USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 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 23 LYS NZ :NH3+ 176:sc= 0.35 (180deg=0.00728) USER MOD Set 1.2: A 41 MET CE :methyl -150:sc= -5.03! (180deg=-7.24!) USER MOD Set 1.3: A 49 SER OG : rot 180:sc= 0.309 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0889 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= -0.0967 (180deg=-0.861) USER MOD Single : A 10 GLN : amide:sc= 0.221 K(o=0.22,f=-4.9!) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.523 (180deg=-1.9!) USER MOD Single : A 13 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.0054) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 32 SER OG : rot -56:sc= 0.0778 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -62:sc= -0.232 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -0.0956 (180deg=-1.15) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0769 USER MOD Single : A 51 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.36) USER MOD Single : A 56 ASN : amide:sc= -0.215 K(o=-0.22,f=-3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 48:sc= 0.0267 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -54:sc= 0.204 USER MOD Single : A 72 SER OG : rot -94:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.320 0.842 12.691 1.00 0.00 N ATOM 2 CA GLY A 1 11.952 -0.561 12.667 1.00 0.00 C ATOM 3 C GLY A 1 10.764 -0.833 11.766 1.00 0.00 C ATOM 4 O GLY A 1 10.340 0.038 11.006 1.00 0.00 O ATOM 0 H1 GLY A 1 13.347 0.934 12.552 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.821 1.345 11.929 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.056 1.254 13.609 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.804 -1.151 12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.719 -0.890 13.680 1.00 0.00 H new ATOM 8 N SER A 2 10.226 -2.046 11.848 1.00 0.00 N ATOM 9 CA SER A 2 9.083 -2.432 11.029 1.00 0.00 C ATOM 10 C SER A 2 8.005 -3.097 11.879 1.00 0.00 C ATOM 11 O SER A 2 8.298 -3.947 12.719 1.00 0.00 O ATOM 12 CB SER A 2 9.526 -3.382 9.914 1.00 0.00 C ATOM 13 OG SER A 2 8.408 -3.922 9.230 1.00 0.00 O ATOM 0 H SER A 2 10.563 -2.778 12.473 1.00 0.00 H new ATOM 0 HA SER A 2 8.665 -1.529 10.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.164 -2.849 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.123 -4.190 10.336 1.00 0.00 H new ATOM 0 HG SER A 2 8.718 -4.524 8.522 1.00 0.00 H new ATOM 19 N SER A 3 6.756 -2.702 11.654 1.00 0.00 N ATOM 20 CA SER A 3 5.633 -3.255 12.402 1.00 0.00 C ATOM 21 C SER A 3 4.671 -3.990 11.473 1.00 0.00 C ATOM 22 O SER A 3 3.736 -3.399 10.935 1.00 0.00 O ATOM 23 CB SER A 3 4.891 -2.143 13.146 1.00 0.00 C ATOM 24 OG SER A 3 5.590 -1.760 14.318 1.00 0.00 O ATOM 0 H SER A 3 6.496 -2.001 10.960 1.00 0.00 H new ATOM 0 HA SER A 3 6.027 -3.967 13.127 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.772 -1.280 12.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.890 -2.483 13.411 1.00 0.00 H new ATOM 0 HG SER A 3 5.097 -1.047 14.775 1.00 0.00 H new ATOM 30 N GLY A 4 4.909 -5.286 11.290 1.00 0.00 N ATOM 31 CA GLY A 4 4.057 -6.082 10.426 1.00 0.00 C ATOM 32 C GLY A 4 2.885 -6.690 11.169 1.00 0.00 C ATOM 33 O GLY A 4 2.598 -6.313 12.305 1.00 0.00 O ATOM 0 H GLY A 4 5.676 -5.798 11.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.684 -5.458 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.647 -6.878 9.972 1.00 0.00 H new ATOM 37 N SER A 5 2.205 -7.634 10.527 1.00 0.00 N ATOM 38 CA SER A 5 1.053 -8.293 11.132 1.00 0.00 C ATOM 39 C SER A 5 1.046 -9.783 10.807 1.00 0.00 C ATOM 40 O SER A 5 1.915 -10.277 10.089 1.00 0.00 O ATOM 41 CB SER A 5 -0.245 -7.647 10.645 1.00 0.00 C ATOM 42 OG SER A 5 -1.281 -7.800 11.600 1.00 0.00 O ATOM 0 H SER A 5 2.432 -7.960 9.587 1.00 0.00 H new ATOM 0 HA SER A 5 1.125 -8.176 12.213 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.077 -6.587 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.547 -8.099 9.700 1.00 0.00 H new ATOM 0 HG SER A 5 -2.099 -7.377 11.266 1.00 0.00 H new ATOM 48 N SER A 6 0.059 -10.495 11.342 1.00 0.00 N ATOM 49 CA SER A 6 -0.060 -11.930 11.112 1.00 0.00 C ATOM 50 C SER A 6 -1.421 -12.273 10.513 1.00 0.00 C ATOM 51 O SER A 6 -2.453 -11.780 10.965 1.00 0.00 O ATOM 52 CB SER A 6 0.141 -12.696 12.421 1.00 0.00 C ATOM 53 OG SER A 6 0.460 -14.054 12.174 1.00 0.00 O ATOM 0 H SER A 6 -0.670 -10.101 11.938 1.00 0.00 H new ATOM 0 HA SER A 6 0.714 -12.225 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.940 -12.231 12.999 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.765 -12.636 13.024 1.00 0.00 H new ATOM 0 HG SER A 6 0.585 -14.521 13.026 1.00 0.00 H new ATOM 59 N GLY A 7 -1.413 -13.124 9.491 1.00 0.00 N ATOM 60 CA GLY A 7 -2.651 -13.519 8.845 1.00 0.00 C ATOM 61 C GLY A 7 -2.945 -12.700 7.605 1.00 0.00 C ATOM 62 O GLY A 7 -3.062 -11.476 7.672 1.00 0.00 O ATOM 0 H GLY A 7 -0.571 -13.547 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.596 -14.574 8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.475 -13.413 9.550 1.00 0.00 H new ATOM 66 N LYS A 8 -3.064 -13.375 6.466 1.00 0.00 N ATOM 67 CA LYS A 8 -3.346 -12.703 5.203 1.00 0.00 C ATOM 68 C LYS A 8 -4.837 -12.747 4.885 1.00 0.00 C ATOM 69 O LYS A 8 -5.307 -13.647 4.190 1.00 0.00 O ATOM 70 CB LYS A 8 -2.552 -13.353 4.068 1.00 0.00 C ATOM 71 CG LYS A 8 -1.180 -12.737 3.855 1.00 0.00 C ATOM 72 CD LYS A 8 -0.128 -13.405 4.724 1.00 0.00 C ATOM 73 CE LYS A 8 0.502 -14.597 4.019 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.247 -15.857 4.282 1.00 0.00 N ATOM 0 H LYS A 8 -2.969 -14.388 6.392 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.044 -11.660 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.435 -14.416 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.124 -13.274 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.898 -12.828 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.219 -11.672 4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.646 -12.682 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.582 -13.732 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.532 -14.410 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.534 -14.712 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.425 -16.628 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.866 -15.727 5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.825 -16.097 3.451 1.00 0.00 H new ATOM 88 N ARG A 9 -5.576 -11.767 5.397 1.00 0.00 N ATOM 89 CA ARG A 9 -7.014 -11.694 5.166 1.00 0.00 C ATOM 90 C ARG A 9 -7.334 -10.724 4.033 1.00 0.00 C ATOM 91 O ARG A 9 -6.658 -9.710 3.863 1.00 0.00 O ATOM 92 CB ARG A 9 -7.735 -11.259 6.443 1.00 0.00 C ATOM 93 CG ARG A 9 -9.172 -11.747 6.527 1.00 0.00 C ATOM 94 CD ARG A 9 -9.239 -13.220 6.898 1.00 0.00 C ATOM 95 NE ARG A 9 -8.804 -13.459 8.271 1.00 0.00 N ATOM 96 CZ ARG A 9 -9.496 -13.078 9.339 1.00 0.00 C ATOM 97 NH1 ARG A 9 -10.651 -12.443 9.192 1.00 0.00 N ATOM 98 NH2 ARG A 9 -9.034 -13.333 10.556 1.00 0.00 N ATOM 0 H ARG A 9 -5.203 -11.013 5.974 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.362 -12.687 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.183 -11.630 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.726 -10.171 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.714 -11.159 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.668 -11.589 5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.261 -13.579 6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.614 -13.795 6.215 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.920 -13.946 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.010 -12.246 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.181 -12.151 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.147 -13.822 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.566 -13.040 11.375 1.00 0.00 H new ATOM 112 N GLN A 10 -8.367 -11.045 3.261 1.00 0.00 N ATOM 113 CA GLN A 10 -8.776 -10.202 2.143 1.00 0.00 C ATOM 114 C GLN A 10 -10.257 -9.850 2.239 1.00 0.00 C ATOM 115 O GLN A 10 -11.027 -10.537 2.910 1.00 0.00 O ATOM 116 CB GLN A 10 -8.492 -10.907 0.816 1.00 0.00 C ATOM 117 CG GLN A 10 -9.368 -12.125 0.574 1.00 0.00 C ATOM 118 CD GLN A 10 -8.959 -13.315 1.420 1.00 0.00 C ATOM 119 OE1 GLN A 10 -9.296 -13.397 2.601 1.00 0.00 O ATOM 120 NE2 GLN A 10 -8.228 -14.246 0.818 1.00 0.00 N ATOM 0 H GLN A 10 -8.936 -11.882 3.389 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.199 -9.278 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.636 -10.199 -0.000 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.446 -11.212 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.406 -11.870 0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.319 -12.399 -0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.971 -14.137 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.923 -15.070 1.337 1.00 0.00 H new ATOM 129 N LYS A 11 -10.649 -8.775 1.564 1.00 0.00 N ATOM 130 CA LYS A 11 -12.038 -8.331 1.572 1.00 0.00 C ATOM 131 C LYS A 11 -12.612 -8.315 0.159 1.00 0.00 C ATOM 132 O LYS A 11 -11.900 -8.037 -0.807 1.00 0.00 O ATOM 133 CB LYS A 11 -12.146 -6.937 2.194 1.00 0.00 C ATOM 134 CG LYS A 11 -11.965 -6.928 3.702 1.00 0.00 C ATOM 135 CD LYS A 11 -12.188 -5.542 4.282 1.00 0.00 C ATOM 136 CE LYS A 11 -10.896 -4.739 4.318 1.00 0.00 C ATOM 137 NZ LYS A 11 -10.459 -4.332 2.954 1.00 0.00 N ATOM 0 H LYS A 11 -10.024 -8.195 1.004 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.615 -9.035 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.396 -6.288 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.121 -6.514 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.663 -7.631 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.960 -7.270 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.931 -5.012 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.592 -5.629 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.037 -3.851 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.112 -5.333 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.954 -3.425 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.826 -5.058 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.291 -4.229 2.339 1.00 0.00 H new ATOM 151 N ILE A 12 -13.902 -8.612 0.045 1.00 0.00 N ATOM 152 CA ILE A 12 -14.570 -8.628 -1.250 1.00 0.00 C ATOM 153 C ILE A 12 -15.360 -7.344 -1.477 1.00 0.00 C ATOM 154 O ILE A 12 -15.861 -7.096 -2.574 1.00 0.00 O ATOM 155 CB ILE A 12 -15.522 -9.832 -1.377 1.00 0.00 C ATOM 156 CG1 ILE A 12 -16.510 -9.855 -0.209 1.00 0.00 C ATOM 157 CG2 ILE A 12 -14.730 -11.130 -1.433 1.00 0.00 C ATOM 158 CD1 ILE A 12 -17.678 -10.791 -0.423 1.00 0.00 C ATOM 0 H ILE A 12 -14.505 -8.845 0.834 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.790 -8.710 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 12 -16.087 -9.733 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -15.981 -10.149 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -16.889 -8.846 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -15.417 -11.972 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.063 -11.112 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -14.142 -11.237 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -18.337 -10.755 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -18.231 -10.485 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -17.309 -11.808 -0.557 1.00 0.00 H new ATOM 170 N HIS A 13 -15.468 -6.529 -0.432 1.00 0.00 N ATOM 171 CA HIS A 13 -16.195 -5.268 -0.518 1.00 0.00 C ATOM 172 C HIS A 13 -15.330 -4.184 -1.154 1.00 0.00 C ATOM 173 O HIS A 13 -14.104 -4.294 -1.189 1.00 0.00 O ATOM 174 CB HIS A 13 -16.651 -4.822 0.872 1.00 0.00 C ATOM 175 CG HIS A 13 -17.214 -5.934 1.702 1.00 0.00 C ATOM 176 ND1 HIS A 13 -16.854 -6.149 3.016 1.00 0.00 N ATOM 177 CD2 HIS A 13 -18.119 -6.894 1.400 1.00 0.00 C ATOM 178 CE1 HIS A 13 -17.511 -7.195 3.485 1.00 0.00 C ATOM 179 NE2 HIS A 13 -18.286 -7.665 2.524 1.00 0.00 N ATOM 0 H HIS A 13 -15.061 -6.720 0.484 1.00 0.00 H new ATOM 0 HA HIS A 13 -17.071 -5.425 -1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -15.805 -4.379 1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -17.404 -4.042 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -18.617 -7.029 0.451 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.428 -7.597 4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.907 -8.470 2.604 1.00 0.00 H new ATOM 187 N LEU A 14 -15.976 -3.137 -1.657 1.00 0.00 N ATOM 188 CA LEU A 14 -15.266 -2.033 -2.293 1.00 0.00 C ATOM 189 C LEU A 14 -15.983 -0.710 -2.045 1.00 0.00 C ATOM 190 O LEU A 14 -17.060 -0.677 -1.451 1.00 0.00 O ATOM 191 CB LEU A 14 -15.137 -2.283 -3.797 1.00 0.00 C ATOM 192 CG LEU A 14 -16.450 -2.431 -4.567 1.00 0.00 C ATOM 193 CD1 LEU A 14 -16.237 -2.141 -6.045 1.00 0.00 C ATOM 194 CD2 LEU A 14 -17.028 -3.825 -4.373 1.00 0.00 C ATOM 0 H LEU A 14 -16.990 -3.030 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.270 -1.973 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.573 -1.460 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.548 -3.188 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.163 -1.706 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -17.182 -2.251 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.869 -1.122 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.508 -2.841 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.962 -3.912 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.318 -4.567 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -17.218 -3.996 -3.313 1.00 0.00 H new ATOM 206 N GLY A 15 -15.378 0.381 -2.507 1.00 0.00 N ATOM 207 CA GLY A 15 -15.975 1.692 -2.327 1.00 0.00 C ATOM 208 C GLY A 15 -16.292 2.370 -3.645 1.00 0.00 C ATOM 209 O GLY A 15 -16.255 1.737 -4.701 1.00 0.00 O ATOM 0 H GLY A 15 -14.486 0.380 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.890 1.594 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.296 2.321 -1.752 1.00 0.00 H new ATOM 213 N ASP A 16 -16.606 3.659 -3.585 1.00 0.00 N ATOM 214 CA ASP A 16 -16.932 4.424 -4.783 1.00 0.00 C ATOM 215 C ASP A 16 -15.708 5.176 -5.297 1.00 0.00 C ATOM 216 O ASP A 16 -15.638 5.538 -6.472 1.00 0.00 O ATOM 217 CB ASP A 16 -18.066 5.408 -4.493 1.00 0.00 C ATOM 218 CG ASP A 16 -17.781 6.280 -3.287 1.00 0.00 C ATOM 219 OD1 ASP A 16 -17.582 5.724 -2.186 1.00 0.00 O ATOM 220 OD2 ASP A 16 -17.758 7.519 -3.442 1.00 0.00 O ATOM 0 H ASP A 16 -16.642 4.197 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.257 3.725 -5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.226 6.041 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.990 4.854 -4.327 1.00 0.00 H new ATOM 225 N ARG A 17 -14.747 5.408 -4.410 1.00 0.00 N ATOM 226 CA ARG A 17 -13.527 6.120 -4.773 1.00 0.00 C ATOM 227 C ARG A 17 -12.294 5.267 -4.486 1.00 0.00 C ATOM 228 O ARG A 17 -11.497 5.588 -3.605 1.00 0.00 O ATOM 229 CB ARG A 17 -13.435 7.442 -4.009 1.00 0.00 C ATOM 230 CG ARG A 17 -13.877 7.339 -2.559 1.00 0.00 C ATOM 231 CD ARG A 17 -13.957 8.708 -1.902 1.00 0.00 C ATOM 232 NE ARG A 17 -12.715 9.462 -2.056 1.00 0.00 N ATOM 233 CZ ARG A 17 -12.440 10.570 -1.377 1.00 0.00 C ATOM 234 NH1 ARG A 17 -13.312 11.050 -0.502 1.00 0.00 N ATOM 235 NH2 ARG A 17 -11.288 11.200 -1.573 1.00 0.00 N ATOM 0 H ARG A 17 -14.789 5.113 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.563 6.329 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.406 7.800 -4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.048 8.188 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.851 6.852 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.178 6.710 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.781 9.273 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.180 8.589 -0.842 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.022 9.119 -2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.198 10.568 -0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.097 11.901 0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.614 10.833 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.077 12.051 -1.052 1.00 0.00 H new ATOM 249 N SER A 18 -12.145 4.180 -5.236 1.00 0.00 N ATOM 250 CA SER A 18 -11.013 3.279 -5.059 1.00 0.00 C ATOM 251 C SER A 18 -10.369 2.946 -6.402 1.00 0.00 C ATOM 252 O SER A 18 -11.001 2.349 -7.273 1.00 0.00 O ATOM 253 CB SER A 18 -11.461 1.992 -4.362 1.00 0.00 C ATOM 254 OG SER A 18 -12.138 2.278 -3.151 1.00 0.00 O ATOM 0 H SER A 18 -12.794 3.902 -5.972 1.00 0.00 H new ATOM 0 HA SER A 18 -10.274 3.782 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.116 1.425 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.594 1.364 -4.158 1.00 0.00 H new ATOM 0 HG SER A 18 -12.416 1.440 -2.726 1.00 0.00 H new ATOM 260 N GLN A 19 -9.108 3.335 -6.559 1.00 0.00 N ATOM 261 CA GLN A 19 -8.378 3.079 -7.795 1.00 0.00 C ATOM 262 C GLN A 19 -7.500 1.840 -7.662 1.00 0.00 C ATOM 263 O GLN A 19 -7.201 1.394 -6.554 1.00 0.00 O ATOM 264 CB GLN A 19 -7.521 4.290 -8.167 1.00 0.00 C ATOM 265 CG GLN A 19 -6.775 4.127 -9.481 1.00 0.00 C ATOM 266 CD GLN A 19 -6.467 5.454 -10.146 1.00 0.00 C ATOM 267 OE1 GLN A 19 -6.284 6.470 -9.474 1.00 0.00 O ATOM 268 NE2 GLN A 19 -6.408 5.453 -11.472 1.00 0.00 N ATOM 0 H GLN A 19 -8.571 3.828 -5.846 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.106 2.902 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.159 5.171 -8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.800 4.473 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.844 3.590 -9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.370 3.515 -10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.566 4.588 -11.989 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.204 6.317 -11.974 1.00 0.00 H new ATOM 277 N LYS A 20 -7.088 1.287 -8.798 1.00 0.00 N ATOM 278 CA LYS A 20 -6.242 0.099 -8.809 1.00 0.00 C ATOM 279 C LYS A 20 -4.834 0.439 -9.287 1.00 0.00 C ATOM 280 O LYS A 20 -4.603 0.631 -10.482 1.00 0.00 O ATOM 281 CB LYS A 20 -6.852 -0.978 -9.709 1.00 0.00 C ATOM 282 CG LYS A 20 -6.071 -2.280 -9.713 1.00 0.00 C ATOM 283 CD LYS A 20 -6.686 -3.296 -10.662 1.00 0.00 C ATOM 284 CE LYS A 20 -6.328 -4.719 -10.263 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.220 -5.234 -9.186 1.00 0.00 N ATOM 0 H LYS A 20 -7.326 1.643 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.179 -0.282 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.873 -1.177 -9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.912 -0.597 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.039 -2.086 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.044 -2.692 -8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.770 -3.180 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.339 -3.104 -11.677 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.398 -5.369 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.293 -4.752 -9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.944 -6.207 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.134 -4.628 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.205 -5.227 -9.518 1.00 0.00 H new ATOM 299 N CYS A 21 -3.896 0.510 -8.349 1.00 0.00 N ATOM 300 CA CYS A 21 -2.511 0.825 -8.674 1.00 0.00 C ATOM 301 C CYS A 21 -2.115 0.216 -10.016 1.00 0.00 C ATOM 302 O CYS A 21 -2.655 -0.811 -10.427 1.00 0.00 O ATOM 303 CB CYS A 21 -1.578 0.313 -7.574 1.00 0.00 C ATOM 304 SG CYS A 21 0.175 0.737 -7.830 1.00 0.00 S ATOM 0 H CYS A 21 -4.071 0.353 -7.356 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.418 1.909 -8.745 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.904 0.721 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.673 -0.771 -7.507 1.00 0.00 H new ATOM 309 N SER A 22 -1.168 0.857 -10.694 1.00 0.00 N ATOM 310 CA SER A 22 -0.702 0.381 -11.991 1.00 0.00 C ATOM 311 C SER A 22 0.577 -0.437 -11.842 1.00 0.00 C ATOM 312 O SER A 22 0.868 -1.311 -12.660 1.00 0.00 O ATOM 313 CB SER A 22 -0.459 1.561 -12.934 1.00 0.00 C ATOM 314 OG SER A 22 0.389 2.526 -12.335 1.00 0.00 O ATOM 0 H SER A 22 -0.709 1.707 -10.367 1.00 0.00 H new ATOM 0 HA SER A 22 -1.475 -0.260 -12.414 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.011 1.204 -13.861 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.411 2.022 -13.197 1.00 0.00 H new ATOM 0 HG SER A 22 0.530 3.269 -12.958 1.00 0.00 H new ATOM 320 N LYS A 23 1.338 -0.148 -10.792 1.00 0.00 N ATOM 321 CA LYS A 23 2.586 -0.856 -10.532 1.00 0.00 C ATOM 322 C LYS A 23 2.315 -2.245 -9.962 1.00 0.00 C ATOM 323 O LYS A 23 2.522 -3.255 -10.635 1.00 0.00 O ATOM 324 CB LYS A 23 3.458 -0.056 -9.562 1.00 0.00 C ATOM 325 CG LYS A 23 4.714 -0.790 -9.127 1.00 0.00 C ATOM 326 CD LYS A 23 5.724 0.157 -8.499 1.00 0.00 C ATOM 327 CE LYS A 23 6.878 -0.602 -7.862 1.00 0.00 C ATOM 328 NZ LYS A 23 7.457 0.137 -6.706 1.00 0.00 N ATOM 0 H LYS A 23 1.112 0.573 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 23 3.115 -0.968 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.742 0.885 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.869 0.194 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.452 -1.570 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.164 -1.285 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.109 0.836 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.230 0.770 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.530 -1.580 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.654 -0.776 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.195 -0.443 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.873 1.031 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.708 0.340 -6.013 1.00 0.00 H new ATOM 342 N CYS A 24 1.849 -2.288 -8.718 1.00 0.00 N ATOM 343 CA CYS A 24 1.549 -3.552 -8.057 1.00 0.00 C ATOM 344 C CYS A 24 0.192 -4.089 -8.502 1.00 0.00 C ATOM 345 O CYS A 24 0.057 -5.266 -8.834 1.00 0.00 O ATOM 346 CB CYS A 24 1.565 -3.373 -6.537 1.00 0.00 C ATOM 347 SG CYS A 24 0.268 -2.262 -5.905 1.00 0.00 S ATOM 0 H CYS A 24 1.671 -1.461 -8.148 1.00 0.00 H new ATOM 0 HA CYS A 24 2.316 -4.273 -8.340 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.453 -4.350 -6.066 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.539 -2.984 -6.238 1.00 0.00 H new ATOM 352 N GLY A 25 -0.812 -3.217 -8.506 1.00 0.00 N ATOM 353 CA GLY A 25 -2.145 -3.622 -8.912 1.00 0.00 C ATOM 354 C GLY A 25 -3.063 -3.863 -7.730 1.00 0.00 C ATOM 355 O GLY A 25 -3.917 -4.749 -7.770 1.00 0.00 O ATOM 0 H GLY A 25 -0.726 -2.237 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.576 -2.852 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.079 -4.532 -9.508 1.00 0.00 H new ATOM 359 N ILE A 26 -2.886 -3.075 -6.675 1.00 0.00 N ATOM 360 CA ILE A 26 -3.705 -3.208 -5.476 1.00 0.00 C ATOM 361 C ILE A 26 -4.800 -2.148 -5.438 1.00 0.00 C ATOM 362 O ILE A 26 -4.684 -1.099 -6.073 1.00 0.00 O ATOM 363 CB ILE A 26 -2.854 -3.097 -4.198 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.626 -3.643 -2.995 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.444 -1.652 -3.958 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.865 -3.544 -1.692 1.00 0.00 C ATOM 0 H ILE A 26 -2.183 -2.338 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.161 -4.197 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.951 -3.694 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.566 -3.099 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.879 -4.687 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.843 -1.590 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.860 -1.294 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.335 -1.035 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.473 -3.950 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.938 -4.112 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.635 -2.499 -1.484 1.00 0.00 H new ATOM 378 N ILE A 27 -5.861 -2.428 -4.689 1.00 0.00 N ATOM 379 CA ILE A 27 -6.976 -1.497 -4.566 1.00 0.00 C ATOM 380 C ILE A 27 -6.761 -0.532 -3.405 1.00 0.00 C ATOM 381 O ILE A 27 -6.379 -0.940 -2.308 1.00 0.00 O ATOM 382 CB ILE A 27 -8.310 -2.239 -4.362 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.514 -3.279 -5.466 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.467 -1.252 -4.336 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.647 -2.675 -6.847 1.00 0.00 C ATOM 0 H ILE A 27 -5.972 -3.292 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.022 -0.935 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.278 -2.756 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.673 -3.972 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.409 -3.861 -5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.403 -1.792 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.325 -0.546 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.504 -0.709 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.789 -3.470 -7.580 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.505 -2.003 -6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.743 -2.116 -7.088 1.00 0.00 H new ATOM 397 N PHE A 28 -7.010 0.749 -3.653 1.00 0.00 N ATOM 398 CA PHE A 28 -6.845 1.773 -2.628 1.00 0.00 C ATOM 399 C PHE A 28 -7.722 2.986 -2.924 1.00 0.00 C ATOM 400 O PHE A 28 -8.218 3.149 -4.039 1.00 0.00 O ATOM 401 CB PHE A 28 -5.378 2.200 -2.535 1.00 0.00 C ATOM 402 CG PHE A 28 -4.926 3.046 -3.691 1.00 0.00 C ATOM 403 CD1 PHE A 28 -5.145 4.414 -3.692 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.282 2.473 -4.775 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.731 5.195 -4.755 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.865 3.249 -5.841 1.00 0.00 C ATOM 407 CZ PHE A 28 -4.089 4.611 -5.830 1.00 0.00 C ATOM 0 H PHE A 28 -7.327 1.103 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.154 1.348 -1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.227 2.754 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.751 1.310 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.645 4.875 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.103 1.408 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.909 6.260 -4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.365 2.790 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.763 5.219 -6.661 1.00 0.00 H new ATOM 417 N ILE A 29 -7.908 3.833 -1.917 1.00 0.00 N ATOM 418 CA ILE A 29 -8.725 5.031 -2.069 1.00 0.00 C ATOM 419 C ILE A 29 -7.880 6.219 -2.517 1.00 0.00 C ATOM 420 O ILE A 29 -6.840 6.512 -1.927 1.00 0.00 O ATOM 421 CB ILE A 29 -9.443 5.393 -0.756 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.568 4.395 -0.473 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.991 6.811 -0.826 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.073 3.037 -0.028 1.00 0.00 C ATOM 0 H ILE A 29 -7.504 3.712 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.471 4.810 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.723 5.342 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.221 4.805 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.172 4.276 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.496 7.053 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.171 7.511 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.700 6.887 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.924 2.381 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.444 2.606 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.494 3.143 0.889 1.00 0.00 H new ATOM 436 N ARG A 30 -8.334 6.900 -3.564 1.00 0.00 N ATOM 437 CA ARG A 30 -7.620 8.057 -4.091 1.00 0.00 C ATOM 438 C ARG A 30 -8.471 9.319 -3.977 1.00 0.00 C ATOM 439 O ARG A 30 -9.648 9.256 -3.620 1.00 0.00 O ATOM 440 CB ARG A 30 -7.231 7.821 -5.551 1.00 0.00 C ATOM 441 CG ARG A 30 -8.418 7.566 -6.465 1.00 0.00 C ATOM 442 CD ARG A 30 -8.960 8.862 -7.048 1.00 0.00 C ATOM 443 NE ARG A 30 -8.209 9.287 -8.226 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.705 10.086 -9.165 1.00 0.00 C ATOM 445 NH1 ARG A 30 -9.946 10.542 -9.064 1.00 0.00 N ATOM 446 NH2 ARG A 30 -7.960 10.429 -10.208 1.00 0.00 N ATOM 0 H ARG A 30 -9.193 6.671 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.715 8.195 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.682 8.689 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.553 6.969 -5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.119 6.899 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.206 7.059 -5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.008 8.729 -7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.920 9.645 -6.291 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.252 8.952 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.522 10.280 -8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.324 11.155 -9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.005 10.079 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.342 11.042 -10.928 1.00 0.00 H new ATOM 460 N ARG A 31 -7.868 10.463 -4.284 1.00 0.00 N ATOM 461 CA ARG A 31 -8.569 11.739 -4.215 1.00 0.00 C ATOM 462 C ARG A 31 -9.430 11.954 -5.456 1.00 0.00 C ATOM 463 O ARG A 31 -8.916 12.068 -6.569 1.00 0.00 O ATOM 464 CB ARG A 31 -7.569 12.887 -4.070 1.00 0.00 C ATOM 465 CG ARG A 31 -7.182 13.180 -2.629 1.00 0.00 C ATOM 466 CD ARG A 31 -6.173 14.314 -2.543 1.00 0.00 C ATOM 467 NE ARG A 31 -6.822 15.617 -2.429 1.00 0.00 N ATOM 468 CZ ARG A 31 -6.249 16.758 -2.794 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.021 16.757 -3.294 1.00 0.00 N ATOM 470 NH2 ARG A 31 -6.905 17.904 -2.660 1.00 0.00 N ATOM 0 H ARG A 31 -6.895 10.532 -4.583 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.220 11.721 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.670 12.648 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.995 13.787 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.073 13.440 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.762 12.283 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.523 14.156 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.538 14.302 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.768 15.653 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.514 15.878 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.583 17.635 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.850 17.909 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.464 18.780 -2.941 1.00 0.00 H new ATOM 484 N SER A 32 -10.743 12.007 -5.257 1.00 0.00 N ATOM 485 CA SER A 32 -11.676 12.204 -6.360 1.00 0.00 C ATOM 486 C SER A 32 -11.999 13.684 -6.541 1.00 0.00 C ATOM 487 O SER A 32 -13.131 14.051 -6.859 1.00 0.00 O ATOM 488 CB SER A 32 -12.964 11.416 -6.113 1.00 0.00 C ATOM 489 OG SER A 32 -13.692 11.238 -7.316 1.00 0.00 O ATOM 0 H SER A 32 -11.185 11.916 -4.342 1.00 0.00 H new ATOM 0 HA SER A 32 -11.204 11.839 -7.272 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.722 10.444 -5.683 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.582 11.942 -5.385 1.00 0.00 H new ATOM 0 HG SER A 32 -13.878 12.112 -7.718 1.00 0.00 H new ATOM 495 N THR A 33 -10.995 14.531 -6.338 1.00 0.00 N ATOM 496 CA THR A 33 -11.170 15.971 -6.477 1.00 0.00 C ATOM 497 C THR A 33 -9.988 16.602 -7.203 1.00 0.00 C ATOM 498 O THR A 33 -8.832 16.367 -6.849 1.00 0.00 O ATOM 499 CB THR A 33 -11.338 16.652 -5.105 1.00 0.00 C ATOM 500 OG1 THR A 33 -11.996 15.764 -4.195 1.00 0.00 O ATOM 501 CG2 THR A 33 -12.139 17.939 -5.234 1.00 0.00 C ATOM 0 H THR A 33 -10.052 14.244 -6.077 1.00 0.00 H new ATOM 0 HA THR A 33 -12.076 16.123 -7.064 1.00 0.00 H new ATOM 0 HB THR A 33 -10.347 16.896 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.098 16.203 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.245 18.402 -4.253 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.621 18.624 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.126 17.714 -5.637 1.00 0.00 H new ATOM 509 N LEU A 34 -10.283 17.403 -8.220 1.00 0.00 N ATOM 510 CA LEU A 34 -9.243 18.069 -8.997 1.00 0.00 C ATOM 511 C LEU A 34 -8.041 17.151 -9.197 1.00 0.00 C ATOM 512 O LEU A 34 -6.897 17.555 -8.991 1.00 0.00 O ATOM 513 CB LEU A 34 -8.804 19.358 -8.299 1.00 0.00 C ATOM 514 CG LEU A 34 -8.930 19.372 -6.775 1.00 0.00 C ATOM 515 CD1 LEU A 34 -7.743 18.670 -6.135 1.00 0.00 C ATOM 516 CD2 LEU A 34 -9.047 20.801 -6.264 1.00 0.00 C ATOM 0 H LEU A 34 -11.234 17.608 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.656 18.315 -9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.764 19.552 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.392 20.183 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.836 18.833 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.850 18.690 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.704 17.636 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.822 19.180 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.136 20.793 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.159 21.364 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.930 21.271 -6.697 1.00 0.00 H new ATOM 528 N SER A 35 -8.309 15.914 -9.603 1.00 0.00 N ATOM 529 CA SER A 35 -7.250 14.938 -9.830 1.00 0.00 C ATOM 530 C SER A 35 -6.250 15.451 -10.861 1.00 0.00 C ATOM 531 O SER A 35 -6.622 15.807 -11.979 1.00 0.00 O ATOM 532 CB SER A 35 -7.845 13.608 -10.298 1.00 0.00 C ATOM 533 OG SER A 35 -8.721 13.070 -9.322 1.00 0.00 O ATOM 0 H SER A 35 -9.250 15.564 -9.781 1.00 0.00 H new ATOM 0 HA SER A 35 -6.726 14.782 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.385 13.756 -11.233 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.043 12.899 -10.502 1.00 0.00 H new ATOM 0 HG SER A 35 -8.220 12.879 -8.502 1.00 0.00 H new ATOM 539 N ARG A 36 -4.978 15.487 -10.476 1.00 0.00 N ATOM 540 CA ARG A 36 -3.924 15.957 -11.366 1.00 0.00 C ATOM 541 C ARG A 36 -3.085 14.791 -11.880 1.00 0.00 C ATOM 542 O ARG A 36 -2.755 13.872 -11.129 1.00 0.00 O ATOM 543 CB ARG A 36 -3.028 16.964 -10.642 1.00 0.00 C ATOM 544 CG ARG A 36 -2.007 16.317 -9.720 1.00 0.00 C ATOM 545 CD ARG A 36 -1.428 17.323 -8.737 1.00 0.00 C ATOM 546 NE ARG A 36 -0.396 16.730 -7.891 1.00 0.00 N ATOM 547 CZ ARG A 36 0.808 16.385 -8.333 1.00 0.00 C ATOM 548 NH1 ARG A 36 1.130 16.573 -9.606 1.00 0.00 N ATOM 549 NH2 ARG A 36 1.693 15.850 -7.502 1.00 0.00 N ATOM 0 H ARG A 36 -4.653 15.196 -9.554 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.395 16.446 -12.219 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.505 17.570 -11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.653 17.641 -10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.476 15.500 -9.172 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.203 15.882 -10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.007 18.165 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.227 17.719 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.612 16.572 -6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.452 16.984 -10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.055 16.307 -9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.449 15.703 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.617 15.585 -7.843 1.00 0.00 H new ATOM 563 N ARG A 37 -2.744 14.834 -13.164 1.00 0.00 N ATOM 564 CA ARG A 37 -1.945 13.781 -13.778 1.00 0.00 C ATOM 565 C ARG A 37 -0.892 13.259 -12.804 1.00 0.00 C ATOM 566 O ARG A 37 0.131 13.903 -12.575 1.00 0.00 O ATOM 567 CB ARG A 37 -1.268 14.300 -15.048 1.00 0.00 C ATOM 568 CG ARG A 37 -1.004 13.218 -16.083 1.00 0.00 C ATOM 569 CD ARG A 37 -2.258 12.891 -16.879 1.00 0.00 C ATOM 570 NE ARG A 37 -2.565 13.924 -17.865 1.00 0.00 N ATOM 571 CZ ARG A 37 -3.651 13.909 -18.631 1.00 0.00 C ATOM 572 NH1 ARG A 37 -4.528 12.921 -18.524 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.860 14.885 -19.505 1.00 0.00 N ATOM 0 H ARG A 37 -3.009 15.587 -13.799 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.612 12.959 -14.040 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.895 15.072 -15.494 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.323 14.772 -14.779 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.216 13.546 -16.761 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.642 12.318 -15.586 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.127 11.934 -17.385 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.101 12.778 -16.197 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.910 14.699 -17.971 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.370 12.170 -17.852 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.361 12.912 -19.113 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.187 15.647 -19.589 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.693 14.873 -20.093 1.00 0.00 H new ATOM 587 N LYS A 38 -1.151 12.087 -12.233 1.00 0.00 N ATOM 588 CA LYS A 38 -0.227 11.477 -11.285 1.00 0.00 C ATOM 589 C LYS A 38 -0.466 9.974 -11.184 1.00 0.00 C ATOM 590 O LYS A 38 -1.552 9.530 -10.811 1.00 0.00 O ATOM 591 CB LYS A 38 -0.380 12.122 -9.906 1.00 0.00 C ATOM 592 CG LYS A 38 0.775 11.826 -8.964 1.00 0.00 C ATOM 593 CD LYS A 38 2.055 12.507 -9.419 1.00 0.00 C ATOM 594 CE LYS A 38 3.194 12.263 -8.442 1.00 0.00 C ATOM 595 NZ LYS A 38 4.513 12.640 -9.022 1.00 0.00 N ATOM 0 H LYS A 38 -1.994 11.541 -12.411 1.00 0.00 H new ATOM 0 HA LYS A 38 0.788 11.643 -11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.471 13.201 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.307 11.773 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.521 12.162 -7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.934 10.749 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.335 12.136 -10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.883 13.579 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.020 12.836 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.210 11.211 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.263 12.459 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.691 12.075 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.507 13.650 -9.270 1.00 0.00 H new ATOM 609 N THR A 39 0.558 9.193 -11.517 1.00 0.00 N ATOM 610 CA THR A 39 0.459 7.740 -11.463 1.00 0.00 C ATOM 611 C THR A 39 -0.418 7.291 -10.300 1.00 0.00 C ATOM 612 O THR A 39 -0.332 7.814 -9.188 1.00 0.00 O ATOM 613 CB THR A 39 1.848 7.088 -11.325 1.00 0.00 C ATOM 614 OG1 THR A 39 2.742 7.628 -12.304 1.00 0.00 O ATOM 615 CG2 THR A 39 1.756 5.579 -11.493 1.00 0.00 C ATOM 0 H THR A 39 1.465 9.543 -11.827 1.00 0.00 H new ATOM 0 HA THR A 39 0.006 7.419 -12.401 1.00 0.00 H new ATOM 0 HB THR A 39 2.229 7.304 -10.327 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.623 7.210 -12.208 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.749 5.140 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.098 5.167 -10.728 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.356 5.347 -12.480 1.00 0.00 H new ATOM 623 N PRO A 40 -1.282 6.298 -10.558 1.00 0.00 N ATOM 624 CA PRO A 40 -2.191 5.756 -9.544 1.00 0.00 C ATOM 625 C PRO A 40 -1.454 4.966 -8.468 1.00 0.00 C ATOM 626 O PRO A 40 -2.071 4.259 -7.672 1.00 0.00 O ATOM 627 CB PRO A 40 -3.111 4.834 -10.349 1.00 0.00 C ATOM 628 CG PRO A 40 -2.307 4.443 -11.541 1.00 0.00 C ATOM 629 CD PRO A 40 -1.438 5.628 -11.860 1.00 0.00 C ATOM 0 HA PRO A 40 -2.719 6.544 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.405 3.961 -9.766 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.028 5.346 -10.641 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.702 3.561 -11.332 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.953 4.194 -12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.476 5.322 -12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.906 6.283 -12.595 1.00 0.00 H new ATOM 637 N MET A 41 -0.131 5.091 -8.450 1.00 0.00 N ATOM 638 CA MET A 41 0.689 4.390 -7.469 1.00 0.00 C ATOM 639 C MET A 41 0.029 4.409 -6.094 1.00 0.00 C ATOM 640 O MET A 41 -0.310 5.471 -5.572 1.00 0.00 O ATOM 641 CB MET A 41 2.079 5.024 -7.389 1.00 0.00 C ATOM 642 CG MET A 41 2.909 4.830 -8.647 1.00 0.00 C ATOM 643 SD MET A 41 4.678 4.739 -8.306 1.00 0.00 S ATOM 644 CE MET A 41 4.980 2.991 -8.549 1.00 0.00 C ATOM 0 H MET A 41 0.396 5.671 -9.103 1.00 0.00 H new ATOM 0 HA MET A 41 0.788 3.353 -7.790 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.972 6.091 -7.195 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.615 4.598 -6.541 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.592 3.916 -9.149 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.717 5.654 -9.334 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.801 2.671 -7.907 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.081 2.428 -8.297 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.242 2.808 -9.591 1.00 0.00 H new ATOM 654 N CYS A 42 -0.152 3.227 -5.514 1.00 0.00 N ATOM 655 CA CYS A 42 -0.773 3.108 -4.200 1.00 0.00 C ATOM 656 C CYS A 42 0.166 3.609 -3.107 1.00 0.00 C ATOM 657 O CYS A 42 1.379 3.684 -3.303 1.00 0.00 O ATOM 658 CB CYS A 42 -1.161 1.653 -3.927 1.00 0.00 C ATOM 659 SG CYS A 42 0.254 0.510 -3.838 1.00 0.00 S ATOM 0 H CYS A 42 0.122 2.338 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.672 3.725 -4.193 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.712 1.605 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.838 1.315 -4.712 1.00 0.00 H new ATOM 664 N GLU A 43 -0.404 3.951 -1.955 1.00 0.00 N ATOM 665 CA GLU A 43 0.383 4.445 -0.832 1.00 0.00 C ATOM 666 C GLU A 43 1.649 3.614 -0.646 1.00 0.00 C ATOM 667 O GLU A 43 2.736 4.155 -0.440 1.00 0.00 O ATOM 668 CB GLU A 43 -0.449 4.420 0.452 1.00 0.00 C ATOM 669 CG GLU A 43 -0.971 3.039 0.812 1.00 0.00 C ATOM 670 CD GLU A 43 -2.231 3.093 1.655 1.00 0.00 C ATOM 671 OE1 GLU A 43 -3.104 3.937 1.362 1.00 0.00 O ATOM 672 OE2 GLU A 43 -2.343 2.293 2.607 1.00 0.00 O ATOM 0 H GLU A 43 -1.407 3.895 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 43 0.673 5.473 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.158 4.796 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.293 5.101 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.174 2.482 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.199 2.493 1.354 1.00 0.00 H new ATOM 679 N LYS A 44 1.501 2.296 -0.721 1.00 0.00 N ATOM 680 CA LYS A 44 2.631 1.388 -0.563 1.00 0.00 C ATOM 681 C LYS A 44 3.749 1.736 -1.541 1.00 0.00 C ATOM 682 O LYS A 44 4.851 2.107 -1.133 1.00 0.00 O ATOM 683 CB LYS A 44 2.183 -0.059 -0.778 1.00 0.00 C ATOM 684 CG LYS A 44 3.329 -1.056 -0.785 1.00 0.00 C ATOM 685 CD LYS A 44 2.880 -2.425 -0.304 1.00 0.00 C ATOM 686 CE LYS A 44 2.311 -3.258 -1.442 1.00 0.00 C ATOM 687 NZ LYS A 44 0.981 -2.758 -1.885 1.00 0.00 N ATOM 0 H LYS A 44 0.609 1.832 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 44 3.013 1.496 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.479 -0.333 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.647 -0.128 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.734 -1.139 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.134 -0.691 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.724 -2.949 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.126 -2.309 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.003 -3.243 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.220 -4.296 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.427 -3.546 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.475 -2.350 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.110 -2.028 -2.615 1.00 0.00 H new ATOM 701 N CYS A 45 3.459 1.615 -2.832 1.00 0.00 N ATOM 702 CA CYS A 45 4.439 1.917 -3.868 1.00 0.00 C ATOM 703 C CYS A 45 5.007 3.322 -3.686 1.00 0.00 C ATOM 704 O CYS A 45 6.222 3.518 -3.694 1.00 0.00 O ATOM 705 CB CYS A 45 3.804 1.787 -5.254 1.00 0.00 C ATOM 706 SG CYS A 45 3.501 0.068 -5.773 1.00 0.00 S ATOM 0 H CYS A 45 2.552 1.310 -3.186 1.00 0.00 H new ATOM 0 HA CYS A 45 5.255 1.200 -3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.859 2.330 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.453 2.267 -5.986 1.00 0.00 H new ATOM 711 N ARG A 46 4.118 4.297 -3.523 1.00 0.00 N ATOM 712 CA ARG A 46 4.529 5.684 -3.341 1.00 0.00 C ATOM 713 C ARG A 46 5.809 5.767 -2.514 1.00 0.00 C ATOM 714 O ARG A 46 6.815 6.318 -2.960 1.00 0.00 O ATOM 715 CB ARG A 46 3.416 6.483 -2.661 1.00 0.00 C ATOM 716 CG ARG A 46 2.259 6.823 -3.585 1.00 0.00 C ATOM 717 CD ARG A 46 1.353 7.882 -2.976 1.00 0.00 C ATOM 718 NE ARG A 46 1.814 9.235 -3.276 1.00 0.00 N ATOM 719 CZ ARG A 46 1.730 9.790 -4.480 1.00 0.00 C ATOM 720 NH1 ARG A 46 1.205 9.111 -5.491 1.00 0.00 N ATOM 721 NH2 ARG A 46 2.171 11.026 -4.675 1.00 0.00 N ATOM 0 H ARG A 46 3.108 4.152 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 46 4.724 6.112 -4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.037 5.913 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.835 7.407 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.647 7.179 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.680 5.923 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.339 7.752 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.310 7.745 -1.896 1.00 0.00 H new ATOM 0 HE ARG A 46 2.223 9.784 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.865 8.161 -5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.142 9.539 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.575 11.551 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.106 11.451 -5.600 1.00 0.00 H new ATOM 735 N LYS A 47 5.762 5.216 -1.305 1.00 0.00 N ATOM 736 CA LYS A 47 6.917 5.227 -0.415 1.00 0.00 C ATOM 737 C LYS A 47 7.980 4.241 -0.890 1.00 0.00 C ATOM 738 O LYS A 47 9.160 4.580 -0.975 1.00 0.00 O ATOM 739 CB LYS A 47 6.488 4.882 1.013 1.00 0.00 C ATOM 740 CG LYS A 47 6.001 6.080 1.809 1.00 0.00 C ATOM 741 CD LYS A 47 4.510 6.306 1.620 1.00 0.00 C ATOM 742 CE LYS A 47 3.689 5.346 2.469 1.00 0.00 C ATOM 743 NZ LYS A 47 3.540 5.833 3.868 1.00 0.00 N ATOM 0 H LYS A 47 4.937 4.757 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 47 7.345 6.229 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.695 4.135 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.329 4.427 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.216 5.927 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.547 6.971 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.260 7.333 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.251 6.176 0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.703 5.218 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.167 4.366 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.975 5.152 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.479 5.931 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.061 6.756 3.865 1.00 0.00 H new ATOM 757 N ASP A 48 7.553 3.022 -1.199 1.00 0.00 N ATOM 758 CA ASP A 48 8.468 1.988 -1.669 1.00 0.00 C ATOM 759 C ASP A 48 9.479 2.564 -2.655 1.00 0.00 C ATOM 760 O ASP A 48 10.688 2.478 -2.441 1.00 0.00 O ATOM 761 CB ASP A 48 7.689 0.847 -2.326 1.00 0.00 C ATOM 762 CG ASP A 48 8.591 -0.280 -2.787 1.00 0.00 C ATOM 763 OD1 ASP A 48 9.105 -1.021 -1.922 1.00 0.00 O ATOM 764 OD2 ASP A 48 8.784 -0.422 -4.012 1.00 0.00 O ATOM 0 H ASP A 48 6.579 2.725 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 48 9.010 1.598 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.957 0.456 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.132 1.235 -3.179 1.00 0.00 H new ATOM 769 N SER A 49 8.975 3.150 -3.737 1.00 0.00 N ATOM 770 CA SER A 49 9.834 3.736 -4.759 1.00 0.00 C ATOM 771 C SER A 49 10.533 4.985 -4.231 1.00 0.00 C ATOM 772 O SER A 49 9.888 5.992 -3.934 1.00 0.00 O ATOM 773 CB SER A 49 9.017 4.083 -6.005 1.00 0.00 C ATOM 774 OG SER A 49 8.712 2.920 -6.755 1.00 0.00 O ATOM 0 H SER A 49 7.976 3.231 -3.928 1.00 0.00 H new ATOM 0 HA SER A 49 10.594 3.001 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.094 4.582 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.575 4.784 -6.626 1.00 0.00 H new ATOM 0 HG SER A 49 8.188 3.168 -7.545 1.00 0.00 H new ATOM 780 N CYS A 50 11.854 4.912 -4.116 1.00 0.00 N ATOM 781 CA CYS A 50 12.642 6.037 -3.623 1.00 0.00 C ATOM 782 C CYS A 50 13.428 6.688 -4.756 1.00 0.00 C ATOM 783 O CYS A 50 14.617 6.424 -4.930 1.00 0.00 O ATOM 784 CB CYS A 50 13.598 5.573 -2.523 1.00 0.00 C ATOM 785 SG CYS A 50 14.676 6.876 -1.883 1.00 0.00 S ATOM 0 H CYS A 50 12.402 4.086 -4.357 1.00 0.00 H new ATOM 0 HA CYS A 50 11.956 6.777 -3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 50 13.015 5.162 -1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.216 4.763 -2.911 1.00 0.00 H new ATOM 0 HG CYS A 50 15.445 6.387 -0.957 1.00 0.00 H new ATOM 791 N GLN A 51 12.755 7.539 -5.523 1.00 0.00 N ATOM 792 CA GLN A 51 13.390 8.227 -6.641 1.00 0.00 C ATOM 793 C GLN A 51 14.418 7.327 -7.320 1.00 0.00 C ATOM 794 O GLN A 51 15.499 7.778 -7.696 1.00 0.00 O ATOM 795 CB GLN A 51 14.061 9.515 -6.160 1.00 0.00 C ATOM 796 CG GLN A 51 14.375 10.492 -7.281 1.00 0.00 C ATOM 797 CD GLN A 51 14.791 11.856 -6.767 1.00 0.00 C ATOM 798 OE1 GLN A 51 15.377 11.974 -5.690 1.00 0.00 O ATOM 799 NE2 GLN A 51 14.489 12.896 -7.536 1.00 0.00 N ATOM 0 H GLN A 51 11.770 7.769 -5.391 1.00 0.00 H new ATOM 0 HA GLN A 51 12.617 8.478 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.411 10.004 -5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.985 9.261 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.172 10.083 -7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.498 10.600 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.003 12.752 -8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.743 13.839 -7.242 1.00 0.00 H new ATOM 808 N GLU A 52 14.072 6.053 -7.473 1.00 0.00 N ATOM 809 CA GLU A 52 14.966 5.090 -8.106 1.00 0.00 C ATOM 810 C GLU A 52 14.624 4.919 -9.583 1.00 0.00 C ATOM 811 O GLU A 52 14.572 3.801 -10.094 1.00 0.00 O ATOM 812 CB GLU A 52 14.884 3.739 -7.393 1.00 0.00 C ATOM 813 CG GLU A 52 16.027 2.799 -7.736 1.00 0.00 C ATOM 814 CD GLU A 52 17.386 3.397 -7.427 1.00 0.00 C ATOM 815 OE1 GLU A 52 17.960 4.058 -8.318 1.00 0.00 O ATOM 816 OE2 GLU A 52 17.876 3.204 -6.295 1.00 0.00 O ATOM 0 H GLU A 52 13.180 5.664 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 52 15.984 5.473 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.873 3.906 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.940 3.259 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.908 1.870 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.978 2.545 -8.795 1.00 0.00 H new ATOM 823 N ALA A 53 14.390 6.037 -10.263 1.00 0.00 N ATOM 824 CA ALA A 53 14.054 6.012 -11.682 1.00 0.00 C ATOM 825 C ALA A 53 14.923 6.987 -12.469 1.00 0.00 C ATOM 826 O ALA A 53 15.486 6.634 -13.505 1.00 0.00 O ATOM 827 CB ALA A 53 12.581 6.336 -11.881 1.00 0.00 C ATOM 0 H ALA A 53 14.427 6.971 -9.855 1.00 0.00 H new ATOM 0 HA ALA A 53 14.248 5.008 -12.059 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.344 6.314 -12.945 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.972 5.598 -11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.370 7.328 -11.483 1.00 0.00 H new ATOM 833 N ALA A 54 15.028 8.214 -11.970 1.00 0.00 N ATOM 834 CA ALA A 54 15.829 9.240 -12.627 1.00 0.00 C ATOM 835 C ALA A 54 16.271 10.310 -11.634 1.00 0.00 C ATOM 836 O ALA A 54 15.887 10.283 -10.464 1.00 0.00 O ATOM 837 CB ALA A 54 15.048 9.868 -13.771 1.00 0.00 C ATOM 0 H ALA A 54 14.569 8.522 -11.113 1.00 0.00 H new ATOM 0 HA ALA A 54 16.723 8.765 -13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.659 10.632 -14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.788 9.100 -14.499 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.137 10.323 -13.383 1.00 0.00 H new ATOM 843 N LEU A 55 17.080 11.251 -12.108 1.00 0.00 N ATOM 844 CA LEU A 55 17.574 12.332 -11.262 1.00 0.00 C ATOM 845 C LEU A 55 17.243 13.692 -11.866 1.00 0.00 C ATOM 846 O LEU A 55 17.788 14.715 -11.454 1.00 0.00 O ATOM 847 CB LEU A 55 19.086 12.202 -11.067 1.00 0.00 C ATOM 848 CG LEU A 55 19.893 11.827 -12.310 1.00 0.00 C ATOM 849 CD1 LEU A 55 20.067 13.035 -13.218 1.00 0.00 C ATOM 850 CD2 LEU A 55 21.247 11.256 -11.915 1.00 0.00 C ATOM 0 H LEU A 55 17.408 11.287 -13.073 1.00 0.00 H new ATOM 0 HA LEU A 55 17.080 12.256 -10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 55 19.466 13.149 -10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 55 19.270 11.451 -10.299 1.00 0.00 H new ATOM 0 HG LEU A 55 19.344 11.062 -12.858 1.00 0.00 H new ATOM 0 HD11 LEU A 55 20.644 12.749 -14.098 1.00 0.00 H new ATOM 0 HD12 LEU A 55 19.088 13.400 -13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 55 20.594 13.822 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.808 10.995 -12.813 1.00 0.00 H new ATOM 0 HD22 LEU A 55 21.803 12.000 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 55 21.102 10.364 -11.305 1.00 0.00 H new ATOM 862 N ASN A 56 16.344 13.696 -12.845 1.00 0.00 N ATOM 863 CA ASN A 56 15.938 14.931 -13.505 1.00 0.00 C ATOM 864 C ASN A 56 15.518 15.982 -12.482 1.00 0.00 C ATOM 865 O ASN A 56 15.982 17.122 -12.520 1.00 0.00 O ATOM 866 CB ASN A 56 14.788 14.661 -14.477 1.00 0.00 C ATOM 867 CG ASN A 56 15.191 13.733 -15.607 1.00 0.00 C ATOM 868 OD1 ASN A 56 16.204 13.038 -15.523 1.00 0.00 O ATOM 869 ND2 ASN A 56 14.399 13.719 -16.672 1.00 0.00 N ATOM 0 H ASN A 56 15.883 12.858 -13.199 1.00 0.00 H new ATOM 0 HA ASN A 56 16.793 15.313 -14.062 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.951 14.224 -13.933 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.439 15.606 -14.894 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.620 13.115 -17.464 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.569 14.312 -16.698 1.00 0.00 H new ATOM 876 N LYS A 57 14.636 15.591 -11.569 1.00 0.00 N ATOM 877 CA LYS A 57 14.153 16.497 -10.533 1.00 0.00 C ATOM 878 C LYS A 57 15.303 17.301 -9.935 1.00 0.00 C ATOM 879 O LYS A 57 16.100 16.778 -9.157 1.00 0.00 O ATOM 880 CB LYS A 57 13.439 15.711 -9.431 1.00 0.00 C ATOM 881 CG LYS A 57 13.008 16.569 -8.254 1.00 0.00 C ATOM 882 CD LYS A 57 12.665 15.720 -7.041 1.00 0.00 C ATOM 883 CE LYS A 57 11.925 16.528 -5.986 1.00 0.00 C ATOM 884 NZ LYS A 57 12.069 15.931 -4.630 1.00 0.00 N ATOM 0 H LYS A 57 14.240 14.652 -11.525 1.00 0.00 H new ATOM 0 HA LYS A 57 13.448 17.190 -10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.561 15.223 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.100 14.922 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.807 17.265 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.142 17.168 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.051 14.874 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.579 15.310 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.307 17.549 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.868 16.586 -6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.551 16.510 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.682 14.966 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.075 15.899 -4.370 1.00 0.00 H new ATOM 898 N ASP A 58 15.381 18.576 -10.302 1.00 0.00 N ATOM 899 CA ASP A 58 16.432 19.453 -9.799 1.00 0.00 C ATOM 900 C ASP A 58 16.328 19.613 -8.286 1.00 0.00 C ATOM 901 O ASP A 58 15.342 19.204 -7.675 1.00 0.00 O ATOM 902 CB ASP A 58 16.350 20.822 -10.476 1.00 0.00 C ATOM 903 CG ASP A 58 16.918 20.808 -11.881 1.00 0.00 C ATOM 904 OD1 ASP A 58 17.845 20.012 -12.138 1.00 0.00 O ATOM 905 OD2 ASP A 58 16.437 21.595 -12.724 1.00 0.00 O ATOM 0 H ASP A 58 14.729 19.025 -10.946 1.00 0.00 H new ATOM 0 HA ASP A 58 17.394 18.998 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.310 21.145 -10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.891 21.554 -9.876 1.00 0.00 H new ATOM 910 N GLU A 59 17.354 20.211 -7.687 1.00 0.00 N ATOM 911 CA GLU A 59 17.378 20.422 -6.245 1.00 0.00 C ATOM 912 C GLU A 59 16.522 21.625 -5.857 1.00 0.00 C ATOM 913 O GLU A 59 16.622 22.692 -6.460 1.00 0.00 O ATOM 914 CB GLU A 59 18.815 20.628 -5.761 1.00 0.00 C ATOM 915 CG GLU A 59 19.727 19.445 -6.040 1.00 0.00 C ATOM 916 CD GLU A 59 20.945 19.422 -5.137 1.00 0.00 C ATOM 917 OE1 GLU A 59 21.913 20.156 -5.427 1.00 0.00 O ATOM 918 OE2 GLU A 59 20.930 18.669 -4.141 1.00 0.00 O ATOM 0 H GLU A 59 18.178 20.557 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 59 16.965 19.534 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.228 21.515 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 59 18.804 20.822 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.166 18.520 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.051 19.478 -7.080 1.00 0.00 H new ATOM 925 N GLY A 60 15.680 21.442 -4.844 1.00 0.00 N ATOM 926 CA GLY A 60 14.818 22.519 -4.393 1.00 0.00 C ATOM 927 C GLY A 60 13.533 22.011 -3.769 1.00 0.00 C ATOM 928 O GLY A 60 13.188 20.839 -3.911 1.00 0.00 O ATOM 0 H GLY A 60 15.580 20.568 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.354 23.129 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.578 23.165 -5.237 1.00 0.00 H new ATOM 932 N ASN A 61 12.824 22.895 -3.075 1.00 0.00 N ATOM 933 CA ASN A 61 11.571 22.529 -2.425 1.00 0.00 C ATOM 934 C ASN A 61 10.375 22.942 -3.277 1.00 0.00 C ATOM 935 O ASN A 61 9.797 24.009 -3.075 1.00 0.00 O ATOM 936 CB ASN A 61 11.479 23.182 -1.045 1.00 0.00 C ATOM 937 CG ASN A 61 12.286 22.439 0.002 1.00 0.00 C ATOM 938 OD1 ASN A 61 11.958 21.311 0.369 1.00 0.00 O ATOM 939 ND2 ASN A 61 13.348 23.071 0.488 1.00 0.00 N ATOM 0 H ASN A 61 13.096 23.870 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 61 11.554 21.445 -2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.832 24.211 -1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.435 23.222 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.930 22.621 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 61 13.582 24.006 0.154 1.00 0.00 H new ATOM 946 N GLU A 62 10.010 22.089 -4.229 1.00 0.00 N ATOM 947 CA GLU A 62 8.883 22.367 -5.112 1.00 0.00 C ATOM 948 C GLU A 62 7.562 22.261 -4.356 1.00 0.00 C ATOM 949 O GLU A 62 6.702 23.136 -4.462 1.00 0.00 O ATOM 950 CB GLU A 62 8.885 21.399 -6.297 1.00 0.00 C ATOM 951 CG GLU A 62 7.752 21.640 -7.281 1.00 0.00 C ATOM 952 CD GLU A 62 7.928 20.868 -8.574 1.00 0.00 C ATOM 953 OE1 GLU A 62 7.446 19.718 -8.647 1.00 0.00 O ATOM 954 OE2 GLU A 62 8.547 21.412 -9.511 1.00 0.00 O ATOM 0 H GLU A 62 10.478 21.201 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 62 8.988 23.386 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.836 21.484 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.818 20.378 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.807 21.355 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.690 22.705 -7.504 1.00 0.00 H new ATOM 961 N SER A 63 7.407 21.183 -3.594 1.00 0.00 N ATOM 962 CA SER A 63 6.189 20.959 -2.824 1.00 0.00 C ATOM 963 C SER A 63 5.890 22.152 -1.922 1.00 0.00 C ATOM 964 O SER A 63 6.797 22.870 -1.502 1.00 0.00 O ATOM 965 CB SER A 63 6.319 19.689 -1.982 1.00 0.00 C ATOM 966 OG SER A 63 6.059 18.532 -2.759 1.00 0.00 O ATOM 0 H SER A 63 8.110 20.451 -3.493 1.00 0.00 H new ATOM 0 HA SER A 63 5.363 20.839 -3.525 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.322 19.630 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.623 19.732 -1.144 1.00 0.00 H new ATOM 0 HG SER A 63 6.150 17.734 -2.198 1.00 0.00 H new ATOM 972 N GLY A 64 4.610 22.358 -1.628 1.00 0.00 N ATOM 973 CA GLY A 64 4.212 23.465 -0.778 1.00 0.00 C ATOM 974 C GLY A 64 2.797 23.931 -1.057 1.00 0.00 C ATOM 975 O GLY A 64 1.990 24.075 -0.139 1.00 0.00 O ATOM 0 H GLY A 64 3.841 21.778 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.293 23.164 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.901 24.297 -0.924 1.00 0.00 H new ATOM 979 N LYS A 65 2.495 24.170 -2.329 1.00 0.00 N ATOM 980 CA LYS A 65 1.168 24.624 -2.728 1.00 0.00 C ATOM 981 C LYS A 65 0.570 23.698 -3.783 1.00 0.00 C ATOM 982 O LYS A 65 1.277 22.889 -4.385 1.00 0.00 O ATOM 983 CB LYS A 65 1.236 26.054 -3.270 1.00 0.00 C ATOM 984 CG LYS A 65 1.138 27.118 -2.191 1.00 0.00 C ATOM 985 CD LYS A 65 0.799 28.478 -2.778 1.00 0.00 C ATOM 986 CE LYS A 65 -0.697 28.627 -3.009 1.00 0.00 C ATOM 987 NZ LYS A 65 -1.046 29.979 -3.527 1.00 0.00 N ATOM 0 H LYS A 65 3.152 24.057 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 65 0.526 24.606 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.172 26.184 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.429 26.201 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.375 26.833 -1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.083 27.179 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.144 29.263 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.329 28.611 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.032 27.869 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.228 28.448 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.074 30.041 -3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.749 30.701 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.559 30.140 -4.432 1.00 0.00 H new ATOM 1001 N LYS A 66 -0.734 23.822 -4.002 1.00 0.00 N ATOM 1002 CA LYS A 66 -1.427 22.998 -4.986 1.00 0.00 C ATOM 1003 C LYS A 66 -1.265 23.575 -6.389 1.00 0.00 C ATOM 1004 O LYS A 66 -1.103 22.836 -7.361 1.00 0.00 O ATOM 1005 CB LYS A 66 -2.913 22.891 -4.636 1.00 0.00 C ATOM 1006 CG LYS A 66 -3.664 24.204 -4.762 1.00 0.00 C ATOM 1007 CD LYS A 66 -4.993 24.160 -4.026 1.00 0.00 C ATOM 1008 CE LYS A 66 -5.903 25.302 -4.451 1.00 0.00 C ATOM 1009 NZ LYS A 66 -7.072 25.447 -3.540 1.00 0.00 N ATOM 0 H LYS A 66 -1.333 24.486 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.983 22.003 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.379 22.152 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.011 22.523 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.053 25.013 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.838 24.425 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.487 23.208 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.817 24.214 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.336 26.233 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.254 25.127 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.668 26.236 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.628 24.568 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.738 25.639 -2.574 1.00 0.00 H new ATOM 1023 N THR A 67 -1.307 24.900 -6.488 1.00 0.00 N ATOM 1024 CA THR A 67 -1.164 25.575 -7.772 1.00 0.00 C ATOM 1025 C THR A 67 0.056 26.489 -7.780 1.00 0.00 C ATOM 1026 O THR A 67 0.233 27.311 -6.880 1.00 0.00 O ATOM 1027 CB THR A 67 -2.416 26.406 -8.112 1.00 0.00 C ATOM 1028 OG1 THR A 67 -2.804 27.193 -6.980 1.00 0.00 O ATOM 1029 CG2 THR A 67 -3.568 25.503 -8.527 1.00 0.00 C ATOM 0 H THR A 67 -1.439 25.527 -5.694 1.00 0.00 H new ATOM 0 HA THR A 67 -1.037 24.798 -8.525 1.00 0.00 H new ATOM 0 HB THR A 67 -2.173 27.065 -8.946 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.019 27.653 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.441 26.112 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.280 24.927 -9.406 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.810 24.823 -7.710 1.00 0.00 H new ATOM 1037 N SER A 68 0.893 26.342 -8.801 1.00 0.00 N ATOM 1038 CA SER A 68 2.099 27.153 -8.924 1.00 0.00 C ATOM 1039 C SER A 68 2.175 27.808 -10.300 1.00 0.00 C ATOM 1040 O SER A 68 2.020 27.146 -11.325 1.00 0.00 O ATOM 1041 CB SER A 68 3.343 26.294 -8.687 1.00 0.00 C ATOM 1042 OG SER A 68 4.523 27.075 -8.760 1.00 0.00 O ATOM 0 H SER A 68 0.759 25.669 -9.555 1.00 0.00 H new ATOM 0 HA SER A 68 2.058 27.938 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.279 25.817 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.385 25.496 -9.429 1.00 0.00 H new ATOM 0 HG SER A 68 5.304 26.504 -8.603 1.00 0.00 H new ATOM 1048 N GLY A 69 2.414 29.116 -10.313 1.00 0.00 N ATOM 1049 CA GLY A 69 2.506 29.841 -11.567 1.00 0.00 C ATOM 1050 C GLY A 69 1.179 29.911 -12.295 1.00 0.00 C ATOM 1051 O GLY A 69 0.223 29.212 -11.956 1.00 0.00 O ATOM 0 H GLY A 69 2.546 29.686 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.864 30.852 -11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.244 29.359 -12.208 1.00 0.00 H new ATOM 1055 N PRO A 70 1.106 30.773 -13.320 1.00 0.00 N ATOM 1056 CA PRO A 70 -0.110 30.952 -14.118 1.00 0.00 C ATOM 1057 C PRO A 70 -0.416 29.739 -14.989 1.00 0.00 C ATOM 1058 O PRO A 70 -1.469 29.668 -15.624 1.00 0.00 O ATOM 1059 CB PRO A 70 0.214 32.168 -14.990 1.00 0.00 C ATOM 1060 CG PRO A 70 1.701 32.178 -15.088 1.00 0.00 C ATOM 1061 CD PRO A 70 2.206 31.638 -13.779 1.00 0.00 C ATOM 0 HA PRO A 70 -0.993 31.082 -13.492 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.247 32.084 -15.974 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.159 33.088 -14.541 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.041 31.563 -15.921 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.074 33.187 -15.264 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.132 31.077 -13.906 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.412 32.437 -13.067 1.00 0.00 H new ATOM 1069 N SER A 71 0.510 28.786 -15.015 1.00 0.00 N ATOM 1070 CA SER A 71 0.340 27.576 -15.811 1.00 0.00 C ATOM 1071 C SER A 71 -0.053 26.395 -14.928 1.00 0.00 C ATOM 1072 O SER A 71 0.508 25.305 -15.045 1.00 0.00 O ATOM 1073 CB SER A 71 1.629 27.254 -16.570 1.00 0.00 C ATOM 1074 OG SER A 71 1.409 26.249 -17.545 1.00 0.00 O ATOM 0 H SER A 71 1.386 28.828 -14.494 1.00 0.00 H new ATOM 0 HA SER A 71 -0.461 27.753 -16.529 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.006 28.156 -17.052 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.395 26.923 -15.869 1.00 0.00 H new ATOM 0 HG SER A 71 0.999 25.466 -17.121 1.00 0.00 H new ATOM 1080 N SER A 72 -1.020 26.621 -14.045 1.00 0.00 N ATOM 1081 CA SER A 72 -1.487 25.578 -13.139 1.00 0.00 C ATOM 1082 C SER A 72 -2.938 25.212 -13.432 1.00 0.00 C ATOM 1083 O SER A 72 -3.665 24.752 -12.553 1.00 0.00 O ATOM 1084 CB SER A 72 -1.348 26.036 -11.686 1.00 0.00 C ATOM 1085 OG SER A 72 -2.044 27.251 -11.465 1.00 0.00 O ATOM 0 H SER A 72 -1.495 27.517 -13.937 1.00 0.00 H new ATOM 0 HA SER A 72 -0.870 24.693 -13.295 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.735 25.265 -11.020 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.294 26.168 -11.442 1.00 0.00 H new ATOM 0 HG SER A 72 -1.427 28.005 -11.572 1.00 0.00 H new ATOM 1091 N GLY A 73 -3.354 25.420 -14.678 1.00 0.00 N ATOM 1092 CA GLY A 73 -4.717 25.108 -15.067 1.00 0.00 C ATOM 1093 C GLY A 73 -4.842 23.730 -15.686 1.00 0.00 C ATOM 1094 O GLY A 73 -5.510 23.591 -16.709 1.00 0.00 O ATOM 0 H GLY A 73 -2.771 25.799 -15.425 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.364 25.170 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.069 25.856 -15.778 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 1.177 -0.079 -5.892 1.00 0.00 ZN