USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 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 36 ASN : amide:sc= -1.26 K(o=-2.3,f=0.64) USER MOD Set 1.2: A 38 SER OG : rot 110:sc= -1.03 USER MOD Set 2.1: A 26 HIS : no HE2:sc= -15.5! C(o=-23!,f=-26!) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -7.07! C(o=-23!,f=-20!) USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.138 (180deg=-0.336) USER MOD Single : A 2 LYS NZ :NH3+ 155:sc= -0.0733 (180deg=-0.547) USER MOD Single : A 6 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 11 LYS NZ :NH3+ 135:sc= -1.6 (180deg=-3.83!) USER MOD Single : A 12 MET CE :methyl 167:sc= -0.975 (180deg=-1.82) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.122 USER MOD Single : A 15 TYR OH : rot 173:sc= -1.78 USER MOD Single : A 20 GLN : amide:sc= -1.05 K(o=-1,f=-3.1) USER MOD Single : A 21 THR OG1 : rot 103:sc= 1.32 USER MOD Single : A 22 SER OG : rot 85:sc= 0.661 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 174:sc= 0.0423 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 0.196 (180deg=0.137) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 112:sc= -4.21! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -176:sc= -0.0113 (180deg=-0.0196) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0297) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -122:sc= -0.598 (180deg=-0.613) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= -0.0966 (180deg=-0.598) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -141:sc= -1.7 (180deg=-6.09!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -42:sc= 1.05 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.971 -24.613 11.749 1.00 0.00 N ATOM 2 CA GLY A 1 -11.270 -25.716 11.034 1.00 0.00 C ATOM 3 C GLY A 1 -11.715 -25.747 9.570 1.00 0.00 C ATOM 4 O GLY A 1 -11.051 -26.317 8.729 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.558 -24.496 12.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.864 -23.728 11.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.981 -24.844 11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.191 -25.573 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.491 -26.670 11.512 1.00 0.00 H new ATOM 10 N LYS A 2 -12.833 -25.132 9.300 1.00 0.00 N ATOM 11 CA LYS A 2 -13.336 -25.113 7.907 1.00 0.00 C ATOM 12 C LYS A 2 -12.392 -24.305 7.009 1.00 0.00 C ATOM 13 O LYS A 2 -11.804 -24.837 6.086 1.00 0.00 O ATOM 14 CB LYS A 2 -14.742 -24.459 7.922 1.00 0.00 C ATOM 15 CG LYS A 2 -15.567 -24.942 6.714 1.00 0.00 C ATOM 16 CD LYS A 2 -15.029 -24.306 5.426 1.00 0.00 C ATOM 17 CE LYS A 2 -16.073 -24.459 4.319 1.00 0.00 C ATOM 18 NZ LYS A 2 -17.254 -23.591 4.596 1.00 0.00 N ATOM 0 H LYS A 2 -13.414 -24.646 9.983 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.389 -26.128 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.258 -24.711 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.646 -23.374 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.519 -26.028 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.616 -24.678 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.808 -23.252 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.095 -24.785 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.635 -24.192 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.387 -25.500 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.737 -23.366 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.911 -24.090 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.939 -22.710 5.050 1.00 0.00 H new ATOM 32 N GLY A 3 -12.259 -23.039 7.298 1.00 0.00 N ATOM 33 CA GLY A 3 -11.352 -22.185 6.470 1.00 0.00 C ATOM 34 C GLY A 3 -12.017 -21.797 5.145 1.00 0.00 C ATOM 35 O GLY A 3 -12.661 -22.606 4.508 1.00 0.00 O ATOM 0 H GLY A 3 -12.733 -22.560 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.088 -21.285 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.424 -22.721 6.271 1.00 0.00 H new ATOM 39 N ASP A 4 -11.832 -20.553 4.764 1.00 0.00 N ATOM 40 CA ASP A 4 -12.427 -20.057 3.493 1.00 0.00 C ATOM 41 C ASP A 4 -11.610 -18.871 2.967 1.00 0.00 C ATOM 42 O ASP A 4 -12.057 -17.744 3.012 1.00 0.00 O ATOM 43 CB ASP A 4 -13.854 -19.574 3.789 1.00 0.00 C ATOM 44 CG ASP A 4 -14.736 -20.778 4.127 1.00 0.00 C ATOM 45 OD1 ASP A 4 -14.845 -21.629 3.259 1.00 0.00 O ATOM 46 OD2 ASP A 4 -15.248 -20.778 5.233 1.00 0.00 O ATOM 0 H ASP A 4 -11.292 -19.862 5.285 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.430 -20.854 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.846 -18.869 4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.257 -19.044 2.926 1.00 0.00 H new ATOM 51 N PRO A 5 -10.407 -19.154 2.468 1.00 0.00 N ATOM 52 CA PRO A 5 -9.542 -18.098 1.944 1.00 0.00 C ATOM 53 C PRO A 5 -10.200 -17.327 0.804 1.00 0.00 C ATOM 54 O PRO A 5 -9.738 -16.268 0.428 1.00 0.00 O ATOM 55 CB PRO A 5 -8.250 -18.834 1.457 1.00 0.00 C ATOM 56 CG PRO A 5 -8.421 -20.352 1.818 1.00 0.00 C ATOM 57 CD PRO A 5 -9.850 -20.523 2.400 1.00 0.00 C ATOM 0 HA PRO A 5 -9.327 -17.349 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.115 -18.706 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.365 -18.420 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.288 -20.976 0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.669 -20.663 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.460 -21.165 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.821 -20.986 3.386 1.00 0.00 H new ATOM 65 N LYS A 6 -11.258 -17.858 0.277 1.00 0.00 N ATOM 66 CA LYS A 6 -11.931 -17.142 -0.827 1.00 0.00 C ATOM 67 C LYS A 6 -12.399 -15.776 -0.321 1.00 0.00 C ATOM 68 O LYS A 6 -12.909 -14.963 -1.067 1.00 0.00 O ATOM 69 CB LYS A 6 -13.148 -17.978 -1.279 1.00 0.00 C ATOM 70 CG LYS A 6 -12.690 -19.043 -2.279 1.00 0.00 C ATOM 71 CD LYS A 6 -11.579 -19.884 -1.643 1.00 0.00 C ATOM 72 CE LYS A 6 -11.362 -21.147 -2.480 1.00 0.00 C ATOM 73 NZ LYS A 6 -10.332 -22.020 -1.852 1.00 0.00 N ATOM 0 H LYS A 6 -11.680 -18.743 0.557 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.249 -17.000 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.619 -18.451 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.897 -17.332 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.529 -19.680 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.328 -18.570 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.656 -19.307 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.849 -20.152 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.301 -21.693 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.049 -20.873 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.198 -22.872 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.433 -21.502 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.645 -22.297 -0.900 1.00 0.00 H new ATOM 87 N LYS A 7 -12.200 -15.565 0.959 1.00 0.00 N ATOM 88 CA LYS A 7 -12.600 -14.289 1.592 1.00 0.00 C ATOM 89 C LYS A 7 -11.924 -13.087 0.877 1.00 0.00 C ATOM 90 O LYS A 7 -10.966 -13.263 0.151 1.00 0.00 O ATOM 91 CB LYS A 7 -12.105 -14.362 3.075 1.00 0.00 C ATOM 92 CG LYS A 7 -13.255 -14.804 3.992 1.00 0.00 C ATOM 93 CD LYS A 7 -12.703 -15.031 5.399 1.00 0.00 C ATOM 94 CE LYS A 7 -13.840 -15.474 6.322 1.00 0.00 C ATOM 95 NZ LYS A 7 -13.297 -15.896 7.644 1.00 0.00 N ATOM 0 H LYS A 7 -11.770 -16.239 1.592 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.679 -14.146 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.275 -15.063 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.731 -13.388 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.036 -14.044 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.710 -15.719 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.920 -15.789 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.249 -14.115 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.548 -14.656 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.388 -16.299 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.079 -16.194 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.638 -16.690 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.794 -15.099 8.083 1.00 0.00 H new ATOM 109 N PRO A 8 -12.463 -11.874 1.093 1.00 0.00 N ATOM 110 CA PRO A 8 -11.906 -10.666 0.473 1.00 0.00 C ATOM 111 C PRO A 8 -10.400 -10.542 0.738 1.00 0.00 C ATOM 112 O PRO A 8 -9.846 -11.270 1.540 1.00 0.00 O ATOM 113 CB PRO A 8 -12.687 -9.478 1.132 1.00 0.00 C ATOM 114 CG PRO A 8 -13.805 -10.105 2.032 1.00 0.00 C ATOM 115 CD PRO A 8 -13.655 -11.647 1.937 1.00 0.00 C ATOM 0 HA PRO A 8 -12.017 -10.683 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.016 -8.859 1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.123 -8.833 0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.701 -9.771 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.793 -9.792 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.528 -12.091 2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.542 -12.102 1.495 1.00 0.00 H new ATOM 123 N ARG A 9 -9.779 -9.615 0.049 1.00 0.00 N ATOM 124 CA ARG A 9 -8.314 -9.404 0.223 1.00 0.00 C ATOM 125 C ARG A 9 -7.930 -9.315 1.678 1.00 0.00 C ATOM 126 O ARG A 9 -7.308 -10.218 2.204 1.00 0.00 O ATOM 127 CB ARG A 9 -7.932 -8.088 -0.481 1.00 0.00 C ATOM 128 CG ARG A 9 -8.002 -8.284 -2.016 1.00 0.00 C ATOM 129 CD ARG A 9 -6.673 -8.884 -2.535 1.00 0.00 C ATOM 130 NE ARG A 9 -6.959 -9.744 -3.718 1.00 0.00 N ATOM 131 CZ ARG A 9 -5.987 -10.426 -4.264 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.787 -10.334 -3.757 1.00 0.00 N ATOM 133 NH2 ARG A 9 -6.250 -11.181 -5.294 1.00 0.00 N ATOM 0 H ARG A 9 -10.227 -8.996 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.785 -10.254 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.608 -7.290 -0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.927 -7.785 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.832 -8.944 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.194 -7.329 -2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.981 -8.087 -2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.193 -9.469 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.904 -9.800 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.620 -9.737 -2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.017 -10.859 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.201 -11.232 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.505 -11.721 -5.734 1.00 0.00 H new ATOM 147 N GLY A 10 -8.302 -8.244 2.318 1.00 0.00 N ATOM 148 CA GLY A 10 -7.943 -8.115 3.757 1.00 0.00 C ATOM 149 C GLY A 10 -8.052 -6.670 4.246 1.00 0.00 C ATOM 150 O GLY A 10 -7.594 -6.355 5.326 1.00 0.00 O ATOM 0 H GLY A 10 -8.828 -7.467 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.599 -8.750 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.925 -8.474 3.911 1.00 0.00 H new ATOM 154 N LYS A 11 -8.642 -5.818 3.446 1.00 0.00 N ATOM 155 CA LYS A 11 -8.780 -4.397 3.868 1.00 0.00 C ATOM 156 C LYS A 11 -7.409 -3.796 4.257 1.00 0.00 C ATOM 157 O LYS A 11 -7.223 -3.287 5.346 1.00 0.00 O ATOM 158 CB LYS A 11 -9.744 -4.373 5.082 1.00 0.00 C ATOM 159 CG LYS A 11 -10.424 -2.998 5.183 1.00 0.00 C ATOM 160 CD LYS A 11 -10.929 -2.771 6.622 1.00 0.00 C ATOM 161 CE LYS A 11 -11.745 -3.993 7.096 1.00 0.00 C ATOM 162 NZ LYS A 11 -10.848 -5.027 7.680 1.00 0.00 N ATOM 0 H LYS A 11 -9.029 -6.044 2.530 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.171 -3.795 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.497 -5.154 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.194 -4.584 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.721 -2.213 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.257 -2.941 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.084 -2.606 7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.547 -1.874 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.480 -3.681 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.298 -4.415 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.259 -5.383 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.741 -5.813 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.916 -4.608 7.874 1.00 0.00 H new ATOM 176 N MET A 12 -6.482 -3.856 3.335 1.00 0.00 N ATOM 177 CA MET A 12 -5.118 -3.305 3.611 1.00 0.00 C ATOM 178 C MET A 12 -5.141 -1.792 3.825 1.00 0.00 C ATOM 179 O MET A 12 -6.101 -1.122 3.494 1.00 0.00 O ATOM 180 CB MET A 12 -4.227 -3.612 2.379 1.00 0.00 C ATOM 181 CG MET A 12 -3.590 -4.996 2.526 1.00 0.00 C ATOM 182 SD MET A 12 -2.881 -5.726 1.039 1.00 0.00 S ATOM 183 CE MET A 12 -2.168 -4.202 0.374 1.00 0.00 C ATOM 0 H MET A 12 -6.608 -4.260 2.407 1.00 0.00 H new ATOM 0 HA MET A 12 -4.736 -3.766 4.522 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.825 -3.573 1.468 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.450 -2.853 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.805 -4.930 3.280 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.347 -5.679 2.912 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.478 -4.445 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.965 -3.564 -0.009 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.631 -3.677 1.164 1.00 0.00 H new ATOM 193 N SER A 13 -4.049 -1.295 4.372 1.00 0.00 N ATOM 194 CA SER A 13 -3.929 0.163 4.636 1.00 0.00 C ATOM 195 C SER A 13 -3.347 0.863 3.413 1.00 0.00 C ATOM 196 O SER A 13 -3.007 0.223 2.441 1.00 0.00 O ATOM 197 CB SER A 13 -2.963 0.356 5.816 1.00 0.00 C ATOM 198 OG SER A 13 -3.708 -0.064 6.951 1.00 0.00 O ATOM 0 H SER A 13 -3.237 -1.849 4.645 1.00 0.00 H new ATOM 0 HA SER A 13 -4.910 0.581 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.058 -0.239 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.650 1.396 5.908 1.00 0.00 H new ATOM 0 HG SER A 13 -3.157 0.027 7.756 1.00 0.00 H new ATOM 204 N SER A 14 -3.224 2.156 3.485 1.00 0.00 N ATOM 205 CA SER A 14 -2.670 2.896 2.336 1.00 0.00 C ATOM 206 C SER A 14 -1.193 2.599 2.163 1.00 0.00 C ATOM 207 O SER A 14 -0.694 2.553 1.057 1.00 0.00 O ATOM 208 CB SER A 14 -2.854 4.390 2.615 1.00 0.00 C ATOM 209 OG SER A 14 -2.057 4.625 3.761 1.00 0.00 O ATOM 0 H SER A 14 -3.484 2.726 4.290 1.00 0.00 H new ATOM 0 HA SER A 14 -3.185 2.596 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.528 4.997 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.900 4.636 2.799 1.00 0.00 H new ATOM 0 HG SER A 14 -2.116 5.571 4.012 1.00 0.00 H new ATOM 215 N TYR A 15 -0.517 2.405 3.256 1.00 0.00 N ATOM 216 CA TYR A 15 0.928 2.108 3.165 1.00 0.00 C ATOM 217 C TYR A 15 1.108 0.689 2.680 1.00 0.00 C ATOM 218 O TYR A 15 1.859 0.430 1.768 1.00 0.00 O ATOM 219 CB TYR A 15 1.561 2.246 4.575 1.00 0.00 C ATOM 220 CG TYR A 15 2.957 1.578 4.597 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.860 1.769 3.558 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.308 0.742 5.633 1.00 0.00 C ATOM 223 CE1 TYR A 15 5.076 1.128 3.563 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.528 0.104 5.633 1.00 0.00 C ATOM 225 CZ TYR A 15 5.418 0.290 4.598 1.00 0.00 C ATOM 226 OH TYR A 15 6.614 -0.382 4.581 1.00 0.00 O ATOM 0 H TYR A 15 -0.902 2.439 4.200 1.00 0.00 H new ATOM 0 HA TYR A 15 1.408 2.800 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.649 3.299 4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.915 1.781 5.320 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.604 2.426 2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.621 0.586 6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.768 1.284 2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.790 -0.549 6.453 1.00 0.00 H new ATOM 0 HH TYR A 15 6.744 -0.840 5.438 1.00 0.00 H new ATOM 236 N ALA A 16 0.418 -0.207 3.321 1.00 0.00 N ATOM 237 CA ALA A 16 0.523 -1.618 2.922 1.00 0.00 C ATOM 238 C ALA A 16 0.236 -1.770 1.440 1.00 0.00 C ATOM 239 O ALA A 16 0.727 -2.682 0.803 1.00 0.00 O ATOM 240 CB ALA A 16 -0.499 -2.431 3.714 1.00 0.00 C ATOM 0 H ALA A 16 -0.211 -0.017 4.101 1.00 0.00 H new ATOM 0 HA ALA A 16 1.533 -1.974 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.431 -3.480 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.295 -2.333 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.502 -2.061 3.501 1.00 0.00 H new ATOM 246 N PHE A 17 -0.555 -0.869 0.906 1.00 0.00 N ATOM 247 CA PHE A 17 -0.868 -0.966 -0.538 1.00 0.00 C ATOM 248 C PHE A 17 0.364 -0.597 -1.335 1.00 0.00 C ATOM 249 O PHE A 17 0.607 -1.128 -2.397 1.00 0.00 O ATOM 250 CB PHE A 17 -2.041 0.025 -0.854 1.00 0.00 C ATOM 251 CG PHE A 17 -3.267 -0.740 -1.372 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.376 -1.055 -2.713 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.297 -1.088 -0.514 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.495 -1.700 -3.189 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.414 -1.734 -0.995 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.513 -2.037 -2.332 1.00 0.00 C ATOM 0 H PHE A 17 -0.985 -0.089 1.403 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.167 -1.980 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.306 0.582 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.719 0.754 -1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.578 -0.793 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.224 -0.852 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.572 -1.941 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.214 -2.003 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.391 -2.540 -2.708 1.00 0.00 H new ATOM 266 N PHE A 18 1.118 0.309 -0.797 1.00 0.00 N ATOM 267 CA PHE A 18 2.348 0.740 -1.495 1.00 0.00 C ATOM 268 C PHE A 18 3.425 -0.309 -1.295 1.00 0.00 C ATOM 269 O PHE A 18 4.390 -0.351 -2.033 1.00 0.00 O ATOM 270 CB PHE A 18 2.804 2.105 -0.918 1.00 0.00 C ATOM 271 CG PHE A 18 4.276 2.365 -1.260 1.00 0.00 C ATOM 272 CD1 PHE A 18 4.623 3.015 -2.432 1.00 0.00 C ATOM 273 CD2 PHE A 18 5.278 1.952 -0.400 1.00 0.00 C ATOM 274 CE1 PHE A 18 5.949 3.244 -2.735 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.601 2.183 -0.708 1.00 0.00 C ATOM 276 CZ PHE A 18 6.935 2.828 -1.872 1.00 0.00 C ATOM 0 H PHE A 18 0.936 0.769 0.095 1.00 0.00 H new ATOM 0 HA PHE A 18 2.160 0.852 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.183 2.904 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.668 2.113 0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.852 3.344 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.022 1.445 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.213 3.751 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.377 1.856 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.973 3.009 -2.110 1.00 0.00 H new ATOM 286 N VAL A 19 3.246 -1.146 -0.280 1.00 0.00 N ATOM 287 CA VAL A 19 4.249 -2.197 -0.027 1.00 0.00 C ATOM 288 C VAL A 19 4.015 -3.327 -0.950 1.00 0.00 C ATOM 289 O VAL A 19 4.920 -3.797 -1.546 1.00 0.00 O ATOM 290 CB VAL A 19 4.154 -2.715 1.429 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.099 -3.929 1.594 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.603 -1.605 2.381 1.00 0.00 C ATOM 0 H VAL A 19 2.454 -1.130 0.362 1.00 0.00 H new ATOM 0 HA VAL A 19 5.240 -1.771 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 19 3.128 -3.008 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.039 -4.301 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.802 -4.718 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.123 -3.625 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.540 -1.960 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.633 -1.327 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.957 -0.736 2.257 1.00 0.00 H new ATOM 302 N GLN A 20 2.787 -3.756 -1.054 1.00 0.00 N ATOM 303 CA GLN A 20 2.517 -4.876 -1.964 1.00 0.00 C ATOM 304 C GLN A 20 2.944 -4.470 -3.356 1.00 0.00 C ATOM 305 O GLN A 20 3.277 -5.289 -4.188 1.00 0.00 O ATOM 306 CB GLN A 20 0.992 -5.234 -1.903 1.00 0.00 C ATOM 307 CG GLN A 20 0.169 -4.476 -2.997 1.00 0.00 C ATOM 308 CD GLN A 20 0.155 -5.267 -4.323 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.810 -6.278 -4.477 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.585 -4.829 -5.306 1.00 0.00 N ATOM 0 H GLN A 20 1.981 -3.381 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 20 3.077 -5.765 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.866 -6.309 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.600 -4.985 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.853 -4.324 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.600 -3.488 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.139 -3.981 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.609 -5.335 -6.191 1.00 0.00 H new ATOM 319 N THR A 21 2.946 -3.178 -3.561 1.00 0.00 N ATOM 320 CA THR A 21 3.342 -2.644 -4.872 1.00 0.00 C ATOM 321 C THR A 21 4.848 -2.640 -4.975 1.00 0.00 C ATOM 322 O THR A 21 5.398 -2.846 -6.040 1.00 0.00 O ATOM 323 CB THR A 21 2.805 -1.215 -4.991 1.00 0.00 C ATOM 324 OG1 THR A 21 1.401 -1.343 -4.955 1.00 0.00 O ATOM 325 CG2 THR A 21 3.096 -0.630 -6.371 1.00 0.00 C ATOM 0 H THR A 21 2.687 -2.477 -2.866 1.00 0.00 H new ATOM 0 HA THR A 21 2.936 -3.260 -5.674 1.00 0.00 H new ATOM 0 HB THR A 21 3.246 -0.592 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.071 -1.081 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.703 0.385 -6.426 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.173 -0.612 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.620 -1.245 -7.135 1.00 0.00 H new ATOM 333 N SER A 22 5.498 -2.408 -3.854 1.00 0.00 N ATOM 334 CA SER A 22 6.988 -2.390 -3.861 1.00 0.00 C ATOM 335 C SER A 22 7.497 -3.811 -3.730 1.00 0.00 C ATOM 336 O SER A 22 8.617 -4.109 -4.063 1.00 0.00 O ATOM 337 CB SER A 22 7.476 -1.577 -2.654 1.00 0.00 C ATOM 338 OG SER A 22 7.130 -0.238 -2.972 1.00 0.00 O ATOM 0 H SER A 22 5.062 -2.233 -2.949 1.00 0.00 H new ATOM 0 HA SER A 22 7.353 -1.946 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.994 -1.904 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.551 -1.687 -2.508 1.00 0.00 H new ATOM 0 HG SER A 22 6.202 -0.068 -2.706 1.00 0.00 H new ATOM 344 N ARG A 23 6.621 -4.658 -3.258 1.00 0.00 N ATOM 345 CA ARG A 23 6.957 -6.093 -3.064 1.00 0.00 C ATOM 346 C ARG A 23 7.003 -6.814 -4.386 1.00 0.00 C ATOM 347 O ARG A 23 7.979 -7.448 -4.714 1.00 0.00 O ATOM 348 CB ARG A 23 5.843 -6.700 -2.202 1.00 0.00 C ATOM 349 CG ARG A 23 6.196 -8.130 -1.802 1.00 0.00 C ATOM 350 CD ARG A 23 5.275 -8.554 -0.645 1.00 0.00 C ATOM 351 NE ARG A 23 5.373 -10.033 -0.449 1.00 0.00 N ATOM 352 CZ ARG A 23 4.672 -10.838 -1.209 1.00 0.00 C ATOM 353 NH1 ARG A 23 3.900 -10.330 -2.132 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.766 -12.125 -1.015 1.00 0.00 N ATOM 0 H ARG A 23 5.668 -4.407 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 23 7.934 -6.189 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.694 -6.093 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.903 -6.692 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.072 -8.802 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.241 -8.191 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.560 -8.035 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.245 -8.272 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 23 5.983 -10.414 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.848 -9.319 -2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.349 -10.945 -2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.377 -12.487 -0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.229 -12.769 -1.596 1.00 0.00 H new ATOM 368 N GLU A 24 5.943 -6.709 -5.115 1.00 0.00 N ATOM 369 CA GLU A 24 5.897 -7.382 -6.428 1.00 0.00 C ATOM 370 C GLU A 24 7.045 -6.892 -7.293 1.00 0.00 C ATOM 371 O GLU A 24 7.535 -7.600 -8.151 1.00 0.00 O ATOM 372 CB GLU A 24 4.565 -7.024 -7.111 1.00 0.00 C ATOM 373 CG GLU A 24 4.444 -7.802 -8.432 1.00 0.00 C ATOM 374 CD GLU A 24 2.975 -7.835 -8.870 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.405 -6.759 -8.939 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.507 -8.937 -9.110 1.00 0.00 O ATOM 0 H GLU A 24 5.105 -6.186 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 24 5.981 -8.461 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.730 -7.268 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.518 -5.952 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.054 -7.330 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.820 -8.817 -8.305 1.00 0.00 H new ATOM 383 N GLU A 25 7.452 -5.671 -7.044 1.00 0.00 N ATOM 384 CA GLU A 25 8.564 -5.089 -7.819 1.00 0.00 C ATOM 385 C GLU A 25 9.903 -5.590 -7.286 1.00 0.00 C ATOM 386 O GLU A 25 10.886 -5.631 -8.001 1.00 0.00 O ATOM 387 CB GLU A 25 8.492 -3.551 -7.662 1.00 0.00 C ATOM 388 CG GLU A 25 7.450 -2.991 -8.636 1.00 0.00 C ATOM 389 CD GLU A 25 7.182 -1.523 -8.297 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.134 -0.880 -7.887 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.041 -1.129 -8.468 1.00 0.00 O ATOM 0 H GLU A 25 7.053 -5.059 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 25 8.481 -5.380 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.226 -3.291 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.468 -3.108 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.808 -3.080 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.527 -3.566 -8.570 1.00 0.00 H new ATOM 398 N HIS A 26 9.900 -5.964 -6.033 1.00 0.00 N ATOM 399 CA HIS A 26 11.148 -6.476 -5.390 1.00 0.00 C ATOM 400 C HIS A 26 11.301 -7.976 -5.665 1.00 0.00 C ATOM 401 O HIS A 26 12.387 -8.485 -5.725 1.00 0.00 O ATOM 402 CB HIS A 26 11.018 -6.192 -3.848 1.00 0.00 C ATOM 403 CG HIS A 26 11.634 -7.306 -2.974 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.623 -7.158 -2.222 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.199 -8.599 -2.759 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.861 -8.208 -1.553 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.003 -9.189 -1.828 1.00 0.00 N ATOM 0 H HIS A 26 9.082 -5.937 -5.424 1.00 0.00 H new ATOM 0 HA HIS A 26 12.033 -5.983 -5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.506 -5.245 -3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.964 -6.079 -3.593 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.170 -6.299 -2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.358 -9.067 -3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.668 -8.297 -0.841 1.00 0.00 H new ATOM 415 N LYS A 27 10.203 -8.641 -5.865 1.00 0.00 N ATOM 416 CA LYS A 27 10.278 -10.093 -6.135 1.00 0.00 C ATOM 417 C LYS A 27 11.207 -10.383 -7.313 1.00 0.00 C ATOM 418 O LYS A 27 11.716 -11.479 -7.452 1.00 0.00 O ATOM 419 CB LYS A 27 8.864 -10.591 -6.481 1.00 0.00 C ATOM 420 CG LYS A 27 8.821 -12.118 -6.355 1.00 0.00 C ATOM 421 CD LYS A 27 7.397 -12.602 -6.623 1.00 0.00 C ATOM 422 CE LYS A 27 7.323 -14.106 -6.354 1.00 0.00 C ATOM 423 NZ LYS A 27 5.904 -14.565 -6.350 1.00 0.00 N ATOM 0 H LYS A 27 9.264 -8.243 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 27 10.670 -10.601 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.132 -10.138 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.598 -10.290 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.513 -12.573 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.140 -12.422 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.692 -12.070 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.115 -12.390 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.884 -14.646 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.788 -14.333 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.871 -15.588 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.379 -14.062 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.472 -14.365 -7.275 1.00 0.00 H new ATOM 437 N LYS A 28 11.424 -9.380 -8.128 1.00 0.00 N ATOM 438 CA LYS A 28 12.314 -9.563 -9.307 1.00 0.00 C ATOM 439 C LYS A 28 13.794 -9.398 -8.933 1.00 0.00 C ATOM 440 O LYS A 28 14.611 -10.211 -9.321 1.00 0.00 O ATOM 441 CB LYS A 28 11.939 -8.491 -10.353 1.00 0.00 C ATOM 442 CG LYS A 28 10.588 -8.869 -11.021 1.00 0.00 C ATOM 443 CD LYS A 28 10.838 -9.822 -12.218 1.00 0.00 C ATOM 444 CE LYS A 28 11.145 -9.003 -13.483 1.00 0.00 C ATOM 445 NZ LYS A 28 11.263 -9.899 -14.666 1.00 0.00 N ATOM 0 H LYS A 28 11.023 -8.448 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 28 12.180 -10.572 -9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.860 -7.514 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.721 -8.415 -11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.935 -9.350 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.077 -7.969 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.671 -10.489 -11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.962 -10.449 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.355 -8.271 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.072 -8.446 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.470 -9.331 -15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.032 -10.581 -14.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.369 -10.412 -14.804 1.00 0.00 H new ATOM 459 N LYS A 29 14.104 -8.354 -8.165 1.00 0.00 N ATOM 460 CA LYS A 29 15.535 -8.111 -7.751 1.00 0.00 C ATOM 461 C LYS A 29 15.829 -8.731 -6.380 1.00 0.00 C ATOM 462 O LYS A 29 16.797 -8.373 -5.735 1.00 0.00 O ATOM 463 CB LYS A 29 15.773 -6.566 -7.690 1.00 0.00 C ATOM 464 CG LYS A 29 17.255 -6.245 -8.048 1.00 0.00 C ATOM 465 CD LYS A 29 17.400 -6.037 -9.576 1.00 0.00 C ATOM 466 CE LYS A 29 17.076 -4.576 -9.934 1.00 0.00 C ATOM 467 NZ LYS A 29 17.072 -4.389 -11.415 1.00 0.00 N ATOM 0 H LYS A 29 13.431 -7.672 -7.815 1.00 0.00 H new ATOM 0 HA LYS A 29 16.201 -8.576 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.104 -6.058 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.541 -6.192 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.579 -5.349 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.901 -7.060 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.414 -6.282 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.729 -6.710 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.104 -4.302 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.812 -3.912 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.852 -3.398 -11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.008 -4.631 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.353 -5.008 -11.841 1.00 0.00 H new ATOM 481 N HIS A 30 14.977 -9.643 -5.960 1.00 0.00 N ATOM 482 CA HIS A 30 15.184 -10.308 -4.634 1.00 0.00 C ATOM 483 C HIS A 30 14.521 -11.704 -4.588 1.00 0.00 C ATOM 484 O HIS A 30 13.671 -11.950 -3.754 1.00 0.00 O ATOM 485 CB HIS A 30 14.503 -9.474 -3.536 1.00 0.00 C ATOM 486 CG HIS A 30 15.061 -8.045 -3.463 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.819 -7.632 -2.564 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.794 -6.942 -4.249 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.058 -6.394 -2.686 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.447 -5.863 -3.742 1.00 0.00 N ATOM 0 H HIS A 30 14.153 -9.952 -6.477 1.00 0.00 H new ATOM 0 HA HIS A 30 16.260 -10.397 -4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.430 -9.434 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.639 -9.965 -2.572 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.166 -6.937 -5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.686 -5.833 -2.010 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.464 -4.901 -4.081 1.00 0.00 H new ATOM 498 N PRO A 31 14.914 -12.601 -5.479 1.00 0.00 N ATOM 499 CA PRO A 31 14.330 -13.945 -5.493 1.00 0.00 C ATOM 500 C PRO A 31 14.816 -14.782 -4.297 1.00 0.00 C ATOM 501 O PRO A 31 14.210 -15.778 -3.951 1.00 0.00 O ATOM 502 CB PRO A 31 14.837 -14.582 -6.826 1.00 0.00 C ATOM 503 CG PRO A 31 15.945 -13.630 -7.394 1.00 0.00 C ATOM 504 CD PRO A 31 15.921 -12.339 -6.529 1.00 0.00 C ATOM 0 HA PRO A 31 13.243 -13.909 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.239 -15.580 -6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.019 -14.690 -7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 31 16.924 -14.107 -7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.753 -13.396 -8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 31 16.900 -12.136 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 31 15.651 -11.468 -7.127 1.00 0.00 H new ATOM 512 N ASP A 32 15.896 -14.337 -3.693 1.00 0.00 N ATOM 513 CA ASP A 32 16.479 -15.069 -2.509 1.00 0.00 C ATOM 514 C ASP A 32 16.010 -14.504 -1.161 1.00 0.00 C ATOM 515 O ASP A 32 15.906 -15.228 -0.191 1.00 0.00 O ATOM 516 CB ASP A 32 18.021 -14.931 -2.599 1.00 0.00 C ATOM 517 CG ASP A 32 18.375 -13.543 -3.149 1.00 0.00 C ATOM 518 OD1 ASP A 32 18.190 -12.602 -2.398 1.00 0.00 O ATOM 519 OD2 ASP A 32 18.804 -13.507 -4.292 1.00 0.00 O ATOM 0 H ASP A 32 16.403 -13.496 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 32 16.146 -16.106 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.468 -15.070 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.430 -15.707 -3.247 1.00 0.00 H new ATOM 524 N ALA A 33 15.744 -13.237 -1.123 1.00 0.00 N ATOM 525 CA ALA A 33 15.287 -12.623 0.158 1.00 0.00 C ATOM 526 C ALA A 33 14.086 -13.354 0.751 1.00 0.00 C ATOM 527 O ALA A 33 13.945 -13.436 1.956 1.00 0.00 O ATOM 528 CB ALA A 33 14.882 -11.174 -0.112 1.00 0.00 C ATOM 0 H ALA A 33 15.820 -12.597 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 33 16.109 -12.686 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.545 -10.711 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.738 -10.624 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.073 -11.152 -0.843 1.00 0.00 H new ATOM 534 N SER A 34 13.236 -13.856 -0.103 1.00 0.00 N ATOM 535 CA SER A 34 12.035 -14.586 0.389 1.00 0.00 C ATOM 536 C SER A 34 11.073 -13.641 1.113 1.00 0.00 C ATOM 537 O SER A 34 9.962 -14.017 1.417 1.00 0.00 O ATOM 538 CB SER A 34 12.494 -15.707 1.363 1.00 0.00 C ATOM 539 OG SER A 34 11.788 -16.863 0.928 1.00 0.00 O ATOM 0 H SER A 34 13.322 -13.792 -1.117 1.00 0.00 H new ATOM 0 HA SER A 34 11.510 -15.015 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.572 -15.858 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.252 -15.459 2.397 1.00 0.00 H new ATOM 0 HG SER A 34 12.026 -17.625 1.497 1.00 0.00 H new ATOM 545 N VAL A 35 11.533 -12.439 1.375 1.00 0.00 N ATOM 546 CA VAL A 35 10.684 -11.433 2.079 1.00 0.00 C ATOM 547 C VAL A 35 10.009 -12.002 3.332 1.00 0.00 C ATOM 548 O VAL A 35 8.889 -12.474 3.283 1.00 0.00 O ATOM 549 CB VAL A 35 9.598 -10.961 1.093 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.622 -9.985 1.810 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.280 -10.256 -0.082 1.00 0.00 C ATOM 0 H VAL A 35 12.467 -12.113 1.128 1.00 0.00 H new ATOM 0 HA VAL A 35 11.324 -10.613 2.405 1.00 0.00 H new ATOM 0 HB VAL A 35 9.027 -11.815 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.857 -9.655 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.149 -10.495 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.176 -9.120 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.525 -9.915 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.845 -9.400 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.957 -10.950 -0.580 1.00 0.00 H new ATOM 561 N ASN A 36 10.693 -11.927 4.441 1.00 0.00 N ATOM 562 CA ASN A 36 10.096 -12.458 5.692 1.00 0.00 C ATOM 563 C ASN A 36 8.966 -11.543 6.160 1.00 0.00 C ATOM 564 O ASN A 36 8.377 -11.750 7.202 1.00 0.00 O ATOM 565 CB ASN A 36 11.191 -12.501 6.769 1.00 0.00 C ATOM 566 CG ASN A 36 10.679 -13.260 7.998 1.00 0.00 C ATOM 567 OD1 ASN A 36 9.868 -14.159 7.898 1.00 0.00 O ATOM 568 ND2 ASN A 36 11.130 -12.929 9.176 1.00 0.00 N ATOM 0 H ASN A 36 11.627 -11.526 4.532 1.00 0.00 H new ATOM 0 HA ASN A 36 9.693 -13.455 5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.083 -12.988 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.478 -11.488 7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.802 -13.424 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.811 -12.175 9.268 1.00 0.00 H new ATOM 575 N PHE A 37 8.688 -10.545 5.360 1.00 0.00 N ATOM 576 CA PHE A 37 7.608 -9.582 5.703 1.00 0.00 C ATOM 577 C PHE A 37 7.820 -8.998 7.112 1.00 0.00 C ATOM 578 O PHE A 37 6.886 -8.592 7.783 1.00 0.00 O ATOM 579 CB PHE A 37 6.225 -10.326 5.584 1.00 0.00 C ATOM 580 CG PHE A 37 5.385 -9.642 4.491 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.127 -8.285 4.560 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.930 -10.356 3.393 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.434 -7.651 3.550 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.236 -9.717 2.384 1.00 0.00 C ATOM 585 CZ PHE A 37 3.990 -8.366 2.464 1.00 0.00 C ATOM 0 H PHE A 37 9.168 -10.358 4.480 1.00 0.00 H new ATOM 0 HA PHE A 37 7.624 -8.740 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.382 -11.376 5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.698 -10.298 6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.471 -7.717 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.119 -11.417 3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.240 -6.590 3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.886 -10.279 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.448 -7.868 1.674 1.00 0.00 H new ATOM 595 N SER A 38 9.067 -8.955 7.501 1.00 0.00 N ATOM 596 CA SER A 38 9.442 -8.414 8.842 1.00 0.00 C ATOM 597 C SER A 38 10.784 -7.728 8.717 1.00 0.00 C ATOM 598 O SER A 38 11.351 -7.261 9.688 1.00 0.00 O ATOM 599 CB SER A 38 9.558 -9.575 9.836 1.00 0.00 C ATOM 600 OG SER A 38 10.609 -10.371 9.314 1.00 0.00 O ATOM 0 H SER A 38 9.854 -9.277 6.938 1.00 0.00 H new ATOM 0 HA SER A 38 8.688 -7.709 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.788 -9.219 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.627 -10.138 9.903 1.00 0.00 H new ATOM 0 HG SER A 38 11.393 -10.301 9.898 1.00 0.00 H new ATOM 606 N GLU A 39 11.257 -7.696 7.490 1.00 0.00 N ATOM 607 CA GLU A 39 12.566 -7.062 7.171 1.00 0.00 C ATOM 608 C GLU A 39 12.444 -6.328 5.850 1.00 0.00 C ATOM 609 O GLU A 39 13.206 -5.429 5.552 1.00 0.00 O ATOM 610 CB GLU A 39 13.625 -8.173 7.026 1.00 0.00 C ATOM 611 CG GLU A 39 14.005 -8.689 8.415 1.00 0.00 C ATOM 612 CD GLU A 39 14.814 -7.618 9.147 1.00 0.00 C ATOM 613 OE1 GLU A 39 15.883 -7.312 8.645 1.00 0.00 O ATOM 614 OE2 GLU A 39 14.316 -7.166 10.164 1.00 0.00 O ATOM 0 H GLU A 39 10.775 -8.093 6.684 1.00 0.00 H new ATOM 0 HA GLU A 39 12.852 -6.366 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.234 -8.988 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.507 -7.787 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.107 -8.935 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.588 -9.606 8.328 1.00 0.00 H new ATOM 621 N PHE A 40 11.465 -6.738 5.081 1.00 0.00 N ATOM 622 CA PHE A 40 11.232 -6.112 3.766 1.00 0.00 C ATOM 623 C PHE A 40 10.430 -4.823 3.919 1.00 0.00 C ATOM 624 O PHE A 40 10.820 -3.803 3.415 1.00 0.00 O ATOM 625 CB PHE A 40 10.437 -7.091 2.906 1.00 0.00 C ATOM 626 CG PHE A 40 10.132 -6.428 1.571 1.00 0.00 C ATOM 627 CD1 PHE A 40 11.159 -6.111 0.701 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.836 -6.098 1.233 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.889 -5.472 -0.482 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.571 -5.462 0.051 1.00 0.00 C ATOM 631 CZ PHE A 40 9.594 -5.147 -0.810 1.00 0.00 C ATOM 0 H PHE A 40 10.817 -7.488 5.321 1.00 0.00 H new ATOM 0 HA PHE A 40 12.190 -5.874 3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.006 -8.008 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.512 -7.371 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.177 -6.367 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.027 -6.343 1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.695 -5.224 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.554 -5.207 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.381 -4.645 -1.742 1.00 0.00 H new ATOM 641 N SER A 41 9.285 -4.920 4.549 1.00 0.00 N ATOM 642 CA SER A 41 8.452 -3.708 4.743 1.00 0.00 C ATOM 643 C SER A 41 9.281 -2.609 5.377 1.00 0.00 C ATOM 644 O SER A 41 8.951 -1.462 5.283 1.00 0.00 O ATOM 645 CB SER A 41 7.282 -4.058 5.678 1.00 0.00 C ATOM 646 OG SER A 41 6.786 -5.292 5.175 1.00 0.00 O ATOM 0 H SER A 41 8.899 -5.783 4.933 1.00 0.00 H new ATOM 0 HA SER A 41 8.077 -3.364 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.614 -4.155 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.514 -3.284 5.661 1.00 0.00 H new ATOM 0 HG SER A 41 6.092 -5.635 5.776 1.00 0.00 H new ATOM 652 N LYS A 42 10.335 -2.982 6.044 1.00 0.00 N ATOM 653 CA LYS A 42 11.168 -1.946 6.665 1.00 0.00 C ATOM 654 C LYS A 42 11.725 -1.074 5.552 1.00 0.00 C ATOM 655 O LYS A 42 11.917 0.117 5.704 1.00 0.00 O ATOM 656 CB LYS A 42 12.325 -2.635 7.426 1.00 0.00 C ATOM 657 CG LYS A 42 12.837 -1.697 8.527 1.00 0.00 C ATOM 658 CD LYS A 42 14.159 -2.246 9.090 1.00 0.00 C ATOM 659 CE LYS A 42 13.970 -3.716 9.508 1.00 0.00 C ATOM 660 NZ LYS A 42 15.031 -4.129 10.470 1.00 0.00 N ATOM 0 H LYS A 42 10.644 -3.945 6.179 1.00 0.00 H new ATOM 0 HA LYS A 42 10.593 -1.338 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.981 -3.573 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.133 -2.881 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.988 -0.695 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.097 -1.613 9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.946 -2.169 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.476 -1.651 9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.988 -3.847 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.001 -4.357 8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.036 -5.165 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.957 -3.807 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.841 -3.704 11.400 1.00 0.00 H new ATOM 674 N LYS A 43 11.961 -1.719 4.443 1.00 0.00 N ATOM 675 CA LYS A 43 12.497 -1.034 3.265 1.00 0.00 C ATOM 676 C LYS A 43 11.422 -0.157 2.616 1.00 0.00 C ATOM 677 O LYS A 43 11.630 1.021 2.397 1.00 0.00 O ATOM 678 CB LYS A 43 12.935 -2.125 2.260 1.00 0.00 C ATOM 679 CG LYS A 43 14.035 -1.571 1.334 1.00 0.00 C ATOM 680 CD LYS A 43 15.409 -1.654 2.029 1.00 0.00 C ATOM 681 CE LYS A 43 16.509 -1.505 0.976 1.00 0.00 C ATOM 682 NZ LYS A 43 17.852 -1.526 1.618 1.00 0.00 N ATOM 0 H LYS A 43 11.796 -2.717 4.315 1.00 0.00 H new ATOM 0 HA LYS A 43 13.332 -0.395 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.305 -2.999 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.080 -2.452 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.056 -2.137 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.813 -0.536 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.499 -0.870 2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.511 -2.607 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.435 -2.312 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.375 -0.571 0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.587 -1.424 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.925 -0.741 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.984 -2.428 2.118 1.00 0.00 H new ATOM 696 N CYS A 44 10.282 -0.751 2.317 1.00 0.00 N ATOM 697 CA CYS A 44 9.210 0.035 1.690 1.00 0.00 C ATOM 698 C CYS A 44 8.797 1.178 2.596 1.00 0.00 C ATOM 699 O CYS A 44 8.520 2.268 2.144 1.00 0.00 O ATOM 700 CB CYS A 44 8.029 -0.885 1.457 1.00 0.00 C ATOM 701 SG CYS A 44 8.336 -2.408 0.530 1.00 0.00 S ATOM 0 H CYS A 44 10.068 -1.734 2.485 1.00 0.00 H new ATOM 0 HA CYS A 44 9.559 0.455 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.617 -1.158 2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.259 -0.320 0.932 1.00 0.00 H new ATOM 0 HG CYS A 44 8.200 -3.432 1.320 1.00 0.00 H new ATOM 707 N SER A 45 8.756 0.899 3.858 1.00 0.00 N ATOM 708 CA SER A 45 8.366 1.954 4.826 1.00 0.00 C ATOM 709 C SER A 45 9.303 3.138 4.672 1.00 0.00 C ATOM 710 O SER A 45 8.882 4.277 4.654 1.00 0.00 O ATOM 711 CB SER A 45 8.505 1.391 6.259 1.00 0.00 C ATOM 712 OG SER A 45 8.566 2.544 7.090 1.00 0.00 O ATOM 0 H SER A 45 8.974 -0.010 4.265 1.00 0.00 H new ATOM 0 HA SER A 45 7.338 2.267 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.657 0.758 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.402 0.781 6.360 1.00 0.00 H new ATOM 0 HG SER A 45 8.654 2.268 8.026 1.00 0.00 H new ATOM 718 N GLU A 46 10.564 2.840 4.557 1.00 0.00 N ATOM 719 CA GLU A 46 11.556 3.920 4.401 1.00 0.00 C ATOM 720 C GLU A 46 11.358 4.627 3.069 1.00 0.00 C ATOM 721 O GLU A 46 11.871 5.710 2.861 1.00 0.00 O ATOM 722 CB GLU A 46 12.968 3.280 4.439 1.00 0.00 C ATOM 723 CG GLU A 46 13.996 4.325 4.880 1.00 0.00 C ATOM 724 CD GLU A 46 15.337 3.633 5.130 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.802 3.002 4.195 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.819 3.772 6.242 1.00 0.00 O ATOM 0 H GLU A 46 10.945 1.894 4.565 1.00 0.00 H new ATOM 0 HA GLU A 46 11.440 4.651 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.976 2.435 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.229 2.892 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.106 5.092 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.657 4.827 5.786 1.00 0.00 H new ATOM 733 N ARG A 47 10.605 3.979 2.189 1.00 0.00 N ATOM 734 CA ARG A 47 10.321 4.547 0.835 1.00 0.00 C ATOM 735 C ARG A 47 8.914 5.161 0.767 1.00 0.00 C ATOM 736 O ARG A 47 8.574 5.805 -0.206 1.00 0.00 O ATOM 737 CB ARG A 47 10.416 3.387 -0.190 1.00 0.00 C ATOM 738 CG ARG A 47 10.706 3.952 -1.588 1.00 0.00 C ATOM 739 CD ARG A 47 11.089 2.798 -2.517 1.00 0.00 C ATOM 740 NE ARG A 47 12.304 2.128 -1.973 1.00 0.00 N ATOM 741 CZ ARG A 47 13.463 2.727 -2.059 1.00 0.00 C ATOM 742 NH1 ARG A 47 13.526 3.901 -2.624 1.00 0.00 N ATOM 743 NH2 ARG A 47 14.517 2.137 -1.565 1.00 0.00 N ATOM 0 H ARG A 47 10.175 3.071 2.365 1.00 0.00 H new ATOM 0 HA ARG A 47 11.041 5.336 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.205 2.694 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.484 2.822 -0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.829 4.472 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.514 4.682 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.267 2.086 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.282 3.171 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 47 12.232 1.209 -1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.680 4.337 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.422 4.383 -2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.429 1.223 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.429 2.590 -1.623 1.00 0.00 H new ATOM 757 N TRP A 48 8.130 4.934 1.814 1.00 0.00 N ATOM 758 CA TRP A 48 6.721 5.481 1.873 1.00 0.00 C ATOM 759 C TRP A 48 6.654 6.704 2.791 1.00 0.00 C ATOM 760 O TRP A 48 6.288 7.773 2.362 1.00 0.00 O ATOM 761 CB TRP A 48 5.841 4.337 2.423 1.00 0.00 C ATOM 762 CG TRP A 48 4.526 4.847 3.034 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.361 5.045 4.322 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.383 4.955 2.394 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.042 5.262 4.452 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.348 5.220 3.270 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.120 4.825 1.054 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.057 5.341 2.814 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.814 4.953 0.590 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.785 5.207 1.478 1.00 0.00 C ATOM 0 H TRP A 48 8.409 4.391 2.631 1.00 0.00 H new ATOM 0 HA TRP A 48 6.380 5.806 0.890 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.616 3.637 1.618 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.399 3.785 3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.113 5.035 5.098 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.596 5.442 5.351 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.924 4.624 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.256 5.542 3.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.604 4.854 -0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.230 5.299 1.120 1.00 0.00 H new ATOM 781 N LYS A 49 7.004 6.510 4.028 1.00 0.00 N ATOM 782 CA LYS A 49 6.974 7.657 5.017 1.00 0.00 C ATOM 783 C LYS A 49 7.666 8.901 4.454 1.00 0.00 C ATOM 784 O LYS A 49 7.461 10.000 4.924 1.00 0.00 O ATOM 785 CB LYS A 49 7.773 7.259 6.288 1.00 0.00 C ATOM 786 CG LYS A 49 7.242 5.959 6.894 1.00 0.00 C ATOM 787 CD LYS A 49 5.927 6.234 7.639 1.00 0.00 C ATOM 788 CE LYS A 49 5.523 4.982 8.421 1.00 0.00 C ATOM 789 NZ LYS A 49 4.386 5.284 9.331 1.00 0.00 N ATOM 0 H LYS A 49 7.311 5.616 4.411 1.00 0.00 H new ATOM 0 HA LYS A 49 5.927 7.870 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.827 7.141 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.709 8.059 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.079 5.221 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.978 5.539 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.049 7.078 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.143 6.504 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.242 4.188 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.372 4.616 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.123 4.425 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.667 6.027 10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.572 5.612 8.773 1.00 0.00 H new ATOM 803 N THR A 50 8.460 8.691 3.454 1.00 0.00 N ATOM 804 CA THR A 50 9.200 9.815 2.820 1.00 0.00 C ATOM 805 C THR A 50 8.367 10.599 1.811 1.00 0.00 C ATOM 806 O THR A 50 8.504 11.802 1.695 1.00 0.00 O ATOM 807 CB THR A 50 10.393 9.188 2.090 1.00 0.00 C ATOM 808 OG1 THR A 50 10.706 10.052 1.005 1.00 0.00 O ATOM 809 CG2 THR A 50 9.959 7.875 1.432 1.00 0.00 C ATOM 0 H THR A 50 8.634 7.776 3.039 1.00 0.00 H new ATOM 0 HA THR A 50 9.489 10.524 3.596 1.00 0.00 H new ATOM 0 HB THR A 50 11.214 9.032 2.789 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.469 9.690 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.808 7.430 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.599 7.186 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.160 8.073 0.717 1.00 0.00 H new ATOM 817 N MET A 51 7.549 9.912 1.095 1.00 0.00 N ATOM 818 CA MET A 51 6.712 10.596 0.092 1.00 0.00 C ATOM 819 C MET A 51 5.809 11.651 0.723 1.00 0.00 C ATOM 820 O MET A 51 5.853 11.872 1.920 1.00 0.00 O ATOM 821 CB MET A 51 5.854 9.538 -0.614 1.00 0.00 C ATOM 822 CG MET A 51 6.771 8.481 -1.264 1.00 0.00 C ATOM 823 SD MET A 51 6.116 7.585 -2.697 1.00 0.00 S ATOM 824 CE MET A 51 4.744 6.762 -1.849 1.00 0.00 C ATOM 0 H MET A 51 7.420 8.902 1.158 1.00 0.00 H new ATOM 0 HA MET A 51 7.363 11.111 -0.615 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.183 9.062 0.101 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.229 10.009 -1.373 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.694 8.975 -1.568 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.037 7.750 -0.501 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.238 6.090 -2.543 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.129 6.190 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.038 7.510 -1.488 1.00 0.00 H new ATOM 834 N SER A 52 4.999 12.282 -0.118 1.00 0.00 N ATOM 835 CA SER A 52 4.058 13.347 0.363 1.00 0.00 C ATOM 836 C SER A 52 2.637 12.829 0.363 1.00 0.00 C ATOM 837 O SER A 52 2.323 11.903 -0.348 1.00 0.00 O ATOM 838 CB SER A 52 4.157 14.528 -0.615 1.00 0.00 C ATOM 839 OG SER A 52 5.547 14.623 -0.900 1.00 0.00 O ATOM 0 H SER A 52 4.956 12.097 -1.120 1.00 0.00 H new ATOM 0 HA SER A 52 4.321 13.648 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.576 14.347 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.777 15.448 -0.170 1.00 0.00 H new ATOM 0 HG SER A 52 5.703 15.360 -1.527 1.00 0.00 H new ATOM 845 N ALA A 53 1.801 13.434 1.169 1.00 0.00 N ATOM 846 CA ALA A 53 0.392 12.987 1.226 1.00 0.00 C ATOM 847 C ALA A 53 -0.218 12.910 -0.164 1.00 0.00 C ATOM 848 O ALA A 53 -1.140 12.155 -0.397 1.00 0.00 O ATOM 849 CB ALA A 53 -0.403 13.985 2.055 1.00 0.00 C ATOM 0 H ALA A 53 2.039 14.213 1.783 1.00 0.00 H new ATOM 0 HA ALA A 53 0.361 11.993 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.445 13.668 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.011 14.033 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.346 14.970 1.592 1.00 0.00 H new ATOM 855 N LYS A 54 0.300 13.699 -1.064 1.00 0.00 N ATOM 856 CA LYS A 54 -0.248 13.669 -2.438 1.00 0.00 C ATOM 857 C LYS A 54 -0.053 12.285 -3.028 1.00 0.00 C ATOM 858 O LYS A 54 -1.002 11.632 -3.442 1.00 0.00 O ATOM 859 CB LYS A 54 0.518 14.683 -3.300 1.00 0.00 C ATOM 860 CG LYS A 54 0.244 16.096 -2.787 1.00 0.00 C ATOM 861 CD LYS A 54 1.067 17.092 -3.612 1.00 0.00 C ATOM 862 CE LYS A 54 1.072 18.449 -2.909 1.00 0.00 C ATOM 863 NZ LYS A 54 -0.294 19.044 -2.919 1.00 0.00 N ATOM 0 H LYS A 54 1.067 14.352 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.310 13.915 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.587 14.473 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.210 14.597 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.818 16.327 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.508 16.172 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.087 16.728 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.645 17.189 -4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.417 18.332 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.772 19.121 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.256 20.008 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.650 19.079 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.931 18.461 -2.339 1.00 0.00 H new ATOM 877 N GLU A 55 1.182 11.845 -3.047 1.00 0.00 N ATOM 878 CA GLU A 55 1.453 10.513 -3.603 1.00 0.00 C ATOM 879 C GLU A 55 0.781 9.462 -2.739 1.00 0.00 C ATOM 880 O GLU A 55 0.105 8.577 -3.234 1.00 0.00 O ATOM 881 CB GLU A 55 2.969 10.285 -3.599 1.00 0.00 C ATOM 882 CG GLU A 55 3.663 11.539 -4.146 1.00 0.00 C ATOM 883 CD GLU A 55 5.142 11.234 -4.388 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.390 10.424 -5.266 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.941 11.826 -3.682 1.00 0.00 O ATOM 0 H GLU A 55 1.996 12.355 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 55 1.066 10.443 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.315 10.074 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.221 9.418 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.188 11.855 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.561 12.363 -3.439 1.00 0.00 H new ATOM 892 N LYS A 56 0.954 9.576 -1.450 1.00 0.00 N ATOM 893 CA LYS A 56 0.324 8.588 -0.576 1.00 0.00 C ATOM 894 C LYS A 56 -1.172 8.802 -0.627 1.00 0.00 C ATOM 895 O LYS A 56 -1.932 8.089 -0.014 1.00 0.00 O ATOM 896 CB LYS A 56 0.822 8.804 0.859 1.00 0.00 C ATOM 897 CG LYS A 56 2.323 8.467 0.933 1.00 0.00 C ATOM 898 CD LYS A 56 2.843 8.644 2.409 1.00 0.00 C ATOM 899 CE LYS A 56 3.703 9.920 2.535 1.00 0.00 C ATOM 900 NZ LYS A 56 3.651 10.437 3.928 1.00 0.00 N ATOM 0 H LYS A 56 1.498 10.303 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 56 0.571 7.576 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.654 9.837 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.262 8.174 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.491 7.443 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.884 9.117 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.997 8.701 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.431 7.773 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.734 9.701 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.342 10.681 1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.233 11.296 4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.667 10.663 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.016 9.714 4.580 1.00 0.00 H new ATOM 914 N GLY A 57 -1.553 9.807 -1.386 1.00 0.00 N ATOM 915 CA GLY A 57 -2.996 10.139 -1.535 1.00 0.00 C ATOM 916 C GLY A 57 -3.695 9.152 -2.472 1.00 0.00 C ATOM 917 O GLY A 57 -4.753 8.649 -2.156 1.00 0.00 O ATOM 0 H GLY A 57 -0.917 10.410 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.479 10.122 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.101 11.152 -1.925 1.00 0.00 H new ATOM 921 N LYS A 58 -3.110 8.895 -3.616 1.00 0.00 N ATOM 922 CA LYS A 58 -3.771 7.942 -4.535 1.00 0.00 C ATOM 923 C LYS A 58 -3.711 6.547 -3.945 1.00 0.00 C ATOM 924 O LYS A 58 -4.489 5.683 -4.292 1.00 0.00 O ATOM 925 CB LYS A 58 -3.040 7.954 -5.881 1.00 0.00 C ATOM 926 CG LYS A 58 -1.516 7.761 -5.651 1.00 0.00 C ATOM 927 CD LYS A 58 -0.929 6.958 -6.794 1.00 0.00 C ATOM 928 CE LYS A 58 0.581 6.913 -6.641 1.00 0.00 C ATOM 929 NZ LYS A 58 1.181 5.959 -7.615 1.00 0.00 N ATOM 0 H LYS A 58 -2.229 9.295 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.812 8.232 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.424 7.160 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.223 8.897 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.022 8.730 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.342 7.248 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.338 5.948 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.198 7.410 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.997 7.908 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.840 6.614 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.214 5.943 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.798 5.006 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.951 6.261 -8.583 1.00 0.00 H new ATOM 943 N PHE A 59 -2.775 6.361 -3.058 1.00 0.00 N ATOM 944 CA PHE A 59 -2.624 5.035 -2.410 1.00 0.00 C ATOM 945 C PHE A 59 -3.682 4.926 -1.346 1.00 0.00 C ATOM 946 O PHE A 59 -4.106 3.850 -0.970 1.00 0.00 O ATOM 947 CB PHE A 59 -1.226 4.949 -1.748 1.00 0.00 C ATOM 948 CG PHE A 59 -0.191 4.462 -2.772 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.292 3.199 -3.318 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.866 5.273 -3.152 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.647 2.756 -4.227 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.799 4.826 -4.056 1.00 0.00 C ATOM 953 CZ PHE A 59 1.690 3.571 -4.594 1.00 0.00 C ATOM 0 H PHE A 59 -2.109 7.072 -2.755 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.726 4.233 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.936 5.926 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.258 4.267 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.110 2.554 -3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.957 6.265 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.562 1.766 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.620 5.466 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.423 3.223 -5.306 1.00 0.00 H new ATOM 963 N GLU A 60 -4.085 6.069 -0.874 1.00 0.00 N ATOM 964 CA GLU A 60 -5.115 6.115 0.166 1.00 0.00 C ATOM 965 C GLU A 60 -6.439 5.836 -0.499 1.00 0.00 C ATOM 966 O GLU A 60 -7.391 5.419 0.128 1.00 0.00 O ATOM 967 CB GLU A 60 -5.109 7.557 0.783 1.00 0.00 C ATOM 968 CG GLU A 60 -4.704 7.506 2.268 1.00 0.00 C ATOM 969 CD GLU A 60 -5.719 6.667 3.057 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.818 6.520 2.549 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.336 6.225 4.129 1.00 0.00 O ATOM 0 H GLU A 60 -3.734 6.978 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.937 5.384 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.415 8.192 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.098 8.005 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.707 7.076 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.658 8.516 2.676 1.00 0.00 H new ATOM 978 N ASP A 61 -6.460 6.075 -1.781 1.00 0.00 N ATOM 979 CA ASP A 61 -7.694 5.839 -2.546 1.00 0.00 C ATOM 980 C ASP A 61 -7.851 4.353 -2.813 1.00 0.00 C ATOM 981 O ASP A 61 -8.949 3.834 -2.828 1.00 0.00 O ATOM 982 CB ASP A 61 -7.582 6.599 -3.879 1.00 0.00 C ATOM 983 CG ASP A 61 -8.978 6.783 -4.480 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.579 7.793 -4.153 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.365 5.903 -5.230 1.00 0.00 O ATOM 0 H ASP A 61 -5.670 6.424 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.562 6.187 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.113 7.570 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.946 6.048 -4.572 1.00 0.00 H new ATOM 990 N MET A 62 -6.743 3.687 -3.032 1.00 0.00 N ATOM 991 CA MET A 62 -6.821 2.244 -3.292 1.00 0.00 C ATOM 992 C MET A 62 -7.208 1.530 -2.018 1.00 0.00 C ATOM 993 O MET A 62 -8.047 0.659 -2.027 1.00 0.00 O ATOM 994 CB MET A 62 -5.442 1.737 -3.788 1.00 0.00 C ATOM 995 CG MET A 62 -5.149 2.310 -5.198 1.00 0.00 C ATOM 996 SD MET A 62 -3.961 1.418 -6.232 1.00 0.00 S ATOM 997 CE MET A 62 -2.505 1.728 -5.214 1.00 0.00 C ATOM 0 H MET A 62 -5.805 4.088 -3.039 1.00 0.00 H new ATOM 0 HA MET A 62 -7.571 2.044 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.660 2.041 -3.092 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.434 0.647 -3.819 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.092 2.366 -5.741 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.790 3.332 -5.078 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.748 2.239 -5.808 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.781 2.352 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.105 0.780 -4.853 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.584 1.903 -0.935 1.00 0.00 N ATOM 1008 CA ALA A 63 -6.926 1.244 0.337 1.00 0.00 C ATOM 1009 C ALA A 63 -8.373 1.565 0.683 1.00 0.00 C ATOM 1010 O ALA A 63 -9.039 0.806 1.359 1.00 0.00 O ATOM 1011 CB ALA A 63 -5.998 1.786 1.441 1.00 0.00 C ATOM 0 H ALA A 63 -5.865 2.624 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.802 0.164 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.241 1.306 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.961 1.573 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.135 2.863 1.535 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.832 2.699 0.202 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.229 3.101 0.478 1.00 0.00 C ATOM 1019 C LYS A 64 -11.165 2.340 -0.433 1.00 0.00 C ATOM 1020 O LYS A 64 -12.289 2.043 -0.077 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.371 4.609 0.201 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.840 5.020 0.346 1.00 0.00 C ATOM 1023 CD LYS A 64 -11.933 6.548 0.361 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.403 6.964 0.259 1.00 0.00 C ATOM 1025 NZ LYS A 64 -13.960 6.589 -1.071 1.00 0.00 N ATOM 0 H LYS A 64 -8.294 3.353 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.478 2.882 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.753 5.177 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.015 4.840 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.427 4.616 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.257 4.609 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.494 6.942 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.366 6.967 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.979 6.483 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.494 8.040 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.762 7.211 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.223 6.693 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.285 5.601 -1.045 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.684 2.023 -1.607 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.527 1.285 -2.542 1.00 0.00 C ATOM 1041 C ALA A 65 -11.700 -0.116 -2.045 1.00 0.00 C ATOM 1042 O ALA A 65 -12.799 -0.620 -1.958 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.842 1.253 -3.915 1.00 0.00 C ATOM 0 H ALA A 65 -9.747 2.250 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.500 1.768 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.466 0.703 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.700 2.272 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.873 0.761 -3.827 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.600 -0.717 -1.706 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.651 -2.096 -1.201 1.00 0.00 C ATOM 1051 C ASP A 66 -11.574 -2.167 -0.009 1.00 0.00 C ATOM 1052 O ASP A 66 -12.259 -3.153 0.188 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.237 -2.516 -0.765 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.216 -4.024 -0.511 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.569 -4.732 -1.438 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.849 -4.381 0.596 1.00 0.00 O ATOM 0 H ASP A 66 -9.668 -0.305 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.018 -2.759 -1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.513 -2.255 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.947 -1.979 0.138 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.572 -1.116 0.779 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.447 -1.105 1.961 1.00 0.00 C ATOM 1063 C LYS A 67 -13.877 -1.363 1.528 1.00 0.00 C ATOM 1064 O LYS A 67 -14.608 -2.084 2.176 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.363 0.286 2.638 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.859 0.180 4.104 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.422 1.538 4.563 1.00 0.00 C ATOM 1068 CE LYS A 67 -12.320 2.602 4.506 1.00 0.00 C ATOM 1069 NZ LYS A 67 -12.677 3.766 5.367 1.00 0.00 N ATOM 0 H LYS A 67 -11.003 -0.280 0.644 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.131 -1.878 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.336 0.651 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.969 1.006 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.628 -0.588 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.038 -0.123 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.256 1.831 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.810 1.457 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.374 2.173 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.178 2.933 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.921 4.479 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.569 4.184 5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.790 3.448 6.351 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.249 -0.763 0.428 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.614 -0.957 -0.068 1.00 0.00 C ATOM 1085 C ALA A 68 -15.805 -2.391 -0.527 1.00 0.00 C ATOM 1086 O ALA A 68 -16.850 -2.975 -0.340 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.842 -0.009 -1.258 1.00 0.00 C ATOM 0 H ALA A 68 -13.659 -0.152 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.326 -0.745 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.855 -0.141 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.709 1.023 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.125 -0.236 -2.047 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.784 -2.935 -1.115 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.881 -4.335 -1.595 1.00 0.00 C ATOM 1095 C ARG A 69 -14.913 -5.292 -0.416 1.00 0.00 C ATOM 1096 O ARG A 69 -15.360 -6.414 -0.539 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.645 -4.653 -2.457 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.538 -3.636 -3.603 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.741 -3.778 -4.552 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.872 -2.958 -4.025 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.838 -2.595 -4.829 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.791 -2.957 -6.083 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.819 -1.881 -4.349 1.00 0.00 N ATOM 0 H ARG A 69 -13.890 -2.474 -1.284 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.795 -4.451 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.744 -4.621 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.721 -5.663 -2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.501 -2.624 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.610 -3.793 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.471 -3.447 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.038 -4.824 -4.630 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.891 -2.682 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.008 -3.515 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.537 -2.681 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.823 -1.616 -3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.582 -1.587 -4.959 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.433 -4.823 0.710 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.418 -5.679 1.926 1.00 0.00 C ATOM 1119 C TYR A 70 -15.767 -5.641 2.636 1.00 0.00 C ATOM 1120 O TYR A 70 -16.254 -6.653 3.093 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.348 -5.137 2.886 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.087 -6.175 3.980 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -13.929 -6.270 5.070 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.019 -7.042 3.882 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -13.705 -7.217 6.048 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -11.794 -7.989 4.861 1.00 0.00 C ATOM 1127 CZ TYR A 70 -12.637 -8.084 5.951 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.417 -9.034 6.926 1.00 0.00 O ATOM 0 H TYR A 70 -14.052 -3.885 0.835 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.204 -6.707 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.428 -4.924 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.681 -4.199 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.770 -5.598 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.354 -6.980 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.371 -7.280 6.896 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.953 -8.661 4.774 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.622 -9.560 6.697 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.345 -4.463 2.713 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.660 -4.323 3.389 1.00 0.00 C ATOM 1140 C GLU A 71 -18.819 -4.726 2.474 1.00 0.00 C ATOM 1141 O GLU A 71 -19.654 -5.528 2.846 1.00 0.00 O ATOM 1142 CB GLU A 71 -17.838 -2.850 3.777 1.00 0.00 C ATOM 1143 CG GLU A 71 -16.756 -2.465 4.785 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.040 -3.156 6.120 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.068 -2.829 6.690 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -16.215 -3.973 6.492 1.00 0.00 O ATOM 0 H GLU A 71 -15.957 -3.599 2.335 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.673 -4.979 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.770 -2.217 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.827 -2.691 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.775 -2.758 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.736 -1.383 4.919 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.847 -4.155 1.298 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.942 -4.486 0.339 1.00 0.00 C ATOM 1155 C ARG A 72 -20.090 -5.984 0.142 1.00 0.00 C ATOM 1156 O ARG A 72 -21.189 -6.491 0.039 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.608 -3.845 -1.017 1.00 0.00 C ATOM 1158 CG ARG A 72 -20.857 -3.878 -1.922 1.00 0.00 C ATOM 1159 CD ARG A 72 -21.882 -2.815 -1.467 1.00 0.00 C ATOM 1160 NE ARG A 72 -22.705 -2.418 -2.650 1.00 0.00 N ATOM 1161 CZ ARG A 72 -23.344 -1.277 -2.643 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -23.257 -0.503 -1.594 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -24.048 -0.943 -3.692 1.00 0.00 N ATOM 0 H ARG A 72 -18.163 -3.477 0.962 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.879 -4.104 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.277 -2.817 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.787 -4.381 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -20.569 -3.694 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -21.312 -4.868 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -22.519 -3.215 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -21.370 -1.947 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 72 -22.768 -3.035 -3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -22.695 -0.791 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.751 0.389 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -24.092 -1.568 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -24.554 -0.057 -3.706 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.990 -6.668 0.100 1.00 0.00 N ATOM 1178 CA GLU A 73 -19.058 -8.139 -0.091 1.00 0.00 C ATOM 1179 C GLU A 73 -19.497 -8.820 1.190 1.00 0.00 C ATOM 1180 O GLU A 73 -20.180 -9.825 1.161 1.00 0.00 O ATOM 1181 CB GLU A 73 -17.664 -8.650 -0.476 1.00 0.00 C ATOM 1182 CG GLU A 73 -17.363 -8.219 -1.912 1.00 0.00 C ATOM 1183 CD GLU A 73 -16.026 -8.818 -2.359 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -15.338 -9.320 -1.487 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -15.770 -8.739 -3.549 1.00 0.00 O ATOM 0 H GLU A 73 -18.052 -6.278 0.189 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.780 -8.365 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.913 -8.248 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.623 -9.736 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.161 -8.550 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.325 -7.132 -1.976 1.00 0.00 H new ATOM 1192 N MET A 74 -19.101 -8.264 2.300 1.00 0.00 N ATOM 1193 CA MET A 74 -19.491 -8.870 3.581 1.00 0.00 C ATOM 1194 C MET A 74 -21.009 -8.854 3.728 1.00 0.00 C ATOM 1195 O MET A 74 -21.548 -9.413 4.666 1.00 0.00 O ATOM 1196 CB MET A 74 -18.826 -8.050 4.742 1.00 0.00 C ATOM 1197 CG MET A 74 -17.759 -8.904 5.460 1.00 0.00 C ATOM 1198 SD MET A 74 -16.176 -9.185 4.601 1.00 0.00 S ATOM 1199 CE MET A 74 -16.650 -10.612 3.567 1.00 0.00 C ATOM 0 H MET A 74 -18.529 -7.422 2.366 1.00 0.00 H new ATOM 0 HA MET A 74 -19.155 -9.906 3.620 1.00 0.00 H new ATOM 0 HB2 MET A 74 -18.368 -7.146 4.341 1.00 0.00 H new ATOM 0 HB3 MET A 74 -19.587 -7.733 5.455 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.541 -8.432 6.418 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.199 -9.877 5.677 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.824 -11.321 3.525 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.525 -11.099 3.998 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.885 -10.269 2.559 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.670 -8.202 2.802 1.00 0.00 N ATOM 1210 CA LYS A 75 -23.138 -8.139 2.865 1.00 0.00 C ATOM 1211 C LYS A 75 -23.682 -9.548 2.930 1.00 0.00 C ATOM 1212 O LYS A 75 -24.773 -9.789 3.407 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.625 -7.457 1.573 1.00 0.00 C ATOM 1214 CG LYS A 75 -25.147 -7.599 1.440 1.00 0.00 C ATOM 1215 CD LYS A 75 -25.650 -6.649 0.339 1.00 0.00 C ATOM 1216 CE LYS A 75 -24.834 -6.868 -0.947 1.00 0.00 C ATOM 1217 NZ LYS A 75 -25.553 -6.308 -2.127 1.00 0.00 N ATOM 0 H LYS A 75 -21.245 -7.716 2.012 1.00 0.00 H new ATOM 0 HA LYS A 75 -23.474 -7.584 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -23.350 -6.402 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.134 -7.905 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -25.408 -8.629 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -25.630 -7.364 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -26.707 -6.829 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -25.558 -5.614 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.858 -6.393 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.657 -7.933 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.987 -6.465 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -26.474 -6.780 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -25.700 -5.287 -1.992 1.00 0.00 H new ATOM 1231 N THR A 76 -22.872 -10.449 2.458 1.00 0.00 N ATOM 1232 CA THR A 76 -23.243 -11.877 2.446 1.00 0.00 C ATOM 1233 C THR A 76 -22.008 -12.711 2.054 1.00 0.00 C ATOM 1234 O THR A 76 -22.121 -13.823 1.581 1.00 0.00 O ATOM 1235 CB THR A 76 -24.366 -12.069 1.400 1.00 0.00 C ATOM 1236 OG1 THR A 76 -24.732 -13.433 1.468 1.00 0.00 O ATOM 1237 CG2 THR A 76 -23.821 -11.873 -0.020 1.00 0.00 C ATOM 0 H THR A 76 -21.950 -10.246 2.073 1.00 0.00 H new ATOM 0 HA THR A 76 -23.591 -12.199 3.428 1.00 0.00 H new ATOM 0 HB THR A 76 -25.176 -11.367 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 76 -23.926 -13.985 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 76 -24.626 -12.012 -0.741 1.00 0.00 H new ATOM 0 HG22 THR A 76 -23.416 -10.866 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 76 -23.033 -12.601 -0.211 1.00 0.00 H new ATOM 1245 N TYR A 77 -20.840 -12.122 2.270 1.00 0.00 N ATOM 1246 CA TYR A 77 -19.552 -12.810 1.939 1.00 0.00 C ATOM 1247 C TYR A 77 -19.534 -13.270 0.472 1.00 0.00 C ATOM 1248 O TYR A 77 -19.938 -14.375 0.149 1.00 0.00 O ATOM 1249 CB TYR A 77 -19.351 -14.019 2.906 1.00 0.00 C ATOM 1250 CG TYR A 77 -18.345 -15.025 2.315 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -17.239 -14.593 1.598 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -18.560 -16.374 2.455 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -16.377 -15.508 1.034 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -17.698 -17.285 1.892 1.00 0.00 C ATOM 1255 CZ TYR A 77 -16.602 -16.860 1.177 1.00 0.00 C ATOM 1256 OH TYR A 77 -15.748 -17.775 0.609 1.00 0.00 O ATOM 0 H TYR A 77 -20.734 -11.187 2.665 1.00 0.00 H new ATOM 0 HA TYR A 77 -18.729 -12.108 2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.993 -13.663 3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -20.306 -14.513 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.053 -13.536 1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -19.416 -16.723 3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.519 -15.163 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.883 -18.342 2.012 1.00 0.00 H new ATOM 0 HH TYR A 77 -16.059 -18.682 0.812 1.00 0.00 H new ATOM 1266 N ILE A 78 -19.050 -12.378 -0.379 1.00 0.00 N ATOM 1267 CA ILE A 78 -18.958 -12.656 -1.859 1.00 0.00 C ATOM 1268 C ILE A 78 -17.475 -12.593 -2.337 1.00 0.00 C ATOM 1269 O ILE A 78 -16.873 -11.540 -2.278 1.00 0.00 O ATOM 1270 CB ILE A 78 -19.727 -11.524 -2.555 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -21.226 -11.591 -2.159 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -19.596 -11.696 -4.088 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -21.841 -10.178 -2.176 1.00 0.00 C ATOM 0 H ILE A 78 -18.711 -11.456 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 78 -19.358 -13.644 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 78 -19.316 -10.561 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -21.764 -12.239 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -21.329 -12.029 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -20.139 -10.896 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -18.544 -11.654 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -20.012 -12.659 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -22.893 -10.236 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -21.312 -9.542 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -21.754 -9.755 -3.177 1.00 0.00 H new ATOM 1285 N PRO A 79 -16.893 -13.719 -2.811 1.00 0.00 N ATOM 1286 CA PRO A 79 -15.501 -13.687 -3.267 1.00 0.00 C ATOM 1287 C PRO A 79 -15.328 -12.673 -4.422 1.00 0.00 C ATOM 1288 O PRO A 79 -16.300 -12.163 -4.945 1.00 0.00 O ATOM 1289 CB PRO A 79 -15.196 -15.143 -3.751 1.00 0.00 C ATOM 1290 CG PRO A 79 -16.476 -16.003 -3.469 1.00 0.00 C ATOM 1291 CD PRO A 79 -17.562 -15.037 -2.920 1.00 0.00 C ATOM 0 HA PRO A 79 -14.819 -13.372 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.953 -15.152 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.334 -15.551 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.820 -16.492 -4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.260 -16.790 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -18.420 -14.988 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.933 -15.371 -1.951 1.00 0.00 H new ATOM 1299 N PRO A 80 -14.078 -12.396 -4.798 1.00 0.00 N ATOM 1300 CA PRO A 80 -13.809 -11.452 -5.876 1.00 0.00 C ATOM 1301 C PRO A 80 -14.343 -11.976 -7.210 1.00 0.00 C ATOM 1302 O PRO A 80 -15.154 -12.880 -7.257 1.00 0.00 O ATOM 1303 CB PRO A 80 -12.249 -11.326 -5.926 1.00 0.00 C ATOM 1304 CG PRO A 80 -11.674 -12.370 -4.913 1.00 0.00 C ATOM 1305 CD PRO A 80 -12.884 -12.993 -4.170 1.00 0.00 C ATOM 0 HA PRO A 80 -14.297 -10.493 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.878 -11.520 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.935 -10.317 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.103 -13.139 -5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.994 -11.890 -4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.889 -14.079 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.848 -12.770 -3.104 1.00 0.00 H new ATOM 1313 N LYS A 81 -13.865 -11.390 -8.264 1.00 0.00 N ATOM 1314 CA LYS A 81 -14.307 -11.811 -9.604 1.00 0.00 C ATOM 1315 C LYS A 81 -13.639 -13.128 -10.005 1.00 0.00 C ATOM 1316 O LYS A 81 -12.685 -13.144 -10.759 1.00 0.00 O ATOM 1317 CB LYS A 81 -13.912 -10.702 -10.606 1.00 0.00 C ATOM 1318 CG LYS A 81 -14.525 -11.007 -11.975 1.00 0.00 C ATOM 1319 CD LYS A 81 -14.419 -9.759 -12.858 1.00 0.00 C ATOM 1320 CE LYS A 81 -15.004 -10.062 -14.240 1.00 0.00 C ATOM 1321 NZ LYS A 81 -14.863 -8.877 -15.136 1.00 0.00 N ATOM 0 H LYS A 81 -13.182 -10.632 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.386 -11.966 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.260 -9.733 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.827 -10.641 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.006 -11.844 -12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.568 -11.302 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.955 -8.928 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.377 -9.454 -12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.493 -10.920 -14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.056 -10.331 -14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.264 -9.098 -16.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.370 -8.068 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.856 -8.638 -15.240 1.00 0.00 H new ATOM 1335 N GLY A 82 -14.156 -14.212 -9.484 1.00 0.00 N ATOM 1336 CA GLY A 82 -13.569 -15.543 -9.820 1.00 0.00 C ATOM 1337 C GLY A 82 -14.061 -16.008 -11.190 1.00 0.00 C ATOM 1338 O GLY A 82 -13.534 -16.945 -11.758 1.00 0.00 O ATOM 0 H GLY A 82 -14.952 -14.233 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.481 -15.479 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.846 -16.273 -9.059 1.00 0.00 H new ATOM 1342 N GLU A 83 -15.067 -15.345 -11.693 1.00 0.00 N ATOM 1343 CA GLU A 83 -15.605 -15.732 -13.020 1.00 0.00 C ATOM 1344 C GLU A 83 -14.678 -15.270 -14.137 1.00 0.00 C ATOM 1345 O GLU A 83 -15.106 -15.373 -15.274 1.00 0.00 O ATOM 1346 CB GLU A 83 -16.975 -15.056 -13.203 1.00 0.00 C ATOM 1347 CG GLU A 83 -17.928 -15.528 -12.093 1.00 0.00 C ATOM 1348 CD GLU A 83 -19.104 -14.555 -11.986 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -18.855 -13.455 -11.522 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -20.185 -14.968 -12.371 1.00 0.00 O ATOM 1351 OXT GLU A 83 -13.589 -14.840 -13.791 1.00 0.00 O ATOM 0 H GLU A 83 -15.534 -14.558 -11.243 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.692 -16.818 -13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.866 -13.972 -13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.387 -15.303 -14.181 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.291 -16.532 -12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.398 -15.582 -11.142 1.00 0.00 H new TER 1358 GLU A 83