USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0836 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 1.1 USER MOD Single : A 8 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 10 MET CE :methyl 177:sc= -7.08! (180deg=-7.32!) USER MOD Single : A 12 LYS NZ :NH3+ -165:sc=-0.00355 (180deg=-0.101) USER MOD Single : A 14 HIS : no HD1:sc= -2.8 X(o=-2.8,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.2) USER MOD Single : A 22 TYR OH : rot -144:sc= 1.22 USER MOD Single : A 25 THR OG1 : rot -137:sc= -0.908 USER MOD Single : A 30 THR OG1 : rot 60:sc= 1.39 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -116:sc= -3.15! (180deg=-4.76!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0835 X(o=-0.083,f=-0.083) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0138 (180deg=-0.163) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.433 -4.796 -12.790 1.00 0.00 N ATOM 2 CA GLY A 1 30.303 -5.480 -12.189 1.00 0.00 C ATOM 3 C GLY A 1 29.073 -4.599 -12.102 1.00 0.00 C ATOM 4 O GLY A 1 29.039 -3.509 -12.673 1.00 0.00 O ATOM 0 H1 GLY A 1 31.773 -5.340 -13.609 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.139 -3.848 -13.102 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.198 -4.709 -12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.068 -6.370 -12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.576 -5.817 -11.189 1.00 0.00 H new ATOM 8 N SER A 2 28.057 -5.073 -11.387 1.00 0.00 N ATOM 9 CA SER A 2 26.816 -4.323 -11.232 1.00 0.00 C ATOM 10 C SER A 2 26.184 -4.594 -9.870 1.00 0.00 C ATOM 11 O SER A 2 26.384 -5.656 -9.281 1.00 0.00 O ATOM 12 CB SER A 2 25.832 -4.690 -12.345 1.00 0.00 C ATOM 13 OG SER A 2 26.438 -4.571 -13.621 1.00 0.00 O ATOM 0 H SER A 2 28.069 -5.973 -10.906 1.00 0.00 H new ATOM 0 HA SER A 2 27.051 -3.261 -11.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.479 -5.711 -12.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.959 -4.040 -12.292 1.00 0.00 H new ATOM 0 HG SER A 2 25.789 -4.812 -14.315 1.00 0.00 H new ATOM 19 N SER A 3 25.420 -3.625 -9.376 1.00 0.00 N ATOM 20 CA SER A 3 24.761 -3.756 -8.082 1.00 0.00 C ATOM 21 C SER A 3 23.481 -4.577 -8.204 1.00 0.00 C ATOM 22 O SER A 3 22.750 -4.465 -9.188 1.00 0.00 O ATOM 23 CB SER A 3 24.442 -2.375 -7.506 1.00 0.00 C ATOM 24 OG SER A 3 24.161 -2.452 -6.120 1.00 0.00 O ATOM 0 H SER A 3 25.242 -2.741 -9.852 1.00 0.00 H new ATOM 0 HA SER A 3 25.441 -4.275 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.285 -1.705 -7.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.587 -1.948 -8.030 1.00 0.00 H new ATOM 0 HG SER A 3 23.962 -1.556 -5.776 1.00 0.00 H new ATOM 30 N GLY A 4 23.216 -5.403 -7.197 1.00 0.00 N ATOM 31 CA GLY A 4 22.025 -6.231 -7.210 1.00 0.00 C ATOM 32 C GLY A 4 20.998 -5.786 -6.188 1.00 0.00 C ATOM 33 O GLY A 4 21.331 -5.102 -5.220 1.00 0.00 O ATOM 0 H GLY A 4 23.805 -5.513 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.579 -6.205 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.304 -7.266 -7.013 1.00 0.00 H new ATOM 37 N SER A 5 19.745 -6.173 -6.402 1.00 0.00 N ATOM 38 CA SER A 5 18.664 -5.805 -5.495 1.00 0.00 C ATOM 39 C SER A 5 17.806 -7.019 -5.152 1.00 0.00 C ATOM 40 O SER A 5 16.578 -6.932 -5.110 1.00 0.00 O ATOM 41 CB SER A 5 17.796 -4.711 -6.119 1.00 0.00 C ATOM 42 OG SER A 5 17.153 -3.939 -5.120 1.00 0.00 O ATOM 0 H SER A 5 19.453 -6.742 -7.197 1.00 0.00 H new ATOM 0 HA SER A 5 19.108 -5.425 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.413 -4.064 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.049 -5.163 -6.771 1.00 0.00 H new ATOM 0 HG SER A 5 16.606 -3.246 -5.544 1.00 0.00 H new ATOM 48 N SER A 6 18.460 -8.149 -4.907 1.00 0.00 N ATOM 49 CA SER A 6 17.758 -9.382 -4.572 1.00 0.00 C ATOM 50 C SER A 6 17.166 -9.306 -3.168 1.00 0.00 C ATOM 51 O SER A 6 17.882 -9.418 -2.173 1.00 0.00 O ATOM 52 CB SER A 6 18.707 -10.578 -4.673 1.00 0.00 C ATOM 53 OG SER A 6 19.710 -10.519 -3.675 1.00 0.00 O ATOM 0 H SER A 6 19.476 -8.236 -4.934 1.00 0.00 H new ATOM 0 HA SER A 6 16.944 -9.512 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.142 -11.504 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.171 -10.595 -5.659 1.00 0.00 H new ATOM 0 HG SER A 6 19.407 -9.945 -2.940 1.00 0.00 H new ATOM 59 N GLY A 7 15.853 -9.113 -3.095 1.00 0.00 N ATOM 60 CA GLY A 7 15.186 -9.024 -1.810 1.00 0.00 C ATOM 61 C GLY A 7 14.072 -7.996 -1.804 1.00 0.00 C ATOM 62 O GLY A 7 14.059 -7.079 -2.626 1.00 0.00 O ATOM 0 H GLY A 7 15.239 -9.017 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.777 -10.000 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.916 -8.768 -1.042 1.00 0.00 H new ATOM 66 N HIS A 8 13.133 -8.148 -0.876 1.00 0.00 N ATOM 67 CA HIS A 8 12.008 -7.226 -0.767 1.00 0.00 C ATOM 68 C HIS A 8 12.497 -5.797 -0.550 1.00 0.00 C ATOM 69 O HIS A 8 13.481 -5.550 0.148 1.00 0.00 O ATOM 70 CB HIS A 8 11.088 -7.642 0.381 1.00 0.00 C ATOM 71 CG HIS A 8 10.046 -8.641 -0.019 1.00 0.00 C ATOM 72 ND1 HIS A 8 8.865 -8.813 0.671 1.00 0.00 N ATOM 73 CD2 HIS A 8 10.012 -9.521 -1.046 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.150 -9.758 0.087 1.00 0.00 C ATOM 75 NE2 HIS A 8 8.824 -10.204 -0.958 1.00 0.00 N ATOM 0 H HIS A 8 13.129 -8.901 -0.188 1.00 0.00 H new ATOM 0 HA HIS A 8 11.448 -7.263 -1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.692 -8.061 1.186 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.595 -6.756 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.777 -9.660 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.180 -10.107 0.409 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.513 -10.937 -1.596 1.00 0.00 H new ATOM 83 N PRO A 9 11.796 -4.831 -1.163 1.00 0.00 N ATOM 84 CA PRO A 9 12.140 -3.411 -1.052 1.00 0.00 C ATOM 85 C PRO A 9 11.871 -2.856 0.343 1.00 0.00 C ATOM 86 O PRO A 9 11.029 -3.375 1.075 1.00 0.00 O ATOM 87 CB PRO A 9 11.224 -2.742 -2.079 1.00 0.00 C ATOM 88 CG PRO A 9 10.063 -3.667 -2.210 1.00 0.00 C ATOM 89 CD PRO A 9 10.613 -5.052 -2.011 1.00 0.00 C ATOM 0 HA PRO A 9 13.201 -3.234 -1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.908 -1.754 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.732 -2.606 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.298 -3.441 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.595 -3.570 -3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.888 -5.706 -1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.880 -5.518 -2.959 1.00 0.00 H new ATOM 97 N MET A 10 12.592 -1.800 0.704 1.00 0.00 N ATOM 98 CA MET A 10 12.429 -1.174 2.011 1.00 0.00 C ATOM 99 C MET A 10 11.724 0.173 1.885 1.00 0.00 C ATOM 100 O MET A 10 11.802 0.831 0.847 1.00 0.00 O ATOM 101 CB MET A 10 13.790 -0.990 2.686 1.00 0.00 C ATOM 102 CG MET A 10 14.582 -2.281 2.817 1.00 0.00 C ATOM 103 SD MET A 10 15.706 -2.265 4.228 1.00 0.00 S ATOM 104 CE MET A 10 14.566 -2.580 5.573 1.00 0.00 C ATOM 0 H MET A 10 13.295 -1.360 0.110 1.00 0.00 H new ATOM 0 HA MET A 10 11.813 -1.830 2.626 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.376 -0.270 2.114 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.640 -0.563 3.678 1.00 0.00 H new ATOM 0 HG2 MET A 10 13.891 -3.118 2.917 1.00 0.00 H new ATOM 0 HG3 MET A 10 15.154 -2.447 1.904 1.00 0.00 H new ATOM 0 HE1 MET A 10 15.119 -2.653 6.509 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.847 -1.764 5.639 1.00 0.00 H new ATOM 0 HE3 MET A 10 14.037 -3.516 5.390 1.00 0.00 H new ATOM 114 N CYS A 11 11.036 0.577 2.948 1.00 0.00 N ATOM 115 CA CYS A 11 10.317 1.845 2.956 1.00 0.00 C ATOM 116 C CYS A 11 11.280 3.018 2.796 1.00 0.00 C ATOM 117 O CYS A 11 12.058 3.324 3.699 1.00 0.00 O ATOM 118 CB CYS A 11 9.523 1.996 4.256 1.00 0.00 C ATOM 119 SG CYS A 11 8.271 3.318 4.212 1.00 0.00 S ATOM 0 H CYS A 11 10.961 0.044 3.815 1.00 0.00 H new ATOM 0 HA CYS A 11 9.626 1.848 2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.030 1.050 4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.217 2.195 5.072 1.00 0.00 H new ATOM 124 N LYS A 12 11.221 3.670 1.640 1.00 0.00 N ATOM 125 CA LYS A 12 12.085 4.811 1.360 1.00 0.00 C ATOM 126 C LYS A 12 11.979 5.858 2.463 1.00 0.00 C ATOM 127 O LYS A 12 12.987 6.289 3.022 1.00 0.00 O ATOM 128 CB LYS A 12 11.719 5.435 0.011 1.00 0.00 C ATOM 129 CG LYS A 12 11.964 4.516 -1.172 1.00 0.00 C ATOM 130 CD LYS A 12 11.749 5.236 -2.492 1.00 0.00 C ATOM 131 CE LYS A 12 12.531 4.580 -3.620 1.00 0.00 C ATOM 132 NZ LYS A 12 13.989 4.866 -3.522 1.00 0.00 N ATOM 0 H LYS A 12 10.584 3.428 0.881 1.00 0.00 H new ATOM 0 HA LYS A 12 13.114 4.455 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.667 5.721 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.296 6.350 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.982 4.130 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.295 3.658 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.687 5.238 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.055 6.277 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.370 3.502 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.154 4.937 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.451 4.628 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.132 5.875 -3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.404 4.295 -2.758 1.00 0.00 H new ATOM 146 N GLU A 13 10.751 6.263 2.772 1.00 0.00 N ATOM 147 CA GLU A 13 10.514 7.260 3.810 1.00 0.00 C ATOM 148 C GLU A 13 11.392 6.994 5.030 1.00 0.00 C ATOM 149 O GLU A 13 12.017 7.908 5.569 1.00 0.00 O ATOM 150 CB GLU A 13 9.040 7.263 4.219 1.00 0.00 C ATOM 151 CG GLU A 13 8.610 8.531 4.937 1.00 0.00 C ATOM 152 CD GLU A 13 8.859 8.468 6.432 1.00 0.00 C ATOM 153 OE1 GLU A 13 9.756 7.708 6.853 1.00 0.00 O ATOM 154 OE2 GLU A 13 8.156 9.180 7.180 1.00 0.00 O ATOM 0 H GLU A 13 9.905 5.916 2.319 1.00 0.00 H new ATOM 0 HA GLU A 13 10.772 8.238 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.424 7.133 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.849 6.407 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.148 9.381 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.549 8.705 4.756 1.00 0.00 H new ATOM 161 N HIS A 14 11.432 5.737 5.460 1.00 0.00 N ATOM 162 CA HIS A 14 12.233 5.350 6.616 1.00 0.00 C ATOM 163 C HIS A 14 13.672 5.053 6.205 1.00 0.00 C ATOM 164 O HIS A 14 13.994 5.021 5.018 1.00 0.00 O ATOM 165 CB HIS A 14 11.622 4.127 7.299 1.00 0.00 C ATOM 166 CG HIS A 14 10.390 4.437 8.094 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.340 5.178 7.595 1.00 0.00 N ATOM 168 CD2 HIS A 14 10.044 4.099 9.358 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.402 5.285 8.519 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.805 4.639 9.599 1.00 0.00 N ATOM 0 H HIS A 14 10.920 4.969 5.026 1.00 0.00 H new ATOM 0 HA HIS A 14 12.240 6.183 7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.378 3.382 6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.366 3.679 7.958 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.633 3.514 10.048 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.465 5.811 8.410 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.281 4.555 10.470 1.00 0.00 H new ATOM 178 N GLU A 15 14.532 4.836 7.196 1.00 0.00 N ATOM 179 CA GLU A 15 15.936 4.543 6.936 1.00 0.00 C ATOM 180 C GLU A 15 16.175 3.037 6.873 1.00 0.00 C ATOM 181 O GLU A 15 16.736 2.447 7.797 1.00 0.00 O ATOM 182 CB GLU A 15 16.819 5.165 8.020 1.00 0.00 C ATOM 183 CG GLU A 15 16.439 4.745 9.430 1.00 0.00 C ATOM 184 CD GLU A 15 17.629 4.714 10.369 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.589 3.967 10.087 1.00 0.00 O ATOM 186 OE2 GLU A 15 17.600 5.437 11.387 1.00 0.00 O ATOM 0 H GLU A 15 14.281 4.858 8.184 1.00 0.00 H new ATOM 0 HA GLU A 15 16.198 4.976 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.857 4.888 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.761 6.251 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.690 5.434 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.979 3.757 9.400 1.00 0.00 H new ATOM 193 N ASP A 16 15.746 2.421 5.777 1.00 0.00 N ATOM 194 CA ASP A 16 15.912 0.984 5.592 1.00 0.00 C ATOM 195 C ASP A 16 15.133 0.206 6.648 1.00 0.00 C ATOM 196 O ASP A 16 15.654 -0.731 7.251 1.00 0.00 O ATOM 197 CB ASP A 16 17.394 0.609 5.654 1.00 0.00 C ATOM 198 CG ASP A 16 18.115 0.882 4.349 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.516 0.646 3.280 1.00 0.00 O ATOM 200 OD2 ASP A 16 19.280 1.331 4.397 1.00 0.00 O ATOM 0 H ASP A 16 15.280 2.895 5.003 1.00 0.00 H new ATOM 0 HA ASP A 16 15.519 0.721 4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.875 1.170 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 16 17.488 -0.448 5.904 1.00 0.00 H new ATOM 205 N GLU A 17 13.883 0.603 6.866 1.00 0.00 N ATOM 206 CA GLU A 17 13.034 -0.056 7.851 1.00 0.00 C ATOM 207 C GLU A 17 12.209 -1.164 7.202 1.00 0.00 C ATOM 208 O GLU A 17 11.456 -0.922 6.258 1.00 0.00 O ATOM 209 CB GLU A 17 12.107 0.961 8.520 1.00 0.00 C ATOM 210 CG GLU A 17 11.078 0.330 9.444 1.00 0.00 C ATOM 211 CD GLU A 17 11.681 -0.142 10.752 1.00 0.00 C ATOM 212 OE1 GLU A 17 12.373 0.662 11.411 1.00 0.00 O ATOM 213 OE2 GLU A 17 11.462 -1.316 11.117 1.00 0.00 O ATOM 0 H GLU A 17 13.436 1.377 6.374 1.00 0.00 H new ATOM 0 HA GLU A 17 13.678 -0.502 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.709 1.669 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.589 1.531 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.290 1.053 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.610 -0.515 8.938 1.00 0.00 H new ATOM 220 N LYS A 18 12.355 -2.381 7.715 1.00 0.00 N ATOM 221 CA LYS A 18 11.625 -3.527 7.189 1.00 0.00 C ATOM 222 C LYS A 18 10.149 -3.191 7.001 1.00 0.00 C ATOM 223 O LYS A 18 9.507 -2.646 7.899 1.00 0.00 O ATOM 224 CB LYS A 18 11.770 -4.726 8.129 1.00 0.00 C ATOM 225 CG LYS A 18 13.111 -5.429 8.014 1.00 0.00 C ATOM 226 CD LYS A 18 13.102 -6.473 6.910 1.00 0.00 C ATOM 227 CE LYS A 18 14.497 -6.702 6.348 1.00 0.00 C ATOM 228 NZ LYS A 18 14.591 -7.991 5.608 1.00 0.00 N ATOM 0 H LYS A 18 12.974 -2.599 8.496 1.00 0.00 H new ATOM 0 HA LYS A 18 12.049 -3.782 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.632 -4.390 9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.975 -5.441 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.892 -4.695 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.356 -5.905 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.707 -7.411 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.434 -6.153 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.760 -5.880 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.222 -6.697 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.556 -8.111 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.365 -8.777 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.917 -7.986 4.816 1.00 0.00 H new ATOM 242 N ILE A 19 9.616 -3.522 5.829 1.00 0.00 N ATOM 243 CA ILE A 19 8.215 -3.257 5.525 1.00 0.00 C ATOM 244 C ILE A 19 7.294 -4.012 6.478 1.00 0.00 C ATOM 245 O ILE A 19 7.494 -5.197 6.742 1.00 0.00 O ATOM 246 CB ILE A 19 7.870 -3.650 4.076 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.736 -2.862 3.091 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.393 -3.410 3.801 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.543 -1.364 3.181 1.00 0.00 C ATOM 0 H ILE A 19 10.133 -3.974 5.075 1.00 0.00 H new ATOM 0 HA ILE A 19 8.062 -2.185 5.648 1.00 0.00 H new ATOM 0 HB ILE A 19 8.077 -4.712 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.785 -3.097 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.508 -3.189 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.164 -3.692 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.793 -4.011 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.162 -2.355 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.188 -0.870 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.503 -1.118 2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.799 -1.024 4.184 1.00 0.00 H new ATOM 261 N ASN A 20 6.283 -3.318 6.989 1.00 0.00 N ATOM 262 CA ASN A 20 5.329 -3.922 7.912 1.00 0.00 C ATOM 263 C ASN A 20 4.004 -4.210 7.213 1.00 0.00 C ATOM 264 O ASN A 20 3.467 -5.315 7.308 1.00 0.00 O ATOM 265 CB ASN A 20 5.097 -3.003 9.112 1.00 0.00 C ATOM 266 CG ASN A 20 4.471 -3.733 10.286 1.00 0.00 C ATOM 267 OD1 ASN A 20 4.042 -4.880 10.161 1.00 0.00 O ATOM 268 ND2 ASN A 20 4.417 -3.068 11.434 1.00 0.00 N ATOM 0 H ASN A 20 6.103 -2.336 6.780 1.00 0.00 H new ATOM 0 HA ASN A 20 5.747 -4.866 8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.047 -2.568 9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.451 -2.177 8.814 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.007 -3.507 12.259 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.785 -2.118 11.491 1.00 0.00 H new ATOM 275 N ILE A 21 3.482 -3.210 6.511 1.00 0.00 N ATOM 276 CA ILE A 21 2.221 -3.356 5.795 1.00 0.00 C ATOM 277 C ILE A 21 2.377 -2.985 4.324 1.00 0.00 C ATOM 278 O ILE A 21 3.438 -2.526 3.899 1.00 0.00 O ATOM 279 CB ILE A 21 1.115 -2.483 6.418 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.521 -1.008 6.387 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.829 -2.929 7.844 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.416 -0.068 6.814 1.00 0.00 C ATOM 0 H ILE A 21 3.913 -2.290 6.423 1.00 0.00 H new ATOM 0 HA ILE A 21 1.933 -4.404 5.874 1.00 0.00 H new ATOM 0 HB ILE A 21 0.204 -2.602 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.382 -0.863 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.838 -0.748 5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.046 -2.303 8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.502 -3.969 7.841 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.735 -2.836 8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.775 0.960 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.439 -0.185 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.114 -0.301 7.835 1.00 0.00 H new ATOM 294 N TYR A 22 1.315 -3.185 3.553 1.00 0.00 N ATOM 295 CA TYR A 22 1.334 -2.872 2.129 1.00 0.00 C ATOM 296 C TYR A 22 0.207 -1.908 1.768 1.00 0.00 C ATOM 297 O TYR A 22 -0.920 -2.047 2.243 1.00 0.00 O ATOM 298 CB TYR A 22 1.209 -4.153 1.302 1.00 0.00 C ATOM 299 CG TYR A 22 0.897 -3.904 -0.156 1.00 0.00 C ATOM 300 CD1 TYR A 22 1.916 -3.740 -1.086 1.00 0.00 C ATOM 301 CD2 TYR A 22 -0.417 -3.835 -0.604 1.00 0.00 C ATOM 302 CE1 TYR A 22 1.635 -3.512 -2.420 1.00 0.00 C ATOM 303 CE2 TYR A 22 -0.706 -3.608 -1.935 1.00 0.00 C ATOM 304 CZ TYR A 22 0.323 -3.447 -2.839 1.00 0.00 C ATOM 305 OH TYR A 22 0.039 -3.221 -4.167 1.00 0.00 O ATOM 0 H TYR A 22 0.429 -3.563 3.890 1.00 0.00 H new ATOM 0 HA TYR A 22 2.286 -2.392 1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.140 -4.715 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.425 -4.778 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.945 -3.792 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.226 -3.961 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.439 -3.385 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.733 -3.557 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.767 -2.669 -4.240 1.00 0.00 H new ATOM 315 N CYS A 23 0.521 -0.932 0.924 1.00 0.00 N ATOM 316 CA CYS A 23 -0.462 0.056 0.497 1.00 0.00 C ATOM 317 C CYS A 23 -1.166 -0.393 -0.780 1.00 0.00 C ATOM 318 O CYS A 23 -0.570 -1.057 -1.630 1.00 0.00 O ATOM 319 CB CYS A 23 0.211 1.412 0.271 1.00 0.00 C ATOM 320 SG CYS A 23 -0.950 2.813 0.183 1.00 0.00 S ATOM 0 H CYS A 23 1.449 -0.804 0.522 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.207 0.154 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.921 1.592 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.785 1.371 -0.655 1.00 0.00 H new ATOM 325 N LEU A 24 -2.436 -0.027 -0.909 1.00 0.00 N ATOM 326 CA LEU A 24 -3.223 -0.392 -2.082 1.00 0.00 C ATOM 327 C LEU A 24 -3.375 0.796 -3.027 1.00 0.00 C ATOM 328 O LEU A 24 -2.935 0.751 -4.176 1.00 0.00 O ATOM 329 CB LEU A 24 -4.601 -0.901 -1.659 1.00 0.00 C ATOM 330 CG LEU A 24 -4.638 -2.295 -1.030 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.363 -2.560 -0.244 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.859 -2.444 -0.135 1.00 0.00 C ATOM 0 H LEU A 24 -2.943 0.523 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.696 -1.187 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.026 -0.192 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.250 -0.902 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.707 -3.032 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.407 -3.556 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.504 -2.496 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.263 -1.818 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.869 -3.442 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.821 -1.699 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.763 -2.299 -0.726 1.00 0.00 H new ATOM 344 N THR A 25 -4.000 1.861 -2.534 1.00 0.00 N ATOM 345 CA THR A 25 -4.210 3.062 -3.332 1.00 0.00 C ATOM 346 C THR A 25 -3.055 3.286 -4.302 1.00 0.00 C ATOM 347 O THR A 25 -3.211 3.135 -5.514 1.00 0.00 O ATOM 348 CB THR A 25 -4.367 4.309 -2.442 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.560 4.203 -1.656 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.420 5.573 -3.285 1.00 0.00 C ATOM 0 H THR A 25 -4.370 1.916 -1.585 1.00 0.00 H new ATOM 0 HA THR A 25 -5.131 2.910 -3.895 1.00 0.00 H new ATOM 0 HB THR A 25 -3.501 4.368 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.027 5.065 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.531 6.440 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.498 5.666 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.269 5.520 -3.967 1.00 0.00 H new ATOM 358 N CYS A 26 -1.896 3.647 -3.761 1.00 0.00 N ATOM 359 CA CYS A 26 -0.714 3.892 -4.578 1.00 0.00 C ATOM 360 C CYS A 26 -0.074 2.577 -5.017 1.00 0.00 C ATOM 361 O CYS A 26 0.722 2.546 -5.955 1.00 0.00 O ATOM 362 CB CYS A 26 0.302 4.732 -3.803 1.00 0.00 C ATOM 363 SG CYS A 26 0.772 4.029 -2.189 1.00 0.00 S ATOM 0 H CYS A 26 -1.751 3.776 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.025 4.440 -5.468 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.199 4.850 -4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.110 5.729 -3.647 1.00 0.00 H new ATOM 368 N GLU A 27 -0.430 1.495 -4.332 1.00 0.00 N ATOM 369 CA GLU A 27 0.110 0.178 -4.651 1.00 0.00 C ATOM 370 C GLU A 27 1.604 0.114 -4.346 1.00 0.00 C ATOM 371 O GLU A 27 2.409 -0.251 -5.202 1.00 0.00 O ATOM 372 CB GLU A 27 -0.135 -0.154 -6.125 1.00 0.00 C ATOM 373 CG GLU A 27 -1.590 -0.029 -6.543 1.00 0.00 C ATOM 374 CD GLU A 27 -2.445 -1.172 -6.030 1.00 0.00 C ATOM 375 OE1 GLU A 27 -2.103 -1.738 -4.970 1.00 0.00 O ATOM 376 OE2 GLU A 27 -3.455 -1.500 -6.687 1.00 0.00 O ATOM 0 H GLU A 27 -1.089 1.504 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.402 -0.557 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.470 0.509 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.205 -1.171 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.991 0.914 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.650 0.005 -7.631 1.00 0.00 H new ATOM 383 N VAL A 28 1.967 0.474 -3.119 1.00 0.00 N ATOM 384 CA VAL A 28 3.363 0.457 -2.699 1.00 0.00 C ATOM 385 C VAL A 28 3.508 -0.116 -1.293 1.00 0.00 C ATOM 386 O VAL A 28 2.856 0.325 -0.346 1.00 0.00 O ATOM 387 CB VAL A 28 3.976 1.870 -2.731 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.633 2.571 -4.036 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.499 2.684 -1.537 1.00 0.00 C ATOM 0 H VAL A 28 1.314 0.781 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 28 3.897 -0.179 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 28 5.060 1.779 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.074 3.568 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.028 1.995 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.550 2.653 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.942 3.679 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.413 2.769 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.801 2.188 -0.615 1.00 0.00 H new ATOM 399 N PRO A 29 4.383 -1.123 -1.152 1.00 0.00 N ATOM 400 CA PRO A 29 4.635 -1.778 0.135 1.00 0.00 C ATOM 401 C PRO A 29 5.372 -0.870 1.113 1.00 0.00 C ATOM 402 O PRO A 29 6.599 -0.906 1.207 1.00 0.00 O ATOM 403 CB PRO A 29 5.507 -2.978 -0.242 1.00 0.00 C ATOM 404 CG PRO A 29 6.176 -2.575 -1.511 1.00 0.00 C ATOM 405 CD PRO A 29 5.194 -1.699 -2.237 1.00 0.00 C ATOM 0 HA PRO A 29 3.709 -2.049 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.236 -3.198 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.906 -3.877 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.103 -2.038 -1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.436 -3.448 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.698 -0.925 -2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.583 -2.272 -2.934 1.00 0.00 H new ATOM 413 N THR A 30 4.615 -0.055 1.842 1.00 0.00 N ATOM 414 CA THR A 30 5.197 0.864 2.813 1.00 0.00 C ATOM 415 C THR A 30 4.766 0.510 4.232 1.00 0.00 C ATOM 416 O THR A 30 3.745 -0.148 4.435 1.00 0.00 O ATOM 417 CB THR A 30 4.799 2.322 2.516 1.00 0.00 C ATOM 418 OG1 THR A 30 5.396 3.198 3.478 1.00 0.00 O ATOM 419 CG2 THR A 30 3.287 2.486 2.542 1.00 0.00 C ATOM 0 H THR A 30 3.598 -0.013 1.778 1.00 0.00 H new ATOM 0 HA THR A 30 6.280 0.767 2.730 1.00 0.00 H new ATOM 0 HB THR A 30 5.159 2.578 1.520 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.372 3.116 3.434 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.030 3.524 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.838 1.839 1.788 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.908 2.213 3.527 1.00 0.00 H new ATOM 427 N CYS A 31 5.549 0.950 5.210 1.00 0.00 N ATOM 428 CA CYS A 31 5.248 0.681 6.611 1.00 0.00 C ATOM 429 C CYS A 31 3.911 1.300 7.009 1.00 0.00 C ATOM 430 O CYS A 31 3.212 1.880 6.179 1.00 0.00 O ATOM 431 CB CYS A 31 6.362 1.225 7.508 1.00 0.00 C ATOM 432 SG CYS A 31 6.336 3.035 7.709 1.00 0.00 S ATOM 0 H CYS A 31 6.398 1.495 5.058 1.00 0.00 H new ATOM 0 HA CYS A 31 5.181 -0.399 6.741 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.283 0.760 8.491 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.325 0.930 7.092 1.00 0.00 H new ATOM 437 N SER A 32 3.563 1.171 8.286 1.00 0.00 N ATOM 438 CA SER A 32 2.309 1.715 8.794 1.00 0.00 C ATOM 439 C SER A 32 2.511 3.122 9.347 1.00 0.00 C ATOM 440 O SER A 32 1.618 3.965 9.270 1.00 0.00 O ATOM 441 CB SER A 32 1.738 0.804 9.883 1.00 0.00 C ATOM 442 OG SER A 32 0.464 1.256 10.310 1.00 0.00 O ATOM 0 H SER A 32 4.131 0.695 8.987 1.00 0.00 H new ATOM 0 HA SER A 32 1.602 1.767 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.658 -0.215 9.504 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.421 0.775 10.732 1.00 0.00 H new ATOM 0 HG SER A 32 0.120 0.656 11.005 1.00 0.00 H new ATOM 448 N MET A 33 3.692 3.368 9.905 1.00 0.00 N ATOM 449 CA MET A 33 4.013 4.673 10.471 1.00 0.00 C ATOM 450 C MET A 33 3.800 5.778 9.441 1.00 0.00 C ATOM 451 O MET A 33 3.418 6.897 9.786 1.00 0.00 O ATOM 452 CB MET A 33 5.459 4.695 10.969 1.00 0.00 C ATOM 453 CG MET A 33 5.614 4.225 12.406 1.00 0.00 C ATOM 454 SD MET A 33 4.468 2.899 12.831 1.00 0.00 S ATOM 455 CE MET A 33 5.093 1.570 11.806 1.00 0.00 C ATOM 0 H MET A 33 4.442 2.681 9.977 1.00 0.00 H new ATOM 0 HA MET A 33 3.344 4.851 11.313 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.067 4.064 10.321 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.849 5.709 10.883 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.636 3.881 12.563 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.454 5.067 13.079 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.338 1.292 11.071 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.996 1.901 11.292 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.326 0.708 12.431 1.00 0.00 H new ATOM 465 N CYS A 34 4.051 5.459 8.176 1.00 0.00 N ATOM 466 CA CYS A 34 3.888 6.424 7.096 1.00 0.00 C ATOM 467 C CYS A 34 2.413 6.611 6.751 1.00 0.00 C ATOM 468 O CYS A 34 2.015 7.647 6.219 1.00 0.00 O ATOM 469 CB CYS A 34 4.660 5.969 5.856 1.00 0.00 C ATOM 470 SG CYS A 34 6.463 6.197 5.977 1.00 0.00 S ATOM 0 H CYS A 34 4.369 4.538 7.873 1.00 0.00 H new ATOM 0 HA CYS A 34 4.288 7.380 7.434 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.449 4.915 5.677 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.292 6.519 4.990 1.00 0.00 H new ATOM 475 N LYS A 35 1.607 5.600 7.057 1.00 0.00 N ATOM 476 CA LYS A 35 0.176 5.651 6.782 1.00 0.00 C ATOM 477 C LYS A 35 -0.569 6.361 7.908 1.00 0.00 C ATOM 478 O LYS A 35 -1.492 7.138 7.662 1.00 0.00 O ATOM 479 CB LYS A 35 -0.380 4.237 6.599 1.00 0.00 C ATOM 480 CG LYS A 35 -1.892 4.191 6.462 1.00 0.00 C ATOM 481 CD LYS A 35 -2.569 4.003 7.809 1.00 0.00 C ATOM 482 CE LYS A 35 -4.065 3.781 7.655 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.795 5.058 7.421 1.00 0.00 N ATOM 0 H LYS A 35 1.921 4.734 7.496 1.00 0.00 H new ATOM 0 HA LYS A 35 0.028 6.214 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.070 3.790 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.082 3.625 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.245 5.114 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.173 3.376 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.125 3.152 8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.393 4.880 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.247 3.101 6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.455 3.299 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.812 4.863 7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.642 5.698 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.441 5.506 6.551 1.00 0.00 H new ATOM 497 N VAL A 36 -0.163 6.089 9.144 1.00 0.00 N ATOM 498 CA VAL A 36 -0.791 6.703 10.308 1.00 0.00 C ATOM 499 C VAL A 36 -0.038 7.956 10.741 1.00 0.00 C ATOM 500 O VAL A 36 -0.608 8.851 11.365 1.00 0.00 O ATOM 501 CB VAL A 36 -0.857 5.722 11.493 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.753 4.539 11.158 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.538 5.253 11.875 1.00 0.00 C ATOM 0 H VAL A 36 0.598 5.447 9.365 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.805 6.975 10.014 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.287 6.242 12.349 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.787 3.857 12.007 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.759 4.896 10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.355 4.016 10.288 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.472 4.560 12.714 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.998 4.750 11.025 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.145 6.112 12.160 1.00 0.00 H new ATOM 513 N PHE A 37 1.246 8.014 10.406 1.00 0.00 N ATOM 514 CA PHE A 37 2.079 9.157 10.760 1.00 0.00 C ATOM 515 C PHE A 37 2.863 9.655 9.550 1.00 0.00 C ATOM 516 O PHE A 37 4.046 9.979 9.653 1.00 0.00 O ATOM 517 CB PHE A 37 3.042 8.783 11.888 1.00 0.00 C ATOM 518 CG PHE A 37 2.442 7.857 12.907 1.00 0.00 C ATOM 519 CD1 PHE A 37 1.311 8.226 13.617 1.00 0.00 C ATOM 520 CD2 PHE A 37 3.009 6.617 13.154 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.758 7.376 14.556 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.459 5.762 14.090 1.00 0.00 C ATOM 523 CZ PHE A 37 1.332 6.142 14.792 1.00 0.00 C ATOM 0 H PHE A 37 1.733 7.282 9.889 1.00 0.00 H new ATOM 0 HA PHE A 37 1.425 9.959 11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.927 8.313 11.459 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.375 9.693 12.387 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.856 9.189 13.435 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.891 6.315 12.609 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.122 7.676 15.105 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.910 4.798 14.272 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.900 5.476 15.524 1.00 0.00 H new ATOM 533 N GLY A 38 2.195 9.713 8.402 1.00 0.00 N ATOM 534 CA GLY A 38 2.845 10.171 7.188 1.00 0.00 C ATOM 535 C GLY A 38 1.865 10.761 6.193 1.00 0.00 C ATOM 536 O GLY A 38 0.747 11.126 6.555 1.00 0.00 O ATOM 0 H GLY A 38 1.215 9.451 8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.596 10.920 7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.371 9.337 6.724 1.00 0.00 H new ATOM 540 N ILE A 39 2.285 10.855 4.936 1.00 0.00 N ATOM 541 CA ILE A 39 1.437 11.405 3.886 1.00 0.00 C ATOM 542 C ILE A 39 0.474 10.352 3.349 1.00 0.00 C ATOM 543 O ILE A 39 -0.508 10.675 2.680 1.00 0.00 O ATOM 544 CB ILE A 39 2.273 11.962 2.720 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.125 10.853 2.099 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.153 13.107 3.198 1.00 0.00 C ATOM 547 CD1 ILE A 39 2.434 10.122 0.968 1.00 0.00 C ATOM 0 H ILE A 39 3.208 10.557 4.620 1.00 0.00 H new ATOM 0 HA ILE A 39 0.868 12.219 4.335 1.00 0.00 H new ATOM 0 HB ILE A 39 1.595 12.344 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.054 11.285 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.394 10.135 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.738 13.490 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.527 13.904 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.826 12.748 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.096 9.350 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.518 9.661 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.189 10.828 0.174 1.00 0.00 H new ATOM 559 N HIS A 40 0.761 9.088 3.648 1.00 0.00 N ATOM 560 CA HIS A 40 -0.081 7.986 3.197 1.00 0.00 C ATOM 561 C HIS A 40 -1.364 7.910 4.020 1.00 0.00 C ATOM 562 O HIS A 40 -1.690 6.867 4.587 1.00 0.00 O ATOM 563 CB HIS A 40 0.679 6.663 3.294 1.00 0.00 C ATOM 564 CG HIS A 40 1.741 6.505 2.249 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.541 5.816 1.072 1.00 0.00 N ATOM 566 CD2 HIS A 40 3.017 6.953 2.209 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.649 5.845 0.353 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.561 6.530 1.021 1.00 0.00 N ATOM 0 H HIS A 40 1.570 8.802 4.200 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.348 8.168 2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.137 6.588 4.280 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.029 5.839 3.208 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.515 7.535 2.970 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.786 5.387 -0.615 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.513 6.714 0.706 1.00 0.00 H new ATOM 576 N LYS A 41 -2.088 9.023 4.081 1.00 0.00 N ATOM 577 CA LYS A 41 -3.336 9.083 4.834 1.00 0.00 C ATOM 578 C LYS A 41 -4.527 8.755 3.939 1.00 0.00 C ATOM 579 O LYS A 41 -5.434 8.027 4.341 1.00 0.00 O ATOM 580 CB LYS A 41 -3.516 10.472 5.451 1.00 0.00 C ATOM 581 CG LYS A 41 -2.361 10.895 6.343 1.00 0.00 C ATOM 582 CD LYS A 41 -2.806 11.899 7.393 1.00 0.00 C ATOM 583 CE LYS A 41 -1.620 12.619 8.014 1.00 0.00 C ATOM 584 NZ LYS A 41 -1.994 13.968 8.524 1.00 0.00 N ATOM 0 H LYS A 41 -1.832 9.895 3.618 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.287 8.341 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.633 11.203 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.438 10.485 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.938 10.018 6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.570 11.331 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.478 12.627 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.370 11.386 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.219 12.020 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.827 12.718 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.158 14.426 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.353 14.549 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.733 13.872 9.250 1.00 0.00 H new ATOM 598 N ALA A 42 -4.517 9.296 2.725 1.00 0.00 N ATOM 599 CA ALA A 42 -5.595 9.057 1.774 1.00 0.00 C ATOM 600 C ALA A 42 -5.386 7.745 1.026 1.00 0.00 C ATOM 601 O ALA A 42 -5.739 7.624 -0.148 1.00 0.00 O ATOM 602 CB ALA A 42 -5.698 10.215 0.792 1.00 0.00 C ATOM 0 H ALA A 42 -3.774 9.903 2.377 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.529 8.983 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.507 10.024 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.902 11.137 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.759 10.315 0.248 1.00 0.00 H new ATOM 608 N CYS A 43 -4.810 6.763 1.712 1.00 0.00 N ATOM 609 CA CYS A 43 -4.553 5.459 1.113 1.00 0.00 C ATOM 610 C CYS A 43 -5.240 4.351 1.905 1.00 0.00 C ATOM 611 O CYS A 43 -5.809 4.597 2.968 1.00 0.00 O ATOM 612 CB CYS A 43 -3.047 5.194 1.045 1.00 0.00 C ATOM 613 SG CYS A 43 -2.202 6.053 -0.321 1.00 0.00 S ATOM 0 H CYS A 43 -4.512 6.846 2.684 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.961 5.465 0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.592 5.498 1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.882 4.121 0.943 1.00 0.00 H new ATOM 618 N GLU A 44 -5.183 3.132 1.379 1.00 0.00 N ATOM 619 CA GLU A 44 -5.801 1.987 2.037 1.00 0.00 C ATOM 620 C GLU A 44 -4.814 0.828 2.153 1.00 0.00 C ATOM 621 O GLU A 44 -4.519 0.149 1.169 1.00 0.00 O ATOM 622 CB GLU A 44 -7.044 1.537 1.268 1.00 0.00 C ATOM 623 CG GLU A 44 -7.958 2.683 0.866 1.00 0.00 C ATOM 624 CD GLU A 44 -8.120 3.714 1.966 1.00 0.00 C ATOM 625 OE1 GLU A 44 -8.308 3.310 3.133 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.058 4.923 1.661 1.00 0.00 O ATOM 0 H GLU A 44 -4.715 2.912 0.500 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.095 2.293 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.732 1.000 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.606 0.833 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.557 3.167 -0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.937 2.285 0.599 1.00 0.00 H new ATOM 633 N VAL A 45 -4.307 0.609 3.362 1.00 0.00 N ATOM 634 CA VAL A 45 -3.354 -0.467 3.607 1.00 0.00 C ATOM 635 C VAL A 45 -4.067 -1.747 4.029 1.00 0.00 C ATOM 636 O VAL A 45 -5.152 -1.703 4.609 1.00 0.00 O ATOM 637 CB VAL A 45 -2.335 -0.078 4.695 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.458 1.070 4.218 1.00 0.00 C ATOM 639 CG2 VAL A 45 -3.050 0.287 5.987 1.00 0.00 C ATOM 0 H VAL A 45 -4.540 1.162 4.187 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.825 -0.641 2.670 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.693 -0.936 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.744 1.332 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.919 0.767 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.082 1.935 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.315 0.559 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.717 1.131 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.631 -0.567 6.335 1.00 0.00 H new ATOM 649 N ALA A 46 -3.449 -2.886 3.735 1.00 0.00 N ATOM 650 CA ALA A 46 -4.024 -4.179 4.086 1.00 0.00 C ATOM 651 C ALA A 46 -3.043 -5.011 4.905 1.00 0.00 C ATOM 652 O ALA A 46 -1.855 -4.701 4.998 1.00 0.00 O ATOM 653 CB ALA A 46 -4.437 -4.932 2.830 1.00 0.00 C ATOM 0 H ALA A 46 -2.551 -2.940 3.255 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.909 -4.002 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.865 -5.895 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.179 -4.349 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.564 -5.091 2.198 1.00 0.00 H new ATOM 659 N PRO A 47 -3.549 -6.094 5.514 1.00 0.00 N ATOM 660 CA PRO A 47 -2.733 -6.993 6.336 1.00 0.00 C ATOM 661 C PRO A 47 -1.744 -7.802 5.504 1.00 0.00 C ATOM 662 O PRO A 47 -2.041 -8.921 5.083 1.00 0.00 O ATOM 663 CB PRO A 47 -3.768 -7.917 6.985 1.00 0.00 C ATOM 664 CG PRO A 47 -4.928 -7.901 6.050 1.00 0.00 C ATOM 665 CD PRO A 47 -4.955 -6.524 5.446 1.00 0.00 C ATOM 0 HA PRO A 47 -2.120 -6.446 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.375 -8.926 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.052 -7.560 7.975 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.818 -8.663 5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.858 -8.114 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.320 -6.543 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.608 -5.853 6.004 1.00 0.00 H new ATOM 673 N LEU A 48 -0.568 -7.231 5.271 1.00 0.00 N ATOM 674 CA LEU A 48 0.466 -7.900 4.489 1.00 0.00 C ATOM 675 C LEU A 48 0.436 -9.407 4.723 1.00 0.00 C ATOM 676 O LEU A 48 0.500 -10.192 3.778 1.00 0.00 O ATOM 677 CB LEU A 48 1.845 -7.344 4.848 1.00 0.00 C ATOM 678 CG LEU A 48 2.962 -7.614 3.839 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.685 -6.892 2.530 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.308 -7.192 4.409 1.00 0.00 C ATOM 0 H LEU A 48 -0.306 -6.306 5.612 1.00 0.00 H new ATOM 0 HA LEU A 48 0.268 -7.711 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.756 -6.266 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.143 -7.761 5.810 1.00 0.00 H new ATOM 0 HG LEU A 48 2.994 -8.685 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.490 -7.096 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.741 -7.243 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.625 -5.819 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.091 -7.391 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.288 -6.127 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.510 -7.755 5.320 1.00 0.00 H new ATOM 692 N GLN A 49 0.338 -9.802 5.988 1.00 0.00 N ATOM 693 CA GLN A 49 0.298 -11.215 6.346 1.00 0.00 C ATOM 694 C GLN A 49 -0.882 -11.913 5.677 1.00 0.00 C ATOM 695 O GLN A 49 -2.004 -11.878 6.181 1.00 0.00 O ATOM 696 CB GLN A 49 0.207 -11.377 7.864 1.00 0.00 C ATOM 697 CG GLN A 49 1.560 -11.410 8.555 1.00 0.00 C ATOM 698 CD GLN A 49 1.458 -11.781 10.021 1.00 0.00 C ATOM 699 OE1 GLN A 49 1.853 -12.876 10.425 1.00 0.00 O ATOM 700 NE2 GLN A 49 0.928 -10.870 10.827 1.00 0.00 N ATOM 0 H GLN A 49 0.285 -9.164 6.782 1.00 0.00 H new ATOM 0 HA GLN A 49 1.219 -11.679 5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.381 -10.556 8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.330 -12.298 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.206 -12.126 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.034 -10.433 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.614 -9.976 10.450 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.835 -11.064 11.824 1.00 0.00 H new ATOM 709 N SER A 50 -0.620 -12.546 4.538 1.00 0.00 N ATOM 710 CA SER A 50 -1.661 -13.249 3.797 1.00 0.00 C ATOM 711 C SER A 50 -2.740 -12.279 3.323 1.00 0.00 C ATOM 712 O SER A 50 -3.924 -12.463 3.605 1.00 0.00 O ATOM 713 CB SER A 50 -2.288 -14.340 4.667 1.00 0.00 C ATOM 714 OG SER A 50 -2.864 -15.360 3.869 1.00 0.00 O ATOM 0 H SER A 50 0.304 -12.587 4.108 1.00 0.00 H new ATOM 0 HA SER A 50 -1.201 -13.710 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.529 -14.770 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.051 -13.903 5.311 1.00 0.00 H new ATOM 0 HG SER A 50 -3.257 -16.046 4.448 1.00 0.00 H new ATOM 720 N VAL A 51 -2.320 -11.244 2.602 1.00 0.00 N ATOM 721 CA VAL A 51 -3.249 -10.245 2.087 1.00 0.00 C ATOM 722 C VAL A 51 -4.377 -10.898 1.297 1.00 0.00 C ATOM 723 O VAL A 51 -4.231 -11.188 0.109 1.00 0.00 O ATOM 724 CB VAL A 51 -2.531 -9.223 1.186 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.513 -8.183 0.670 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.387 -8.560 1.939 1.00 0.00 C ATOM 0 H VAL A 51 -1.343 -11.076 2.362 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.667 -9.727 2.950 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.114 -9.751 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.987 -7.470 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.295 -8.676 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.962 -7.657 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.891 -7.841 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.779 -8.045 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.671 -9.319 2.254 1.00 0.00 H new ATOM 736 N PHE A 52 -5.503 -11.128 1.964 1.00 0.00 N ATOM 737 CA PHE A 52 -6.658 -11.748 1.324 1.00 0.00 C ATOM 738 C PHE A 52 -7.938 -10.987 1.657 1.00 0.00 C ATOM 739 O PHE A 52 -8.581 -10.418 0.775 1.00 0.00 O ATOM 740 CB PHE A 52 -6.790 -13.207 1.765 1.00 0.00 C ATOM 741 CG PHE A 52 -6.085 -14.173 0.857 1.00 0.00 C ATOM 742 CD1 PHE A 52 -4.757 -14.504 1.071 1.00 0.00 C ATOM 743 CD2 PHE A 52 -6.752 -14.751 -0.212 1.00 0.00 C ATOM 744 CE1 PHE A 52 -4.106 -15.393 0.236 1.00 0.00 C ATOM 745 CE2 PHE A 52 -6.106 -15.641 -1.049 1.00 0.00 C ATOM 746 CZ PHE A 52 -4.781 -15.962 -0.826 1.00 0.00 C ATOM 0 H PHE A 52 -5.641 -10.895 2.947 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.506 -11.714 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.390 -13.311 2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.847 -13.470 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.224 -14.062 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.788 -14.503 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.070 -15.642 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.637 -16.086 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.274 -16.656 -1.480 1.00 0.00 H new ATOM 756 N GLN A 53 -8.301 -10.982 2.936 1.00 0.00 N ATOM 757 CA GLN A 53 -9.504 -10.292 3.385 1.00 0.00 C ATOM 758 C GLN A 53 -9.199 -9.378 4.567 1.00 0.00 C ATOM 759 O GLN A 53 -8.285 -9.640 5.347 1.00 0.00 O ATOM 760 CB GLN A 53 -10.583 -11.305 3.775 1.00 0.00 C ATOM 761 CG GLN A 53 -11.992 -10.737 3.740 1.00 0.00 C ATOM 762 CD GLN A 53 -12.478 -10.465 2.330 1.00 0.00 C ATOM 763 OE1 GLN A 53 -12.692 -11.391 1.546 1.00 0.00 O ATOM 764 NE2 GLN A 53 -12.654 -9.192 1.999 1.00 0.00 N ATOM 0 H GLN A 53 -7.779 -11.448 3.679 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.870 -9.680 2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.528 -12.160 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.375 -11.677 4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.673 -11.435 4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.021 -9.811 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.464 -8.457 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.979 -8.949 1.063 1.00 0.00 H new ATOM 773 N GLY A 54 -9.971 -8.302 4.692 1.00 0.00 N ATOM 774 CA GLY A 54 -9.766 -7.365 5.781 1.00 0.00 C ATOM 775 C GLY A 54 -10.675 -6.156 5.684 1.00 0.00 C ATOM 776 O GLY A 54 -11.195 -5.847 4.612 1.00 0.00 O ATOM 0 H GLY A 54 -10.734 -8.063 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.941 -7.872 6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.727 -7.035 5.782 1.00 0.00 H new ATOM 780 N GLN A 55 -10.870 -5.472 6.807 1.00 0.00 N ATOM 781 CA GLN A 55 -11.725 -4.292 6.844 1.00 0.00 C ATOM 782 C GLN A 55 -10.908 -3.021 6.640 1.00 0.00 C ATOM 783 O GLN A 55 -9.709 -2.989 6.918 1.00 0.00 O ATOM 784 CB GLN A 55 -12.477 -4.222 8.174 1.00 0.00 C ATOM 785 CG GLN A 55 -13.523 -3.121 8.225 1.00 0.00 C ATOM 786 CD GLN A 55 -14.165 -2.988 9.592 1.00 0.00 C ATOM 787 OE1 GLN A 55 -14.115 -1.926 10.213 1.00 0.00 O ATOM 788 NE2 GLN A 55 -14.773 -4.068 10.068 1.00 0.00 N ATOM 0 H GLN A 55 -10.447 -5.715 7.703 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.447 -4.372 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.962 -5.181 8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.759 -4.067 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.060 -2.173 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.295 -3.324 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.790 -4.927 9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.223 -4.038 10.983 1.00 0.00 H new ATOM 797 N LYS A 56 -11.564 -1.973 6.154 1.00 0.00 N ATOM 798 CA LYS A 56 -10.900 -0.697 5.913 1.00 0.00 C ATOM 799 C LYS A 56 -10.327 -0.130 7.208 1.00 0.00 C ATOM 800 O LYS A 56 -11.005 -0.090 8.235 1.00 0.00 O ATOM 801 CB LYS A 56 -11.880 0.303 5.296 1.00 0.00 C ATOM 802 CG LYS A 56 -13.106 0.563 6.154 1.00 0.00 C ATOM 803 CD LYS A 56 -14.258 -0.350 5.771 1.00 0.00 C ATOM 804 CE LYS A 56 -15.603 0.299 6.060 1.00 0.00 C ATOM 805 NZ LYS A 56 -15.906 1.399 5.103 1.00 0.00 N ATOM 0 H LYS A 56 -12.556 -1.982 5.919 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.079 -0.868 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.362 1.246 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.200 -0.069 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.855 0.413 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.413 1.603 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.192 -0.596 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.179 -1.287 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.389 -0.455 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.606 0.691 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.924 1.609 5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.371 2.249 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.635 1.108 4.142 1.00 0.00 H new ATOM 819 N THR A 57 -9.073 0.309 7.152 1.00 0.00 N ATOM 820 CA THR A 57 -8.409 0.874 8.320 1.00 0.00 C ATOM 821 C THR A 57 -8.684 2.369 8.439 1.00 0.00 C ATOM 822 O THR A 57 -8.041 3.182 7.776 1.00 0.00 O ATOM 823 CB THR A 57 -6.886 0.647 8.265 1.00 0.00 C ATOM 824 OG1 THR A 57 -6.606 -0.736 8.022 1.00 0.00 O ATOM 825 CG2 THR A 57 -6.227 1.083 9.565 1.00 0.00 C ATOM 0 H THR A 57 -8.497 0.284 6.310 1.00 0.00 H new ATOM 0 HA THR A 57 -8.814 0.362 9.193 1.00 0.00 H new ATOM 0 HB THR A 57 -6.480 1.248 7.451 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.636 -0.872 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.152 0.913 9.503 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.418 2.143 9.732 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.638 0.505 10.393 1.00 0.00 H new ATOM 833 N GLU A 58 -9.643 2.723 9.289 1.00 0.00 N ATOM 834 CA GLU A 58 -10.002 4.121 9.495 1.00 0.00 C ATOM 835 C GLU A 58 -9.584 4.592 10.885 1.00 0.00 C ATOM 836 O GLU A 58 -10.303 4.389 11.863 1.00 0.00 O ATOM 837 CB GLU A 58 -11.509 4.316 9.310 1.00 0.00 C ATOM 838 CG GLU A 58 -11.917 5.769 9.132 1.00 0.00 C ATOM 839 CD GLU A 58 -13.208 5.920 8.351 1.00 0.00 C ATOM 840 OE1 GLU A 58 -14.285 5.667 8.932 1.00 0.00 O ATOM 841 OE2 GLU A 58 -13.143 6.291 7.161 1.00 0.00 O ATOM 0 H GLU A 58 -10.185 2.062 9.845 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.471 4.718 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.837 3.746 8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.029 3.905 10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.033 6.233 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.120 6.306 8.617 1.00 0.00 H new ATOM 848 N SER A 59 -8.417 5.222 10.963 1.00 0.00 N ATOM 849 CA SER A 59 -7.900 5.718 12.233 1.00 0.00 C ATOM 850 C SER A 59 -8.878 6.700 12.872 1.00 0.00 C ATOM 851 O SER A 59 -9.143 6.637 14.071 1.00 0.00 O ATOM 852 CB SER A 59 -6.543 6.395 12.027 1.00 0.00 C ATOM 853 OG SER A 59 -5.915 6.669 13.267 1.00 0.00 O ATOM 0 H SER A 59 -7.811 5.401 10.162 1.00 0.00 H new ATOM 0 HA SER A 59 -7.776 4.867 12.903 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.901 5.753 11.425 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.677 7.323 11.471 1.00 0.00 H new ATOM 0 HG SER A 59 -5.049 7.100 13.107 1.00 0.00 H new ATOM 859 N GLY A 60 -9.411 7.607 12.059 1.00 0.00 N ATOM 860 CA GLY A 60 -10.354 8.590 12.561 1.00 0.00 C ATOM 861 C GLY A 60 -11.023 9.373 11.449 1.00 0.00 C ATOM 862 O GLY A 60 -10.869 9.067 10.266 1.00 0.00 O ATOM 0 H GLY A 60 -9.207 7.679 11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.116 8.087 13.156 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.835 9.280 13.226 1.00 0.00 H new ATOM 866 N PRO A 61 -11.786 10.409 11.826 1.00 0.00 N ATOM 867 CA PRO A 61 -12.497 11.259 10.866 1.00 0.00 C ATOM 868 C PRO A 61 -11.548 12.130 10.049 1.00 0.00 C ATOM 869 O PRO A 61 -11.976 13.066 9.374 1.00 0.00 O ATOM 870 CB PRO A 61 -13.389 12.129 11.756 1.00 0.00 C ATOM 871 CG PRO A 61 -12.691 12.165 13.072 1.00 0.00 C ATOM 872 CD PRO A 61 -12.015 10.831 13.218 1.00 0.00 C ATOM 0 HA PRO A 61 -13.048 10.672 10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.505 13.131 11.342 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.389 11.705 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.964 12.977 13.106 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.398 12.335 13.884 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.080 10.913 13.772 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.642 10.120 13.755 1.00 0.00 H new ATOM 880 N SER A 62 -10.259 11.814 10.115 1.00 0.00 N ATOM 881 CA SER A 62 -9.249 12.570 9.383 1.00 0.00 C ATOM 882 C SER A 62 -9.587 12.632 7.897 1.00 0.00 C ATOM 883 O SER A 62 -9.611 13.707 7.298 1.00 0.00 O ATOM 884 CB SER A 62 -7.869 11.939 9.578 1.00 0.00 C ATOM 885 OG SER A 62 -7.594 11.729 10.953 1.00 0.00 O ATOM 0 H SER A 62 -9.889 11.040 10.667 1.00 0.00 H new ATOM 0 HA SER A 62 -9.235 13.586 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.821 10.989 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.105 12.586 9.146 1.00 0.00 H new ATOM 0 HG SER A 62 -6.707 11.323 11.051 1.00 0.00 H new ATOM 891 N SER A 63 -9.849 11.469 7.308 1.00 0.00 N ATOM 892 CA SER A 63 -10.182 11.389 5.890 1.00 0.00 C ATOM 893 C SER A 63 -11.366 12.292 5.559 1.00 0.00 C ATOM 894 O SER A 63 -12.435 12.178 6.158 1.00 0.00 O ATOM 895 CB SER A 63 -10.503 9.945 5.501 1.00 0.00 C ATOM 896 OG SER A 63 -9.317 9.196 5.296 1.00 0.00 O ATOM 0 H SER A 63 -9.837 10.570 7.790 1.00 0.00 H new ATOM 0 HA SER A 63 -9.318 11.728 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.101 9.478 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.105 9.935 4.592 1.00 0.00 H new ATOM 0 HG SER A 63 -9.549 8.276 5.050 1.00 0.00 H new ATOM 902 N GLY A 64 -11.167 13.190 4.599 1.00 0.00 N ATOM 903 CA GLY A 64 -12.226 14.100 4.204 1.00 0.00 C ATOM 904 C GLY A 64 -12.049 14.617 2.789 1.00 0.00 C ATOM 905 O GLY A 64 -11.105 15.363 2.539 1.00 0.00 O ATOM 0 H GLY A 64 -10.292 13.303 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.187 13.591 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.253 14.943 4.895 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.688 4.234 6.256 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.114 4.909 -0.285 1.00 0.00 ZN