.272 1.00 0.00 H new ATOM 195 N THR A 13 -0.228 2.218 3.562 1.00 0.00 N ATOM 196 CA THR A 13 -0.215 1.109 4.559 1.00 0.00 C ATOM 197 C THR A 13 -0.165 -0.235 3.830 1.00 0.00 C ATOM 198 O THR A 13 -1.175 -0.754 3.397 1.00 0.00 O ATOM 199 CB THR A 13 -1.525 1.255 5.334 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.968 2.604 5.261 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.303 0.868 6.797 1.00 0.00 C ATOM 0 H THR A 13 -1.121 2.369 3.093 1.00 0.00 H new ATOM 0 HA THR A 13 0.650 1.150 5.222 1.00 0.00 H new ATOM 0 HB THR A 13 -2.279 0.599 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.757 2.658 4.682 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.238 0.973 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.964 -0.166 6.852 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.549 1.521 7.236 1.00 0.00 H new ATOM 209 N VAL A 14 1.003 -0.799 3.681 1.00 0.00 N ATOM 210 CA VAL A 14 1.112 -2.105 2.968 1.00 0.00 C ATOM 211 C VAL A 14 1.224 -3.257 3.971 1.00 0.00 C ATOM 212 O VAL A 14 1.167 -3.061 5.168 1.00 0.00 O ATOM 213 CB VAL A 14 2.387 -1.993 2.133 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.407 -0.646 1.408 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.610 -2.097 3.048 1.00 0.00 C ATOM 0 H VAL A 14 1.884 -0.414 4.021 1.00 0.00 H new ATOM 0 HA VAL A 14 0.236 -2.311 2.353 1.00 0.00 H new ATOM 0 HB VAL A 14 2.411 -2.800 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.317 -0.567 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.538 -0.572 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.381 0.161 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.519 -2.017 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.585 -1.291 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.598 -3.057 3.564 1.00 0.00 H new ATOM 225 N VAL A 15 1.381 -4.459 3.487 1.00 0.00 N ATOM 226 CA VAL A 15 1.493 -5.626 4.407 1.00 0.00 C ATOM 227 C VAL A 15 2.748 -6.442 4.081 1.00 0.00 C ATOM 228 O VAL A 15 2.806 -7.137 3.087 1.00 0.00 O ATOM 229 CB VAL A 15 0.235 -6.453 4.147 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.230 -7.681 5.059 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.003 -5.601 4.437 1.00 0.00 C ATOM 0 H VAL A 15 1.437 -4.683 2.493 1.00 0.00 H new ATOM 0 HA VAL A 15 1.576 -5.323 5.451 1.00 0.00 H new ATOM 0 HB VAL A 15 0.223 -6.775 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.668 -8.269 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.111 -8.289 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.243 -7.361 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.901 -6.190 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.988 -5.280 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.003 -4.726 3.787 1.00 0.00 H new ATOM 241 N TYR A 16 3.751 -6.364 4.913 1.00 0.00 N ATOM 242 CA TYR A 16 4.999 -7.137 4.650 1.00 0.00 C ATOM 243 C TYR A 16 5.157 -8.248 5.692 1.00 0.00 C ATOM 244 O TYR A 16 5.093 -8.010 6.881 1.00 0.00 O ATOM 245 CB TYR A 16 6.133 -6.116 4.773 1.00 0.00 C ATOM 246 CG TYR A 16 7.447 -6.755 4.383 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.487 -7.742 3.389 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.630 -6.355 5.018 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.708 -8.327 3.032 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.850 -6.941 4.660 1.00 0.00 C ATOM 251 CZ TYR A 16 9.889 -7.927 3.667 1.00 0.00 C ATOM 252 OH TYR A 16 11.091 -8.504 3.314 1.00 0.00 O ATOM 0 H TYR A 16 3.761 -5.799 5.762 1.00 0.00 H new ATOM 0 HA TYR A 16 4.992 -7.617 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.932 -5.258 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.189 -5.744 5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.576 -8.051 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.601 -5.594 5.784 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.738 -9.088 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.762 -6.632 5.150 1.00 0.00 H new ATOM 0 HH TYR A 16 11.484 -8.009 2.565 1.00 0.00 H new ATOM 262 N GLN A 17 5.356 -9.461 5.254 1.00 0.00 N ATOM 263 CA GLN A 17 5.509 -10.587 6.221 1.00 0.00 C ATOM 264 C GLN A 17 4.221 -10.762 7.029 1.00 0.00 C ATOM 265 O GLN A 17 4.243 -11.181 8.169 1.00 0.00 O ATOM 266 CB GLN A 17 6.665 -10.179 7.134 1.00 0.00 C ATOM 267 CG GLN A 17 7.809 -9.610 6.291 1.00 0.00 C ATOM 268 CD GLN A 17 9.118 -10.303 6.673 1.00 0.00 C ATOM 269 OE1 GLN A 17 9.719 -9.981 7.678 1.00 0.00 O ATOM 270 NE2 GLN A 17 9.589 -11.248 5.905 1.00 0.00 N ATOM 0 H GLN A 17 5.419 -9.722 4.270 1.00 0.00 H new ATOM 0 HA GLN A 17 5.705 -11.536 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.327 -9.435 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.013 -11.041 7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.602 -9.758 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.894 -8.535 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.084 -11.518 5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.462 -11.716 6.149 1.00 0.00 H new ATOM 279 N GLY A 18 3.099 -10.441 6.444 1.00 0.00 N ATOM 280 CA GLY A 18 1.808 -10.587 7.175 1.00 0.00 C ATOM 281 C GLY A 18 1.720 -9.523 8.271 1.00 0.00 C ATOM 282 O GLY A 18 1.060 -9.706 9.274 1.00 0.00 O ATOM 0 H GLY A 18 3.021 -10.084 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.972 -10.482 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.736 -11.583 7.613 1.00 0.00 H new ATOM 286 N GLU A 19 2.379 -8.411 8.087 1.00 0.00 N ATOM 287 CA GLU A 19 2.331 -7.338 9.121 1.00 0.00 C ATOM 288 C GLU A 19 1.960 -5.999 8.478 1.00 0.00 C ATOM 289 O GLU A 19 2.599 -5.548 7.549 1.00 0.00 O ATOM 290 CB GLU A 19 3.745 -7.278 9.700 1.00 0.00 C ATOM 291 CG GLU A 19 4.149 -8.665 10.206 1.00 0.00 C ATOM 292 CD GLU A 19 4.878 -8.529 11.544 1.00 0.00 C ATOM 293 OE1 GLU A 19 5.502 -7.502 11.755 1.00 0.00 O ATOM 294 OE2 GLU A 19 4.800 -9.454 12.336 1.00 0.00 O ATOM 0 H GLU A 19 2.947 -8.199 7.267 1.00 0.00 H new ATOM 0 HA GLU A 19 1.584 -7.541 9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.447 -6.938 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.785 -6.556 10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.265 -9.292 10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.794 -9.156 9.477 1.00 0.00 H new ATOM 301 N ARG A 20 0.934 -5.358 8.968 1.00 0.00 N ATOM 302 CA ARG A 20 0.527 -4.047 8.385 1.00 0.00 C ATOM 303 C ARG A 20 1.463 -2.940 8.879 1.00 0.00 C ATOM 304 O ARG A 20 1.757 -2.842 10.054 1.00 0.00 O ATOM 305 CB ARG A 20 -0.895 -3.815 8.892 1.00 0.00 C ATOM 306 CG ARG A 20 -1.750 -5.047 8.596 1.00 0.00 C ATOM 307 CD ARG A 20 -3.184 -4.801 9.074 1.00 0.00 C ATOM 308 NE ARG A 20 -3.134 -4.991 10.550 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.214 -5.328 11.200 1.00 0.00 C ATOM 310 NH1 ARG A 20 -5.356 -4.770 10.904 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.153 -6.226 12.146 1.00 0.00 N ATOM 0 H ARG A 20 0.360 -5.685 9.746 1.00 0.00 H new ATOM 0 HA ARG A 20 0.576 -4.042 7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.882 -3.617 9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.325 -2.937 8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.743 -5.259 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.333 -5.921 9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.519 -3.796 8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.881 -5.499 8.609 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.256 -4.858 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.405 -4.070 10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.200 -5.034 11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.261 -6.664 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.997 -6.490 12.654 1.00 0.00 H new ATOM 325 N VAL A 21 1.933 -2.106 7.993 1.00 0.00 N ATOM 326 CA VAL A 21 2.850 -1.011 8.415 1.00 0.00 C ATOM 327 C VAL A 21 2.852 0.111 7.375 1.00 0.00 C ATOM 328 O VAL A 21 2.546 -0.101 6.217 1.00 0.00 O ATOM 329 CB VAL A 21 4.232 -1.660 8.507 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.323 -2.488 9.788 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.452 -2.571 7.296 1.00 0.00 C ATOM 0 H VAL A 21 1.722 -2.136 6.996 1.00 0.00 H new ATOM 0 HA VAL A 21 2.547 -0.564 9.362 1.00 0.00 H new ATOM 0 HB VAL A 21 4.996 -0.883 8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.308 -2.950 9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.168 -1.841 10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.558 -3.264 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.437 -3.033 7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.687 -3.348 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.389 -1.982 6.381 1.00 0.00 H new ATOM 341 N LYS A 22 3.195 1.304 7.778 1.00 0.00 N ATOM 342 CA LYS A 22 3.218 2.439 6.812 1.00 0.00 C ATOM 343 C LYS A 22 4.553 2.466 6.066 1.00 0.00 C ATOM 344 O LYS A 22 5.564 2.886 6.596 1.00 0.00 O ATOM 345 CB LYS A 22 3.055 3.692 7.672 1.00 0.00 C ATOM 346 CG LYS A 22 1.566 3.975 7.884 1.00 0.00 C ATOM 347 CD LYS A 22 0.977 4.581 6.608 1.00 0.00 C ATOM 348 CE LYS A 22 -0.475 4.996 6.862 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.473 6.481 6.751 1.00 0.00 N ATOM 0 H LYS A 22 3.460 1.542 8.734 1.00 0.00 H new ATOM 0 HA LYS A 22 2.435 2.360 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.550 3.553 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.533 4.543 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.042 3.054 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.430 4.660 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.565 5.445 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.022 3.857 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.148 4.546 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.812 4.674 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.177 6.879 7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.470 6.846 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.711 6.757 5.777 1.00 0.00 H new ATOM 363 N ILE A 23 4.566 2.018 4.842 1.00 0.00 N ATOM 364 CA ILE A 23 5.835 2.014 4.059 1.00 0.00 C ATOM 365 C ILE A 23 6.596 3.326 4.269 1.00 0.00 C ATOM 366 O ILE A 23 7.810 3.366 4.219 1.00 0.00 O ATOM 367 CB ILE A 23 5.396 1.877 2.601 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.630 1.856 1.697 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.508 3.063 2.225 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.193 1.945 0.234 1.00 0.00 C ATOM 0 H ILE A 23 3.751 1.653 4.348 1.00 0.00 H new ATOM 0 HA ILE A 23 6.505 1.210 4.363 1.00 0.00 H new ATOM 0 HB ILE A 23 4.838 0.950 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.288 2.690 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.199 0.941 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.194 2.967 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.629 3.078 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.067 3.990 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.072 1.930 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.553 1.097 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.642 2.872 0.075 1.00 0.00 H new ATOM 382 N GLN A 24 5.895 4.400 4.501 1.00 0.00 N ATOM 383 CA GLN A 24 6.581 5.708 4.712 1.00 0.00 C ATOM 384 C GLN A 24 7.379 5.685 6.018 1.00 0.00 C ATOM 385 O GLN A 24 8.260 6.494 6.231 1.00 0.00 O ATOM 386 CB GLN A 24 5.453 6.736 4.790 1.00 0.00 C ATOM 387 CG GLN A 24 4.483 6.347 5.908 1.00 0.00 C ATOM 388 CD GLN A 24 4.187 7.570 6.777 1.00 0.00 C ATOM 389 OE1 GLN A 24 4.913 8.544 6.744 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.143 7.562 7.559 1.00 0.00 N ATOM 0 H GLN A 24 4.877 4.430 4.554 1.00 0.00 H new ATOM 0 HA GLN A 24 7.288 5.937 3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.863 7.728 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.925 6.786 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.558 5.958 5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.913 5.551 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.533 6.745 7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.936 8.373 8.142 1.00 0.00 H new ATOM 399 N GLU A 25 7.076 4.767 6.893 1.00 0.00 N ATOM 400 CA GLU A 25 7.814 4.695 8.186 1.00 0.00 C ATOM 401 C GLU A 25 8.818 3.539 8.164 1.00 0.00 C ATOM 402 O GLU A 25 9.991 3.719 8.423 1.00 0.00 O ATOM 403 CB GLU A 25 6.738 4.451 9.242 1.00 0.00 C ATOM 404 CG GLU A 25 5.962 5.746 9.487 1.00 0.00 C ATOM 405 CD GLU A 25 6.830 6.716 10.291 1.00 0.00 C ATOM 406 OE1 GLU A 25 8.027 6.489 10.360 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.284 7.667 10.824 1.00 0.00 O ATOM 0 H GLU A 25 6.349 4.063 6.769 1.00 0.00 H new ATOM 0 HA GLU A 25 8.384 5.603 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.060 3.665 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.195 4.107 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.678 6.198 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.040 5.533 10.027 1.00 0.00 H new ATOM 414 N LYS A 26 8.367 2.353 7.856 1.00 0.00 N ATOM 415 CA LYS A 26 9.301 1.191 7.817 1.00 0.00 C ATOM 416 C LYS A 26 10.303 1.358 6.673 1.00 0.00 C ATOM 417 O LYS A 26 11.361 0.760 6.669 1.00 0.00 O ATOM 418 CB LYS A 26 8.409 -0.026 7.576 1.00 0.00 C ATOM 419 CG LYS A 26 9.236 -1.303 7.735 1.00 0.00 C ATOM 420 CD LYS A 26 8.577 -2.214 8.773 1.00 0.00 C ATOM 421 CE LYS A 26 9.505 -3.392 9.080 1.00 0.00 C ATOM 422 NZ LYS A 26 8.948 -4.010 10.316 1.00 0.00 N ATOM 0 H LYS A 26 7.396 2.139 7.630 1.00 0.00 H new ATOM 0 HA LYS A 26 9.881 1.095 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.579 -0.027 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.977 0.018 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.313 -1.820 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.251 -1.055 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.369 -1.654 9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.621 -2.579 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.523 -4.105 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.531 -3.057 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.532 -4.826 10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.949 -3.310 11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.973 -4.326 10.137 1.00 0.00 H new ATOM 436 N PHE A 27 9.979 2.167 5.703 1.00 0.00 N ATOM 437 CA PHE A 27 10.912 2.374 4.559 1.00 0.00 C ATOM 438 C PHE A 27 11.130 3.870 4.318 1.00 0.00 C ATOM 439 O PHE A 27 11.003 4.356 3.212 1.00 0.00 O ATOM 440 CB PHE A 27 10.216 1.730 3.360 1.00 0.00 C ATOM 441 CG PHE A 27 10.300 0.228 3.485 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.523 -0.380 3.792 1.00 0.00 C ATOM 443 CD2 PHE A 27 9.156 -0.556 3.294 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.602 -1.772 3.911 1.00 0.00 C ATOM 445 CE2 PHE A 27 9.235 -1.949 3.413 1.00 0.00 C ATOM 446 CZ PHE A 27 10.458 -2.556 3.721 1.00 0.00 C ATOM 0 H PHE A 27 9.108 2.695 5.653 1.00 0.00 H new ATOM 0 HA PHE A 27 11.894 1.938 4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.174 2.046 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.687 2.057 2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.406 0.225 3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.213 -0.087 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.545 -2.241 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.353 -2.555 3.267 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.519 -3.630 3.812 1.00 0.00 H new ATOM 456 N LYS A 28 11.462 4.603 5.348 1.00 0.00 N ATOM 457 CA LYS A 28 11.691 6.067 5.178 1.00 0.00 C ATOM 458 C LYS A 28 12.580 6.319 3.958 1.00 0.00 C ATOM 459 O LYS A 28 12.365 7.245 3.201 1.00 0.00 O ATOM 460 CB LYS A 28 12.403 6.506 6.458 1.00 0.00 C ATOM 461 CG LYS A 28 11.483 6.280 7.660 1.00 0.00 C ATOM 462 CD LYS A 28 10.529 7.466 7.801 1.00 0.00 C ATOM 463 CE LYS A 28 10.829 8.212 9.103 1.00 0.00 C ATOM 464 NZ LYS A 28 10.111 9.511 8.978 1.00 0.00 N ATOM 0 H LYS A 28 11.584 4.252 6.298 1.00 0.00 H new ATOM 0 HA LYS A 28 10.764 6.617 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.327 5.942 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.678 7.559 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.917 5.358 7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.075 6.166 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.640 8.139 6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.496 7.118 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.480 7.650 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.900 8.364 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.270 10.079 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.469 10.027 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.092 9.335 8.863 1.00 0.00 H new ATOM 478 N ASN A 29 13.576 5.500 3.764 1.00 0.00 N ATOM 479 CA ASN A 29 14.481 5.688 2.593 1.00 0.00 C ATOM 480 C ASN A 29 14.112 4.708 1.477 1.00 0.00 C ATOM 481 O ASN A 29 14.963 4.052 0.908 1.00 0.00 O ATOM 482 CB ASN A 29 15.882 5.391 3.126 1.00 0.00 C ATOM 483 CG ASN A 29 16.368 6.572 3.969 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.716 7.609 3.438 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.409 6.459 5.268 1.00 0.00 N ATOM 0 H ASN A 29 13.803 4.708 4.365 1.00 0.00 H new ATOM 0 HA ASN A 29 14.409 6.690 2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.869 4.482 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.568 5.215 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.733 7.240 5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.117 5.589 5.714 1.00 0.00 H new ATOM 492 N GLY A 30 12.851 4.601 1.158 1.00 0.00 N ATOM 493 CA GLY A 30 12.432 3.662 0.078 1.00 0.00 C ATOM 494 C GLY A 30 12.460 2.227 0.606 1.00 0.00 C ATOM 495 O GLY A 30 12.807 1.981 1.744 1.00 0.00 O ATOM 0 H GLY A 30 12.093 5.123 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.429 3.913 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.098 3.758 -0.780 1.00 0.00 H new ATOM 499 N MET A 31 12.098 1.277 -0.213 1.00 0.00 N ATOM 500 CA MET A 31 12.105 -0.144 0.242 1.00 0.00 C ATOM 501 C MET A 31 13.322 -0.877 -0.333 1.00 0.00 C ATOM 502 O MET A 31 14.096 -0.318 -1.083 1.00 0.00 O ATOM 503 CB MET A 31 10.810 -0.742 -0.310 1.00 0.00 C ATOM 504 CG MET A 31 9.613 0.043 0.229 1.00 0.00 C ATOM 505 SD MET A 31 8.191 -1.065 0.398 1.00 0.00 S ATOM 506 CE MET A 31 7.722 -1.103 -1.349 1.00 0.00 C ATOM 0 H MET A 31 11.798 1.423 -1.177 1.00 0.00 H new ATOM 0 HA MET A 31 12.165 -0.231 1.327 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.818 -0.710 -1.400 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.730 -1.790 -0.022 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.860 0.485 1.194 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.370 0.864 -0.445 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.720 -0.691 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.428 -0.508 -1.928 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.735 -2.132 -1.707 1.00 0.00 H new ATOM 516 N LEU A 32 13.496 -2.123 0.013 1.00 0.00 N ATOM 517 CA LEU A 32 14.663 -2.888 -0.515 1.00 0.00 C ATOM 518 C LEU A 32 14.316 -3.523 -1.866 1.00 0.00 C ATOM 519 O LEU A 32 13.166 -3.597 -2.250 1.00 0.00 O ATOM 520 CB LEU A 32 14.935 -3.969 0.531 1.00 0.00 C ATOM 521 CG LEU A 32 15.069 -3.323 1.911 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.615 -4.349 2.905 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.029 -2.134 1.827 1.00 0.00 C ATOM 0 H LEU A 32 12.882 -2.645 0.638 1.00 0.00 H new ATOM 0 HA LEU A 32 15.532 -2.251 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.124 -4.697 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.848 -4.510 0.281 1.00 0.00 H new ATOM 0 HG LEU A 32 14.091 -2.978 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.710 -3.888 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.932 -5.196 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.593 -4.695 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.125 -1.673 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.007 -2.479 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.640 -1.402 1.120 1.00 0.00 H new ATOM 535 N HIS A 33 15.303 -3.981 -2.587 1.00 0.00 N ATOM 536 CA HIS A 33 15.031 -4.610 -3.911 1.00 0.00 C ATOM 537 C HIS A 33 14.456 -6.018 -3.725 1.00 0.00 C ATOM 538 O HIS A 33 14.900 -6.774 -2.883 1.00 0.00 O ATOM 539 CB HIS A 33 16.395 -4.672 -4.603 1.00 0.00 C ATOM 540 CG HIS A 33 16.328 -5.621 -5.768 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.824 -5.241 -7.002 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.699 -6.937 -5.903 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.903 -6.309 -7.818 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.429 -7.368 -7.198 1.00 0.00 N ATOM 0 H HIS A 33 16.286 -3.947 -2.317 1.00 0.00 H new ATOM 0 HA HIS A 33 14.301 -4.048 -4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.685 -3.679 -4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.158 -5.001 -3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.134 -7.544 -5.123 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.580 -6.309 -8.849 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.597 -8.295 -7.590 1.00 0.00 H new ATOM 552 N GLY A 34 13.478 -6.379 -4.512 1.00 0.00 N ATOM 553 CA GLY A 34 12.884 -7.743 -4.388 1.00 0.00 C ATOM 554 C GLY A 34 11.887 -7.795 -3.223 1.00 0.00 C ATOM 555 O GLY A 34 11.134 -8.739 -3.087 1.00 0.00 O ATOM 0 H GLY A 34 13.065 -5.790 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.381 -8.012 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.675 -8.477 -4.230 1.00 0.00 H new ATOM 559 N ASP A 35 11.872 -6.798 -2.378 1.00 0.00 N ATOM 560 CA ASP A 35 10.919 -6.811 -1.228 1.00 0.00 C ATOM 561 C ASP A 35 9.500 -7.113 -1.717 1.00 0.00 C ATOM 562 O ASP A 35 9.162 -6.871 -2.857 1.00 0.00 O ATOM 563 CB ASP A 35 10.993 -5.402 -0.636 1.00 0.00 C ATOM 564 CG ASP A 35 11.433 -5.486 0.828 1.00 0.00 C ATOM 565 OD1 ASP A 35 11.402 -6.575 1.374 1.00 0.00 O ATOM 566 OD2 ASP A 35 11.793 -4.457 1.377 1.00 0.00 O ATOM 0 H ASP A 35 12.476 -5.978 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 35 11.170 -7.576 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.697 -4.794 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.021 -4.915 -0.707 1.00 0.00 H new ATOM 571 N LYS A 36 8.663 -7.636 -0.862 1.00 0.00 N ATOM 572 CA LYS A 36 7.265 -7.947 -1.281 1.00 0.00 C ATOM 573 C LYS A 36 6.270 -7.302 -0.315 1.00 0.00 C ATOM 574 O LYS A 36 6.329 -7.511 0.881 1.00 0.00 O ATOM 575 CB LYS A 36 7.156 -9.470 -1.222 1.00 0.00 C ATOM 576 CG LYS A 36 7.686 -10.073 -2.524 1.00 0.00 C ATOM 577 CD LYS A 36 6.707 -11.131 -3.032 1.00 0.00 C ATOM 578 CE LYS A 36 7.205 -11.695 -4.363 1.00 0.00 C ATOM 579 NZ LYS A 36 6.128 -12.618 -4.813 1.00 0.00 N ATOM 0 H LYS A 36 8.886 -7.861 0.107 1.00 0.00 H new ATOM 0 HA LYS A 36 7.040 -7.563 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.724 -9.853 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.118 -9.765 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.814 -9.292 -3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.666 -10.519 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.610 -11.932 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.717 -10.693 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.375 -10.901 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.151 -12.222 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.395 -13.046 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.994 -13.367 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.241 -12.087 -4.928 1.00 0.00 H new ATOM 593 N VAL A 37 5.357 -6.521 -0.821 1.00 0.00 N ATOM 594 CA VAL A 37 4.361 -5.864 0.073 1.00 0.00 C ATOM 595 C VAL A 37 2.976 -5.860 -0.579 1.00 0.00 C ATOM 596 O VAL A 37 2.845 -5.750 -1.781 1.00 0.00 O ATOM 597 CB VAL A 37 4.866 -4.434 0.254 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.058 -4.432 1.212 1.00 0.00 C ATOM 599 CG2 VAL A 37 5.301 -3.869 -1.100 1.00 0.00 C ATOM 0 H VAL A 37 5.257 -6.309 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 37 4.262 -6.387 1.024 1.00 0.00 H new ATOM 0 HB VAL A 37 4.067 -3.817 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.419 -3.412 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.750 -4.833 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.856 -5.050 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.661 -2.849 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.100 -4.486 -1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.452 -3.870 -1.784 1.00 0.00 H new ATOM 609 N SER A 38 1.942 -5.975 0.207 1.00 0.00 N ATOM 610 CA SER A 38 0.564 -5.974 -0.365 1.00 0.00 C ATOM 611 C SER A 38 -0.137 -4.650 -0.048 1.00 0.00 C ATOM 612 O SER A 38 -0.029 -4.127 1.044 1.00 0.00 O ATOM 613 CB SER A 38 -0.150 -7.135 0.323 1.00 0.00 C ATOM 614 OG SER A 38 0.813 -8.071 0.789 1.00 0.00 O ATOM 0 H SER A 38 1.990 -6.070 1.221 1.00 0.00 H new ATOM 0 HA SER A 38 0.566 -6.082 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.748 -6.766 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.836 -7.618 -0.373 1.00 0.00 H new ATOM 0 HG SER A 38 0.730 -8.905 0.282 1.00 0.00 H new ATOM 620 N PHE A 39 -0.858 -4.106 -0.991 1.00 0.00 N ATOM 621 CA PHE A 39 -1.567 -2.818 -0.736 1.00 0.00 C ATOM 622 C PHE A 39 -3.042 -3.087 -0.423 1.00 0.00 C ATOM 623 O PHE A 39 -3.640 -4.001 -0.950 1.00 0.00 O ATOM 624 CB PHE A 39 -1.424 -2.024 -2.035 1.00 0.00 C ATOM 625 CG PHE A 39 -0.029 -1.450 -2.121 1.00 0.00 C ATOM 626 CD1 PHE A 39 1.038 -2.261 -2.523 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.195 -0.106 -1.799 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.331 -1.729 -2.604 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.488 0.426 -1.880 1.00 0.00 C ATOM 630 CZ PHE A 39 2.555 -0.386 -2.282 1.00 0.00 C ATOM 0 H PHE A 39 -0.987 -4.496 -1.925 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.156 -2.276 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.617 -2.669 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.162 -1.222 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.864 -3.298 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.629 0.520 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.154 -2.355 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.662 1.463 -1.632 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.552 0.025 -2.344 1.00 0.00 H new ATOM 640 N PHE A 40 -3.634 -2.305 0.436 1.00 0.00 N ATOM 641 CA PHE A 40 -5.067 -2.535 0.781 1.00 0.00 C ATOM 642 C PHE A 40 -5.987 -1.962 -0.299 1.00 0.00 C ATOM 643 O PHE A 40 -5.786 -0.866 -0.786 1.00 0.00 O ATOM 644 CB PHE A 40 -5.280 -1.803 2.105 1.00 0.00 C ATOM 645 CG PHE A 40 -4.847 -2.692 3.246 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.404 -3.968 3.388 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.886 -2.242 4.159 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.002 -4.794 4.442 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.483 -3.069 5.214 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.040 -4.345 5.356 1.00 0.00 C ATOM 0 H PHE A 40 -3.191 -1.520 0.913 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.299 -3.597 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.709 -0.875 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.330 -1.532 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.145 -4.315 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.456 -1.257 4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.433 -5.778 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.742 -2.722 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.728 -4.983 6.170 1.00 0.00 H new ATOM 660 N CYS A 41 -7.002 -2.695 -0.668 1.00 0.00 N ATOM 661 CA CYS A 41 -7.949 -2.200 -1.706 1.00 0.00 C ATOM 662 C CYS A 41 -9.384 -2.566 -1.313 1.00 0.00 C ATOM 663 O CYS A 41 -9.609 -3.324 -0.390 1.00 0.00 O ATOM 664 CB CYS A 41 -7.544 -2.913 -2.996 1.00 0.00 C ATOM 665 SG CYS A 41 -5.940 -2.287 -3.556 1.00 0.00 S ATOM 0 H CYS A 41 -7.216 -3.619 -0.293 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.911 -1.117 -1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.487 -3.988 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.298 -2.750 -3.766 1.00 0.00 H new ATOM 670 N LYS A 42 -10.356 -2.030 -1.997 1.00 0.00 N ATOM 671 CA LYS A 42 -11.771 -2.347 -1.648 1.00 0.00 C ATOM 672 C LYS A 42 -12.424 -3.190 -2.746 1.00 0.00 C ATOM 673 O LYS A 42 -12.137 -3.039 -3.917 1.00 0.00 O ATOM 674 CB LYS A 42 -12.460 -0.988 -1.534 1.00 0.00 C ATOM 675 CG LYS A 42 -12.121 -0.137 -2.759 1.00 0.00 C ATOM 676 CD LYS A 42 -13.046 1.079 -2.808 1.00 0.00 C ATOM 677 CE LYS A 42 -12.395 2.245 -2.062 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.031 3.225 -3.123 1.00 0.00 N ATOM 0 H LYS A 42 -10.234 -1.388 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.846 -2.926 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.539 -1.121 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.137 -0.480 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.081 0.186 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.232 -0.728 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.241 1.359 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.008 0.836 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.082 2.684 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.515 1.917 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.884 4.161 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.156 2.918 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.799 3.281 -3.822 1.00 0.00 H new ATOM 692 N ASN A 43 -13.304 -4.075 -2.368 1.00 0.00 N ATOM 693 CA ASN A 43 -13.986 -4.935 -3.377 1.00 0.00 C ATOM 694 C ASN A 43 -15.464 -4.549 -3.480 1.00 0.00 C ATOM 695 O ASN A 43 -16.122 -4.308 -2.487 1.00 0.00 O ATOM 696 CB ASN A 43 -13.839 -6.361 -2.844 1.00 0.00 C ATOM 697 CG ASN A 43 -13.820 -7.344 -4.014 1.00 0.00 C ATOM 698 OD1 ASN A 43 -12.884 -8.104 -4.169 1.00 0.00 O ATOM 699 ND2 ASN A 43 -14.819 -7.361 -4.852 1.00 0.00 N ATOM 0 H ASN A 43 -13.582 -4.241 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.558 -4.827 -4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.920 -6.451 -2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.664 -6.596 -2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.815 -8.012 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -15.605 -6.723 -4.722 1.00 0.00 H new ATOM 706 N LYS A 44 -15.991 -4.486 -4.672 1.00 0.00 N ATOM 707 CA LYS A 44 -17.426 -4.113 -4.832 1.00 0.00 C ATOM 708 C LYS A 44 -18.310 -5.362 -4.781 1.00 0.00 C ATOM 709 O LYS A 44 -19.136 -5.515 -3.902 1.00 0.00 O ATOM 710 CB LYS A 44 -17.510 -3.454 -6.209 1.00 0.00 C ATOM 711 CG LYS A 44 -17.666 -1.941 -6.042 1.00 0.00 C ATOM 712 CD LYS A 44 -19.028 -1.504 -6.583 1.00 0.00 C ATOM 713 CE LYS A 44 -19.467 -0.214 -5.886 1.00 0.00 C ATOM 714 NZ LYS A 44 -20.550 0.340 -6.746 1.00 0.00 N ATOM 0 H LYS A 44 -15.492 -4.676 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.771 -3.450 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.612 -3.676 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.355 -3.858 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.577 -1.670 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.868 -1.422 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.969 -1.346 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.766 -2.289 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.828 -0.414 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.638 0.487 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.902 1.227 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -20.176 0.527 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.329 -0.346 -6.809 1.00 0.00 H new ATOM 728 N GLU A 45 -18.147 -6.255 -5.718 1.00 0.00 N ATOM 729 CA GLU A 45 -18.981 -7.492 -5.726 1.00 0.00 C ATOM 730 C GLU A 45 -18.924 -8.187 -4.363 1.00 0.00 C ATOM 731 O GLU A 45 -19.793 -8.963 -4.016 1.00 0.00 O ATOM 732 CB GLU A 45 -18.362 -8.379 -6.807 1.00 0.00 C ATOM 733 CG GLU A 45 -18.958 -9.785 -6.716 1.00 0.00 C ATOM 734 CD GLU A 45 -19.030 -10.399 -8.115 1.00 0.00 C ATOM 735 OE1 GLU A 45 -18.830 -9.670 -9.072 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.285 -11.589 -8.206 1.00 0.00 O ATOM 0 H GLU A 45 -17.472 -6.182 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.031 -7.277 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.552 -7.955 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.280 -8.422 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.347 -10.409 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.954 -9.742 -6.274 1.00 0.00 H new ATOM 743 N LYS A 46 -17.910 -7.920 -3.585 1.00 0.00 N ATOM 744 CA LYS A 46 -17.807 -8.574 -2.248 1.00 0.00 C ATOM 745 C LYS A 46 -18.109 -7.564 -1.137 1.00 0.00 C ATOM 746 O LYS A 46 -18.499 -7.930 -0.047 1.00 0.00 O ATOM 747 CB LYS A 46 -16.364 -9.065 -2.155 1.00 0.00 C ATOM 748 CG LYS A 46 -16.225 -10.380 -2.925 1.00 0.00 C ATOM 749 CD LYS A 46 -14.826 -10.472 -3.536 1.00 0.00 C ATOM 750 CE LYS A 46 -14.253 -11.870 -3.289 1.00 0.00 C ATOM 751 NZ LYS A 46 -12.790 -11.660 -3.113 1.00 0.00 N ATOM 0 H LYS A 46 -17.151 -7.279 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.520 -9.390 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.686 -8.317 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.084 -9.210 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.397 -11.224 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.980 -10.435 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.871 -10.269 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.175 -9.717 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.696 -12.327 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.458 -12.535 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.326 -12.575 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.395 -11.230 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.625 -11.029 -2.303 1.00 0.00 H new ATOM 765 N LYS A 47 -17.936 -6.299 -1.408 1.00 0.00 N ATOM 766 CA LYS A 47 -18.217 -5.256 -0.376 1.00 0.00 C ATOM 767 C LYS A 47 -17.200 -5.333 0.768 1.00 0.00 C ATOM 768 O LYS A 47 -17.506 -5.017 1.901 1.00 0.00 O ATOM 769 CB LYS A 47 -19.622 -5.562 0.143 1.00 0.00 C ATOM 770 CG LYS A 47 -20.544 -5.910 -1.026 1.00 0.00 C ATOM 771 CD LYS A 47 -21.838 -5.101 -0.912 1.00 0.00 C ATOM 772 CE LYS A 47 -23.025 -5.973 -1.330 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.499 -6.617 -0.072 1.00 0.00 N ATOM 0 H LYS A 47 -17.610 -5.939 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.146 -4.252 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.586 -6.392 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.015 -4.701 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.048 -5.692 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.768 -6.977 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.972 -4.752 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.783 -4.216 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -23.813 -5.373 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.726 -6.719 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.312 -7.231 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.731 -7.187 0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.785 -5.883 0.607 1.00 0.00 H new ATOM 787 N CYS A 48 -15.993 -5.736 0.483 1.00 0.00 N ATOM 788 CA CYS A 48 -14.961 -5.814 1.562 1.00 0.00 C ATOM 789 C CYS A 48 -13.613 -5.346 1.018 1.00 0.00 C ATOM 790 O CYS A 48 -13.486 -4.996 -0.137 1.00 0.00 O ATOM 791 CB CYS A 48 -14.846 -7.288 1.982 1.00 0.00 C ATOM 792 SG CYS A 48 -16.376 -8.202 1.654 1.00 0.00 S ATOM 0 H CYS A 48 -15.675 -6.014 -0.445 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.241 -5.184 2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.021 -7.756 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.609 -7.346 3.044 1.00 0.00 H new ATOM 797 N SER A 49 -12.601 -5.354 1.837 1.00 0.00 N ATOM 798 CA SER A 49 -11.261 -4.926 1.360 1.00 0.00 C ATOM 799 C SER A 49 -10.308 -6.122 1.336 1.00 0.00 C ATOM 800 O SER A 49 -10.621 -7.189 1.832 1.00 0.00 O ATOM 801 CB SER A 49 -10.789 -3.887 2.371 1.00 0.00 C ATOM 802 OG SER A 49 -11.414 -4.132 3.623 1.00 0.00 O ATOM 0 H SER A 49 -12.645 -5.638 2.816 1.00 0.00 H new ATOM 0 HA SER A 49 -11.293 -4.520 0.349 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.705 -3.933 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.033 -2.884 2.020 1.00 0.00 H new ATOM 0 HG SER A 49 -10.729 -4.307 4.302 1.00 0.00 H new ATOM 808 N TYR A 50 -9.152 -5.950 0.764 1.00 0.00 N ATOM 809 CA TYR A 50 -8.170 -7.071 0.705 1.00 0.00 C ATOM 810 C TYR A 50 -6.768 -6.521 0.434 1.00 0.00 C ATOM 811 O TYR A 50 -6.566 -5.325 0.364 1.00 0.00 O ATOM 812 CB TYR A 50 -8.638 -7.954 -0.452 1.00 0.00 C ATOM 813 CG TYR A 50 -8.967 -7.091 -1.646 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.259 -6.576 -1.803 1.00 0.00 C ATOM 815 CD2 TYR A 50 -7.979 -6.808 -2.596 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.563 -5.775 -2.911 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.283 -6.008 -3.705 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.575 -5.491 -3.862 1.00 0.00 C ATOM 819 OH TYR A 50 -9.875 -4.703 -4.953 1.00 0.00 O ATOM 0 H TYR A 50 -8.841 -5.079 0.333 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.119 -7.629 1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.860 -8.672 -0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.515 -8.528 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.021 -6.796 -1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.983 -7.206 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.559 -5.376 -3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.521 -5.790 -4.439 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.621 -4.107 -4.731 1.00 0.00 H new ATOM 829 N THR A 51 -5.798 -7.379 0.274 1.00 0.00 N ATOM 830 CA THR A 51 -4.416 -6.890 0.004 1.00 0.00 C ATOM 831 C THR A 51 -3.965 -7.311 -1.395 1.00 0.00 C ATOM 832 O THR A 51 -4.313 -8.369 -1.882 1.00 0.00 O ATOM 833 CB THR A 51 -3.534 -7.548 1.065 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.924 -8.905 1.227 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.687 -6.807 2.393 1.00 0.00 C ATOM 0 H THR A 51 -5.901 -8.393 0.318 1.00 0.00 H new ATOM 0 HA THR A 51 -4.358 -5.802 0.046 1.00 0.00 H new ATOM 0 HB THR A 51 -2.492 -7.505 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.358 -9.329 1.906 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.057 -7.278 3.147 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.385 -5.767 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.728 -6.846 2.714 1.00 0.00 H new ATOM 843 N GLU A 52 -3.182 -6.491 -2.034 1.00 0.00 N ATOM 844 CA GLU A 52 -2.686 -6.832 -3.396 1.00 0.00 C ATOM 845 C GLU A 52 -1.162 -6.958 -3.359 1.00 0.00 C ATOM 846 O GLU A 52 -0.444 -6.006 -3.591 1.00 0.00 O ATOM 847 CB GLU A 52 -3.114 -5.660 -4.279 1.00 0.00 C ATOM 848 CG GLU A 52 -3.725 -6.196 -5.576 1.00 0.00 C ATOM 849 CD GLU A 52 -2.805 -7.265 -6.170 1.00 0.00 C ATOM 850 OE1 GLU A 52 -1.855 -6.895 -6.839 1.00 0.00 O ATOM 851 OE2 GLU A 52 -3.067 -8.434 -5.945 1.00 0.00 O ATOM 0 H GLU A 52 -2.862 -5.594 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.082 -7.776 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.839 -5.039 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.255 -5.027 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.711 -6.618 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.863 -5.383 -6.289 1.00 0.00 H new ATOM 858 N ASP A 53 -0.668 -8.123 -3.049 1.00 0.00 N ATOM 859 CA ASP A 53 0.806 -8.315 -2.970 1.00 0.00 C ATOM 860 C ASP A 53 1.520 -7.581 -4.106 1.00 0.00 C ATOM 861 O ASP A 53 1.039 -7.506 -5.219 1.00 0.00 O ATOM 862 CB ASP A 53 1.025 -9.820 -3.096 1.00 0.00 C ATOM 863 CG ASP A 53 0.203 -10.549 -2.030 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.266 -10.142 -0.882 1.00 0.00 O ATOM 865 OD2 ASP A 53 -0.476 -11.500 -2.382 1.00 0.00 O ATOM 0 H ASP A 53 -1.224 -8.954 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 53 1.208 -7.915 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.732 -10.158 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.083 -10.055 -2.978 1.00 0.00 H new ATOM 870 N ALA A 54 2.675 -7.052 -3.821 1.00 0.00 N ATOM 871 CA ALA A 54 3.458 -6.327 -4.862 1.00 0.00 C ATOM 872 C ALA A 54 4.937 -6.702 -4.733 1.00 0.00 C ATOM 873 O ALA A 54 5.334 -7.357 -3.790 1.00 0.00 O ATOM 874 CB ALA A 54 3.248 -4.841 -4.562 1.00 0.00 C ATOM 0 H ALA A 54 3.116 -7.090 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 54 3.144 -6.575 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.796 -4.242 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.186 -4.604 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.612 -4.617 -3.559 1.00 0.00 H new ATOM 880 N GLN A 55 5.758 -6.304 -5.664 1.00 0.00 N ATOM 881 CA GLN A 55 7.203 -6.661 -5.565 1.00 0.00 C ATOM 882 C GLN A 55 8.085 -5.428 -5.762 1.00 0.00 C ATOM 883 O GLN A 55 7.698 -4.463 -6.391 1.00 0.00 O ATOM 884 CB GLN A 55 7.443 -7.671 -6.687 1.00 0.00 C ATOM 885 CG GLN A 55 8.722 -8.457 -6.394 1.00 0.00 C ATOM 886 CD GLN A 55 8.963 -9.479 -7.508 1.00 0.00 C ATOM 887 OE1 GLN A 55 8.142 -9.638 -8.389 1.00 0.00 O ATOM 888 NE2 GLN A 55 10.063 -10.182 -7.504 1.00 0.00 N ATOM 0 H GLN A 55 5.496 -5.753 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 55 7.451 -7.067 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.595 -8.351 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.530 -7.156 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.570 -7.777 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.637 -8.965 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.752 -10.047 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.234 -10.866 -8.241 1.00 0.00 H new ATOM 897 N CYS A 56 9.275 -5.459 -5.226 1.00 0.00 N ATOM 898 CA CYS A 56 10.199 -4.304 -5.373 1.00 0.00 C ATOM 899 C CYS A 56 11.281 -4.639 -6.401 1.00 0.00 C ATOM 900 O CYS A 56 11.727 -5.765 -6.501 1.00 0.00 O ATOM 901 CB CYS A 56 10.812 -4.128 -3.985 1.00 0.00 C ATOM 902 SG CYS A 56 10.549 -2.433 -3.413 1.00 0.00 S ATOM 0 H CYS A 56 9.647 -6.242 -4.689 1.00 0.00 H new ATOM 0 HA CYS A 56 9.699 -3.399 -5.718 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.361 -4.832 -3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.879 -4.350 -4.017 1.00 0.00 H new ATOM 907 N ILE A 57 11.704 -3.676 -7.169 1.00 0.00 N ATOM 908 CA ILE A 57 12.754 -3.950 -8.192 1.00 0.00 C ATOM 909 C ILE A 57 13.829 -2.861 -8.154 1.00 0.00 C ATOM 910 O ILE A 57 13.729 -1.898 -7.420 1.00 0.00 O ATOM 911 CB ILE A 57 12.022 -3.933 -9.536 1.00 0.00 C ATOM 912 CG1 ILE A 57 10.693 -4.685 -9.411 1.00 0.00 C ATOM 913 CG2 ILE A 57 12.889 -4.613 -10.597 1.00 0.00 C ATOM 914 CD1 ILE A 57 10.966 -6.175 -9.195 1.00 0.00 C ATOM 0 H ILE A 57 11.370 -2.713 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 57 13.258 -4.901 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 57 11.828 -2.900 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.115 -4.286 -8.578 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.096 -4.541 -10.311 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.368 -4.601 -11.555 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.834 -4.079 -10.691 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.083 -5.644 -10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.020 -6.709 -9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.527 -6.569 -10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.546 -6.310 -8.282 1.00 0.00 H new ATOM 926 N ASP A 58 14.858 -3.016 -8.939 1.00 0.00 N ATOM 927 CA ASP A 58 15.956 -2.004 -8.963 1.00 0.00 C ATOM 928 C ASP A 58 15.393 -0.583 -8.853 1.00 0.00 C ATOM 929 O ASP A 58 14.968 0.007 -9.826 1.00 0.00 O ATOM 930 CB ASP A 58 16.641 -2.201 -10.314 1.00 0.00 C ATOM 931 CG ASP A 58 18.123 -1.835 -10.191 1.00 0.00 C ATOM 932 OD1 ASP A 58 18.798 -2.445 -9.378 1.00 0.00 O ATOM 933 OD2 ASP A 58 18.556 -0.952 -10.913 1.00 0.00 O ATOM 0 H ASP A 58 14.988 -3.806 -9.571 1.00 0.00 H new ATOM 0 HA ASP A 58 16.643 -2.131 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.536 -3.236 -10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.163 -1.579 -11.071 1.00 0.00 H new ATOM 938 N GLY A 59 15.401 -0.029 -7.672 1.00 0.00 N ATOM 939 CA GLY A 59 14.882 1.357 -7.480 1.00 0.00 C ATOM 940 C GLY A 59 13.586 1.562 -8.269 1.00 0.00 C ATOM 941 O GLY A 59 13.236 2.671 -8.619 1.00 0.00 O ATOM 0 H GLY A 59 15.747 -0.479 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.702 1.540 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.630 2.080 -7.806 1.00 0.00 H new ATOM 945 N THR A 60 12.862 0.512 -8.547 1.00 0.00 N ATOM 946 CA THR A 60 11.588 0.677 -9.306 1.00 0.00 C ATOM 947 C THR A 60 10.509 -0.247 -8.737 1.00 0.00 C ATOM 948 O THR A 60 10.790 -1.332 -8.274 1.00 0.00 O ATOM 949 CB THR A 60 11.922 0.285 -10.743 1.00 0.00 C ATOM 950 OG1 THR A 60 12.884 1.189 -11.268 1.00 0.00 O ATOM 951 CG2 THR A 60 10.652 0.336 -11.596 1.00 0.00 C ATOM 0 H THR A 60 13.094 -0.446 -8.284 1.00 0.00 H new ATOM 0 HA THR A 60 11.203 1.695 -9.242 1.00 0.00 H new ATOM 0 HB THR A 60 12.327 -0.727 -10.759 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.769 0.971 -10.908 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.891 0.056 -12.622 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.915 -0.358 -11.193 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.244 1.347 -11.581 1.00 0.00 H new ATOM 959 N ILE A 61 9.276 0.172 -8.777 1.00 0.00 N ATOM 960 CA ILE A 61 8.179 -0.687 -8.243 1.00 0.00 C ATOM 961 C ILE A 61 6.842 -0.271 -8.858 1.00 0.00 C ATOM 962 O ILE A 61 6.613 0.888 -9.145 1.00 0.00 O ATOM 963 CB ILE A 61 8.174 -0.445 -6.732 1.00 0.00 C ATOM 964 CG1 ILE A 61 6.899 -1.040 -6.129 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.219 1.057 -6.448 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.258 -1.895 -4.913 1.00 0.00 C ATOM 0 H ILE A 61 8.979 1.071 -9.156 1.00 0.00 H new ATOM 0 HA ILE A 61 8.328 -1.740 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 61 9.048 -0.920 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.216 -0.242 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.381 -1.646 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.215 1.224 -5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.126 1.482 -6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.348 1.538 -6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.349 -2.318 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.924 -2.701 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.757 -1.276 -4.167 1.00 0.00 H new ATOM 978 N GLU A 62 5.956 -1.205 -9.063 1.00 0.00 N ATOM 979 CA GLU A 62 4.636 -0.860 -9.661 1.00 0.00 C ATOM 980 C GLU A 62 3.549 -0.868 -8.584 1.00 0.00 C ATOM 981 O GLU A 62 3.810 -1.125 -7.426 1.00 0.00 O ATOM 982 CB GLU A 62 4.372 -1.951 -10.699 1.00 0.00 C ATOM 983 CG GLU A 62 5.621 -2.147 -11.562 1.00 0.00 C ATOM 984 CD GLU A 62 5.436 -3.374 -12.457 1.00 0.00 C ATOM 985 OE1 GLU A 62 4.448 -4.068 -12.281 1.00 0.00 O ATOM 986 OE2 GLU A 62 6.285 -3.600 -13.302 1.00 0.00 O ATOM 0 H GLU A 62 6.089 -2.192 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 62 4.633 0.135 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.110 -2.885 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.524 -1.674 -11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.797 -1.261 -12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.498 -2.275 -10.927 1.00 0.00 H new ATOM 993 N VAL A 63 2.330 -0.591 -8.958 1.00 0.00 N ATOM 994 CA VAL A 63 1.227 -0.583 -7.954 1.00 0.00 C ATOM 995 C VAL A 63 0.044 -1.421 -8.465 1.00 0.00 C ATOM 996 O VAL A 63 -0.287 -1.362 -9.632 1.00 0.00 O ATOM 997 CB VAL A 63 0.828 0.885 -7.821 1.00 0.00 C ATOM 998 CG1 VAL A 63 -0.290 1.022 -6.787 1.00 0.00 C ATOM 999 CG2 VAL A 63 2.040 1.702 -7.371 1.00 0.00 C ATOM 0 H VAL A 63 2.050 -0.370 -9.914 1.00 0.00 H new ATOM 0 HA VAL A 63 1.530 -1.010 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 63 0.476 1.253 -8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.573 2.070 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.154 0.440 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.059 0.653 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.757 2.750 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.391 1.332 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.837 1.607 -8.109 1.00 0.00 H new ATOM 1009 N PRO A 64 -0.558 -2.177 -7.579 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.710 -3.028 -7.961 1.00 0.00 C ATOM 1011 C PRO A 64 -2.868 -2.163 -8.472 1.00 0.00 C ATOM 1012 O PRO A 64 -3.035 -1.030 -8.067 1.00 0.00 O ATOM 1013 CB PRO A 64 -2.071 -3.721 -6.644 1.00 0.00 C ATOM 1014 CG PRO A 64 -1.101 -3.238 -5.547 1.00 0.00 C ATOM 1015 CD PRO A 64 -0.127 -2.225 -6.162 1.00 0.00 C ATOM 0 HA PRO A 64 -1.491 -3.731 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.100 -3.491 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.005 -4.803 -6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.655 -2.780 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.553 -4.082 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.202 -1.249 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.909 -2.549 -6.065 1.00 0.00 H new ATOM 1023 N LYS A 65 -3.667 -2.689 -9.361 1.00 0.00 N ATOM 1024 CA LYS A 65 -4.809 -1.896 -9.901 1.00 0.00 C ATOM 1025 C LYS A 65 -5.866 -1.671 -8.815 1.00 0.00 C ATOM 1026 O LYS A 65 -6.428 -0.599 -8.698 1.00 0.00 O ATOM 1027 CB LYS A 65 -5.377 -2.746 -11.039 1.00 0.00 C ATOM 1028 CG LYS A 65 -5.041 -2.093 -12.381 1.00 0.00 C ATOM 1029 CD LYS A 65 -3.583 -2.386 -12.742 1.00 0.00 C ATOM 1030 CE LYS A 65 -3.348 -2.071 -14.221 1.00 0.00 C ATOM 1031 NZ LYS A 65 -2.193 -2.925 -14.617 1.00 0.00 N ATOM 0 H LYS A 65 -3.578 -3.633 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.499 -0.909 -10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.961 -3.753 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.457 -2.843 -10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.703 -2.474 -13.159 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.203 -1.017 -12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.917 -1.787 -12.122 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.351 -3.432 -12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.231 -2.299 -14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.127 -1.014 -14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.971 -2.765 -15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.366 -2.681 -14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.435 -3.926 -14.471 1.00 0.00 H new ATOM 1045 N CYS A 66 -6.145 -2.670 -8.023 1.00 0.00 N ATOM 1046 CA CYS A 66 -7.168 -2.504 -6.949 1.00 0.00 C ATOM 1047 C CYS A 66 -6.929 -1.194 -6.192 1.00 0.00 C ATOM 1048 O CYS A 66 -7.848 -0.586 -5.680 1.00 0.00 O ATOM 1049 CB CYS A 66 -6.972 -3.706 -6.022 1.00 0.00 C ATOM 1050 SG CYS A 66 -5.436 -3.510 -5.083 1.00 0.00 S ATOM 0 H CYS A 66 -5.711 -3.592 -8.072 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.182 -2.461 -7.347 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.818 -3.793 -5.340 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.938 -4.626 -6.606 1.00 0.00 H new ATOM 1055 N PHE A 67 -5.702 -0.759 -6.118 1.00 0.00 N ATOM 1056 CA PHE A 67 -5.400 0.509 -5.394 1.00 0.00 C ATOM 1057 C PHE A 67 -6.073 1.692 -6.096 1.00 0.00 C ATOM 1058 O PHE A 67 -6.764 1.532 -7.081 1.00 0.00 O ATOM 1059 CB PHE A 67 -3.879 0.643 -5.456 1.00 0.00 C ATOM 1060 CG PHE A 67 -3.415 1.633 -4.415 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -3.679 1.400 -3.060 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -2.720 2.784 -4.805 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -3.249 2.319 -2.095 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -2.289 3.703 -3.841 1.00 0.00 C ATOM 1065 CZ PHE A 67 -2.554 3.470 -2.485 1.00 0.00 C ATOM 0 H PHE A 67 -4.894 -1.227 -6.528 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.768 0.499 -4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.411 -0.326 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.573 0.973 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.214 0.512 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.516 2.963 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.454 2.140 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.753 4.591 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.222 4.178 -1.741 1.00 0.00 H new ATOM 1075 N LYS A 68 -5.874 2.881 -5.595 1.00 0.00 N ATOM 1076 CA LYS A 68 -6.501 4.077 -6.231 1.00 0.00 C ATOM 1077 C LYS A 68 -5.876 5.358 -5.672 1.00 0.00 C ATOM 1078 O LYS A 68 -6.507 6.106 -4.951 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.997 4.011 -5.884 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.211 3.320 -4.529 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.623 4.179 -3.408 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.463 5.450 -3.242 1.00 0.00 C ATOM 1083 NZ LYS A 68 -7.672 6.334 -2.337 1.00 0.00 N ATOM 0 H LYS A 68 -5.304 3.077 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.347 4.085 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.413 5.018 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.532 3.468 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.275 3.160 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.738 2.338 -4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.608 3.616 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.591 4.441 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.641 5.931 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.439 5.222 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.272 7.116 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.336 5.784 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.856 6.719 -2.854 1.00 0.00 H new ATOM 1097 N GLU A 69 -4.639 5.618 -5.999 1.00 0.00 N ATOM 1098 CA GLU A 69 -3.974 6.850 -5.486 1.00 0.00 C ATOM 1099 C GLU A 69 -4.908 8.053 -5.625 1.00 0.00 C ATOM 1100 O GLU A 69 -4.796 9.024 -4.903 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.736 7.029 -6.367 1.00 0.00 C ATOM 1102 CG GLU A 69 -1.903 8.200 -5.843 1.00 0.00 C ATOM 1103 CD GLU A 69 -0.562 8.243 -6.579 1.00 0.00 C ATOM 1104 OE1 GLU A 69 0.088 7.212 -6.645 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -0.208 9.305 -7.063 1.00 0.00 O ATOM 0 H GLU A 69 -4.060 5.031 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.715 6.769 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.141 6.116 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.034 7.214 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.441 9.137 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.738 8.092 -4.771 1.00 0.00 H new ATOM 1112 N HIS A 70 -5.829 8.000 -6.547 1.00 0.00 N ATOM 1113 CA HIS A 70 -6.768 9.144 -6.728 1.00 0.00 C ATOM 1114 C HIS A 70 -7.958 9.006 -5.775 1.00 0.00 C ATOM 1115 O HIS A 70 -7.896 8.300 -4.788 1.00 0.00 O ATOM 1116 CB HIS A 70 -7.230 9.052 -8.183 1.00 0.00 C ATOM 1117 CG HIS A 70 -7.083 10.396 -8.842 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -8.085 10.950 -9.624 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -6.058 11.309 -8.847 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -7.645 12.144 -10.062 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -6.414 12.411 -9.618 1.00 0.00 N ATOM 0 H HIS A 70 -5.972 7.215 -7.183 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.298 10.103 -6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.640 8.307 -8.717 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.269 8.726 -8.226 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.117 11.190 -8.330 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.217 12.806 -10.695 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.855 13.244 -9.804 1.00 0.00 H new ATOM 1129 N SER A 71 -9.042 9.675 -6.062 1.00 0.00 N ATOM 1130 CA SER A 71 -10.235 9.581 -5.171 1.00 0.00 C ATOM 1131 C SER A 71 -9.808 9.673 -3.704 1.00 0.00 C ATOM 1132 O SER A 71 -10.147 8.832 -2.894 1.00 0.00 O ATOM 1133 CB SER A 71 -10.842 8.210 -5.467 1.00 0.00 C ATOM 1134 OG SER A 71 -12.155 8.382 -5.985 1.00 0.00 O ATOM 0 H SER A 71 -9.153 10.282 -6.874 1.00 0.00 H new ATOM 0 HA SER A 71 -10.946 10.389 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.223 7.672 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.872 7.609 -4.558 1.00 0.00 H new ATOM 0 HG SER A 71 -12.548 7.505 -6.178 1.00 0.00 H new ATOM 1140 N SER A 72 -9.067 10.689 -3.352 1.00 0.00 N ATOM 1141 CA SER A 72 -8.622 10.832 -1.936 1.00 0.00 C ATOM 1142 C SER A 72 -9.338 12.014 -1.275 1.00 0.00 C ATOM 1143 O SER A 72 -8.875 12.564 -0.295 1.00 0.00 O ATOM 1144 CB SER A 72 -7.119 11.093 -2.015 1.00 0.00 C ATOM 1145 OG SER A 72 -6.662 11.586 -0.764 1.00 0.00 O ATOM 0 H SER A 72 -8.751 11.425 -3.983 1.00 0.00 H new ATOM 0 HA SER A 72 -8.850 9.948 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.592 10.174 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.904 11.814 -2.804 1.00 0.00 H new ATOM 0 HG SER A 72 -7.113 12.432 -0.561 1.00 0.00 H new ATOM 1151 N LEU A 73 -10.462 12.409 -1.805 1.00 0.00 N ATOM 1152 CA LEU A 73 -11.206 13.555 -1.208 1.00 0.00 C ATOM 1153 C LEU A 73 -11.816 13.150 0.136 1.00 0.00 C ATOM 1154 O LEU A 73 -11.893 11.983 0.467 1.00 0.00 O ATOM 1155 CB LEU A 73 -12.306 13.881 -2.217 1.00 0.00 C ATOM 1156 CG LEU A 73 -11.716 14.682 -3.379 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -11.031 15.937 -2.836 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -10.693 13.823 -4.124 1.00 0.00 C ATOM 0 H LEU A 73 -10.898 11.988 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.559 14.411 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.757 12.961 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.099 14.452 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.513 14.971 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.610 16.509 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.761 16.549 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.233 15.649 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.273 14.394 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.895 13.533 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.182 12.929 -4.511 1.00 0.00 H new ATOM 1170 N ALA A 74 -12.253 14.105 0.912 1.00 0.00 N ATOM 1171 CA ALA A 74 -12.862 13.776 2.232 1.00 0.00 C ATOM 1172 C ALA A 74 -14.322 13.353 2.047 1.00 0.00 C ATOM 1173 O ALA A 74 -15.233 14.006 2.515 1.00 0.00 O ATOM 1174 CB ALA A 74 -12.776 15.072 3.040 1.00 0.00 C ATOM 0 H ALA A 74 -12.214 15.099 0.688 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.353 12.951 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.205 14.913 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.732 15.369 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.329 15.858 2.526 1.00 0.00 H new ATOM 1180 N PHE A 75 -14.553 12.262 1.365 1.00 0.00 N ATOM 1181 CA PHE A 75 -15.955 11.800 1.148 1.00 0.00 C ATOM 1182 C PHE A 75 -16.347 10.768 2.210 1.00 0.00 C ATOM 1183 O PHE A 75 -15.686 10.618 3.217 1.00 0.00 O ATOM 1184 CB PHE A 75 -15.953 11.164 -0.242 1.00 0.00 C ATOM 1185 CG PHE A 75 -16.938 11.887 -1.131 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -16.536 13.030 -1.833 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -18.251 11.416 -1.254 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -17.446 13.701 -2.659 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -19.161 12.088 -2.080 1.00 0.00 C ATOM 1190 CZ PHE A 75 -18.758 13.230 -2.782 1.00 0.00 C ATOM 0 H PHE A 75 -13.832 11.672 0.950 1.00 0.00 H new ATOM 0 HA PHE A 75 -16.673 12.617 1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -14.954 11.213 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -16.218 10.109 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.524 13.394 -1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.562 10.535 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -17.135 14.582 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -20.174 11.725 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 75 -19.460 13.748 -3.419 1.00 0.00 H new ATOM 1200 N TRP A 76 -17.420 10.057 1.990 1.00 0.00 N ATOM 1201 CA TRP A 76 -17.857 9.035 2.986 1.00 0.00 C ATOM 1202 C TRP A 76 -17.364 7.645 2.576 1.00 0.00 C ATOM 1203 O TRP A 76 -18.037 6.655 2.780 1.00 0.00 O ATOM 1204 CB TRP A 76 -19.381 9.086 2.962 1.00 0.00 C ATOM 1205 CG TRP A 76 -19.880 9.440 4.325 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -19.919 8.595 5.379 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -20.401 10.711 4.798 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -20.442 9.267 6.470 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -20.754 10.576 6.161 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -20.601 11.956 4.180 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -21.289 11.642 6.886 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -21.139 13.032 4.905 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -21.484 12.874 6.257 1.00 0.00 C ATOM 0 H TRP A 76 -18.013 10.139 1.164 1.00 0.00 H new ATOM 0 HA TRP A 76 -17.455 9.233 3.980 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -19.721 9.823 2.234 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -19.785 8.122 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -19.595 7.565 5.371 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -20.580 8.847 7.389 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -20.339 12.087 3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -21.550 11.515 7.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -21.288 13.986 4.420 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -21.899 13.704 6.810 1.00 0.00 H new ATOM 1224 N LYS A 77 -16.197 7.562 1.998 1.00 0.00 N ATOM 1225 CA LYS A 77 -15.674 6.231 1.579 1.00 0.00 C ATOM 1226 C LYS A 77 -14.450 5.850 2.416 1.00 0.00 C ATOM 1227 O LYS A 77 -13.486 6.584 2.494 1.00 0.00 O ATOM 1228 CB LYS A 77 -15.287 6.398 0.109 1.00 0.00 C ATOM 1229 CG LYS A 77 -15.278 5.030 -0.573 1.00 0.00 C ATOM 1230 CD LYS A 77 -15.534 5.204 -2.071 1.00 0.00 C ATOM 1231 CE LYS A 77 -14.199 5.369 -2.799 1.00 0.00 C ATOM 1232 NZ LYS A 77 -14.345 6.622 -3.589 1.00 0.00 N ATOM 0 H LYS A 77 -15.586 8.354 1.799 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.411 5.440 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.993 7.061 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.304 6.862 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.319 4.538 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.043 4.389 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.070 4.339 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.165 6.075 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.371 5.441 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.994 4.516 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.468 6.803 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.137 6.522 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.533 7.418 -2.946 1.00 0.00 H new ATOM 1246 N THR A 78 -14.485 4.705 3.040 1.00 0.00 N ATOM 1247 CA THR A 78 -13.327 4.270 3.872 1.00 0.00 C ATOM 1248 C THR A 78 -12.179 3.803 2.972 1.00 0.00 C ATOM 1249 O THR A 78 -12.303 2.837 2.246 1.00 0.00 O ATOM 1250 CB THR A 78 -13.860 3.108 4.709 1.00 0.00 C ATOM 1251 OG1 THR A 78 -14.959 3.553 5.491 1.00 0.00 O ATOM 1252 CG2 THR A 78 -12.753 2.587 5.628 1.00 0.00 C ATOM 0 H THR A 78 -15.267 4.050 3.010 1.00 0.00 H new ATOM 0 HA THR A 78 -12.936 5.075 4.494 1.00 0.00 H new ATOM 0 HB THR A 78 -14.187 2.305 4.048 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.302 2.808 6.027 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.135 1.758 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.912 2.243 5.026 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.422 3.388 6.290 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.066 4.480 3.012 1.00 0.00 N ATOM 1261 CA ASP A 79 -9.916 4.071 2.156 1.00 0.00 C ATOM 1262 C ASP A 79 -9.587 2.592 2.380 1.00 0.00 C ATOM 1263 O ASP A 79 -9.401 2.151 3.497 1.00 0.00 O ATOM 1264 CB ASP A 79 -8.750 4.954 2.603 1.00 0.00 C ATOM 1265 CG ASP A 79 -8.516 4.772 4.104 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -9.489 4.789 4.841 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -7.369 4.621 4.491 1.00 0.00 O ATOM 0 H ASP A 79 -10.902 5.298 3.599 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.132 4.190 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.848 4.691 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.966 5.999 2.382 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.515 1.826 1.325 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.199 0.374 1.465 1.00 0.00 C ATOM 1274 C ALA A 80 -8.111 0.160 2.521 1.00 0.00 C ATOM 1275 O ALA A 80 -8.071 -0.853 3.189 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.697 -0.050 0.088 1.00 0.00 C ATOM 0 H ALA A 80 -9.662 2.145 0.367 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.064 -0.206 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.442 -1.110 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.477 0.124 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.813 0.532 -0.172 1.00 0.00 H new ATOM 1282 N SER A 81 -7.229 1.107 2.674 1.00 0.00 N ATOM 1283 CA SER A 81 -6.142 0.958 3.684 1.00 0.00 C ATOM 1284 C SER A 81 -6.724 0.874 5.099 1.00 0.00 C ATOM 1285 O SER A 81 -6.021 0.598 6.051 1.00 0.00 O ATOM 1286 CB SER A 81 -5.289 2.216 3.534 1.00 0.00 C ATOM 1287 OG SER A 81 -4.427 2.337 4.657 1.00 0.00 O ATOM 0 H SER A 81 -7.213 1.978 2.144 1.00 0.00 H new ATOM 0 HA SER A 81 -5.565 0.047 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.704 2.165 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.928 3.095 3.456 1.00 0.00 H new ATOM 0 HG SER A 81 -4.918 2.738 5.405 1.00 0.00 H new ATOM 1293 N ASP A 82 -7.998 1.118 5.252 1.00 0.00 N ATOM 1294 CA ASP A 82 -8.602 1.056 6.615 1.00 0.00 C ATOM 1295 C ASP A 82 -9.983 0.394 6.571 1.00 0.00 C ATOM 1296 O ASP A 82 -10.852 0.701 7.364 1.00 0.00 O ATOM 1297 CB ASP A 82 -8.721 2.514 7.053 1.00 0.00 C ATOM 1298 CG ASP A 82 -7.325 3.095 7.280 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -6.634 3.328 6.301 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -6.968 3.297 8.430 1.00 0.00 O ATOM 0 H ASP A 82 -8.643 1.356 4.498 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.999 0.464 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.247 3.091 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.308 2.583 7.969 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.192 -0.512 5.657 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.519 -1.194 5.573 1.00 0.00 C ATOM 1307 C VAL A 83 -11.416 -2.617 6.121 1.00 0.00 C ATOM 1308 O VAL A 83 -10.341 -3.168 6.249 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.863 -1.223 4.085 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.346 -1.556 3.906 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.572 0.145 3.468 1.00 0.00 C ATOM 0 H VAL A 83 -9.505 -0.811 4.965 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.281 -0.679 6.157 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.259 -1.983 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.589 -1.576 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.555 -2.532 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.952 -0.798 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.817 0.125 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.175 0.904 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.515 0.383 3.592 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.527 -3.220 6.443 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.492 -4.611 6.977 1.00 0.00 C ATOM 1323 C LYS A 84 -12.398 -5.612 5.815 1.00 0.00 C ATOM 1324 O LYS A 84 -13.190 -5.552 4.895 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.819 -4.778 7.719 1.00 0.00 C ATOM 1326 CG LYS A 84 -13.796 -6.080 8.522 1.00 0.00 C ATOM 1327 CD LYS A 84 -14.144 -5.785 9.982 1.00 0.00 C ATOM 1328 CE LYS A 84 -12.901 -5.272 10.710 1.00 0.00 C ATOM 1329 NZ LYS A 84 -12.251 -6.491 11.266 1.00 0.00 N ATOM 0 H LYS A 84 -13.457 -2.810 6.360 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.635 -4.789 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.984 -3.931 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.646 -4.791 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.509 -6.790 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.811 -6.542 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.941 -5.043 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.516 -6.687 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.234 -4.745 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.168 -4.571 11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.389 -6.221 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.907 -6.968 11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.002 -7.137 10.490 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.438 -6.505 5.885 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.266 -7.515 4.813 1.00 0.00 C ATOM 1345 C PRO A 85 -12.519 -8.384 4.696 1.00 0.00 C ATOM 1346 O PRO A 85 -13.186 -8.662 5.673 1.00 0.00 O ATOM 1347 CB PRO A 85 -10.066 -8.331 5.307 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.593 -7.750 6.654 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.485 -6.556 7.018 1.00 0.00 C ATOM 0 HA PRO A 85 -11.110 -7.086 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.344 -9.378 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.258 -8.295 4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.645 -8.511 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.552 -7.436 6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.995 -6.707 7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.911 -5.634 7.106 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.852 -8.814 3.508 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.069 -9.661 3.344 1.00 0.00 C ATOM 1359 C CYS A 86 -14.005 -10.866 4.287 1.00 0.00 C ATOM 1360 O CYS A 86 -13.063 -11.631 4.175 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.048 -10.122 1.887 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.731 -10.067 1.217 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.900 -11.001 5.105 1.00 0.00 O ATOM 0 H CYS A 86 -12.338 -8.617 2.649 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.982 -9.115 3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.390 -9.481 1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.650 -11.135 1.820 1.00 0.00 H new TER 1368 CYS A 86