USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 40 THR OG1 : rot 180:sc=-0.00366 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.32 (180deg=1.24) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 147:sc= 0.547 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.2) USER MOD Single : A 41 CYS SG : rot 160:sc= -1.04 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00372) USER MOD Single : A 51 THR OG1 : rot 130:sc= -0.0348 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0525 USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.328) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.490 9.682 -2.568 1.00 0.00 N ATOM 34 CA VAL A 3 -3.608 8.539 -2.722 1.00 0.00 C ATOM 35 C VAL A 3 -2.861 8.699 -4.046 1.00 0.00 C ATOM 36 O VAL A 3 -3.422 9.208 -5.023 1.00 0.00 O ATOM 37 CB VAL A 3 -4.426 7.235 -2.615 1.00 0.00 C ATOM 38 CG1 VAL A 3 -5.707 7.237 -3.451 1.00 0.00 C ATOM 39 CG2 VAL A 3 -3.588 5.980 -2.894 1.00 0.00 C ATOM 0 HA VAL A 3 -2.863 8.485 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.738 7.198 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.226 6.287 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.354 8.051 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.455 7.374 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.217 5.095 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.178 6.033 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.772 5.920 -2.174 1.00 0.00 H new ATOM 49 N LYS A 4 -1.615 8.232 -4.071 1.00 0.00 N ATOM 50 CA LYS A 4 -0.764 8.182 -5.247 1.00 0.00 C ATOM 51 C LYS A 4 -0.244 6.759 -5.371 1.00 0.00 C ATOM 52 O LYS A 4 0.030 6.134 -4.346 1.00 0.00 O ATOM 53 CB LYS A 4 0.404 9.180 -5.069 1.00 0.00 C ATOM 54 CG LYS A 4 0.480 10.210 -6.199 1.00 0.00 C ATOM 55 CD LYS A 4 0.792 9.612 -7.574 1.00 0.00 C ATOM 56 CE LYS A 4 0.763 10.759 -8.583 1.00 0.00 C ATOM 57 NZ LYS A 4 0.935 10.285 -9.969 1.00 0.00 N ATOM 0 H LYS A 4 -1.157 7.865 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.311 8.456 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.291 9.699 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.343 8.629 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.469 10.743 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.245 10.946 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.768 9.128 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.059 8.849 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.184 11.292 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.552 11.471 -8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.909 11.096 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.850 9.799 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.168 9.625 -10.208 1.00 0.00 H new ATOM 71 N ILE A 5 -0.035 6.297 -6.601 1.00 0.00 N ATOM 72 CA ILE A 5 0.723 5.102 -6.938 1.00 0.00 C ATOM 73 C ILE A 5 1.791 5.578 -7.924 1.00 0.00 C ATOM 74 O ILE A 5 1.511 6.431 -8.772 1.00 0.00 O ATOM 75 CB ILE A 5 -0.202 4.010 -7.540 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.215 3.474 -6.505 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.628 2.845 -8.112 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.360 2.654 -7.117 1.00 0.00 C ATOM 0 H ILE A 5 -0.408 6.769 -7.425 1.00 0.00 H new ATOM 0 HA ILE A 5 1.179 4.634 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.764 4.480 -8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.685 2.855 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.638 4.316 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.041 2.092 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.287 3.218 -8.896 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.226 2.400 -7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.028 2.314 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.917 3.274 -7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.950 1.791 -7.641 1.00 0.00 H new ATOM 90 N GLU A 6 3.000 5.025 -7.830 1.00 0.00 N ATOM 91 CA GLU A 6 4.045 5.128 -8.832 1.00 0.00 C ATOM 92 C GLU A 6 5.073 4.013 -8.642 1.00 0.00 C ATOM 93 O GLU A 6 4.913 3.168 -7.761 1.00 0.00 O ATOM 94 CB GLU A 6 4.666 6.526 -8.860 1.00 0.00 C ATOM 95 CG GLU A 6 4.909 7.249 -7.527 1.00 0.00 C ATOM 96 CD GLU A 6 5.299 8.698 -7.826 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.507 8.960 -8.029 1.00 0.00 O ATOM 98 OE2 GLU A 6 4.419 9.551 -8.098 1.00 0.00 O ATOM 0 H GLU A 6 3.283 4.473 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 6 3.601 4.988 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.623 6.453 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.023 7.162 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.011 7.218 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.700 6.752 -6.965 1.00 0.00 H new ATOM 105 N LYS A 7 6.078 3.943 -9.524 1.00 0.00 N ATOM 106 CA LYS A 7 7.043 2.849 -9.579 1.00 0.00 C ATOM 107 C LYS A 7 8.442 3.411 -9.276 1.00 0.00 C ATOM 108 O LYS A 7 9.164 3.783 -10.202 1.00 0.00 O ATOM 109 CB LYS A 7 6.951 2.015 -10.873 1.00 0.00 C ATOM 110 CG LYS A 7 5.557 1.880 -11.504 1.00 0.00 C ATOM 111 CD LYS A 7 4.528 1.231 -10.576 1.00 0.00 C ATOM 112 CE LYS A 7 3.230 2.044 -10.505 1.00 0.00 C ATOM 113 NZ LYS A 7 2.431 1.969 -11.742 1.00 0.00 N ATOM 0 H LYS A 7 6.242 4.660 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 7 6.802 2.117 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.619 2.458 -11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.328 1.014 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.201 2.868 -11.794 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.635 1.289 -12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.307 0.223 -10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.951 1.134 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.629 1.685 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.472 3.087 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.567 2.538 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.989 2.337 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.172 0.979 -11.929 1.00 0.00 H new ATOM 127 N PRO A 8 8.825 3.531 -7.996 1.00 0.00 N ATOM 128 CA PRO A 8 9.966 4.319 -7.535 1.00 0.00 C ATOM 129 C PRO A 8 11.330 3.722 -7.870 1.00 0.00 C ATOM 130 O PRO A 8 12.327 4.373 -7.580 1.00 0.00 O ATOM 131 CB PRO A 8 9.786 4.453 -6.025 1.00 0.00 C ATOM 132 CG PRO A 8 8.996 3.212 -5.633 1.00 0.00 C ATOM 133 CD PRO A 8 8.173 2.887 -6.875 1.00 0.00 C ATOM 0 HA PRO A 8 9.972 5.279 -8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.746 4.493 -5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.249 5.366 -5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.656 2.387 -5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.358 3.402 -4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.117 1.809 -7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.150 3.247 -6.765 1.00 0.00 H new ATOM 141 N THR A 9 11.357 2.519 -8.457 1.00 0.00 N ATOM 142 CA THR A 9 12.491 1.633 -8.690 1.00 0.00 C ATOM 143 C THR A 9 13.268 1.287 -7.410 1.00 0.00 C ATOM 144 O THR A 9 13.383 2.088 -6.478 1.00 0.00 O ATOM 145 CB THR A 9 13.326 2.055 -9.919 1.00 0.00 C ATOM 146 OG1 THR A 9 14.537 1.339 -10.018 1.00 0.00 O ATOM 147 CG2 THR A 9 13.657 3.531 -10.071 1.00 0.00 C ATOM 0 H THR A 9 10.496 2.106 -8.814 1.00 0.00 H new ATOM 0 HA THR A 9 12.093 0.661 -8.982 1.00 0.00 H new ATOM 0 HB THR A 9 12.635 1.810 -10.726 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.030 1.638 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.246 3.680 -10.976 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.733 4.106 -10.140 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.229 3.867 -9.206 1.00 0.00 H new ATOM 155 N PRO A 10 13.816 0.058 -7.328 1.00 0.00 N ATOM 156 CA PRO A 10 14.578 -0.383 -6.176 1.00 0.00 C ATOM 157 C PRO A 10 15.778 0.521 -5.897 1.00 0.00 C ATOM 158 O PRO A 10 16.222 0.535 -4.760 1.00 0.00 O ATOM 159 CB PRO A 10 14.963 -1.845 -6.430 1.00 0.00 C ATOM 160 CG PRO A 10 14.818 -1.987 -7.943 1.00 0.00 C ATOM 161 CD PRO A 10 13.662 -1.054 -8.246 1.00 0.00 C ATOM 0 HA PRO A 10 13.981 -0.315 -5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.981 -2.056 -6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.307 -2.533 -5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.727 -1.692 -8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.599 -3.014 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.691 -0.716 -9.282 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.705 -1.554 -8.101 1.00 0.00 H new ATOM 169 N GLU A 11 16.223 1.340 -6.856 1.00 0.00 N ATOM 170 CA GLU A 11 17.139 2.450 -6.626 1.00 0.00 C ATOM 171 C GLU A 11 16.697 3.296 -5.434 1.00 0.00 C ATOM 172 O GLU A 11 17.416 3.417 -4.442 1.00 0.00 O ATOM 173 CB GLU A 11 17.193 3.335 -7.875 1.00 0.00 C ATOM 174 CG GLU A 11 17.887 2.706 -9.068 1.00 0.00 C ATOM 175 CD GLU A 11 19.233 2.076 -8.732 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.270 2.782 -8.781 1.00 0.00 O ATOM 177 OE2 GLU A 11 19.273 0.849 -8.481 1.00 0.00 O ATOM 0 H GLU A 11 15.947 1.243 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 11 18.124 2.037 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.175 3.598 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.704 4.264 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.236 1.944 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.033 3.467 -9.835 1.00 0.00 H new ATOM 184 N LYS A 12 15.507 3.895 -5.518 1.00 0.00 N ATOM 185 CA LYS A 12 15.023 4.747 -4.448 1.00 0.00 C ATOM 186 C LYS A 12 14.750 3.899 -3.215 1.00 0.00 C ATOM 187 O LYS A 12 15.037 4.341 -2.108 1.00 0.00 O ATOM 188 CB LYS A 12 13.781 5.516 -4.921 1.00 0.00 C ATOM 189 CG LYS A 12 13.396 6.703 -4.025 1.00 0.00 C ATOM 190 CD LYS A 12 14.470 7.803 -4.000 1.00 0.00 C ATOM 191 CE LYS A 12 13.958 9.132 -3.427 1.00 0.00 C ATOM 192 NZ LYS A 12 13.110 9.878 -4.385 1.00 0.00 N ATOM 0 H LYS A 12 14.872 3.803 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 12 15.776 5.487 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.957 5.881 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.939 4.826 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.456 7.128 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.225 6.345 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.318 7.461 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.836 7.968 -5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.387 8.936 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.808 9.752 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.791 10.766 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.659 10.091 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.283 9.301 -4.639 1.00 0.00 H new ATOM 206 N LEU A 13 14.219 2.681 -3.376 1.00 0.00 N ATOM 207 CA LEU A 13 13.844 1.862 -2.227 1.00 0.00 C ATOM 208 C LEU A 13 15.059 1.299 -1.470 1.00 0.00 C ATOM 209 O LEU A 13 14.921 0.982 -0.285 1.00 0.00 O ATOM 210 CB LEU A 13 12.914 0.703 -2.609 1.00 0.00 C ATOM 211 CG LEU A 13 11.463 1.014 -3.082 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.025 2.480 -2.964 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.185 0.422 -4.464 1.00 0.00 C ATOM 0 H LEU A 13 14.042 2.248 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 13 13.308 2.543 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.403 0.138 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.842 0.042 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 13 10.823 0.506 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.000 2.583 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.080 2.793 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.683 3.106 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.164 0.658 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.882 0.845 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.311 -0.660 -4.428 1.00 0.00 H new ATOM 225 N LYS A 14 16.234 1.144 -2.094 1.00 0.00 N ATOM 226 CA LYS A 14 17.475 0.881 -1.372 1.00 0.00 C ATOM 227 C LYS A 14 17.724 2.056 -0.449 1.00 0.00 C ATOM 228 O LYS A 14 17.865 1.887 0.755 1.00 0.00 O ATOM 229 CB LYS A 14 18.682 0.722 -2.321 1.00 0.00 C ATOM 230 CG LYS A 14 19.105 -0.736 -2.504 1.00 0.00 C ATOM 231 CD LYS A 14 18.190 -1.512 -3.451 1.00 0.00 C ATOM 232 CE LYS A 14 18.756 -2.908 -3.723 1.00 0.00 C ATOM 233 NZ LYS A 14 18.428 -3.870 -2.651 1.00 0.00 N ATOM 0 H LYS A 14 16.346 1.198 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 14 17.370 -0.055 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.433 1.148 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.524 1.293 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.125 -0.767 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.115 -1.230 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.194 -1.596 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.083 -0.968 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.364 -3.277 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.839 -2.843 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.834 -4.799 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.824 -3.534 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.395 -3.955 -2.565 1.00 0.00 H new ATOM 247 N GLU A 15 17.751 3.248 -1.035 1.00 0.00 N ATOM 248 CA GLU A 15 18.293 4.434 -0.383 1.00 0.00 C ATOM 249 C GLU A 15 17.332 4.950 0.691 1.00 0.00 C ATOM 250 O GLU A 15 17.749 5.573 1.663 1.00 0.00 O ATOM 251 CB GLU A 15 18.591 5.511 -1.425 1.00 0.00 C ATOM 252 CG GLU A 15 19.656 5.115 -2.457 1.00 0.00 C ATOM 253 CD GLU A 15 21.085 4.996 -1.911 1.00 0.00 C ATOM 254 OE1 GLU A 15 21.381 4.004 -1.205 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.944 5.836 -2.269 1.00 0.00 O ATOM 0 H GLU A 15 17.397 3.419 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 15 19.227 4.169 0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.668 5.758 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.918 6.416 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.373 4.160 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.652 5.852 -3.260 1.00 0.00 H new ATOM 262 N LEU A 16 16.036 4.679 0.536 1.00 0.00 N ATOM 263 CA LEU A 16 14.999 4.903 1.546 1.00 0.00 C ATOM 264 C LEU A 16 15.141 3.974 2.759 1.00 0.00 C ATOM 265 O LEU A 16 14.430 4.183 3.742 1.00 0.00 O ATOM 266 CB LEU A 16 13.608 4.700 0.912 1.00 0.00 C ATOM 267 CG LEU A 16 12.828 5.970 0.547 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.665 7.036 -0.167 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.648 5.570 -0.346 1.00 0.00 C ATOM 0 H LEU A 16 15.665 4.283 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 16 15.116 5.926 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.729 4.103 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.001 4.114 1.602 1.00 0.00 H new ATOM 0 HG LEU A 16 12.499 6.423 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.040 7.901 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.491 7.341 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.061 6.626 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.079 6.459 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.022 5.089 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.002 4.877 0.193 1.00 0.00 H new ATOM 281 N SER A 17 16.014 2.966 2.692 1.00 0.00 N ATOM 282 CA SER A 17 16.210 1.926 3.694 1.00 0.00 C ATOM 283 C SER A 17 14.948 1.082 3.914 1.00 0.00 C ATOM 284 O SER A 17 14.705 0.620 5.029 1.00 0.00 O ATOM 285 CB SER A 17 16.731 2.530 5.004 1.00 0.00 C ATOM 286 OG SER A 17 17.783 3.465 4.827 1.00 0.00 O ATOM 0 H SER A 17 16.635 2.851 1.891 1.00 0.00 H new ATOM 0 HA SER A 17 16.968 1.242 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.906 3.020 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.079 1.725 5.651 1.00 0.00 H new ATOM 0 HG SER A 17 18.064 3.810 5.700 1.00 0.00 H new ATOM 292 N VAL A 18 14.137 0.862 2.870 1.00 0.00 N ATOM 293 CA VAL A 18 12.830 0.209 2.993 1.00 0.00 C ATOM 294 C VAL A 18 12.942 -1.187 3.626 1.00 0.00 C ATOM 295 O VAL A 18 12.015 -1.612 4.306 1.00 0.00 O ATOM 296 CB VAL A 18 12.099 0.180 1.630 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.665 -0.351 1.726 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.982 1.577 1.007 1.00 0.00 C ATOM 0 H VAL A 18 14.371 1.133 1.915 1.00 0.00 H new ATOM 0 HA VAL A 18 12.223 0.804 3.676 1.00 0.00 H new ATOM 0 HB VAL A 18 12.712 -0.482 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.208 -0.346 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.679 -1.370 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.086 0.284 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.462 1.507 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.422 2.229 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.978 1.989 0.848 1.00 0.00 H new ATOM 308 N GLU A 19 14.073 -1.890 3.489 1.00 0.00 N ATOM 309 CA GLU A 19 14.323 -3.161 4.174 1.00 0.00 C ATOM 310 C GLU A 19 14.153 -3.081 5.699 1.00 0.00 C ATOM 311 O GLU A 19 13.877 -4.105 6.330 1.00 0.00 O ATOM 312 CB GLU A 19 15.740 -3.678 3.854 1.00 0.00 C ATOM 313 CG GLU A 19 16.863 -2.692 4.225 1.00 0.00 C ATOM 314 CD GLU A 19 18.114 -3.395 4.756 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.976 -3.740 3.915 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.212 -3.593 5.991 1.00 0.00 O ATOM 0 H GLU A 19 14.845 -1.589 2.895 1.00 0.00 H new ATOM 0 HA GLU A 19 13.568 -3.852 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.903 -4.615 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.803 -3.901 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.128 -2.102 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.495 -1.995 4.978 1.00 0.00 H new ATOM 323 N LYS A 20 14.340 -1.902 6.301 1.00 0.00 N ATOM 324 CA LYS A 20 14.345 -1.717 7.744 1.00 0.00 C ATOM 325 C LYS A 20 12.941 -1.495 8.286 1.00 0.00 C ATOM 326 O LYS A 20 12.708 -1.786 9.461 1.00 0.00 O ATOM 327 CB LYS A 20 15.209 -0.503 8.126 1.00 0.00 C ATOM 328 CG LYS A 20 16.661 -0.593 7.641 1.00 0.00 C ATOM 329 CD LYS A 20 17.557 0.457 8.318 1.00 0.00 C ATOM 330 CE LYS A 20 18.625 -0.193 9.205 1.00 0.00 C ATOM 331 NZ LYS A 20 18.054 -0.822 10.417 1.00 0.00 N ATOM 0 H LYS A 20 14.495 -1.037 5.783 1.00 0.00 H new ATOM 0 HA LYS A 20 14.756 -2.627 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.754 0.398 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.205 -0.394 9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.051 -1.590 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.692 -0.455 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.040 1.068 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.942 1.126 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.162 -0.946 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.354 0.561 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.818 -1.246 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.564 -0.101 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.378 -1.562 10.139 1.00 0.00 H new ATOM 345 N TRP A 21 12.039 -0.973 7.457 1.00 0.00 N ATOM 346 CA TRP A 21 10.719 -0.506 7.858 1.00 0.00 C ATOM 347 C TRP A 21 9.895 -1.696 8.414 1.00 0.00 C ATOM 348 O TRP A 21 10.231 -2.854 8.139 1.00 0.00 O ATOM 349 CB TRP A 21 10.070 0.167 6.633 1.00 0.00 C ATOM 350 CG TRP A 21 10.733 1.359 6.015 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.887 1.935 6.411 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.267 2.159 4.882 1.00 0.00 C ATOM 353 NE1 TRP A 21 12.172 3.009 5.603 1.00 0.00 N ATOM 354 CE2 TRP A 21 11.187 3.226 4.665 1.00 0.00 C ATOM 355 CE3 TRP A 21 9.146 2.100 4.026 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.991 4.198 3.672 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.933 3.071 3.029 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.846 4.128 2.856 1.00 0.00 C ATOM 0 H TRP A 21 12.215 -0.861 6.458 1.00 0.00 H new ATOM 0 HA TRP A 21 10.771 0.229 8.661 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.971 -0.592 5.857 1.00 0.00 H new ATOM 0 HB3 TRP A 21 9.061 0.465 6.919 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.495 1.602 7.239 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.014 3.579 5.688 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.437 1.293 4.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.711 4.991 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 8.063 3.004 2.393 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.669 4.881 2.102 1.00 0.00 H new ATOM 369 N PRO A 22 8.826 -1.490 9.202 1.00 0.00 N ATOM 370 CA PRO A 22 8.072 -2.594 9.801 1.00 0.00 C ATOM 371 C PRO A 22 7.291 -3.396 8.763 1.00 0.00 C ATOM 372 O PRO A 22 6.413 -2.854 8.093 1.00 0.00 O ATOM 373 CB PRO A 22 7.137 -1.950 10.815 1.00 0.00 C ATOM 374 CG PRO A 22 6.997 -0.500 10.348 1.00 0.00 C ATOM 375 CD PRO A 22 8.330 -0.204 9.668 1.00 0.00 C ATOM 0 HA PRO A 22 8.746 -3.312 10.267 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.171 -2.454 10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.549 -2.003 11.823 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.161 -0.381 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.817 0.174 11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.201 0.490 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.031 0.258 10.364 1.00 0.00 H new ATOM 383 N ILE A 23 7.588 -4.686 8.615 1.00 0.00 N ATOM 384 CA ILE A 23 6.823 -5.533 7.690 1.00 0.00 C ATOM 385 C ILE A 23 5.369 -5.561 8.179 1.00 0.00 C ATOM 386 O ILE A 23 5.113 -5.619 9.388 1.00 0.00 O ATOM 387 CB ILE A 23 7.444 -6.949 7.529 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.759 -6.840 6.721 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.477 -7.927 6.820 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.529 -8.158 6.559 1.00 0.00 C ATOM 0 H ILE A 23 8.339 -5.165 9.112 1.00 0.00 H new ATOM 0 HA ILE A 23 6.856 -5.113 6.685 1.00 0.00 H new ATOM 0 HB ILE A 23 7.642 -7.346 8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.528 -6.447 5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.409 -6.114 7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.951 -8.904 6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.562 -8.021 7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.237 -7.546 5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.435 -7.981 5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.797 -8.546 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.903 -8.884 6.041 1.00 0.00 H new ATOM 402 N TRP A 24 4.422 -5.549 7.240 1.00 0.00 N ATOM 403 CA TRP A 24 3.034 -5.883 7.497 1.00 0.00 C ATOM 404 C TRP A 24 2.558 -6.800 6.379 1.00 0.00 C ATOM 405 O TRP A 24 2.923 -6.626 5.209 1.00 0.00 O ATOM 406 CB TRP A 24 2.201 -4.602 7.601 1.00 0.00 C ATOM 407 CG TRP A 24 0.744 -4.774 7.898 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.168 -4.639 9.112 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.332 -5.151 6.991 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.190 -4.869 9.008 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.557 -5.174 7.717 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.388 -5.513 5.631 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.782 -5.491 7.110 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.608 -5.802 5.000 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.802 -5.773 5.732 1.00 0.00 C ATOM 0 H TRP A 24 4.608 -5.302 6.268 1.00 0.00 H new ATOM 0 HA TRP A 24 2.921 -6.406 8.447 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.636 -3.975 8.379 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.296 -4.057 6.662 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.689 -4.389 10.024 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.841 -4.819 9.792 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.528 -5.569 5.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.693 -5.518 7.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.626 -6.047 3.948 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.742 -5.968 5.236 1.00 0.00 H new ATOM 426 N GLU A 25 1.721 -7.761 6.748 1.00 0.00 N ATOM 427 CA GLU A 25 1.135 -8.757 5.870 1.00 0.00 C ATOM 428 C GLU A 25 -0.220 -9.228 6.400 1.00 0.00 C ATOM 429 O GLU A 25 -0.528 -9.050 7.579 1.00 0.00 O ATOM 430 CB GLU A 25 2.117 -9.921 5.675 1.00 0.00 C ATOM 431 CG GLU A 25 2.805 -10.461 6.936 1.00 0.00 C ATOM 432 CD GLU A 25 3.692 -11.662 6.612 1.00 0.00 C ATOM 433 OE1 GLU A 25 3.153 -12.735 6.247 1.00 0.00 O ATOM 434 OE2 GLU A 25 4.936 -11.531 6.677 1.00 0.00 O ATOM 0 H GLU A 25 1.420 -7.869 7.716 1.00 0.00 H new ATOM 0 HA GLU A 25 0.949 -8.308 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.580 -10.743 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.890 -9.601 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.407 -9.674 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.052 -10.750 7.669 1.00 0.00 H new ATOM 441 N LYS A 26 -1.037 -9.844 5.545 1.00 0.00 N ATOM 442 CA LYS A 26 -2.374 -10.312 5.908 1.00 0.00 C ATOM 443 C LYS A 26 -2.665 -11.621 5.183 1.00 0.00 C ATOM 444 O LYS A 26 -1.840 -12.106 4.406 1.00 0.00 O ATOM 445 CB LYS A 26 -3.423 -9.218 5.593 1.00 0.00 C ATOM 446 CG LYS A 26 -4.164 -8.681 6.836 1.00 0.00 C ATOM 447 CD LYS A 26 -5.206 -9.665 7.384 1.00 0.00 C ATOM 448 CE LYS A 26 -5.955 -9.111 8.600 1.00 0.00 C ATOM 449 NZ LYS A 26 -6.539 -10.187 9.427 1.00 0.00 N ATOM 0 H LYS A 26 -0.787 -10.033 4.574 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.427 -10.506 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.927 -8.387 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.155 -9.622 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.437 -8.457 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.657 -7.743 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.923 -9.905 6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.711 -10.596 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.272 -8.517 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.747 -8.441 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.065 -9.768 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.185 -10.759 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.778 -10.792 9.797 1.00 0.00 H new ATOM 463 N GLU A 27 -3.828 -12.184 5.495 1.00 0.00 N ATOM 464 CA GLU A 27 -4.466 -13.300 4.814 1.00 0.00 C ATOM 465 C GLU A 27 -4.964 -12.876 3.420 1.00 0.00 C ATOM 466 O GLU A 27 -4.610 -11.810 2.924 1.00 0.00 O ATOM 467 CB GLU A 27 -5.602 -13.806 5.725 1.00 0.00 C ATOM 468 CG GLU A 27 -6.800 -12.850 5.745 1.00 0.00 C ATOM 469 CD GLU A 27 -7.679 -13.004 6.979 1.00 0.00 C ATOM 470 OE1 GLU A 27 -8.547 -13.906 6.970 1.00 0.00 O ATOM 471 OE2 GLU A 27 -7.515 -12.168 7.891 1.00 0.00 O ATOM 0 H GLU A 27 -4.384 -11.849 6.282 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.760 -14.112 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.929 -14.788 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.223 -13.932 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.437 -11.824 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.405 -13.019 4.854 1.00 0.00 H new ATOM 478 N VAL A 28 -5.813 -13.699 2.804 1.00 0.00 N ATOM 479 CA VAL A 28 -6.339 -13.557 1.441 1.00 0.00 C ATOM 480 C VAL A 28 -7.847 -13.194 1.450 1.00 0.00 C ATOM 481 O VAL A 28 -8.606 -13.498 0.525 1.00 0.00 O ATOM 482 CB VAL A 28 -5.936 -14.838 0.677 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.524 -16.112 1.311 1.00 0.00 C ATOM 484 CG2 VAL A 28 -6.223 -14.759 -0.824 1.00 0.00 C ATOM 0 H VAL A 28 -6.175 -14.532 3.268 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.908 -12.712 0.904 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.853 -14.908 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.210 -16.983 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.166 -16.207 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.612 -16.050 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.917 -15.689 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.290 -14.603 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.666 -13.928 -1.258 1.00 0.00 H new ATOM 494 N SER A 29 -8.300 -12.577 2.540 1.00 0.00 N ATOM 495 CA SER A 29 -9.666 -12.136 2.786 1.00 0.00 C ATOM 496 C SER A 29 -9.791 -10.653 2.418 1.00 0.00 C ATOM 497 O SER A 29 -8.829 -10.012 1.982 1.00 0.00 O ATOM 498 CB SER A 29 -9.972 -12.415 4.266 1.00 0.00 C ATOM 499 OG SER A 29 -11.327 -12.260 4.642 1.00 0.00 O ATOM 0 H SER A 29 -7.682 -12.360 3.322 1.00 0.00 H new ATOM 0 HA SER A 29 -10.393 -12.670 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.662 -13.434 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.364 -11.749 4.878 1.00 0.00 H new ATOM 0 HG SER A 29 -11.426 -12.459 5.596 1.00 0.00 H new ATOM 505 N GLU A 30 -10.980 -10.095 2.622 1.00 0.00 N ATOM 506 CA GLU A 30 -11.246 -8.677 2.470 1.00 0.00 C ATOM 507 C GLU A 30 -11.755 -8.094 3.786 1.00 0.00 C ATOM 508 O GLU A 30 -12.205 -8.833 4.672 1.00 0.00 O ATOM 509 CB GLU A 30 -12.186 -8.431 1.280 1.00 0.00 C ATOM 510 CG GLU A 30 -13.689 -8.628 1.549 1.00 0.00 C ATOM 511 CD GLU A 30 -14.533 -8.126 0.373 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.426 -6.926 0.013 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.289 -8.923 -0.228 1.00 0.00 O ATOM 0 H GLU A 30 -11.800 -10.632 2.904 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.322 -8.149 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.032 -7.411 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.893 -9.097 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.895 -9.684 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.972 -8.095 2.457 1.00 0.00 H new ATOM 520 N PHE A 31 -11.670 -6.768 3.897 1.00 0.00 N ATOM 521 CA PHE A 31 -12.085 -5.965 5.030 1.00 0.00 C ATOM 522 C PHE A 31 -12.185 -4.499 4.571 1.00 0.00 C ATOM 523 O PHE A 31 -12.165 -4.205 3.368 1.00 0.00 O ATOM 524 CB PHE A 31 -11.137 -6.199 6.229 1.00 0.00 C ATOM 525 CG PHE A 31 -9.637 -6.124 5.973 1.00 0.00 C ATOM 526 CD1 PHE A 31 -9.002 -4.873 5.861 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.863 -7.303 5.908 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.613 -4.794 5.671 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.469 -7.229 5.732 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.852 -5.972 5.601 1.00 0.00 C ATOM 0 H PHE A 31 -11.284 -6.197 3.145 1.00 0.00 H new ATOM 0 HA PHE A 31 -13.072 -6.257 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.383 -5.467 6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.357 -7.183 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.587 -3.967 5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.343 -8.266 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.132 -3.831 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.877 -8.131 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.785 -5.912 5.445 1.00 0.00 H new ATOM 540 N ASP A 32 -12.314 -3.565 5.511 1.00 0.00 N ATOM 541 CA ASP A 32 -12.188 -2.127 5.282 1.00 0.00 C ATOM 542 C ASP A 32 -11.070 -1.623 6.175 1.00 0.00 C ATOM 543 O ASP A 32 -10.849 -2.186 7.253 1.00 0.00 O ATOM 544 CB ASP A 32 -13.443 -1.341 5.673 1.00 0.00 C ATOM 545 CG ASP A 32 -14.709 -1.691 4.906 1.00 0.00 C ATOM 546 OD1 ASP A 32 -15.289 -2.786 5.120 1.00 0.00 O ATOM 547 OD2 ASP A 32 -15.157 -0.832 4.116 1.00 0.00 O ATOM 0 H ASP A 32 -12.516 -3.795 6.484 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.008 -1.980 4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.630 -1.497 6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.240 -0.279 5.537 1.00 0.00 H new ATOM 552 N TRP A 33 -10.406 -0.548 5.756 1.00 0.00 N ATOM 553 CA TRP A 33 -9.313 0.064 6.498 1.00 0.00 C ATOM 554 C TRP A 33 -9.538 1.586 6.606 1.00 0.00 C ATOM 555 O TRP A 33 -10.553 2.103 6.119 1.00 0.00 O ATOM 556 CB TRP A 33 -8.014 -0.366 5.798 1.00 0.00 C ATOM 557 CG TRP A 33 -6.746 -0.161 6.555 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.876 0.851 6.365 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.166 -1.001 7.595 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.799 0.694 7.209 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.907 -0.448 7.971 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.566 -2.186 8.247 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.075 -1.059 8.922 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.745 -2.794 9.216 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.498 -2.241 9.548 1.00 0.00 C ATOM 0 H TRP A 33 -10.617 -0.073 4.879 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.253 -0.268 7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -8.095 -1.424 5.550 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.939 0.177 4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.004 1.659 5.660 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.016 1.345 7.263 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.517 -2.634 7.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.118 -0.623 9.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.078 -3.695 9.709 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.868 -2.723 10.281 1.00 0.00 H new ATOM 576 N TYR A 34 -8.628 2.307 7.268 1.00 0.00 N ATOM 577 CA TYR A 34 -8.584 3.768 7.327 1.00 0.00 C ATOM 578 C TYR A 34 -7.108 4.176 7.433 1.00 0.00 C ATOM 579 O TYR A 34 -6.306 3.425 7.997 1.00 0.00 O ATOM 580 CB TYR A 34 -9.410 4.282 8.530 1.00 0.00 C ATOM 581 CG TYR A 34 -9.693 5.779 8.513 1.00 0.00 C ATOM 582 CD1 TYR A 34 -8.692 6.698 8.877 1.00 0.00 C ATOM 583 CD2 TYR A 34 -10.951 6.265 8.103 1.00 0.00 C ATOM 584 CE1 TYR A 34 -8.891 8.075 8.688 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.171 7.651 7.954 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.113 8.557 8.185 1.00 0.00 C ATOM 587 OH TYR A 34 -10.230 9.889 7.931 1.00 0.00 O ATOM 0 H TYR A 34 -7.873 1.870 7.797 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.024 4.212 6.434 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.359 3.747 8.557 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.879 4.037 9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.766 6.343 9.304 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.753 5.571 7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.100 8.769 8.931 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.145 8.017 7.664 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.128 10.079 7.587 1.00 0.00 H new ATOM 597 N TYR A 35 -6.743 5.359 6.934 1.00 0.00 N ATOM 598 CA TYR A 35 -5.397 5.919 7.026 1.00 0.00 C ATOM 599 C TYR A 35 -5.504 7.366 7.521 1.00 0.00 C ATOM 600 O TYR A 35 -5.808 8.259 6.731 1.00 0.00 O ATOM 601 CB TYR A 35 -4.703 5.850 5.655 1.00 0.00 C ATOM 602 CG TYR A 35 -4.431 4.466 5.096 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.411 3.668 5.644 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.155 4.003 3.979 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.108 2.415 5.085 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.845 2.760 3.403 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.817 1.962 3.951 1.00 0.00 C ATOM 608 OH TYR A 35 -3.504 0.774 3.371 1.00 0.00 O ATOM 0 H TYR A 35 -7.395 5.969 6.441 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.795 5.344 7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.317 6.393 4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.753 6.380 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.856 4.021 6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.950 4.605 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.335 1.800 5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.394 2.414 2.540 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.314 0.369 2.997 1.00 0.00 H new ATOM 618 N ASP A 36 -5.289 7.621 8.813 1.00 0.00 N ATOM 619 CA ASP A 36 -5.409 8.929 9.464 1.00 0.00 C ATOM 620 C ASP A 36 -4.092 9.697 9.461 1.00 0.00 C ATOM 621 O ASP A 36 -3.999 10.730 10.118 1.00 0.00 O ATOM 622 CB ASP A 36 -5.935 8.789 10.903 1.00 0.00 C ATOM 623 CG ASP A 36 -6.420 10.143 11.440 1.00 0.00 C ATOM 624 OD1 ASP A 36 -7.324 10.728 10.808 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.951 10.626 12.502 1.00 0.00 O ATOM 0 H ASP A 36 -5.013 6.887 9.466 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.130 9.501 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.753 8.069 10.928 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.147 8.398 11.547 1.00 0.00 H new ATOM 630 N THR A 37 -3.096 9.204 8.720 1.00 0.00 N ATOM 631 CA THR A 37 -1.737 9.716 8.568 1.00 0.00 C ATOM 632 C THR A 37 -1.163 9.172 7.265 1.00 0.00 C ATOM 633 O THR A 37 -1.714 8.241 6.673 1.00 0.00 O ATOM 634 CB THR A 37 -0.874 9.364 9.801 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.428 8.291 10.547 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.779 10.640 10.644 1.00 0.00 C ATOM 0 H THR A 37 -3.236 8.361 8.163 1.00 0.00 H new ATOM 0 HA THR A 37 -1.742 10.805 8.513 1.00 0.00 H new ATOM 0 HB THR A 37 0.114 9.025 9.491 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.854 8.097 11.317 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.177 10.446 11.532 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.313 11.431 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.779 10.952 10.945 1.00 0.00 H new ATOM 644 N ASN A 38 -0.093 9.821 6.803 1.00 0.00 N ATOM 645 CA ASN A 38 0.631 9.469 5.591 1.00 0.00 C ATOM 646 C ASN A 38 1.178 8.072 5.774 1.00 0.00 C ATOM 647 O ASN A 38 1.742 7.767 6.826 1.00 0.00 O ATOM 648 CB ASN A 38 1.830 10.392 5.380 1.00 0.00 C ATOM 649 CG ASN A 38 1.522 11.854 5.572 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.937 12.483 4.691 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.875 12.400 6.723 1.00 0.00 N ATOM 0 H ASN A 38 0.302 10.631 7.281 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.046 9.551 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.622 10.105 6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.217 10.243 4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.664 13.380 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.359 11.841 7.426 1.00 0.00 H new ATOM 658 N GLU A 39 1.093 7.257 4.732 1.00 0.00 N ATOM 659 CA GLU A 39 1.655 5.927 4.755 1.00 0.00 C ATOM 660 C GLU A 39 2.184 5.629 3.361 1.00 0.00 C ATOM 661 O GLU A 39 1.405 5.425 2.426 1.00 0.00 O ATOM 662 CB GLU A 39 0.600 4.932 5.250 1.00 0.00 C ATOM 663 CG GLU A 39 1.265 3.590 5.559 1.00 0.00 C ATOM 664 CD GLU A 39 0.288 2.627 6.228 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.324 2.976 7.264 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.154 1.490 5.719 1.00 0.00 O ATOM 0 H GLU A 39 0.634 7.503 3.855 1.00 0.00 H new ATOM 0 HA GLU A 39 2.489 5.841 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.110 5.320 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.174 4.800 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.641 3.147 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.125 3.749 6.210 1.00 0.00 H new ATOM 673 N THR A 40 3.508 5.682 3.220 1.00 0.00 N ATOM 674 CA THR A 40 4.214 5.114 2.082 1.00 0.00 C ATOM 675 C THR A 40 4.162 3.591 2.263 1.00 0.00 C ATOM 676 O THR A 40 4.227 3.113 3.398 1.00 0.00 O ATOM 677 CB THR A 40 5.656 5.666 2.067 1.00 0.00 C ATOM 678 OG1 THR A 40 5.623 7.079 2.027 1.00 0.00 O ATOM 679 CG2 THR A 40 6.474 5.216 0.861 1.00 0.00 C ATOM 0 H THR A 40 4.123 6.126 3.902 1.00 0.00 H new ATOM 0 HA THR A 40 3.768 5.377 1.123 1.00 0.00 H new ATOM 0 HB THR A 40 6.126 5.279 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.539 7.428 2.019 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.475 5.644 0.920 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.544 4.128 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.989 5.554 -0.055 1.00 0.00 H new ATOM 687 N CYS A 41 4.022 2.807 1.193 1.00 0.00 N ATOM 688 CA CYS A 41 4.064 1.351 1.272 1.00 0.00 C ATOM 689 C CYS A 41 4.525 0.734 -0.048 1.00 0.00 C ATOM 690 O CYS A 41 4.014 1.087 -1.109 1.00 0.00 O ATOM 691 CB CYS A 41 2.707 0.784 1.721 1.00 0.00 C ATOM 692 SG CYS A 41 1.324 1.676 0.958 1.00 0.00 S ATOM 0 H CYS A 41 3.877 3.166 0.249 1.00 0.00 H new ATOM 0 HA CYS A 41 4.800 1.078 2.028 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.649 -0.272 1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.627 0.847 2.806 1.00 0.00 H new ATOM 0 HG CYS A 41 0.254 0.940 1.005 1.00 0.00 H new ATOM 698 N TYR A 42 5.483 -0.192 0.027 1.00 0.00 N ATOM 699 CA TYR A 42 6.125 -0.865 -1.097 1.00 0.00 C ATOM 700 C TYR A 42 5.651 -2.314 -1.139 1.00 0.00 C ATOM 701 O TYR A 42 5.990 -3.093 -0.245 1.00 0.00 O ATOM 702 CB TYR A 42 7.648 -0.771 -0.921 1.00 0.00 C ATOM 703 CG TYR A 42 8.478 -1.577 -1.905 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.163 -1.595 -3.279 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.590 -2.305 -1.437 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.936 -2.370 -4.164 1.00 0.00 C ATOM 707 CE2 TYR A 42 10.417 -3.003 -2.333 1.00 0.00 C ATOM 708 CZ TYR A 42 10.077 -3.058 -3.702 1.00 0.00 C ATOM 709 OH TYR A 42 10.834 -3.774 -4.579 1.00 0.00 O ATOM 0 H TYR A 42 5.850 -0.508 0.925 1.00 0.00 H new ATOM 0 HA TYR A 42 5.859 -0.393 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.940 0.276 -1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.899 -1.096 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.331 -1.016 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.809 -2.327 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.653 -2.438 -5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.309 -3.496 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 42 11.584 -4.187 -4.102 1.00 0.00 H new ATOM 719 N ILE A 43 4.814 -2.654 -2.122 1.00 0.00 N ATOM 720 CA ILE A 43 4.265 -3.992 -2.324 1.00 0.00 C ATOM 721 C ILE A 43 5.382 -4.877 -2.906 1.00 0.00 C ATOM 722 O ILE A 43 5.836 -4.630 -4.028 1.00 0.00 O ATOM 723 CB ILE A 43 3.030 -3.914 -3.258 1.00 0.00 C ATOM 724 CG1 ILE A 43 1.970 -2.850 -2.864 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.374 -5.303 -3.386 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.160 -3.168 -1.599 1.00 0.00 C ATOM 0 H ILE A 43 4.491 -1.983 -2.819 1.00 0.00 H new ATOM 0 HA ILE A 43 3.925 -4.429 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 43 3.418 -3.582 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.474 -1.894 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.278 -2.725 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.508 -5.237 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.093 -6.008 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.057 -5.648 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.448 -2.364 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.621 -4.105 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.835 -3.261 -0.748 1.00 0.00 H new ATOM 738 N LEU A 44 5.832 -5.900 -2.164 1.00 0.00 N ATOM 739 CA LEU A 44 6.892 -6.809 -2.619 1.00 0.00 C ATOM 740 C LEU A 44 6.339 -8.135 -3.128 1.00 0.00 C ATOM 741 O LEU A 44 6.912 -8.700 -4.066 1.00 0.00 O ATOM 742 CB LEU A 44 7.894 -7.109 -1.500 1.00 0.00 C ATOM 743 CG LEU A 44 8.733 -5.883 -1.102 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.367 -5.418 0.306 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.231 -6.208 -1.148 1.00 0.00 C ATOM 0 H LEU A 44 5.472 -6.119 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 44 7.391 -6.291 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.355 -7.474 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.560 -7.910 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 44 8.517 -5.088 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.970 -4.550 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.311 -5.149 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.558 -6.223 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.804 -5.326 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.448 -7.021 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.507 -6.509 -2.159 1.00 0.00 H new ATOM 757 N GLU A 45 5.244 -8.626 -2.548 1.00 0.00 N ATOM 758 CA GLU A 45 4.528 -9.797 -3.025 1.00 0.00 C ATOM 759 C GLU A 45 3.062 -9.707 -2.588 1.00 0.00 C ATOM 760 O GLU A 45 2.719 -8.943 -1.677 1.00 0.00 O ATOM 761 CB GLU A 45 5.197 -11.106 -2.552 1.00 0.00 C ATOM 762 CG GLU A 45 5.353 -11.288 -1.026 1.00 0.00 C ATOM 763 CD GLU A 45 6.781 -11.065 -0.501 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.568 -10.288 -1.081 1.00 0.00 O ATOM 765 OE2 GLU A 45 7.186 -11.674 0.518 1.00 0.00 O ATOM 0 H GLU A 45 4.826 -8.208 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 45 4.564 -9.817 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.617 -11.944 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.186 -11.167 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.681 -10.595 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.034 -12.295 -0.758 1.00 0.00 H new ATOM 772 N GLY A 46 2.217 -10.503 -3.238 1.00 0.00 N ATOM 773 CA GLY A 46 0.769 -10.524 -3.122 1.00 0.00 C ATOM 774 C GLY A 46 0.125 -9.480 -4.028 1.00 0.00 C ATOM 775 O GLY A 46 0.778 -8.862 -4.874 1.00 0.00 O ATOM 0 H GLY A 46 2.554 -11.197 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.396 -11.514 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.482 -10.337 -2.087 1.00 0.00 H new ATOM 779 N LYS A 47 -1.190 -9.306 -3.883 1.00 0.00 N ATOM 780 CA LYS A 47 -1.976 -8.389 -4.703 1.00 0.00 C ATOM 781 C LYS A 47 -3.090 -7.829 -3.840 1.00 0.00 C ATOM 782 O LYS A 47 -3.624 -8.533 -2.980 1.00 0.00 O ATOM 783 CB LYS A 47 -2.560 -9.143 -5.912 1.00 0.00 C ATOM 784 CG LYS A 47 -2.386 -8.404 -7.249 1.00 0.00 C ATOM 785 CD LYS A 47 -3.264 -7.166 -7.488 1.00 0.00 C ATOM 786 CE LYS A 47 -4.775 -7.401 -7.448 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.225 -8.388 -8.453 1.00 0.00 N ATOM 0 H LYS A 47 -1.743 -9.804 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.352 -7.578 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.083 -10.120 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.622 -9.318 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.343 -8.099 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.577 -9.114 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.012 -6.416 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.007 -6.744 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.059 -7.746 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.290 -6.456 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.258 -8.497 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.965 -8.058 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.769 -9.304 -8.268 1.00 0.00 H new ATOM 801 N VAL A 48 -3.491 -6.593 -4.107 1.00 0.00 N ATOM 802 CA VAL A 48 -4.559 -5.934 -3.364 1.00 0.00 C ATOM 803 C VAL A 48 -5.456 -5.207 -4.366 1.00 0.00 C ATOM 804 O VAL A 48 -5.004 -4.798 -5.439 1.00 0.00 O ATOM 805 CB VAL A 48 -3.979 -4.993 -2.273 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.038 -4.453 -1.292 1.00 0.00 C ATOM 807 CG2 VAL A 48 -2.877 -5.660 -1.429 1.00 0.00 C ATOM 0 H VAL A 48 -3.085 -6.018 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.162 -6.666 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.565 -4.167 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.558 -3.804 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.789 -3.886 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.517 -5.287 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.511 -4.953 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.284 -6.538 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.055 -5.962 -2.078 1.00 0.00 H new ATOM 817 N GLU A 49 -6.725 -5.058 -3.996 1.00 0.00 N ATOM 818 CA GLU A 49 -7.736 -4.230 -4.629 1.00 0.00 C ATOM 819 C GLU A 49 -8.252 -3.273 -3.543 1.00 0.00 C ATOM 820 O GLU A 49 -9.065 -3.655 -2.692 1.00 0.00 O ATOM 821 CB GLU A 49 -8.865 -5.113 -5.200 1.00 0.00 C ATOM 822 CG GLU A 49 -8.892 -5.256 -6.723 1.00 0.00 C ATOM 823 CD GLU A 49 -10.214 -5.893 -7.193 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.849 -6.688 -6.453 1.00 0.00 O ATOM 825 OE2 GLU A 49 -10.661 -5.583 -8.319 1.00 0.00 O ATOM 0 H GLU A 49 -7.097 -5.552 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.332 -3.665 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.780 -6.107 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.821 -4.703 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.771 -4.277 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.052 -5.869 -7.049 1.00 0.00 H new ATOM 832 N VAL A 50 -7.751 -2.040 -3.497 1.00 0.00 N ATOM 833 CA VAL A 50 -8.307 -0.993 -2.637 1.00 0.00 C ATOM 834 C VAL A 50 -9.446 -0.336 -3.430 1.00 0.00 C ATOM 835 O VAL A 50 -9.277 -0.064 -4.615 1.00 0.00 O ATOM 836 CB VAL A 50 -7.188 -0.006 -2.230 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.674 1.070 -1.252 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.007 -0.742 -1.565 1.00 0.00 C ATOM 0 H VAL A 50 -6.951 -1.738 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.709 -1.384 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.872 0.470 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.847 1.734 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.475 1.647 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.046 0.595 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.237 -0.021 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.357 -1.258 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.591 -1.468 -2.263 1.00 0.00 H new ATOM 848 N THR A 51 -10.598 -0.066 -2.812 1.00 0.00 N ATOM 849 CA THR A 51 -11.748 0.525 -3.503 1.00 0.00 C ATOM 850 C THR A 51 -12.346 1.614 -2.618 1.00 0.00 C ATOM 851 O THR A 51 -12.675 1.347 -1.460 1.00 0.00 O ATOM 852 CB THR A 51 -12.760 -0.575 -3.878 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.165 -1.470 -4.792 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.018 -0.034 -4.564 1.00 0.00 C ATOM 0 H THR A 51 -10.761 -0.250 -1.822 1.00 0.00 H new ATOM 0 HA THR A 51 -11.442 0.992 -4.439 1.00 0.00 H new ATOM 0 HB THR A 51 -13.043 -1.051 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.297 -2.390 -4.482 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.688 -0.861 -4.801 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.525 0.664 -3.897 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.738 0.481 -5.483 1.00 0.00 H new ATOM 862 N THR A 52 -12.431 2.848 -3.120 1.00 0.00 N ATOM 863 CA THR A 52 -13.008 3.956 -2.367 1.00 0.00 C ATOM 864 C THR A 52 -14.537 3.842 -2.362 1.00 0.00 C ATOM 865 O THR A 52 -15.122 3.019 -3.075 1.00 0.00 O ATOM 866 CB THR A 52 -12.494 5.297 -2.921 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.924 5.480 -4.254 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.962 5.397 -2.874 1.00 0.00 C ATOM 0 H THR A 52 -12.104 3.103 -4.052 1.00 0.00 H new ATOM 0 HA THR A 52 -12.689 3.912 -1.326 1.00 0.00 H new ATOM 0 HB THR A 52 -12.908 6.078 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.590 6.338 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.648 6.360 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.623 5.306 -1.842 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.527 4.596 -3.471 1.00 0.00 H new ATOM 876 N GLU A 53 -15.208 4.654 -1.547 1.00 0.00 N ATOM 877 CA GLU A 53 -16.659 4.633 -1.409 1.00 0.00 C ATOM 878 C GLU A 53 -17.338 5.004 -2.740 1.00 0.00 C ATOM 879 O GLU A 53 -18.336 4.394 -3.124 1.00 0.00 O ATOM 880 CB GLU A 53 -17.082 5.524 -0.232 1.00 0.00 C ATOM 881 CG GLU A 53 -17.022 7.025 -0.541 1.00 0.00 C ATOM 882 CD GLU A 53 -16.658 7.847 0.687 1.00 0.00 C ATOM 883 OE1 GLU A 53 -17.509 8.083 1.572 1.00 0.00 O ATOM 884 OE2 GLU A 53 -15.479 8.270 0.753 1.00 0.00 O ATOM 0 H GLU A 53 -14.753 5.352 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.996 3.623 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -18.099 5.263 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.439 5.312 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.289 7.204 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.987 7.355 -0.925 1.00 0.00 H new ATOM 891 N ASP A 54 -16.728 5.926 -3.488 1.00 0.00 N ATOM 892 CA ASP A 54 -17.119 6.438 -4.806 1.00 0.00 C ATOM 893 C ASP A 54 -16.645 5.509 -5.942 1.00 0.00 C ATOM 894 O ASP A 54 -16.585 5.888 -7.108 1.00 0.00 O ATOM 895 CB ASP A 54 -16.555 7.863 -4.924 1.00 0.00 C ATOM 896 CG ASP A 54 -16.898 8.577 -6.234 1.00 0.00 C ATOM 897 OD1 ASP A 54 -18.070 8.579 -6.678 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.975 9.176 -6.829 1.00 0.00 O ATOM 0 H ASP A 54 -15.872 6.374 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.204 6.466 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.930 8.458 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.471 7.820 -4.822 1.00 0.00 H new ATOM 903 N GLY A 55 -16.270 4.267 -5.626 1.00 0.00 N ATOM 904 CA GLY A 55 -16.159 3.204 -6.620 1.00 0.00 C ATOM 905 C GLY A 55 -14.887 3.249 -7.460 1.00 0.00 C ATOM 906 O GLY A 55 -14.740 2.429 -8.367 1.00 0.00 O ATOM 0 H GLY A 55 -16.036 3.974 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.208 2.242 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.020 3.256 -7.286 1.00 0.00 H new ATOM 910 N LYS A 56 -13.940 4.154 -7.184 1.00 0.00 N ATOM 911 CA LYS A 56 -12.615 4.052 -7.791 1.00 0.00 C ATOM 912 C LYS A 56 -11.961 2.807 -7.223 1.00 0.00 C ATOM 913 O LYS A 56 -11.599 2.774 -6.043 1.00 0.00 O ATOM 914 CB LYS A 56 -11.752 5.299 -7.551 1.00 0.00 C ATOM 915 CG LYS A 56 -12.192 6.465 -8.441 1.00 0.00 C ATOM 916 CD LYS A 56 -11.617 6.345 -9.860 1.00 0.00 C ATOM 917 CE LYS A 56 -12.129 7.496 -10.737 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.085 8.039 -11.631 1.00 0.00 N ATOM 0 H LYS A 56 -14.065 4.949 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.714 3.982 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.819 5.594 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.706 5.063 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.280 6.494 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.868 7.405 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.528 6.364 -9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.904 5.389 -10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.969 7.145 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.506 8.295 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.484 8.813 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.294 8.400 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.742 7.286 -12.262 1.00 0.00 H new ATOM 932 N LYS A 57 -11.867 1.768 -8.049 1.00 0.00 N ATOM 933 CA LYS A 57 -10.983 0.649 -7.788 1.00 0.00 C ATOM 934 C LYS A 57 -9.552 1.165 -7.897 1.00 0.00 C ATOM 935 O LYS A 57 -9.272 2.154 -8.584 1.00 0.00 O ATOM 936 CB LYS A 57 -11.230 -0.472 -8.814 1.00 0.00 C ATOM 937 CG LYS A 57 -11.344 -1.873 -8.193 1.00 0.00 C ATOM 938 CD LYS A 57 -12.796 -2.197 -7.815 1.00 0.00 C ATOM 939 CE LYS A 57 -12.860 -3.609 -7.225 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.244 -4.056 -6.969 1.00 0.00 N ATOM 0 H LYS A 57 -12.402 1.684 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.165 0.236 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.146 -0.253 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.417 -0.472 -9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.974 -2.617 -8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.713 -1.933 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.167 -1.471 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.437 -2.128 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.378 -4.307 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.296 -3.635 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.230 -5.017 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.699 -3.408 -6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.779 -4.059 -7.861 1.00 0.00 H new ATOM 954 N TYR A 58 -8.643 0.450 -7.261 1.00 0.00 N ATOM 955 CA TYR A 58 -7.207 0.527 -7.407 1.00 0.00 C ATOM 956 C TYR A 58 -6.756 -0.939 -7.435 1.00 0.00 C ATOM 957 O TYR A 58 -7.448 -1.820 -6.915 1.00 0.00 O ATOM 958 CB TYR A 58 -6.572 1.308 -6.240 1.00 0.00 C ATOM 959 CG TYR A 58 -6.944 2.781 -6.097 1.00 0.00 C ATOM 960 CD1 TYR A 58 -8.252 3.152 -5.737 1.00 0.00 C ATOM 961 CD2 TYR A 58 -5.965 3.786 -6.228 1.00 0.00 C ATOM 962 CE1 TYR A 58 -8.616 4.507 -5.669 1.00 0.00 C ATOM 963 CE2 TYR A 58 -6.290 5.143 -6.023 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.637 5.512 -5.805 1.00 0.00 C ATOM 965 OH TYR A 58 -8.014 6.817 -5.708 1.00 0.00 O ATOM 0 H TYR A 58 -8.915 -0.255 -6.575 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.900 1.064 -8.305 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.837 0.802 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.489 1.242 -6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.982 2.389 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.953 3.514 -6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.649 4.780 -5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.515 5.895 -6.033 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.230 7.393 -5.822 1.00 0.00 H new ATOM 975 N VAL A 59 -5.606 -1.208 -8.038 1.00 0.00 N ATOM 976 CA VAL A 59 -4.962 -2.511 -8.161 1.00 0.00 C ATOM 977 C VAL A 59 -3.492 -2.193 -7.915 1.00 0.00 C ATOM 978 O VAL A 59 -2.966 -1.244 -8.509 1.00 0.00 O ATOM 979 CB VAL A 59 -5.216 -3.104 -9.565 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.399 -4.378 -9.798 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.703 -3.439 -9.773 1.00 0.00 C ATOM 0 H VAL A 59 -5.060 -0.472 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.338 -3.263 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.908 -2.340 -10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.605 -4.765 -10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.337 -4.150 -9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.673 -5.127 -9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.846 -3.854 -10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.019 -4.169 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.298 -2.532 -9.668 1.00 0.00 H new ATOM 991 N ILE A 60 -2.849 -2.927 -7.011 1.00 0.00 N ATOM 992 CA ILE A 60 -1.429 -2.779 -6.712 1.00 0.00 C ATOM 993 C ILE A 60 -0.803 -4.163 -6.661 1.00 0.00 C ATOM 994 O ILE A 60 -1.289 -5.051 -5.954 1.00 0.00 O ATOM 995 CB ILE A 60 -1.188 -1.951 -5.433 1.00 0.00 C ATOM 996 CG1 ILE A 60 -1.932 -2.506 -4.198 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.512 -0.483 -5.731 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.872 -1.611 -2.956 1.00 0.00 C ATOM 0 H ILE A 60 -3.307 -3.652 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.942 -2.208 -7.502 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.137 -2.028 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.977 -2.667 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.513 -3.481 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.346 0.115 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.866 -0.123 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.554 -0.395 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.421 -2.082 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.833 -1.470 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.319 -0.643 -3.183 1.00 0.00 H new ATOM 1010 N GLU A 61 0.212 -4.347 -7.489 1.00 0.00 N ATOM 1011 CA GLU A 61 0.967 -5.565 -7.673 1.00 0.00 C ATOM 1012 C GLU A 61 2.298 -5.399 -6.960 1.00 0.00 C ATOM 1013 O GLU A 61 2.650 -4.318 -6.480 1.00 0.00 O ATOM 1014 CB GLU A 61 1.241 -5.766 -9.173 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.020 -5.880 -10.039 1.00 0.00 C ATOM 1016 CD GLU A 61 0.206 -5.254 -11.418 1.00 0.00 C ATOM 1017 OE1 GLU A 61 1.180 -5.653 -12.102 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -0.573 -4.368 -11.842 1.00 0.00 O ATOM 0 H GLU A 61 0.549 -3.595 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 61 0.415 -6.418 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.841 -4.931 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.839 -6.668 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.295 -6.929 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.853 -5.384 -9.542 1.00 0.00 H new ATOM 1025 N LYS A 62 3.082 -6.473 -6.968 1.00 0.00 N ATOM 1026 CA LYS A 62 4.487 -6.352 -6.621 1.00 0.00 C ATOM 1027 C LYS A 62 5.136 -5.350 -7.577 1.00 0.00 C ATOM 1028 O LYS A 62 5.038 -5.487 -8.803 1.00 0.00 O ATOM 1029 CB LYS A 62 5.184 -7.711 -6.536 1.00 0.00 C ATOM 1030 CG LYS A 62 5.400 -8.460 -7.859 1.00 0.00 C ATOM 1031 CD LYS A 62 4.967 -9.932 -7.729 1.00 0.00 C ATOM 1032 CE LYS A 62 5.395 -10.847 -8.885 1.00 0.00 C ATOM 1033 NZ LYS A 62 6.813 -11.256 -8.792 1.00 0.00 N ATOM 0 H LYS A 62 2.774 -7.416 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 62 4.596 -5.957 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.156 -7.566 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.601 -8.351 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.830 -7.977 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.451 -8.409 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.374 -10.333 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.881 -9.968 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.764 -11.736 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.231 -10.332 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.050 -11.872 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.420 -10.412 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.968 -11.772 -7.903 1.00 0.00 H new ATOM 1047 N GLY A 63 5.768 -4.340 -6.999 1.00 0.00 N ATOM 1048 CA GLY A 63 6.424 -3.257 -7.721 1.00 0.00 C ATOM 1049 C GLY A 63 5.629 -1.953 -7.827 1.00 0.00 C ATOM 1050 O GLY A 63 6.158 -1.005 -8.412 1.00 0.00 O ATOM 0 H GLY A 63 5.842 -4.247 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.375 -3.043 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.654 -3.604 -8.728 1.00 0.00 H new ATOM 1054 N ASP A 64 4.413 -1.846 -7.283 1.00 0.00 N ATOM 1055 CA ASP A 64 3.751 -0.553 -7.103 1.00 0.00 C ATOM 1056 C ASP A 64 4.117 -0.067 -5.698 1.00 0.00 C ATOM 1057 O ASP A 64 3.892 -0.788 -4.720 1.00 0.00 O ATOM 1058 CB ASP A 64 2.223 -0.687 -7.274 1.00 0.00 C ATOM 1059 CG ASP A 64 1.756 -1.063 -8.691 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.664 -0.202 -9.596 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.347 -2.215 -8.917 1.00 0.00 O ATOM 0 H ASP A 64 3.866 -2.644 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 64 4.079 0.165 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.860 -1.441 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.757 0.258 -6.993 1.00 0.00 H new ATOM 1066 N LEU A 65 4.701 1.131 -5.571 1.00 0.00 N ATOM 1067 CA LEU A 65 4.705 1.852 -4.310 1.00 0.00 C ATOM 1068 C LEU A 65 3.428 2.683 -4.280 1.00 0.00 C ATOM 1069 O LEU A 65 3.010 3.210 -5.316 1.00 0.00 O ATOM 1070 CB LEU A 65 5.937 2.751 -4.229 1.00 0.00 C ATOM 1071 CG LEU A 65 6.029 3.647 -2.972 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.546 2.874 -1.755 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.886 4.888 -3.219 1.00 0.00 C ATOM 0 H LEU A 65 5.176 1.615 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 65 4.741 1.171 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.827 2.123 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.957 3.391 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 65 5.013 3.976 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.595 3.541 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.871 2.047 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.541 2.483 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.925 5.490 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.895 4.584 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.450 5.476 -4.026 1.00 0.00 H new ATOM 1085 N VAL A 66 2.864 2.867 -3.094 1.00 0.00 N ATOM 1086 CA VAL A 66 1.709 3.717 -2.859 1.00 0.00 C ATOM 1087 C VAL A 66 2.089 4.697 -1.755 1.00 0.00 C ATOM 1088 O VAL A 66 2.887 4.361 -0.878 1.00 0.00 O ATOM 1089 CB VAL A 66 0.500 2.830 -2.479 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.845 3.557 -2.613 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.440 1.504 -3.261 1.00 0.00 C ATOM 0 H VAL A 66 3.208 2.416 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 66 1.421 4.282 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 66 0.667 2.597 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.653 2.882 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.855 4.427 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.983 3.879 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.433 0.933 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.367 1.714 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.343 0.925 -3.066 1.00 0.00 H new ATOM 1101 N THR A 67 1.493 5.885 -1.782 1.00 0.00 N ATOM 1102 CA THR A 67 1.482 6.805 -0.660 1.00 0.00 C ATOM 1103 C THR A 67 0.048 7.295 -0.489 1.00 0.00 C ATOM 1104 O THR A 67 -0.473 8.012 -1.351 1.00 0.00 O ATOM 1105 CB THR A 67 2.468 7.959 -0.875 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.780 7.489 -1.119 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.515 8.853 0.377 1.00 0.00 C ATOM 0 H THR A 67 0.997 6.237 -2.601 1.00 0.00 H new ATOM 0 HA THR A 67 1.811 6.305 0.251 1.00 0.00 H new ATOM 0 HB THR A 67 2.119 8.519 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.381 8.251 -1.253 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.218 9.670 0.215 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.523 9.261 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.837 8.262 1.234 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.605 6.896 0.599 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.893 7.452 1.000 1.00 0.00 C ATOM 1117 C PHE A 68 -1.677 8.867 1.585 1.00 0.00 C ATOM 1118 O PHE A 68 -0.571 9.172 2.052 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.537 6.479 2.001 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.829 5.115 1.389 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.956 4.938 0.561 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -1.952 4.033 1.602 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.219 3.688 -0.031 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.209 2.788 1.001 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.344 2.610 0.192 1.00 0.00 C ATOM 0 H PHE A 68 -0.254 6.175 1.229 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.570 7.563 0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.875 6.354 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.465 6.911 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.623 5.768 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.081 4.160 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.091 3.557 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.530 1.964 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.544 1.648 -0.257 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.693 9.752 1.564 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.617 11.072 2.188 1.00 0.00 C ATOM 1137 C PRO A 69 -2.727 10.922 3.714 1.00 0.00 C ATOM 1138 O PRO A 69 -2.621 9.815 4.241 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.782 11.854 1.569 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.850 10.780 1.397 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.044 9.520 1.068 1.00 0.00 C ATOM 0 HA PRO A 69 -1.676 11.595 2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.120 12.661 2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.506 12.307 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.440 10.653 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.546 11.031 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.485 8.643 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.036 9.334 -0.006 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.979 12.012 4.437 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.467 11.944 5.811 1.00 0.00 C ATOM 1151 C LYS A 70 -4.991 12.062 5.759 1.00 0.00 C ATOM 1152 O LYS A 70 -5.490 13.058 5.237 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.778 13.050 6.627 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.221 13.067 8.095 1.00 0.00 C ATOM 1155 CD LYS A 70 -2.240 13.859 8.961 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.616 13.795 10.445 1.00 0.00 C ATOM 1157 NZ LYS A 70 -3.827 14.560 10.814 1.00 0.00 N ATOM 0 H LYS A 70 -2.851 12.962 4.088 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.228 11.003 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.698 12.911 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.995 14.018 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.215 13.507 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.295 12.045 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.233 13.465 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.223 14.899 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.765 12.751 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.777 14.165 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.004 14.459 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.686 15.565 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.643 14.195 10.283 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.725 11.066 6.260 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.182 11.053 6.353 1.00 0.00 C ATOM 1173 C GLY A 71 -7.849 10.528 5.079 1.00 0.00 C ATOM 1174 O GLY A 71 -8.232 11.331 4.223 1.00 0.00 O ATOM 0 H GLY A 71 -5.301 10.213 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.483 10.433 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.538 12.063 6.555 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.045 9.211 4.962 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.809 8.545 3.902 1.00 0.00 C ATOM 1180 C LEU A 72 -9.538 7.351 4.517 1.00 0.00 C ATOM 1181 O LEU A 72 -8.962 6.647 5.347 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.856 8.062 2.787 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.494 7.203 1.670 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.550 7.951 0.846 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.395 6.714 0.721 1.00 0.00 C ATOM 0 H LEU A 72 -7.657 8.549 5.635 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.526 9.239 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.396 8.936 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.054 7.485 3.247 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.999 6.375 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.953 7.286 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.356 8.282 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.092 8.817 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.839 6.108 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.888 7.572 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.674 6.114 1.277 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.760 7.084 4.042 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.515 5.859 4.293 1.00 0.00 C ATOM 1199 C ARG A 73 -11.697 5.133 2.963 1.00 0.00 C ATOM 1200 O ARG A 73 -12.097 5.778 1.992 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.875 6.151 4.966 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.796 7.245 4.383 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.386 8.687 4.750 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.520 9.531 5.179 1.00 0.00 N ATOM 1205 CZ ARG A 73 -15.558 9.936 4.435 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -15.718 9.503 3.193 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -16.457 10.770 4.942 1.00 0.00 N ATOM 0 H ARG A 73 -11.266 7.743 3.450 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.963 5.227 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.441 5.219 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.675 6.413 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.810 7.150 3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.814 7.070 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.646 8.653 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.904 9.150 3.889 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.512 9.840 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.045 8.851 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.514 9.821 2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.359 11.105 5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.246 11.077 4.373 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.412 3.831 2.896 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.740 2.969 1.761 1.00 0.00 C ATOM 1223 C CYS A 74 -11.611 1.483 2.131 1.00 0.00 C ATOM 1224 O CYS A 74 -11.038 1.126 3.167 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.859 3.276 0.545 1.00 0.00 C ATOM 1226 SG CYS A 74 -9.085 3.326 0.925 1.00 0.00 S ATOM 0 H CYS A 74 -10.935 3.335 3.649 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.777 3.177 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.037 2.521 -0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.159 4.235 0.123 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.416 3.589 -0.158 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.114 0.611 1.251 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.076 -0.839 1.408 1.00 0.00 C ATOM 1234 C ARG A 75 -10.692 -1.404 1.145 1.00 0.00 C ATOM 1235 O ARG A 75 -9.855 -0.728 0.548 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.054 -1.499 0.424 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.129 -2.322 1.145 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.508 -1.830 0.743 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.780 -0.451 1.181 1.00 0.00 N ATOM 1240 CZ ARG A 75 -17.005 -0.022 1.517 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -18.090 -0.704 1.145 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.122 1.081 2.241 1.00 0.00 N ATOM 0 H ARG A 75 -12.570 0.907 0.388 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.355 -1.054 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.533 -0.730 -0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.501 -2.144 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.022 -3.377 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.003 -2.237 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.605 -1.886 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.262 -2.494 1.166 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.002 0.207 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.992 -1.560 0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.017 -0.369 1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.288 1.590 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.046 1.422 2.506 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.501 -2.672 1.503 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.257 -3.407 1.305 1.00 0.00 C ATOM 1258 C TRP A 76 -9.567 -4.869 0.973 1.00 0.00 C ATOM 1259 O TRP A 76 -10.099 -5.595 1.813 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.352 -3.284 2.546 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.141 -2.433 2.329 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.135 -1.091 2.164 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.755 -2.863 2.178 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.856 -0.676 1.851 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.968 -1.730 1.825 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -5.089 -4.102 2.272 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.602 -1.832 1.523 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.711 -4.214 2.009 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.970 -3.083 1.618 1.00 0.00 C ATOM 0 H TRP A 76 -11.228 -3.230 1.951 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.714 -2.976 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.934 -2.868 3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -8.034 -4.281 2.852 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.995 -0.445 2.262 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.599 0.293 1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.648 -4.983 2.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.043 -0.959 1.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.220 -5.171 2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.918 -3.177 1.392 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.265 -5.312 -0.248 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.400 -6.700 -0.691 1.00 0.00 C ATOM 1282 C LYS A 77 -7.989 -7.240 -0.878 1.00 0.00 C ATOM 1283 O LYS A 77 -7.299 -6.780 -1.786 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.216 -6.729 -1.994 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.338 -8.125 -2.627 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.738 -8.749 -2.539 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.477 -8.786 -3.885 1.00 0.00 C ATOM 1288 NZ LYS A 77 -12.622 -7.453 -4.508 1.00 0.00 N ATOM 0 H LYS A 77 -8.909 -4.696 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.929 -7.322 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.216 -6.344 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.754 -6.054 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.049 -8.060 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.626 -8.793 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.651 -9.765 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.334 -8.185 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.940 -9.443 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.466 -9.220 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.572 -7.364 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.488 -6.716 -3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.908 -7.340 -5.256 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.525 -8.144 -0.017 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.222 -8.782 -0.165 1.00 0.00 C ATOM 1304 C VAL A 78 -6.475 -9.984 -1.069 1.00 0.00 C ATOM 1305 O VAL A 78 -7.084 -10.964 -0.644 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.625 -9.173 1.209 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.102 -9.263 1.101 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -5.939 -8.159 2.329 1.00 0.00 C ATOM 0 H VAL A 78 -8.045 -8.454 0.804 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.478 -8.116 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.081 -10.128 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.684 -9.538 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.834 -10.018 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.701 -8.297 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.490 -8.497 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.531 -7.184 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.019 -8.078 2.454 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.139 -9.871 -2.353 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.438 -10.929 -3.317 1.00 0.00 C ATOM 1320 C LEU A 79 -5.383 -12.021 -3.298 1.00 0.00 C ATOM 1321 O LEU A 79 -5.666 -13.120 -3.750 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.569 -10.361 -4.732 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.851 -9.528 -4.897 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.835 -8.810 -6.241 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.102 -10.410 -4.816 1.00 0.00 C ATOM 0 H LEU A 79 -5.662 -9.061 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.390 -11.369 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.701 -9.741 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.571 -11.178 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.883 -8.801 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.746 -8.222 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.969 -8.150 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.778 -9.544 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.992 -9.792 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.071 -11.159 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.134 -10.908 -3.847 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.200 -11.732 -2.761 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.193 -12.715 -2.400 1.00 0.00 C ATOM 1339 C GLU A 80 -2.447 -12.158 -1.192 1.00 0.00 C ATOM 1340 O GLU A 80 -2.283 -10.934 -1.147 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.212 -12.924 -3.566 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.615 -14.048 -4.522 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.382 -15.437 -3.918 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.212 -15.786 -3.632 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.341 -16.234 -3.846 1.00 0.00 O ATOM 0 H GLU A 80 -3.911 -10.775 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.653 -13.676 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.129 -11.994 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.223 -13.141 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.668 -13.940 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.046 -13.956 -5.447 1.00 0.00 H new ATOM 1352 N PRO A 81 -1.993 -13.012 -0.254 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.534 -12.640 1.083 1.00 0.00 C ATOM 1354 C PRO A 81 -0.324 -11.709 1.004 1.00 0.00 C ATOM 1355 O PRO A 81 0.825 -12.152 0.910 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.253 -13.960 1.816 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.956 -14.936 0.681 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.892 -14.456 -0.420 1.00 0.00 C ATOM 0 HA PRO A 81 -2.280 -12.069 1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.409 -13.869 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.109 -14.281 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.089 -14.894 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.162 -15.967 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.500 -14.710 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.870 -14.929 -0.335 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.609 -10.408 0.977 1.00 0.00 N ATOM 1367 CA VAL A 82 0.347 -9.377 0.622 1.00 0.00 C ATOM 1368 C VAL A 82 1.430 -9.292 1.686 1.00 0.00 C ATOM 1369 O VAL A 82 1.157 -9.499 2.870 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.409 -8.053 0.364 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.965 -7.416 1.647 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.436 -7.011 -0.380 1.00 0.00 C ATOM 0 H VAL A 82 -1.532 -10.040 1.207 1.00 0.00 H new ATOM 0 HA VAL A 82 0.867 -9.617 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.244 -8.346 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.484 -6.490 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.661 -8.106 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.144 -7.199 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.152 -6.106 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.323 -6.775 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.738 -7.411 -1.348 1.00 0.00 H new ATOM 1382 N ARG A 83 2.637 -8.916 1.271 1.00 0.00 N ATOM 1383 CA ARG A 83 3.737 -8.543 2.143 1.00 0.00 C ATOM 1384 C ARG A 83 4.221 -7.210 1.605 1.00 0.00 C ATOM 1385 O ARG A 83 4.653 -7.125 0.449 1.00 0.00 O ATOM 1386 CB ARG A 83 4.813 -9.642 2.133 1.00 0.00 C ATOM 1387 CG ARG A 83 5.422 -9.920 3.512 1.00 0.00 C ATOM 1388 CD ARG A 83 6.383 -11.091 3.371 1.00 0.00 C ATOM 1389 NE ARG A 83 6.825 -11.651 4.654 1.00 0.00 N ATOM 1390 CZ ARG A 83 7.831 -12.521 4.772 1.00 0.00 C ATOM 1391 NH1 ARG A 83 8.512 -12.877 3.682 1.00 0.00 N ATOM 1392 NH2 ARG A 83 8.174 -12.986 5.967 1.00 0.00 N ATOM 0 H ARG A 83 2.880 -8.862 0.282 1.00 0.00 H new ATOM 0 HA ARG A 83 3.452 -8.442 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.376 -10.563 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.608 -9.353 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.946 -9.039 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.640 -10.153 4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.901 -11.877 2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.257 -10.766 2.806 1.00 0.00 H new ATOM 0 HE ARG A 83 6.337 -11.360 5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.262 -12.486 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.283 -13.541 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.669 -12.679 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.943 -13.651 6.054 1.00 0.00 H new ATOM 1406 N LYS A 84 4.031 -6.142 2.379 1.00 0.00 N ATOM 1407 CA LYS A 84 4.467 -4.815 1.976 1.00 0.00 C ATOM 1408 C LYS A 84 5.187 -4.168 3.134 1.00 0.00 C ATOM 1409 O LYS A 84 4.777 -4.278 4.293 1.00 0.00 O ATOM 1410 CB LYS A 84 3.308 -3.984 1.391 1.00 0.00 C ATOM 1411 CG LYS A 84 2.521 -3.026 2.297 1.00 0.00 C ATOM 1412 CD LYS A 84 1.711 -3.731 3.386 1.00 0.00 C ATOM 1413 CE LYS A 84 0.275 -3.185 3.492 1.00 0.00 C ATOM 1414 NZ LYS A 84 0.139 -1.954 4.298 1.00 0.00 N ATOM 0 H LYS A 84 3.576 -6.175 3.291 1.00 0.00 H new ATOM 0 HA LYS A 84 5.178 -4.883 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.714 -3.394 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.593 -4.684 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.217 -2.332 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.845 -2.432 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.676 -4.800 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.215 -3.611 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.099 -2.988 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.362 -3.957 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.858 -1.659 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.462 -2.137 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.717 -1.198 3.878 1.00 0.00 H new ATOM 1428 N HIS A 85 6.233 -3.439 2.789 1.00 0.00 N ATOM 1429 CA HIS A 85 6.935 -2.594 3.722 1.00 0.00 C ATOM 1430 C HIS A 85 6.163 -1.273 3.762 1.00 0.00 C ATOM 1431 O HIS A 85 6.257 -0.503 2.806 1.00 0.00 O ATOM 1432 CB HIS A 85 8.405 -2.442 3.291 1.00 0.00 C ATOM 1433 CG HIS A 85 9.293 -3.560 3.795 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.697 -4.684 3.110 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.911 -3.589 5.014 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.549 -5.365 3.898 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.713 -4.733 5.066 1.00 0.00 N ATOM 0 H HIS A 85 6.618 -3.421 1.845 1.00 0.00 H new ATOM 0 HA HIS A 85 6.976 -3.013 4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.456 -2.409 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.788 -1.489 3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.799 -2.856 5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.033 -6.292 3.626 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.306 -5.028 5.842 1.00 0.00 H new ATOM 1445 N TYR A 86 5.331 -1.048 4.789 1.00 0.00 N ATOM 1446 CA TYR A 86 4.670 0.235 5.047 1.00 0.00 C ATOM 1447 C TYR A 86 5.550 1.125 5.926 1.00 0.00 C ATOM 1448 O TYR A 86 6.345 0.620 6.720 1.00 0.00 O ATOM 1449 CB TYR A 86 3.292 0.039 5.708 1.00 0.00 C ATOM 1450 CG TYR A 86 3.284 -0.204 7.212 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.696 -1.442 7.741 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.861 0.815 8.093 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.690 -1.660 9.132 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.848 0.600 9.483 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.261 -0.642 10.009 1.00 0.00 C ATOM 1456 OH TYR A 86 3.245 -0.849 11.355 1.00 0.00 O ATOM 0 H TYR A 86 5.096 -1.766 5.474 1.00 0.00 H new ATOM 0 HA TYR A 86 4.517 0.724 4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.687 0.922 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.799 -0.804 5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.019 -2.229 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.545 1.768 7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.015 -2.610 9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.522 1.386 10.148 1.00 0.00 H new ATOM 0 HH TYR A 86 2.922 -0.041 11.806 1.00 0.00 H new ATOM 1466 N ASN A 87 5.382 2.444 5.848 1.00 0.00 N ATOM 1467 CA ASN A 87 6.013 3.367 6.774 1.00 0.00 C ATOM 1468 C ASN A 87 5.172 4.625 6.929 1.00 0.00 C ATOM 1469 O ASN A 87 5.018 5.404 5.978 1.00 0.00 O ATOM 1470 CB ASN A 87 7.429 3.721 6.327 1.00 0.00 C ATOM 1471 CG ASN A 87 8.101 4.564 7.393 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.123 4.183 8.558 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.619 5.727 7.044 1.00 0.00 N ATOM 0 H ASN A 87 4.804 2.897 5.140 1.00 0.00 H new ATOM 0 HA ASN A 87 6.083 2.872 7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.004 2.812 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.398 4.266 5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.048 6.327 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.591 6.026 6.069 1.00 0.00 H new ATOM 1480 N LEU A 88 4.626 4.794 8.134 1.00 0.00 N ATOM 1481 CA LEU A 88 3.928 5.995 8.586 1.00 0.00 C ATOM 1482 C LEU A 88 4.901 7.174 8.559 1.00 0.00 C ATOM 1483 O LEU A 88 6.102 6.962 8.754 1.00 0.00 O ATOM 1484 CB LEU A 88 3.443 5.799 10.037 1.00 0.00 C ATOM 1485 CG LEU A 88 2.475 4.619 10.246 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.281 4.353 11.743 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.116 4.886 9.605 1.00 0.00 C ATOM 0 H LEU A 88 4.660 4.068 8.849 1.00 0.00 H new ATOM 0 HA LEU A 88 3.076 6.185 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.312 5.654 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.952 6.715 10.367 1.00 0.00 H new ATOM 0 HG LEU A 88 2.917 3.746 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.595 3.517 11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.242 4.111 12.197 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.868 5.242 12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.460 4.032 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.673 5.777 10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.243 5.040 8.533 1.00 0.00 H new ATOM 1499 N PHE A 89 4.427 8.410 8.401 1.00 0.00 N ATOM 1500 CA PHE A 89 5.242 9.595 8.654 1.00 0.00 C ATOM 1501 C PHE A 89 4.368 10.755 9.098 1.00 0.00 C ATOM 1502 O PHE A 89 4.862 11.522 9.951 1.00 0.00 O ATOM 1503 CB PHE A 89 6.170 9.936 7.476 1.00 0.00 C ATOM 1504 CG PHE A 89 5.557 10.145 6.103 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.066 9.047 5.368 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.571 11.423 5.511 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.591 9.229 4.058 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.119 11.598 4.190 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.636 10.500 3.458 1.00 0.00 C ATOM 0 H PHE A 89 3.475 8.616 8.097 1.00 0.00 H new ATOM 0 HA PHE A 89 5.918 9.373 9.479 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.715 10.843 7.736 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.905 9.136 7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.055 8.063 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.930 12.272 6.073 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.190 8.389 3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.143 12.578 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.301 10.632 2.440 1.00 0.00 H new