USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 558 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 18 GLN : amide:sc= -2.46 K(o=-2.5,f=-10!) USER MOD Set 1.2: A 44 SER OG : rot -65:sc= -0.0328 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.184 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -131:sc= -0.671 (180deg=-2.55!) USER MOD Single : A 12 THR OG1 : rot 38:sc= 0.501 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00957 USER MOD Single : A 24 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A 25 TYR OH : rot -146:sc= -1.03 USER MOD Single : A 29 ASN : amide:sc= -1.41 X(o=-1.4,f=-0.99) USER MOD Single : A 30 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.44) USER MOD Single : A 31 SER OG : rot 180:sc= -0.952 USER MOD Single : A 33 SER OG : rot 180:sc= -0.901 USER MOD Single : A 36 GLN : amide:sc= -3.15 X(o=-3.1,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -126:sc= -5.25! (180deg=-8.37!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.07) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -6.12! C(o=-6.1!,f=-8!) USER MOD Single : A 65 SER OG : rot -70:sc= 0.736 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -24:sc= 0.405 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.289 -1.791 -16.708 1.00 0.00 N ATOM 2 CA GLY A 1 -21.789 -2.600 -17.805 1.00 0.00 C ATOM 3 C GLY A 1 -20.795 -3.648 -17.347 1.00 0.00 C ATOM 4 O GLY A 1 -19.602 -3.370 -17.221 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.965 -1.090 -17.073 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.765 -2.403 -16.015 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.495 -1.300 -16.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.626 -3.090 -18.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.315 -1.953 -18.543 1.00 0.00 H new ATOM 8 N SER A 2 -21.286 -4.857 -17.094 1.00 0.00 N ATOM 9 CA SER A 2 -20.433 -5.950 -16.641 1.00 0.00 C ATOM 10 C SER A 2 -19.820 -6.688 -17.828 1.00 0.00 C ATOM 11 O SER A 2 -20.530 -7.290 -18.633 1.00 0.00 O ATOM 12 CB SER A 2 -21.234 -6.926 -15.778 1.00 0.00 C ATOM 13 OG SER A 2 -20.394 -7.597 -14.854 1.00 0.00 O ATOM 0 H SER A 2 -22.270 -5.105 -17.195 1.00 0.00 H new ATOM 0 HA SER A 2 -19.627 -5.525 -16.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.013 -6.386 -15.240 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.734 -7.655 -16.416 1.00 0.00 H new ATOM 0 HG SER A 2 -20.930 -8.214 -14.313 1.00 0.00 H new ATOM 19 N SER A 3 -18.496 -6.636 -17.928 1.00 0.00 N ATOM 20 CA SER A 3 -17.786 -7.295 -19.018 1.00 0.00 C ATOM 21 C SER A 3 -16.813 -8.340 -18.479 1.00 0.00 C ATOM 22 O SER A 3 -15.670 -8.028 -18.146 1.00 0.00 O ATOM 23 CB SER A 3 -17.030 -6.265 -19.860 1.00 0.00 C ATOM 24 OG SER A 3 -17.875 -5.690 -20.841 1.00 0.00 O ATOM 0 H SER A 3 -17.893 -6.145 -17.268 1.00 0.00 H new ATOM 0 HA SER A 3 -18.522 -7.797 -19.646 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.633 -5.482 -19.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.177 -6.741 -20.344 1.00 0.00 H new ATOM 0 HG SER A 3 -17.369 -5.034 -21.365 1.00 0.00 H new ATOM 30 N GLY A 4 -17.276 -9.583 -18.395 1.00 0.00 N ATOM 31 CA GLY A 4 -16.436 -10.656 -17.895 1.00 0.00 C ATOM 32 C GLY A 4 -16.276 -11.782 -18.897 1.00 0.00 C ATOM 33 O GLY A 4 -17.038 -12.748 -18.883 1.00 0.00 O ATOM 0 H GLY A 4 -18.218 -9.867 -18.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.454 -10.257 -17.642 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.866 -11.051 -16.975 1.00 0.00 H new ATOM 37 N SER A 5 -15.283 -11.656 -19.772 1.00 0.00 N ATOM 38 CA SER A 5 -15.028 -12.669 -20.790 1.00 0.00 C ATOM 39 C SER A 5 -13.573 -12.626 -21.247 1.00 0.00 C ATOM 40 O SER A 5 -12.956 -11.562 -21.289 1.00 0.00 O ATOM 41 CB SER A 5 -15.958 -12.463 -21.987 1.00 0.00 C ATOM 42 OG SER A 5 -17.317 -12.500 -21.590 1.00 0.00 O ATOM 0 H SER A 5 -14.642 -10.863 -19.796 1.00 0.00 H new ATOM 0 HA SER A 5 -15.223 -13.648 -20.352 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.740 -11.505 -22.460 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.773 -13.236 -22.733 1.00 0.00 H new ATOM 0 HG SER A 5 -17.890 -12.364 -22.373 1.00 0.00 H new ATOM 48 N SER A 6 -13.032 -13.790 -21.590 1.00 0.00 N ATOM 49 CA SER A 6 -11.649 -13.888 -22.041 1.00 0.00 C ATOM 50 C SER A 6 -11.486 -13.276 -23.429 1.00 0.00 C ATOM 51 O SER A 6 -11.841 -13.888 -24.435 1.00 0.00 O ATOM 52 CB SER A 6 -11.198 -15.350 -22.060 1.00 0.00 C ATOM 53 OG SER A 6 -11.474 -15.984 -20.823 1.00 0.00 O ATOM 0 H SER A 6 -13.531 -14.679 -21.564 1.00 0.00 H new ATOM 0 HA SER A 6 -11.025 -13.332 -21.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.706 -15.880 -22.866 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.129 -15.402 -22.269 1.00 0.00 H new ATOM 0 HG SER A 6 -11.178 -16.918 -20.861 1.00 0.00 H new ATOM 59 N GLY A 7 -10.945 -12.062 -23.474 1.00 0.00 N ATOM 60 CA GLY A 7 -10.744 -11.386 -24.742 1.00 0.00 C ATOM 61 C GLY A 7 -9.948 -10.104 -24.596 1.00 0.00 C ATOM 62 O GLY A 7 -9.063 -9.819 -25.403 1.00 0.00 O ATOM 0 H GLY A 7 -10.642 -11.535 -22.655 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.226 -12.055 -25.429 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.713 -11.160 -25.187 1.00 0.00 H new ATOM 66 N LYS A 8 -10.262 -9.329 -23.564 1.00 0.00 N ATOM 67 CA LYS A 8 -9.569 -8.070 -23.314 1.00 0.00 C ATOM 68 C LYS A 8 -9.074 -7.998 -21.873 1.00 0.00 C ATOM 69 O LYS A 8 -9.640 -8.630 -20.981 1.00 0.00 O ATOM 70 CB LYS A 8 -10.496 -6.888 -23.606 1.00 0.00 C ATOM 71 CG LYS A 8 -10.711 -6.634 -25.088 1.00 0.00 C ATOM 72 CD LYS A 8 -11.532 -5.377 -25.325 1.00 0.00 C ATOM 73 CE LYS A 8 -10.736 -4.122 -25.001 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.877 -3.729 -23.572 1.00 0.00 N ATOM 0 H LYS A 8 -10.992 -9.550 -22.887 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.706 -8.020 -23.978 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.461 -7.069 -23.133 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.081 -5.990 -23.149 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.746 -6.538 -25.585 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.217 -7.490 -25.535 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.857 -5.344 -26.365 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.432 -5.407 -24.710 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.684 -4.291 -25.229 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.073 -3.304 -25.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.109 -2.717 -23.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.637 -4.286 -23.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.983 -3.909 -23.073 1.00 0.00 H new ATOM 88 N ARG A 9 -8.017 -7.224 -21.653 1.00 0.00 N ATOM 89 CA ARG A 9 -7.446 -7.069 -20.321 1.00 0.00 C ATOM 90 C ARG A 9 -7.046 -5.619 -20.065 1.00 0.00 C ATOM 91 O ARG A 9 -6.670 -4.883 -20.978 1.00 0.00 O ATOM 92 CB ARG A 9 -6.230 -7.982 -20.154 1.00 0.00 C ATOM 93 CG ARG A 9 -5.041 -7.574 -21.008 1.00 0.00 C ATOM 94 CD ARG A 9 -5.097 -8.217 -22.385 1.00 0.00 C ATOM 95 NE ARG A 9 -3.884 -7.961 -23.158 1.00 0.00 N ATOM 96 CZ ARG A 9 -3.562 -6.768 -23.646 1.00 0.00 C ATOM 97 NH1 ARG A 9 -4.358 -5.728 -23.443 1.00 0.00 N ATOM 98 NH2 ARG A 9 -2.441 -6.615 -24.340 1.00 0.00 N ATOM 0 H ARG A 9 -7.538 -6.694 -22.381 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.206 -7.351 -19.593 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.930 -7.985 -19.106 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.515 -9.003 -20.407 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.022 -6.489 -21.112 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.116 -7.862 -20.508 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.238 -9.292 -22.277 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.961 -7.835 -22.929 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.250 -8.741 -23.333 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.221 -5.842 -22.911 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.108 -4.813 -23.819 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.826 -7.413 -24.499 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.194 -5.699 -24.715 1.00 0.00 H new ATOM 112 N PRO A 10 -7.129 -5.197 -18.794 1.00 0.00 N ATOM 113 CA PRO A 10 -6.779 -3.833 -18.389 1.00 0.00 C ATOM 114 C PRO A 10 -5.281 -3.566 -18.484 1.00 0.00 C ATOM 115 O PRO A 10 -4.497 -4.469 -18.774 1.00 0.00 O ATOM 116 CB PRO A 10 -7.244 -3.765 -16.932 1.00 0.00 C ATOM 117 CG PRO A 10 -7.217 -5.178 -16.461 1.00 0.00 C ATOM 118 CD PRO A 10 -7.569 -6.020 -17.656 1.00 0.00 C ATOM 0 HA PRO A 10 -7.241 -3.085 -19.033 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.584 -3.136 -16.335 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.245 -3.341 -16.855 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.233 -5.442 -16.074 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.930 -5.333 -15.651 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.057 -6.982 -17.634 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.638 -6.228 -17.700 1.00 0.00 H new ATOM 126 N ARG A 11 -4.890 -2.320 -18.236 1.00 0.00 N ATOM 127 CA ARG A 11 -3.485 -1.934 -18.294 1.00 0.00 C ATOM 128 C ARG A 11 -2.956 -1.597 -16.903 1.00 0.00 C ATOM 129 O ARG A 11 -3.710 -1.570 -15.929 1.00 0.00 O ATOM 130 CB ARG A 11 -3.301 -0.735 -19.225 1.00 0.00 C ATOM 131 CG ARG A 11 -1.858 -0.502 -19.641 1.00 0.00 C ATOM 132 CD ARG A 11 -1.773 0.225 -20.974 1.00 0.00 C ATOM 133 NE ARG A 11 -1.988 1.662 -20.828 1.00 0.00 N ATOM 134 CZ ARG A 11 -2.211 2.479 -21.851 1.00 0.00 C ATOM 135 NH1 ARG A 11 -2.248 2.003 -23.088 1.00 0.00 N ATOM 136 NH2 ARG A 11 -2.398 3.775 -21.638 1.00 0.00 N ATOM 0 H ARG A 11 -5.526 -1.561 -17.993 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.918 -2.779 -18.685 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.908 -0.883 -20.118 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.676 0.160 -18.729 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.347 0.080 -18.874 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.340 -1.458 -19.713 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.795 0.048 -21.422 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.516 -0.185 -21.659 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.966 2.060 -19.889 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.105 1.007 -23.256 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.419 2.633 -23.872 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.371 4.145 -20.688 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.569 4.402 -22.424 1.00 0.00 H new ATOM 150 N THR A 12 -1.654 -1.340 -16.816 1.00 0.00 N ATOM 151 CA THR A 12 -1.024 -1.007 -15.545 1.00 0.00 C ATOM 152 C THR A 12 -1.896 -0.058 -14.731 1.00 0.00 C ATOM 153 O THR A 12 -2.050 1.113 -15.081 1.00 0.00 O ATOM 154 CB THR A 12 0.359 -0.362 -15.756 1.00 0.00 C ATOM 155 OG1 THR A 12 0.244 0.768 -16.628 1.00 0.00 O ATOM 156 CG2 THR A 12 1.340 -1.365 -16.344 1.00 0.00 C ATOM 0 H THR A 12 -1.016 -1.356 -17.611 1.00 0.00 H new ATOM 0 HA THR A 12 -0.901 -1.942 -14.998 1.00 0.00 H new ATOM 0 HB THR A 12 0.735 -0.036 -14.786 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.592 1.243 -16.439 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.309 -0.887 -16.484 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.447 -2.210 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.967 -1.718 -17.306 1.00 0.00 H new ATOM 164 N ARG A 13 -2.464 -0.569 -13.644 1.00 0.00 N ATOM 165 CA ARG A 13 -3.321 0.234 -12.780 1.00 0.00 C ATOM 166 C ARG A 13 -3.638 -0.509 -11.486 1.00 0.00 C ATOM 167 O ARG A 13 -3.941 -1.703 -11.502 1.00 0.00 O ATOM 168 CB ARG A 13 -4.620 0.592 -13.506 1.00 0.00 C ATOM 169 CG ARG A 13 -5.709 1.113 -12.583 1.00 0.00 C ATOM 170 CD ARG A 13 -6.579 -0.018 -12.054 1.00 0.00 C ATOM 171 NE ARG A 13 -7.597 -0.422 -13.020 1.00 0.00 N ATOM 172 CZ ARG A 13 -8.463 -1.407 -12.806 1.00 0.00 C ATOM 173 NH1 ARG A 13 -8.434 -2.083 -11.666 1.00 0.00 N ATOM 174 NH2 ARG A 13 -9.360 -1.716 -13.734 1.00 0.00 N ATOM 0 H ARG A 13 -2.346 -1.536 -13.340 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.787 1.151 -12.531 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.407 1.345 -14.264 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.990 -0.290 -14.028 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.255 1.646 -11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.330 1.831 -13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.951 -0.875 -11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.062 0.298 -11.129 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.646 0.079 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.746 -1.847 -10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.100 -2.839 -11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.385 -1.197 -14.612 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.024 -2.472 -13.569 1.00 0.00 H new ATOM 188 N ILE A 14 -3.565 0.204 -10.367 1.00 0.00 N ATOM 189 CA ILE A 14 -3.844 -0.388 -9.065 1.00 0.00 C ATOM 190 C ILE A 14 -5.157 0.136 -8.493 1.00 0.00 C ATOM 191 O ILE A 14 -5.555 1.271 -8.760 1.00 0.00 O ATOM 192 CB ILE A 14 -2.710 -0.103 -8.062 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.369 -0.572 -8.629 1.00 0.00 C ATOM 194 CG2 ILE A 14 -2.996 -0.783 -6.732 1.00 0.00 C ATOM 195 CD1 ILE A 14 -0.173 -0.030 -7.879 1.00 0.00 C ATOM 0 H ILE A 14 -3.315 1.192 -10.336 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.921 -1.465 -9.218 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.656 0.972 -7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.337 -1.661 -8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.300 -0.270 -9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.186 -0.572 -6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.934 -0.405 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.074 -1.860 -6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.743 -0.404 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.181 1.059 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.218 -0.354 -6.839 1.00 0.00 H new ATOM 207 N THR A 15 -5.826 -0.697 -7.702 1.00 0.00 N ATOM 208 CA THR A 15 -7.094 -0.318 -7.091 1.00 0.00 C ATOM 209 C THR A 15 -6.882 0.246 -5.690 1.00 0.00 C ATOM 210 O THR A 15 -5.755 0.305 -5.198 1.00 0.00 O ATOM 211 CB THR A 15 -8.059 -1.516 -7.009 1.00 0.00 C ATOM 212 OG1 THR A 15 -7.571 -2.474 -6.063 1.00 0.00 O ATOM 213 CG2 THR A 15 -8.218 -2.176 -8.371 1.00 0.00 C ATOM 0 H THR A 15 -5.511 -1.639 -7.469 1.00 0.00 H new ATOM 0 HA THR A 15 -7.534 0.450 -7.727 1.00 0.00 H new ATOM 0 HB THR A 15 -9.033 -1.149 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.191 -3.232 -6.015 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.904 -3.019 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.617 -1.452 -9.082 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.248 -2.530 -8.719 1.00 0.00 H new ATOM 221 N ASP A 16 -7.973 0.657 -5.052 1.00 0.00 N ATOM 222 CA ASP A 16 -7.907 1.215 -3.707 1.00 0.00 C ATOM 223 C ASP A 16 -7.729 0.110 -2.669 1.00 0.00 C ATOM 224 O ASP A 16 -7.053 0.299 -1.657 1.00 0.00 O ATOM 225 CB ASP A 16 -9.171 2.019 -3.402 1.00 0.00 C ATOM 226 CG ASP A 16 -9.337 3.210 -4.326 1.00 0.00 C ATOM 227 OD1 ASP A 16 -9.100 3.054 -5.542 1.00 0.00 O ATOM 228 OD2 ASP A 16 -9.702 4.298 -3.832 1.00 0.00 O ATOM 0 H ASP A 16 -8.913 0.614 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.044 1.879 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.042 1.369 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.137 2.366 -2.369 1.00 0.00 H new ATOM 233 N ASP A 17 -8.340 -1.040 -2.927 1.00 0.00 N ATOM 234 CA ASP A 17 -8.250 -2.175 -2.016 1.00 0.00 C ATOM 235 C ASP A 17 -6.877 -2.835 -2.104 1.00 0.00 C ATOM 236 O ASP A 17 -6.445 -3.515 -1.174 1.00 0.00 O ATOM 237 CB ASP A 17 -9.342 -3.198 -2.331 1.00 0.00 C ATOM 238 CG ASP A 17 -10.734 -2.605 -2.240 1.00 0.00 C ATOM 239 OD1 ASP A 17 -10.926 -1.466 -2.714 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.632 -3.280 -1.693 1.00 0.00 O ATOM 0 H ASP A 17 -8.903 -1.211 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.392 -1.806 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.185 -3.596 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.261 -4.036 -1.639 1.00 0.00 H new ATOM 245 N GLN A 18 -6.198 -2.629 -3.228 1.00 0.00 N ATOM 246 CA GLN A 18 -4.875 -3.205 -3.437 1.00 0.00 C ATOM 247 C GLN A 18 -3.782 -2.225 -3.024 1.00 0.00 C ATOM 248 O GLN A 18 -2.726 -2.626 -2.534 1.00 0.00 O ATOM 249 CB GLN A 18 -4.694 -3.601 -4.904 1.00 0.00 C ATOM 250 CG GLN A 18 -5.398 -4.896 -5.276 1.00 0.00 C ATOM 251 CD GLN A 18 -4.773 -5.575 -6.479 1.00 0.00 C ATOM 252 OE1 GLN A 18 -4.020 -6.540 -6.340 1.00 0.00 O ATOM 253 NE2 GLN A 18 -5.082 -5.074 -7.669 1.00 0.00 N ATOM 0 H GLN A 18 -6.542 -2.068 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.792 -4.096 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.070 -2.798 -5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.630 -3.702 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.372 -5.577 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.447 -4.688 -5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.710 -4.273 -7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.691 -5.490 -8.514 1.00 0.00 H new ATOM 262 N LEU A 19 -4.042 -0.938 -3.226 1.00 0.00 N ATOM 263 CA LEU A 19 -3.080 0.101 -2.875 1.00 0.00 C ATOM 264 C LEU A 19 -2.928 0.213 -1.362 1.00 0.00 C ATOM 265 O LEU A 19 -1.813 0.243 -0.841 1.00 0.00 O ATOM 266 CB LEU A 19 -3.519 1.447 -3.456 1.00 0.00 C ATOM 267 CG LEU A 19 -2.648 2.650 -3.093 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.242 2.478 -3.645 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.273 3.937 -3.613 1.00 0.00 C ATOM 0 H LEU A 19 -4.911 -0.589 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.114 -0.174 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.548 1.359 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.538 1.648 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.584 2.713 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.637 3.344 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.794 1.578 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.286 2.389 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.640 4.783 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.368 3.883 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.260 4.068 -3.169 1.00 0.00 H new ATOM 281 N ARG A 20 -4.056 0.274 -0.661 1.00 0.00 N ATOM 282 CA ARG A 20 -4.048 0.381 0.793 1.00 0.00 C ATOM 283 C ARG A 20 -3.073 -0.619 1.406 1.00 0.00 C ATOM 284 O ARG A 20 -2.311 -0.283 2.313 1.00 0.00 O ATOM 285 CB ARG A 20 -5.453 0.147 1.350 1.00 0.00 C ATOM 286 CG ARG A 20 -5.943 -1.282 1.187 1.00 0.00 C ATOM 287 CD ARG A 20 -7.414 -1.412 1.551 1.00 0.00 C ATOM 288 NE ARG A 20 -7.648 -1.185 2.974 1.00 0.00 N ATOM 289 CZ ARG A 20 -7.413 -2.096 3.912 1.00 0.00 C ATOM 290 NH1 ARG A 20 -6.940 -3.289 3.578 1.00 0.00 N ATOM 291 NH2 ARG A 20 -7.651 -1.814 5.187 1.00 0.00 N ATOM 0 H ARG A 20 -4.987 0.251 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.723 1.387 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.463 0.407 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.149 0.820 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.792 -1.604 0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.351 -1.945 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.996 -0.697 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.768 -2.407 1.280 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.012 -0.277 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.756 -3.509 2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.760 -3.987 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.015 -0.897 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.470 -2.514 5.906 1.00 0.00 H new ATOM 305 N VAL A 21 -3.102 -1.850 0.906 1.00 0.00 N ATOM 306 CA VAL A 21 -2.221 -2.900 1.404 1.00 0.00 C ATOM 307 C VAL A 21 -0.757 -2.495 1.274 1.00 0.00 C ATOM 308 O VAL A 21 0.060 -2.789 2.148 1.00 0.00 O ATOM 309 CB VAL A 21 -2.445 -4.225 0.651 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.432 -5.269 1.096 1.00 0.00 C ATOM 311 CG2 VAL A 21 -3.866 -4.724 0.862 1.00 0.00 C ATOM 0 H VAL A 21 -3.727 -2.145 0.156 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.463 -3.044 2.457 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.302 -4.046 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.605 -6.198 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.424 -4.910 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.540 -5.448 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.006 -5.661 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.040 -4.888 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.571 -3.982 0.489 1.00 0.00 H new ATOM 321 N LEU A 22 -0.431 -1.818 0.179 1.00 0.00 N ATOM 322 CA LEU A 22 0.936 -1.372 -0.066 1.00 0.00 C ATOM 323 C LEU A 22 1.270 -0.149 0.783 1.00 0.00 C ATOM 324 O LEU A 22 2.406 0.020 1.226 1.00 0.00 O ATOM 325 CB LEU A 22 1.130 -1.045 -1.548 1.00 0.00 C ATOM 326 CG LEU A 22 0.478 -2.011 -2.539 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.171 -1.304 -3.850 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.375 -3.216 -2.777 1.00 0.00 C ATOM 0 H LEU A 22 -1.094 -1.566 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 22 1.611 -2.181 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.737 -0.045 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.200 -1.010 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.461 -2.362 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.292 -2.007 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.511 -0.474 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.096 -0.924 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.895 -3.893 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.330 -2.884 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.543 -3.736 -1.834 1.00 0.00 H new ATOM 340 N ARG A 23 0.272 0.699 1.008 1.00 0.00 N ATOM 341 CA ARG A 23 0.460 1.905 1.805 1.00 0.00 C ATOM 342 C ARG A 23 0.812 1.554 3.248 1.00 0.00 C ATOM 343 O ARG A 23 1.742 2.118 3.824 1.00 0.00 O ATOM 344 CB ARG A 23 -0.805 2.765 1.772 1.00 0.00 C ATOM 345 CG ARG A 23 -1.084 3.387 0.414 1.00 0.00 C ATOM 346 CD ARG A 23 -0.423 4.750 0.278 1.00 0.00 C ATOM 347 NE ARG A 23 1.009 4.640 0.014 1.00 0.00 N ATOM 348 CZ ARG A 23 1.805 5.688 -0.169 1.00 0.00 C ATOM 349 NH1 ARG A 23 1.310 6.917 -0.116 1.00 0.00 N ATOM 350 NH2 ARG A 23 3.098 5.507 -0.404 1.00 0.00 N ATOM 0 H ARG A 23 -0.675 0.573 0.650 1.00 0.00 H new ATOM 0 HA ARG A 23 1.287 2.470 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.658 2.152 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.714 3.559 2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.720 2.725 -0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.160 3.488 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.899 5.305 -0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.580 5.322 1.193 1.00 0.00 H new ATOM 0 HE ARG A 23 1.421 3.708 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.316 7.059 0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.923 7.720 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.482 4.563 -0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.708 6.312 -0.544 1.00 0.00 H new ATOM 364 N GLN A 24 0.062 0.620 3.824 1.00 0.00 N ATOM 365 CA GLN A 24 0.295 0.196 5.199 1.00 0.00 C ATOM 366 C GLN A 24 1.752 -0.203 5.407 1.00 0.00 C ATOM 367 O GLN A 24 2.352 0.113 6.434 1.00 0.00 O ATOM 368 CB GLN A 24 -0.623 -0.975 5.556 1.00 0.00 C ATOM 369 CG GLN A 24 -2.102 -0.653 5.419 1.00 0.00 C ATOM 370 CD GLN A 24 -2.697 -0.087 6.694 1.00 0.00 C ATOM 371 OE1 GLN A 24 -2.084 -0.150 7.759 1.00 0.00 O ATOM 372 NE2 GLN A 24 -3.898 0.470 6.590 1.00 0.00 N ATOM 0 H GLN A 24 -0.711 0.143 3.360 1.00 0.00 H new ATOM 0 HA GLN A 24 0.071 1.037 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.383 -1.822 4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.421 -1.285 6.581 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.240 0.063 4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.643 -1.558 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.370 0.500 5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.349 0.868 7.414 1.00 0.00 H new ATOM 381 N TYR A 25 2.315 -0.899 4.425 1.00 0.00 N ATOM 382 CA TYR A 25 3.701 -1.344 4.502 1.00 0.00 C ATOM 383 C TYR A 25 4.660 -0.163 4.380 1.00 0.00 C ATOM 384 O TYR A 25 5.671 -0.095 5.079 1.00 0.00 O ATOM 385 CB TYR A 25 3.992 -2.366 3.402 1.00 0.00 C ATOM 386 CG TYR A 25 3.551 -3.770 3.748 1.00 0.00 C ATOM 387 CD1 TYR A 25 2.210 -4.066 3.959 1.00 0.00 C ATOM 388 CD2 TYR A 25 4.475 -4.801 3.866 1.00 0.00 C ATOM 389 CE1 TYR A 25 1.802 -5.347 4.276 1.00 0.00 C ATOM 390 CE2 TYR A 25 4.076 -6.086 4.181 1.00 0.00 C ATOM 391 CZ TYR A 25 2.738 -6.354 4.386 1.00 0.00 C ATOM 392 OH TYR A 25 2.337 -7.631 4.702 1.00 0.00 O ATOM 0 H TYR A 25 1.833 -1.167 3.567 1.00 0.00 H new ATOM 0 HA TYR A 25 3.852 -1.813 5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.492 -2.053 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.062 -2.371 3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.474 -3.281 3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.523 -4.594 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.755 -5.559 4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.807 -6.876 4.266 1.00 0.00 H new ATOM 0 HH TYR A 25 3.026 -8.064 5.248 1.00 0.00 H new ATOM 402 N PHE A 26 4.333 0.766 3.488 1.00 0.00 N ATOM 403 CA PHE A 26 5.164 1.945 3.273 1.00 0.00 C ATOM 404 C PHE A 26 5.579 2.567 4.603 1.00 0.00 C ATOM 405 O PHE A 26 6.768 2.678 4.904 1.00 0.00 O ATOM 406 CB PHE A 26 4.414 2.976 2.426 1.00 0.00 C ATOM 407 CG PHE A 26 5.315 3.986 1.775 1.00 0.00 C ATOM 408 CD1 PHE A 26 6.085 3.641 0.676 1.00 0.00 C ATOM 409 CD2 PHE A 26 5.393 5.281 2.262 1.00 0.00 C ATOM 410 CE1 PHE A 26 6.914 4.568 0.074 1.00 0.00 C ATOM 411 CE2 PHE A 26 6.220 6.212 1.664 1.00 0.00 C ATOM 412 CZ PHE A 26 6.983 5.855 0.569 1.00 0.00 C ATOM 0 H PHE A 26 3.499 0.725 2.902 1.00 0.00 H new ATOM 0 HA PHE A 26 6.063 1.634 2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.846 2.456 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.693 3.497 3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.037 2.635 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.800 5.566 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.508 4.286 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.270 7.219 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.632 6.581 0.101 1.00 0.00 H new ATOM 422 N ASP A 27 4.591 2.972 5.393 1.00 0.00 N ATOM 423 CA ASP A 27 4.853 3.583 6.691 1.00 0.00 C ATOM 424 C ASP A 27 5.775 2.704 7.530 1.00 0.00 C ATOM 425 O ASP A 27 6.848 3.138 7.952 1.00 0.00 O ATOM 426 CB ASP A 27 3.540 3.825 7.439 1.00 0.00 C ATOM 427 CG ASP A 27 3.762 4.216 8.886 1.00 0.00 C ATOM 428 OD1 ASP A 27 4.385 5.271 9.126 1.00 0.00 O ATOM 429 OD2 ASP A 27 3.313 3.467 9.779 1.00 0.00 O ATOM 0 H ASP A 27 3.602 2.888 5.158 1.00 0.00 H new ATOM 0 HA ASP A 27 5.348 4.539 6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.978 4.611 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.931 2.922 7.399 1.00 0.00 H new ATOM 434 N ILE A 28 5.351 1.468 7.768 1.00 0.00 N ATOM 435 CA ILE A 28 6.139 0.528 8.556 1.00 0.00 C ATOM 436 C ILE A 28 7.591 0.503 8.090 1.00 0.00 C ATOM 437 O ILE A 28 8.513 0.441 8.902 1.00 0.00 O ATOM 438 CB ILE A 28 5.561 -0.897 8.477 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.145 -0.929 9.056 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.463 -1.876 9.213 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.317 -2.095 8.561 1.00 0.00 C ATOM 0 H ILE A 28 4.466 1.094 7.426 1.00 0.00 H new ATOM 0 HA ILE A 28 6.097 0.870 9.590 1.00 0.00 H new ATOM 0 HB ILE A 28 5.512 -1.196 7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.206 -0.973 10.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.636 0.001 8.803 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.041 -2.879 9.148 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.454 -1.869 8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.541 -1.582 10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.326 -2.055 9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.225 -2.041 7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.804 -3.030 8.838 1.00 0.00 H new ATOM 453 N ASN A 29 7.786 0.552 6.776 1.00 0.00 N ATOM 454 CA ASN A 29 9.126 0.536 6.202 1.00 0.00 C ATOM 455 C ASN A 29 9.130 1.167 4.812 1.00 0.00 C ATOM 456 O ASN A 29 8.300 0.835 3.967 1.00 0.00 O ATOM 457 CB ASN A 29 9.653 -0.898 6.124 1.00 0.00 C ATOM 458 CG ASN A 29 8.695 -1.828 5.406 1.00 0.00 C ATOM 459 OD1 ASN A 29 7.840 -2.458 6.028 1.00 0.00 O ATOM 460 ND2 ASN A 29 8.834 -1.918 4.088 1.00 0.00 N ATOM 0 H ASN A 29 7.033 0.603 6.089 1.00 0.00 H new ATOM 0 HA ASN A 29 9.779 1.121 6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.613 -0.902 5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.831 -1.272 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.218 -2.528 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.557 -1.377 3.613 1.00 0.00 H new ATOM 467 N ASN A 30 10.070 2.078 4.585 1.00 0.00 N ATOM 468 CA ASN A 30 10.183 2.756 3.298 1.00 0.00 C ATOM 469 C ASN A 30 9.881 1.797 2.150 1.00 0.00 C ATOM 470 O ASN A 30 8.896 1.963 1.431 1.00 0.00 O ATOM 471 CB ASN A 30 11.584 3.346 3.130 1.00 0.00 C ATOM 472 CG ASN A 30 12.126 3.926 4.422 1.00 0.00 C ATOM 473 OD1 ASN A 30 13.261 3.651 4.811 1.00 0.00 O ATOM 474 ND2 ASN A 30 11.314 4.735 5.093 1.00 0.00 N ATOM 0 H ASN A 30 10.765 2.364 5.275 1.00 0.00 H new ATOM 0 HA ASN A 30 9.451 3.564 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.261 2.571 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.558 4.125 2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.623 5.156 5.969 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.381 4.935 4.732 1.00 0.00 H new ATOM 481 N SER A 31 10.737 0.793 1.985 1.00 0.00 N ATOM 482 CA SER A 31 10.565 -0.191 0.923 1.00 0.00 C ATOM 483 C SER A 31 10.437 -1.598 1.501 1.00 0.00 C ATOM 484 O SER A 31 11.093 -1.956 2.480 1.00 0.00 O ATOM 485 CB SER A 31 11.742 -0.133 -0.052 1.00 0.00 C ATOM 486 OG SER A 31 11.378 -0.643 -1.323 1.00 0.00 O ATOM 0 H SER A 31 11.556 0.640 2.573 1.00 0.00 H new ATOM 0 HA SER A 31 9.647 0.048 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.083 0.897 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.578 -0.707 0.348 1.00 0.00 H new ATOM 0 HG SER A 31 12.147 -0.593 -1.928 1.00 0.00 H new ATOM 492 N PRO A 32 9.573 -2.415 0.881 1.00 0.00 N ATOM 493 CA PRO A 32 9.339 -3.796 1.315 1.00 0.00 C ATOM 494 C PRO A 32 10.538 -4.699 1.047 1.00 0.00 C ATOM 495 O PRO A 32 11.455 -4.328 0.314 1.00 0.00 O ATOM 496 CB PRO A 32 8.140 -4.234 0.472 1.00 0.00 C ATOM 497 CG PRO A 32 8.197 -3.375 -0.744 1.00 0.00 C ATOM 498 CD PRO A 32 8.759 -2.055 -0.292 1.00 0.00 C ATOM 0 HA PRO A 32 9.169 -3.862 2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.203 -5.291 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.204 -4.093 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.827 -3.825 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.206 -3.249 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.361 -1.587 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.969 -1.350 -0.032 1.00 0.00 H new ATOM 506 N SER A 33 10.524 -5.886 1.644 1.00 0.00 N ATOM 507 CA SER A 33 11.612 -6.842 1.472 1.00 0.00 C ATOM 508 C SER A 33 11.173 -8.014 0.600 1.00 0.00 C ATOM 509 O SER A 33 9.989 -8.345 0.538 1.00 0.00 O ATOM 510 CB SER A 33 12.090 -7.353 2.832 1.00 0.00 C ATOM 511 OG SER A 33 11.051 -8.033 3.515 1.00 0.00 O ATOM 0 H SER A 33 9.771 -6.209 2.251 1.00 0.00 H new ATOM 0 HA SER A 33 12.436 -6.331 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.939 -8.023 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.440 -6.516 3.436 1.00 0.00 H new ATOM 0 HG SER A 33 11.382 -8.351 4.381 1.00 0.00 H new ATOM 517 N GLU A 34 12.136 -8.639 -0.071 1.00 0.00 N ATOM 518 CA GLU A 34 11.848 -9.774 -0.940 1.00 0.00 C ATOM 519 C GLU A 34 10.792 -10.682 -0.317 1.00 0.00 C ATOM 520 O GLU A 34 10.051 -11.364 -1.023 1.00 0.00 O ATOM 521 CB GLU A 34 13.125 -10.571 -1.213 1.00 0.00 C ATOM 522 CG GLU A 34 13.968 -10.003 -2.342 1.00 0.00 C ATOM 523 CD GLU A 34 15.034 -10.971 -2.819 1.00 0.00 C ATOM 524 OE1 GLU A 34 15.736 -11.549 -1.964 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.164 -11.150 -4.048 1.00 0.00 O ATOM 0 H GLU A 34 13.121 -8.379 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 34 11.460 -9.388 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.725 -10.602 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.857 -11.600 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.320 -9.742 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.443 -9.081 -2.007 1.00 0.00 H new ATOM 532 N GLU A 35 10.730 -10.684 1.011 1.00 0.00 N ATOM 533 CA GLU A 35 9.766 -11.509 1.729 1.00 0.00 C ATOM 534 C GLU A 35 8.391 -10.846 1.748 1.00 0.00 C ATOM 535 O GLU A 35 7.369 -11.512 1.586 1.00 0.00 O ATOM 536 CB GLU A 35 10.243 -11.760 3.161 1.00 0.00 C ATOM 537 CG GLU A 35 11.138 -12.981 3.299 1.00 0.00 C ATOM 538 CD GLU A 35 10.486 -14.245 2.773 1.00 0.00 C ATOM 539 OE1 GLU A 35 10.560 -14.485 1.550 1.00 0.00 O ATOM 540 OE2 GLU A 35 9.901 -14.993 3.584 1.00 0.00 O ATOM 0 H GLU A 35 11.336 -10.124 1.611 1.00 0.00 H new ATOM 0 HA GLU A 35 9.683 -12.463 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.784 -10.882 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.375 -11.881 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.070 -12.806 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.397 -13.120 4.349 1.00 0.00 H new ATOM 547 N GLN A 36 8.376 -9.533 1.949 1.00 0.00 N ATOM 548 CA GLN A 36 7.128 -8.781 1.990 1.00 0.00 C ATOM 549 C GLN A 36 6.541 -8.621 0.592 1.00 0.00 C ATOM 550 O GLN A 36 5.360 -8.888 0.369 1.00 0.00 O ATOM 551 CB GLN A 36 7.357 -7.406 2.620 1.00 0.00 C ATOM 552 CG GLN A 36 8.011 -7.466 3.991 1.00 0.00 C ATOM 553 CD GLN A 36 7.047 -7.893 5.080 1.00 0.00 C ATOM 554 OE1 GLN A 36 6.815 -9.084 5.289 1.00 0.00 O ATOM 555 NE2 GLN A 36 6.478 -6.920 5.782 1.00 0.00 N ATOM 0 H GLN A 36 9.214 -8.968 2.086 1.00 0.00 H new ATOM 0 HA GLN A 36 6.418 -9.339 2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.982 -6.810 1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.400 -6.891 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.849 -8.163 3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.420 -6.486 4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.699 -5.946 5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.820 -7.147 6.528 1.00 0.00 H new ATOM 564 N ILE A 37 7.374 -8.184 -0.347 1.00 0.00 N ATOM 565 CA ILE A 37 6.938 -7.990 -1.724 1.00 0.00 C ATOM 566 C ILE A 37 6.179 -9.209 -2.238 1.00 0.00 C ATOM 567 O ILE A 37 5.295 -9.092 -3.086 1.00 0.00 O ATOM 568 CB ILE A 37 8.129 -7.709 -2.658 1.00 0.00 C ATOM 569 CG1 ILE A 37 8.993 -6.579 -2.094 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.637 -7.360 -4.055 1.00 0.00 C ATOM 571 CD1 ILE A 37 10.098 -6.138 -3.029 1.00 0.00 C ATOM 0 H ILE A 37 8.354 -7.958 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 37 6.275 -7.125 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 37 8.740 -8.610 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.356 -5.724 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.434 -6.905 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.491 -7.164 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.060 -8.193 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.006 -6.472 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.669 -5.335 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.758 -6.981 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.664 -5.781 -3.963 1.00 0.00 H new ATOM 583 N LYS A 38 6.531 -10.380 -1.717 1.00 0.00 N ATOM 584 CA LYS A 38 5.882 -11.622 -2.119 1.00 0.00 C ATOM 585 C LYS A 38 4.548 -11.797 -1.401 1.00 0.00 C ATOM 586 O LYS A 38 3.512 -11.992 -2.035 1.00 0.00 O ATOM 587 CB LYS A 38 6.793 -12.816 -1.824 1.00 0.00 C ATOM 588 CG LYS A 38 6.432 -14.065 -2.609 1.00 0.00 C ATOM 589 CD LYS A 38 4.932 -14.309 -2.611 1.00 0.00 C ATOM 590 CE LYS A 38 4.600 -15.734 -3.024 1.00 0.00 C ATOM 591 NZ LYS A 38 4.751 -15.936 -4.491 1.00 0.00 N ATOM 0 H LYS A 38 7.262 -10.494 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 38 5.693 -11.573 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.823 -12.541 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.749 -13.041 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.787 -13.966 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.941 -14.927 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.529 -14.114 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.449 -13.609 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.252 -16.427 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.577 -15.969 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.516 -16.920 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.110 -15.293 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.733 -15.737 -4.770 1.00 0.00 H new ATOM 605 N GLU A 39 4.582 -11.726 -0.074 1.00 0.00 N ATOM 606 CA GLU A 39 3.375 -11.876 0.730 1.00 0.00 C ATOM 607 C GLU A 39 2.290 -10.907 0.268 1.00 0.00 C ATOM 608 O GLU A 39 1.103 -11.233 0.288 1.00 0.00 O ATOM 609 CB GLU A 39 3.688 -11.641 2.209 1.00 0.00 C ATOM 610 CG GLU A 39 3.535 -10.193 2.641 1.00 0.00 C ATOM 611 CD GLU A 39 3.676 -10.013 4.141 1.00 0.00 C ATOM 612 OE1 GLU A 39 2.930 -10.678 4.890 1.00 0.00 O ATOM 613 OE2 GLU A 39 4.530 -9.207 4.564 1.00 0.00 O ATOM 0 H GLU A 39 5.432 -11.566 0.467 1.00 0.00 H new ATOM 0 HA GLU A 39 3.008 -12.894 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.029 -12.263 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.709 -11.966 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.285 -9.585 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.559 -9.825 2.325 1.00 0.00 H new ATOM 620 N MET A 40 2.707 -9.715 -0.146 1.00 0.00 N ATOM 621 CA MET A 40 1.771 -8.699 -0.614 1.00 0.00 C ATOM 622 C MET A 40 1.239 -9.046 -2.000 1.00 0.00 C ATOM 623 O MET A 40 0.041 -8.943 -2.260 1.00 0.00 O ATOM 624 CB MET A 40 2.448 -7.327 -0.643 1.00 0.00 C ATOM 625 CG MET A 40 2.569 -6.681 0.728 1.00 0.00 C ATOM 626 SD MET A 40 3.413 -5.088 0.672 1.00 0.00 S ATOM 627 CE MET A 40 5.125 -5.612 0.647 1.00 0.00 C ATOM 0 H MET A 40 3.686 -9.429 -0.167 1.00 0.00 H new ATOM 0 HA MET A 40 0.931 -8.667 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.443 -7.431 -1.076 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.882 -6.665 -1.299 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.574 -6.546 1.151 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.111 -7.352 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.667 -5.122 1.455 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.177 -6.693 0.779 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.575 -5.341 -0.308 1.00 0.00 H new ATOM 637 N ALA A 41 2.138 -9.458 -2.888 1.00 0.00 N ATOM 638 CA ALA A 41 1.759 -9.822 -4.247 1.00 0.00 C ATOM 639 C ALA A 41 0.560 -10.764 -4.249 1.00 0.00 C ATOM 640 O ALA A 41 -0.249 -10.753 -5.177 1.00 0.00 O ATOM 641 CB ALA A 41 2.935 -10.461 -4.971 1.00 0.00 C ATOM 0 H ALA A 41 3.135 -9.548 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 41 1.474 -8.911 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.637 -10.728 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.765 -9.755 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.247 -11.358 -4.437 1.00 0.00 H new ATOM 647 N ASP A 42 0.452 -11.579 -3.205 1.00 0.00 N ATOM 648 CA ASP A 42 -0.649 -12.527 -3.086 1.00 0.00 C ATOM 649 C ASP A 42 -1.815 -11.913 -2.319 1.00 0.00 C ATOM 650 O ASP A 42 -2.980 -12.161 -2.633 1.00 0.00 O ATOM 651 CB ASP A 42 -0.178 -13.803 -2.387 1.00 0.00 C ATOM 652 CG ASP A 42 -1.145 -14.956 -2.572 1.00 0.00 C ATOM 653 OD1 ASP A 42 -1.543 -15.216 -3.727 1.00 0.00 O ATOM 654 OD2 ASP A 42 -1.505 -15.597 -1.563 1.00 0.00 O ATOM 0 H ASP A 42 1.114 -11.602 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.990 -12.777 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.800 -14.087 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.052 -13.605 -1.322 1.00 0.00 H new ATOM 659 N LYS A 43 -1.495 -11.110 -1.309 1.00 0.00 N ATOM 660 CA LYS A 43 -2.515 -10.459 -0.495 1.00 0.00 C ATOM 661 C LYS A 43 -3.406 -9.565 -1.352 1.00 0.00 C ATOM 662 O LYS A 43 -4.605 -9.444 -1.101 1.00 0.00 O ATOM 663 CB LYS A 43 -1.861 -9.632 0.614 1.00 0.00 C ATOM 664 CG LYS A 43 -1.382 -10.464 1.791 1.00 0.00 C ATOM 665 CD LYS A 43 -0.548 -9.638 2.755 1.00 0.00 C ATOM 666 CE LYS A 43 0.001 -10.491 3.889 1.00 0.00 C ATOM 667 NZ LYS A 43 -0.952 -10.575 5.031 1.00 0.00 N ATOM 0 H LYS A 43 -0.536 -10.895 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.134 -11.235 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.015 -9.086 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.575 -8.890 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.241 -10.881 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.792 -11.305 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.277 -9.172 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.156 -8.832 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.214 -11.494 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.946 -10.072 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.542 -11.165 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.136 -9.620 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.845 -10.999 4.708 1.00 0.00 H new ATOM 681 N SER A 44 -2.812 -8.942 -2.365 1.00 0.00 N ATOM 682 CA SER A 44 -3.552 -8.058 -3.258 1.00 0.00 C ATOM 683 C SER A 44 -3.785 -8.722 -4.611 1.00 0.00 C ATOM 684 O SER A 44 -4.893 -8.695 -5.146 1.00 0.00 O ATOM 685 CB SER A 44 -2.796 -6.741 -3.447 1.00 0.00 C ATOM 686 OG SER A 44 -1.646 -6.925 -4.254 1.00 0.00 O ATOM 0 H SER A 44 -1.821 -9.033 -2.588 1.00 0.00 H new ATOM 0 HA SER A 44 -4.521 -7.851 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.453 -6.004 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.503 -6.344 -2.475 1.00 0.00 H new ATOM 0 HG SER A 44 -1.009 -7.506 -3.788 1.00 0.00 H new ATOM 692 N GLY A 45 -2.732 -9.320 -5.159 1.00 0.00 N ATOM 693 CA GLY A 45 -2.841 -9.983 -6.445 1.00 0.00 C ATOM 694 C GLY A 45 -1.873 -9.426 -7.470 1.00 0.00 C ATOM 695 O GLY A 45 -1.712 -9.988 -8.553 1.00 0.00 O ATOM 0 H GLY A 45 -1.805 -9.357 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.656 -11.049 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.860 -9.879 -6.818 1.00 0.00 H new ATOM 699 N LEU A 46 -1.228 -8.316 -7.129 1.00 0.00 N ATOM 700 CA LEU A 46 -0.271 -7.680 -8.028 1.00 0.00 C ATOM 701 C LEU A 46 1.058 -8.427 -8.025 1.00 0.00 C ATOM 702 O LEU A 46 1.456 -9.033 -7.030 1.00 0.00 O ATOM 703 CB LEU A 46 -0.050 -6.222 -7.621 1.00 0.00 C ATOM 704 CG LEU A 46 -1.295 -5.333 -7.606 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.154 -4.236 -6.562 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.538 -4.733 -8.983 1.00 0.00 C ATOM 0 H LEU A 46 -1.350 -7.838 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.682 -7.711 -9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.395 -6.207 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.678 -5.782 -8.302 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.155 -5.949 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.049 -3.613 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.028 -4.685 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.284 -3.622 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.427 -4.104 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.677 -4.131 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.684 -5.534 -9.708 1.00 0.00 H new ATOM 718 N PRO A 47 1.764 -8.384 -9.165 1.00 0.00 N ATOM 719 CA PRO A 47 3.061 -9.049 -9.319 1.00 0.00 C ATOM 720 C PRO A 47 4.158 -8.378 -8.500 1.00 0.00 C ATOM 721 O PRO A 47 3.916 -7.378 -7.825 1.00 0.00 O ATOM 722 CB PRO A 47 3.353 -8.915 -10.816 1.00 0.00 C ATOM 723 CG PRO A 47 2.589 -7.710 -11.244 1.00 0.00 C ATOM 724 CD PRO A 47 1.351 -7.681 -10.391 1.00 0.00 C ATOM 0 HA PRO A 47 3.034 -10.080 -8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.420 -8.794 -11.002 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.033 -9.802 -11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.179 -6.804 -11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.333 -7.766 -12.302 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.032 -6.660 -10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.515 -8.182 -10.879 1.00 0.00 H new ATOM 732 N GLN A 48 5.363 -8.936 -8.564 1.00 0.00 N ATOM 733 CA GLN A 48 6.496 -8.390 -7.827 1.00 0.00 C ATOM 734 C GLN A 48 7.103 -7.200 -8.563 1.00 0.00 C ATOM 735 O GLN A 48 7.732 -6.334 -7.955 1.00 0.00 O ATOM 736 CB GLN A 48 7.560 -9.468 -7.612 1.00 0.00 C ATOM 737 CG GLN A 48 7.207 -10.461 -6.517 1.00 0.00 C ATOM 738 CD GLN A 48 8.416 -11.222 -6.007 1.00 0.00 C ATOM 739 OE1 GLN A 48 9.536 -11.014 -6.474 1.00 0.00 O ATOM 740 NE2 GLN A 48 8.194 -12.110 -5.045 1.00 0.00 N ATOM 0 H GLN A 48 5.579 -9.765 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 48 6.134 -8.048 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.711 -10.009 -8.546 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.507 -8.988 -7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.740 -9.930 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.471 -11.169 -6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.249 -12.249 -4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.969 -12.653 -4.663 1.00 0.00 H new ATOM 749 N LYS A 49 6.911 -7.164 -9.877 1.00 0.00 N ATOM 750 CA LYS A 49 7.437 -6.080 -10.699 1.00 0.00 C ATOM 751 C LYS A 49 6.594 -4.819 -10.542 1.00 0.00 C ATOM 752 O LYS A 49 7.119 -3.706 -10.537 1.00 0.00 O ATOM 753 CB LYS A 49 7.477 -6.501 -12.170 1.00 0.00 C ATOM 754 CG LYS A 49 6.120 -6.898 -12.726 1.00 0.00 C ATOM 755 CD LYS A 49 6.256 -7.877 -13.880 1.00 0.00 C ATOM 756 CE LYS A 49 6.551 -9.284 -13.385 1.00 0.00 C ATOM 757 NZ LYS A 49 6.376 -10.299 -14.461 1.00 0.00 N ATOM 0 H LYS A 49 6.394 -7.874 -10.396 1.00 0.00 H new ATOM 0 HA LYS A 49 8.450 -5.861 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.877 -5.679 -12.764 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.165 -7.339 -12.281 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.519 -7.347 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.589 -6.008 -13.063 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.336 -7.881 -14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.055 -7.549 -14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.572 -9.329 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.891 -9.521 -12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.586 -11.245 -14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.395 -10.274 -14.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.024 -10.088 -15.246 1.00 0.00 H new ATOM 771 N VAL A 50 5.283 -5.001 -10.413 1.00 0.00 N ATOM 772 CA VAL A 50 4.368 -3.878 -10.254 1.00 0.00 C ATOM 773 C VAL A 50 4.508 -3.246 -8.874 1.00 0.00 C ATOM 774 O VAL A 50 4.642 -2.029 -8.748 1.00 0.00 O ATOM 775 CB VAL A 50 2.905 -4.313 -10.461 1.00 0.00 C ATOM 776 CG1 VAL A 50 1.952 -3.270 -9.897 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.626 -4.559 -11.936 1.00 0.00 C ATOM 0 H VAL A 50 4.832 -5.916 -10.416 1.00 0.00 H new ATOM 0 HA VAL A 50 4.633 -3.144 -11.015 1.00 0.00 H new ATOM 0 HB VAL A 50 2.743 -5.247 -9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.923 -3.595 -10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.136 -3.148 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.112 -2.319 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.588 -4.866 -12.064 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.806 -3.643 -12.498 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.284 -5.346 -12.305 1.00 0.00 H new ATOM 787 N ILE A 51 4.477 -4.082 -7.841 1.00 0.00 N ATOM 788 CA ILE A 51 4.602 -3.605 -6.469 1.00 0.00 C ATOM 789 C ILE A 51 5.941 -2.907 -6.250 1.00 0.00 C ATOM 790 O ILE A 51 5.990 -1.756 -5.815 1.00 0.00 O ATOM 791 CB ILE A 51 4.465 -4.758 -5.457 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.105 -5.440 -5.610 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.649 -4.242 -4.038 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.080 -6.862 -5.093 1.00 0.00 C ATOM 0 H ILE A 51 4.366 -5.092 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 51 3.793 -2.893 -6.307 1.00 0.00 H new ATOM 0 HB ILE A 51 5.244 -5.494 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.353 -4.856 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.824 -5.440 -6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.549 -5.069 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.639 -3.798 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.890 -3.489 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.084 -7.283 -5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.808 -7.461 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.330 -6.868 -4.032 1.00 0.00 H new ATOM 806 N LYS A 52 7.025 -3.611 -6.556 1.00 0.00 N ATOM 807 CA LYS A 52 8.366 -3.060 -6.396 1.00 0.00 C ATOM 808 C LYS A 52 8.461 -1.671 -7.020 1.00 0.00 C ATOM 809 O LYS A 52 8.937 -0.727 -6.388 1.00 0.00 O ATOM 810 CB LYS A 52 9.401 -3.989 -7.034 1.00 0.00 C ATOM 811 CG LYS A 52 9.747 -5.194 -6.176 1.00 0.00 C ATOM 812 CD LYS A 52 10.549 -6.222 -6.957 1.00 0.00 C ATOM 813 CE LYS A 52 12.027 -5.865 -6.994 1.00 0.00 C ATOM 814 NZ LYS A 52 12.782 -6.728 -7.944 1.00 0.00 N ATOM 0 H LYS A 52 7.002 -4.565 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 52 8.572 -2.975 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.022 -4.335 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.311 -3.423 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.318 -4.870 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.831 -5.652 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.422 -7.205 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.164 -6.289 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.141 -4.820 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.451 -5.967 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.785 -6.453 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.694 -7.723 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.395 -6.611 -8.902 1.00 0.00 H new ATOM 828 N HIS A 53 8.004 -1.553 -8.263 1.00 0.00 N ATOM 829 CA HIS A 53 8.036 -0.278 -8.971 1.00 0.00 C ATOM 830 C HIS A 53 7.233 0.780 -8.221 1.00 0.00 C ATOM 831 O HIS A 53 7.754 1.841 -7.877 1.00 0.00 O ATOM 832 CB HIS A 53 7.486 -0.444 -10.388 1.00 0.00 C ATOM 833 CG HIS A 53 8.527 -0.829 -11.393 1.00 0.00 C ATOM 834 ND1 HIS A 53 8.231 -1.478 -12.573 1.00 0.00 N ATOM 835 CD2 HIS A 53 9.869 -0.650 -11.391 1.00 0.00 C ATOM 836 CE1 HIS A 53 9.345 -1.684 -13.252 1.00 0.00 C ATOM 837 NE2 HIS A 53 10.354 -1.191 -12.556 1.00 0.00 N ATOM 0 H HIS A 53 7.608 -2.324 -8.800 1.00 0.00 H new ATOM 0 HA HIS A 53 9.073 0.052 -9.028 1.00 0.00 H new ATOM 0 HB2 HIS A 53 6.704 -1.203 -10.379 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.020 0.491 -10.700 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.450 -0.171 -10.617 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.419 -2.172 -14.213 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.334 -1.209 -12.838 1.00 0.00 H new ATOM 846 N TRP A 54 5.962 0.485 -7.973 1.00 0.00 N ATOM 847 CA TRP A 54 5.086 1.412 -7.264 1.00 0.00 C ATOM 848 C TRP A 54 5.796 2.017 -6.058 1.00 0.00 C ATOM 849 O TRP A 54 5.677 3.213 -5.791 1.00 0.00 O ATOM 850 CB TRP A 54 3.810 0.699 -6.816 1.00 0.00 C ATOM 851 CG TRP A 54 2.954 1.528 -5.907 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.856 2.260 -6.258 1.00 0.00 C ATOM 853 CD2 TRP A 54 3.128 1.711 -4.498 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.336 2.887 -5.151 1.00 0.00 N ATOM 855 CE2 TRP A 54 2.097 2.566 -4.059 1.00 0.00 C ATOM 856 CE3 TRP A 54 4.051 1.234 -3.564 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.969 2.953 -2.728 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.922 1.620 -2.243 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.887 2.472 -1.835 1.00 0.00 C ATOM 0 H TRP A 54 5.515 -0.388 -8.252 1.00 0.00 H new ATOM 0 HA TRP A 54 4.821 2.218 -7.948 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.230 0.421 -7.696 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.079 -0.226 -6.306 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.455 2.335 -7.258 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.516 3.493 -5.144 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.851 0.575 -3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.173 3.610 -2.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.631 1.259 -1.513 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.813 2.754 -0.795 1.00 0.00 H new ATOM 870 N PHE A 55 6.534 1.184 -5.332 1.00 0.00 N ATOM 871 CA PHE A 55 7.263 1.638 -4.153 1.00 0.00 C ATOM 872 C PHE A 55 8.363 2.621 -4.539 1.00 0.00 C ATOM 873 O PHE A 55 8.618 3.594 -3.829 1.00 0.00 O ATOM 874 CB PHE A 55 7.867 0.444 -3.410 1.00 0.00 C ATOM 875 CG PHE A 55 6.953 -0.140 -2.371 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.842 0.443 -1.120 1.00 0.00 C ATOM 877 CD2 PHE A 55 6.205 -1.274 -2.646 1.00 0.00 C ATOM 878 CE1 PHE A 55 6.002 -0.092 -0.161 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.363 -1.813 -1.692 1.00 0.00 C ATOM 880 CZ PHE A 55 5.262 -1.222 -0.448 1.00 0.00 C ATOM 0 H PHE A 55 6.643 0.191 -5.539 1.00 0.00 H new ATOM 0 HA PHE A 55 6.559 2.148 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.125 -0.331 -4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.796 0.756 -2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.419 1.327 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.281 -1.742 -3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.925 0.373 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.784 -2.696 -1.919 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.605 -1.643 0.299 1.00 0.00 H new ATOM 890 N ARG A 56 9.014 2.359 -5.668 1.00 0.00 N ATOM 891 CA ARG A 56 10.088 3.219 -6.148 1.00 0.00 C ATOM 892 C ARG A 56 9.534 4.540 -6.675 1.00 0.00 C ATOM 893 O ARG A 56 9.944 5.615 -6.239 1.00 0.00 O ATOM 894 CB ARG A 56 10.884 2.513 -7.247 1.00 0.00 C ATOM 895 CG ARG A 56 12.263 3.108 -7.480 1.00 0.00 C ATOM 896 CD ARG A 56 13.122 2.201 -8.346 1.00 0.00 C ATOM 897 NE ARG A 56 13.687 1.091 -7.584 1.00 0.00 N ATOM 898 CZ ARG A 56 14.255 0.028 -8.144 1.00 0.00 C ATOM 899 NH1 ARG A 56 14.332 -0.067 -9.465 1.00 0.00 N ATOM 900 NH2 ARG A 56 14.747 -0.941 -7.384 1.00 0.00 N ATOM 0 H ARG A 56 8.816 1.558 -6.267 1.00 0.00 H new ATOM 0 HA ARG A 56 10.750 3.432 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.992 1.460 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.318 2.555 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.164 4.082 -7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.756 3.272 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.522 1.809 -9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.929 2.783 -8.791 1.00 0.00 H new ATOM 0 HE ARG A 56 13.643 1.134 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.955 0.677 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.768 -0.884 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.690 -0.871 -6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.183 -1.756 -7.815 1.00 0.00 H new ATOM 914 N ASN A 57 8.599 4.450 -7.615 1.00 0.00 N ATOM 915 CA ASN A 57 7.989 5.637 -8.203 1.00 0.00 C ATOM 916 C ASN A 57 7.388 6.531 -7.122 1.00 0.00 C ATOM 917 O ASN A 57 7.606 7.743 -7.110 1.00 0.00 O ATOM 918 CB ASN A 57 6.909 5.236 -9.209 1.00 0.00 C ATOM 919 CG ASN A 57 7.485 4.876 -10.564 1.00 0.00 C ATOM 920 OD1 ASN A 57 8.627 4.426 -10.666 1.00 0.00 O ATOM 921 ND2 ASN A 57 6.697 5.073 -11.614 1.00 0.00 N ATOM 0 H ASN A 57 8.247 3.567 -7.986 1.00 0.00 H new ATOM 0 HA ASN A 57 8.767 6.197 -8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.350 4.386 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.202 6.057 -9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.031 4.849 -12.551 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.757 5.448 -11.483 1.00 0.00 H new ATOM 928 N THR A 58 6.628 5.924 -6.215 1.00 0.00 N ATOM 929 CA THR A 58 5.995 6.663 -5.131 1.00 0.00 C ATOM 930 C THR A 58 7.033 7.209 -4.157 1.00 0.00 C ATOM 931 O THR A 58 7.060 8.406 -3.868 1.00 0.00 O ATOM 932 CB THR A 58 4.996 5.781 -4.358 1.00 0.00 C ATOM 933 OG1 THR A 58 4.065 5.184 -5.267 1.00 0.00 O ATOM 934 CG2 THR A 58 4.244 6.599 -3.319 1.00 0.00 C ATOM 0 H THR A 58 6.436 4.922 -6.211 1.00 0.00 H new ATOM 0 HA THR A 58 5.457 7.494 -5.588 1.00 0.00 H new ATOM 0 HB THR A 58 5.556 4.999 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.510 4.469 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.544 5.955 -2.786 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.953 7.029 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.695 7.400 -3.814 1.00 0.00 H new ATOM 942 N LEU A 59 7.886 6.324 -3.653 1.00 0.00 N ATOM 943 CA LEU A 59 8.928 6.717 -2.711 1.00 0.00 C ATOM 944 C LEU A 59 9.800 7.825 -3.294 1.00 0.00 C ATOM 945 O LEU A 59 9.858 8.931 -2.757 1.00 0.00 O ATOM 946 CB LEU A 59 9.794 5.511 -2.344 1.00 0.00 C ATOM 947 CG LEU A 59 10.990 5.794 -1.435 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.536 5.965 0.006 1.00 0.00 C ATOM 949 CD2 LEU A 59 12.018 4.677 -1.543 1.00 0.00 C ATOM 0 H LEU A 59 7.877 5.330 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 59 8.444 7.096 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.161 4.769 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.162 5.060 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 59 11.457 6.724 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.401 6.166 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.837 6.799 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.044 5.053 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.862 4.895 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.562 3.733 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.367 4.602 -2.573 1.00 0.00 H new ATOM 961 N PHE A 60 10.475 7.520 -4.397 1.00 0.00 N ATOM 962 CA PHE A 60 11.343 8.490 -5.055 1.00 0.00 C ATOM 963 C PHE A 60 10.658 9.849 -5.160 1.00 0.00 C ATOM 964 O PHE A 60 11.263 10.885 -4.884 1.00 0.00 O ATOM 965 CB PHE A 60 11.735 7.993 -6.448 1.00 0.00 C ATOM 966 CG PHE A 60 13.085 8.475 -6.899 1.00 0.00 C ATOM 967 CD1 PHE A 60 13.272 9.793 -7.282 1.00 0.00 C ATOM 968 CD2 PHE A 60 14.166 7.609 -6.938 1.00 0.00 C ATOM 969 CE1 PHE A 60 14.512 10.238 -7.698 1.00 0.00 C ATOM 970 CE2 PHE A 60 15.409 8.049 -7.352 1.00 0.00 C ATOM 971 CZ PHE A 60 15.583 9.365 -7.732 1.00 0.00 C ATOM 0 H PHE A 60 10.438 6.609 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 60 12.244 8.603 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.727 6.903 -6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.983 8.319 -7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.439 10.480 -7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 60 14.036 6.579 -6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.644 11.267 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.244 7.364 -7.378 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.554 9.711 -8.055 1.00 0.00 H new ATOM 981 N LYS A 61 9.392 9.837 -5.564 1.00 0.00 N ATOM 982 CA LYS A 61 8.622 11.067 -5.706 1.00 0.00 C ATOM 983 C LYS A 61 8.519 11.801 -4.374 1.00 0.00 C ATOM 984 O LYS A 61 8.600 13.028 -4.324 1.00 0.00 O ATOM 985 CB LYS A 61 7.222 10.757 -6.240 1.00 0.00 C ATOM 986 CG LYS A 61 6.579 11.922 -6.972 1.00 0.00 C ATOM 987 CD LYS A 61 5.550 11.446 -7.984 1.00 0.00 C ATOM 988 CE LYS A 61 4.613 12.570 -8.398 1.00 0.00 C ATOM 989 NZ LYS A 61 3.506 12.757 -7.419 1.00 0.00 N ATOM 0 H LYS A 61 8.877 8.988 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 61 9.141 11.711 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.280 9.903 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.582 10.463 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.102 12.586 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.349 12.503 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.059 11.053 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.971 10.627 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.177 13.498 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.196 12.352 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.889 13.532 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.952 11.880 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.903 12.990 -6.486 1.00 0.00 H new ATOM 1003 N GLU A 62 8.340 11.043 -3.297 1.00 0.00 N ATOM 1004 CA GLU A 62 8.226 11.623 -1.964 1.00 0.00 C ATOM 1005 C GLU A 62 9.575 12.150 -1.483 1.00 0.00 C ATOM 1006 O GLU A 62 9.640 13.092 -0.693 1.00 0.00 O ATOM 1007 CB GLU A 62 7.689 10.586 -0.976 1.00 0.00 C ATOM 1008 CG GLU A 62 6.173 10.564 -0.880 1.00 0.00 C ATOM 1009 CD GLU A 62 5.615 11.786 -0.178 1.00 0.00 C ATOM 1010 OE1 GLU A 62 5.861 11.935 1.038 1.00 0.00 O ATOM 1011 OE2 GLU A 62 4.933 12.593 -0.842 1.00 0.00 O ATOM 0 H GLU A 62 8.271 10.026 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 62 7.527 12.458 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.040 9.598 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.104 10.788 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.750 10.501 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.860 9.668 -0.345 1.00 0.00 H new ATOM 1018 N ARG A 63 10.650 11.534 -1.965 1.00 0.00 N ATOM 1019 CA ARG A 63 11.998 11.939 -1.584 1.00 0.00 C ATOM 1020 C ARG A 63 12.408 13.216 -2.311 1.00 0.00 C ATOM 1021 O ARG A 63 13.014 14.110 -1.721 1.00 0.00 O ATOM 1022 CB ARG A 63 12.995 10.821 -1.891 1.00 0.00 C ATOM 1023 CG ARG A 63 12.763 9.557 -1.079 1.00 0.00 C ATOM 1024 CD ARG A 63 13.458 9.627 0.272 1.00 0.00 C ATOM 1025 NE ARG A 63 14.910 9.693 0.137 1.00 0.00 N ATOM 1026 CZ ARG A 63 15.664 8.655 -0.210 1.00 0.00 C ATOM 1027 NH1 ARG A 63 15.104 7.479 -0.457 1.00 0.00 N ATOM 1028 NH2 ARG A 63 16.979 8.793 -0.311 1.00 0.00 N ATOM 0 H ARG A 63 10.614 10.753 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 63 12.002 12.135 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.938 10.577 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.005 11.184 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.693 9.409 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.131 8.694 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.104 10.502 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.188 8.753 0.864 1.00 0.00 H new ATOM 0 HE ARG A 63 15.371 10.584 0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.093 7.370 -0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.684 6.684 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.413 9.697 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.557 7.996 -0.577 1.00 0.00 H new ATOM 1042 N GLN A 64 12.075 13.293 -3.595 1.00 0.00 N ATOM 1043 CA GLN A 64 12.410 14.460 -4.403 1.00 0.00 C ATOM 1044 C GLN A 64 11.495 15.633 -4.070 1.00 0.00 C ATOM 1045 O GLN A 64 11.961 16.746 -3.822 1.00 0.00 O ATOM 1046 CB GLN A 64 12.306 14.123 -5.891 1.00 0.00 C ATOM 1047 CG GLN A 64 10.921 13.660 -6.315 1.00 0.00 C ATOM 1048 CD GLN A 64 10.012 14.812 -6.694 1.00 0.00 C ATOM 1049 OE1 GLN A 64 8.897 14.932 -6.184 1.00 0.00 O ATOM 1050 NE2 GLN A 64 10.483 15.667 -7.594 1.00 0.00 N ATOM 0 H GLN A 64 11.573 12.561 -4.098 1.00 0.00 H new ATOM 0 HA GLN A 64 13.436 14.747 -4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.580 15.002 -6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.029 13.344 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.013 12.980 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.466 13.095 -5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.413 15.529 -7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.915 16.462 -7.889 1.00 0.00 H new ATOM 1059 N SER A 65 10.191 15.378 -4.066 1.00 0.00 N ATOM 1060 CA SER A 65 9.210 16.415 -3.767 1.00 0.00 C ATOM 1061 C SER A 65 9.600 17.187 -2.511 1.00 0.00 C ATOM 1062 O SER A 65 10.404 16.718 -1.705 1.00 0.00 O ATOM 1063 CB SER A 65 7.821 15.797 -3.589 1.00 0.00 C ATOM 1064 OG SER A 65 7.845 14.759 -2.625 1.00 0.00 O ATOM 0 H SER A 65 9.789 14.462 -4.266 1.00 0.00 H new ATOM 0 HA SER A 65 9.186 17.110 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.114 16.567 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.469 15.404 -4.543 1.00 0.00 H new ATOM 0 HG SER A 65 8.329 13.988 -2.987 1.00 0.00 H new ATOM 1070 N GLY A 66 9.025 18.375 -2.351 1.00 0.00 N ATOM 1071 CA GLY A 66 9.325 19.194 -1.191 1.00 0.00 C ATOM 1072 C GLY A 66 10.156 20.413 -1.541 1.00 0.00 C ATOM 1073 O GLY A 66 10.495 20.647 -2.701 1.00 0.00 O ATOM 0 H GLY A 66 8.357 18.785 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.393 19.515 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.859 18.594 -0.454 1.00 0.00 H new ATOM 1077 N PRO A 67 10.496 21.215 -0.521 1.00 0.00 N ATOM 1078 CA PRO A 67 11.295 22.430 -0.702 1.00 0.00 C ATOM 1079 C PRO A 67 12.742 22.122 -1.071 1.00 0.00 C ATOM 1080 O PRO A 67 13.375 22.870 -1.816 1.00 0.00 O ATOM 1081 CB PRO A 67 11.225 23.108 0.669 1.00 0.00 C ATOM 1082 CG PRO A 67 10.970 21.997 1.628 1.00 0.00 C ATOM 1083 CD PRO A 67 10.126 20.996 0.888 1.00 0.00 C ATOM 0 HA PRO A 67 10.919 23.048 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.155 23.627 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.428 23.851 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.905 21.548 1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.455 22.360 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.341 19.976 1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.062 21.165 1.055 1.00 0.00 H new ATOM 1091 N SER A 68 13.260 21.017 -0.544 1.00 0.00 N ATOM 1092 CA SER A 68 14.635 20.613 -0.816 1.00 0.00 C ATOM 1093 C SER A 68 14.931 20.665 -2.312 1.00 0.00 C ATOM 1094 O SER A 68 14.035 20.496 -3.139 1.00 0.00 O ATOM 1095 CB SER A 68 14.888 19.201 -0.283 1.00 0.00 C ATOM 1096 OG SER A 68 16.184 18.748 -0.635 1.00 0.00 O ATOM 0 H SER A 68 12.749 20.386 0.073 1.00 0.00 H new ATOM 0 HA SER A 68 15.300 21.311 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.779 19.193 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.139 18.518 -0.684 1.00 0.00 H new ATOM 0 HG SER A 68 16.322 17.844 -0.282 1.00 0.00 H new ATOM 1102 N SER A 69 16.195 20.900 -2.650 1.00 0.00 N ATOM 1103 CA SER A 69 16.610 20.978 -4.046 1.00 0.00 C ATOM 1104 C SER A 69 18.107 20.715 -4.183 1.00 0.00 C ATOM 1105 O SER A 69 18.818 20.579 -3.189 1.00 0.00 O ATOM 1106 CB SER A 69 16.267 22.352 -4.626 1.00 0.00 C ATOM 1107 OG SER A 69 14.908 22.679 -4.392 1.00 0.00 O ATOM 0 H SER A 69 16.949 21.040 -1.977 1.00 0.00 H new ATOM 0 HA SER A 69 16.071 20.211 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.909 23.110 -4.178 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.467 22.358 -5.698 1.00 0.00 H new ATOM 0 HG SER A 69 14.391 21.856 -4.262 1.00 0.00 H new ATOM 1113 N GLY A 70 18.578 20.646 -5.424 1.00 0.00 N ATOM 1114 CA GLY A 70 19.986 20.399 -5.670 1.00 0.00 C ATOM 1115 C GLY A 70 20.360 20.575 -7.129 1.00 0.00 C ATOM 1116 O GLY A 70 19.542 20.341 -8.018 1.00 0.00 O ATOM 0 H GLY A 70 18.009 20.757 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 70 20.583 21.078 -5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.234 19.386 -5.354 1.00 0.00 H new TER 1120 GLY A 70