USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 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 Single : A 37 GLN : amide:sc= -0.448 K(o=-0.45,f=-3.2!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 146:sc= 0.475 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 3:sc= 0.138 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 62 THR OG1 : rot -38:sc= 0.0496 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= -0.143 (180deg=-0.305) USER MOD Single : A 72 CYS SG : rot -150:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0115 K(o=-0.012,f=-1.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.197) USER MOD Single : A 102 MET CE :methyl -164:sc=-0.000442 (180deg=-0.272) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 1.367 17.257 3.690 1.00 0.00 N ATOM 30 CA ASP A 31 1.599 16.374 2.512 1.00 0.00 C ATOM 31 C ASP A 31 1.603 14.912 2.965 1.00 0.00 C ATOM 32 O ASP A 31 2.595 14.405 3.450 1.00 0.00 O ATOM 33 CB ASP A 31 2.949 16.715 1.877 1.00 0.00 C ATOM 34 CG ASP A 31 4.023 16.782 2.965 1.00 0.00 C ATOM 35 OD1 ASP A 31 3.700 16.499 4.107 1.00 0.00 O ATOM 36 OD2 ASP A 31 5.150 17.115 2.637 1.00 0.00 O ATOM 0 HA ASP A 31 0.805 16.526 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.214 15.962 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.886 17.669 1.354 1.00 0.00 H new ATOM 41 N GLY A 32 0.502 14.230 2.809 1.00 0.00 N ATOM 42 CA GLY A 32 0.444 12.802 3.230 1.00 0.00 C ATOM 43 C GLY A 32 1.483 11.995 2.450 1.00 0.00 C ATOM 44 O GLY A 32 1.857 12.348 1.349 1.00 0.00 O ATOM 0 H GLY A 32 -0.360 14.600 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.633 12.720 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.553 12.400 3.051 1.00 0.00 H new ATOM 48 N VAL A 33 1.953 10.915 3.011 1.00 0.00 N ATOM 49 CA VAL A 33 2.968 10.088 2.300 1.00 0.00 C ATOM 50 C VAL A 33 2.697 8.606 2.569 1.00 0.00 C ATOM 51 O VAL A 33 3.033 8.083 3.613 1.00 0.00 O ATOM 52 CB VAL A 33 4.365 10.450 2.805 1.00 0.00 C ATOM 53 CG1 VAL A 33 4.651 11.923 2.506 1.00 0.00 C ATOM 54 CG2 VAL A 33 4.437 10.215 4.316 1.00 0.00 C ATOM 0 H VAL A 33 1.678 10.570 3.931 1.00 0.00 H new ATOM 0 HA VAL A 33 2.908 10.280 1.229 1.00 0.00 H new ATOM 0 HB VAL A 33 5.105 9.827 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.647 12.181 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.599 12.093 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.911 12.546 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.433 10.473 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.697 10.839 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.233 9.166 4.531 1.00 0.00 H new ATOM 64 N VAL A 34 2.092 7.925 1.634 1.00 0.00 N ATOM 65 CA VAL A 34 1.801 6.478 1.837 1.00 0.00 C ATOM 66 C VAL A 34 2.990 5.645 1.353 1.00 0.00 C ATOM 67 O VAL A 34 3.704 6.032 0.449 1.00 0.00 O ATOM 68 CB VAL A 34 0.552 6.093 1.043 1.00 0.00 C ATOM 69 CG1 VAL A 34 0.068 4.712 1.489 1.00 0.00 C ATOM 70 CG2 VAL A 34 -0.550 7.124 1.296 1.00 0.00 C ATOM 0 H VAL A 34 1.787 8.308 0.739 1.00 0.00 H new ATOM 0 HA VAL A 34 1.631 6.287 2.897 1.00 0.00 H new ATOM 0 HB VAL A 34 0.791 6.068 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.822 4.438 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.852 3.976 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.171 4.736 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.441 6.851 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.788 7.148 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.207 8.109 0.979 1.00 0.00 H new ATOM 80 N ARG A 35 3.209 4.504 1.947 1.00 0.00 N ATOM 81 CA ARG A 35 4.352 3.649 1.520 1.00 0.00 C ATOM 82 C ARG A 35 3.846 2.239 1.211 1.00 0.00 C ATOM 83 O ARG A 35 3.309 1.561 2.064 1.00 0.00 O ATOM 84 CB ARG A 35 5.388 3.585 2.644 1.00 0.00 C ATOM 85 CG ARG A 35 5.886 4.996 2.962 1.00 0.00 C ATOM 86 CD ARG A 35 6.767 4.958 4.212 1.00 0.00 C ATOM 87 NE ARG A 35 7.405 6.289 4.411 1.00 0.00 N ATOM 88 CZ ARG A 35 7.222 6.940 5.527 1.00 0.00 C ATOM 89 NH1 ARG A 35 6.014 7.247 5.914 1.00 0.00 N ATOM 90 NH2 ARG A 35 8.248 7.284 6.257 1.00 0.00 N ATOM 0 H ARG A 35 2.646 4.127 2.709 1.00 0.00 H new ATOM 0 HA ARG A 35 4.811 4.074 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.947 3.135 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.224 2.952 2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.451 5.392 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.040 5.664 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.168 4.696 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.532 4.188 4.108 1.00 0.00 H new ATOM 0 HE ARG A 35 7.985 6.692 3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.212 6.978 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.872 7.756 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.192 7.044 5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.105 7.793 7.129 1.00 0.00 H new ATOM 104 N ILE A 36 4.014 1.791 -0.003 1.00 0.00 N ATOM 105 CA ILE A 36 3.544 0.425 -0.366 1.00 0.00 C ATOM 106 C ILE A 36 4.739 -0.430 -0.792 1.00 0.00 C ATOM 107 O ILE A 36 5.419 -0.128 -1.753 1.00 0.00 O ATOM 108 CB ILE A 36 2.546 0.519 -1.522 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.553 1.650 -1.246 1.00 0.00 C ATOM 110 CG2 ILE A 36 1.788 -0.804 -1.651 1.00 0.00 C ATOM 111 CD1 ILE A 36 1.748 2.763 -2.277 1.00 0.00 C ATOM 0 H ILE A 36 4.457 2.313 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 36 3.059 -0.033 0.496 1.00 0.00 H new ATOM 0 HB ILE A 36 3.082 0.722 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.532 1.271 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.702 2.042 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.077 -0.737 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.495 -1.611 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.252 -1.008 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.041 3.569 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.765 3.148 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.577 2.366 -3.278 1.00 0.00 H new ATOM 123 N GLN A 37 5.002 -1.494 -0.084 1.00 0.00 N ATOM 124 CA GLN A 37 6.154 -2.366 -0.450 1.00 0.00 C ATOM 125 C GLN A 37 5.893 -3.790 0.044 1.00 0.00 C ATOM 126 O GLN A 37 4.909 -4.058 0.706 1.00 0.00 O ATOM 127 CB GLN A 37 7.429 -1.826 0.202 1.00 0.00 C ATOM 128 CG GLN A 37 7.260 -1.815 1.722 1.00 0.00 C ATOM 129 CD GLN A 37 8.516 -2.392 2.379 1.00 0.00 C ATOM 130 OE1 GLN A 37 9.505 -2.635 1.717 1.00 0.00 O ATOM 131 NE2 GLN A 37 8.518 -2.622 3.664 1.00 0.00 N ATOM 0 H GLN A 37 4.470 -1.797 0.731 1.00 0.00 H new ATOM 0 HA GLN A 37 6.274 -2.374 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.282 -2.445 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.636 -0.818 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.088 -0.797 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.386 -2.401 2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.688 -2.418 4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.350 -3.006 4.112 1.00 0.00 H new ATOM 140 N ARG A 38 6.766 -4.707 -0.272 1.00 0.00 N ATOM 141 CA ARG A 38 6.567 -6.113 0.180 1.00 0.00 C ATOM 142 C ARG A 38 7.523 -6.417 1.335 1.00 0.00 C ATOM 143 O ARG A 38 8.667 -6.008 1.330 1.00 0.00 O ATOM 144 CB ARG A 38 6.851 -7.067 -0.982 1.00 0.00 C ATOM 145 CG ARG A 38 8.203 -6.721 -1.609 1.00 0.00 C ATOM 146 CD ARG A 38 8.924 -8.009 -2.013 1.00 0.00 C ATOM 147 NE ARG A 38 9.791 -7.743 -3.195 1.00 0.00 N ATOM 148 CZ ARG A 38 9.898 -8.637 -4.140 1.00 0.00 C ATOM 149 NH1 ARG A 38 8.964 -8.744 -5.045 1.00 0.00 N ATOM 150 NH2 ARG A 38 10.938 -9.423 -4.179 1.00 0.00 N ATOM 0 H ARG A 38 7.608 -4.543 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 38 5.538 -6.245 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.856 -8.098 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.062 -6.991 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.059 -6.084 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.811 -6.158 -0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.526 -8.377 -1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.197 -8.786 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 38 10.301 -6.862 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.151 -8.129 -5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.047 -9.442 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.668 -9.339 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.022 -10.122 -4.917 1.00 0.00 H new ATOM 164 N GLN A 39 7.064 -7.133 2.324 1.00 0.00 N ATOM 165 CA GLN A 39 7.948 -7.463 3.478 1.00 0.00 C ATOM 166 C GLN A 39 7.984 -8.980 3.676 1.00 0.00 C ATOM 167 O GLN A 39 7.656 -9.486 4.731 1.00 0.00 O ATOM 168 CB GLN A 39 7.405 -6.796 4.743 1.00 0.00 C ATOM 169 CG GLN A 39 8.540 -6.065 5.463 1.00 0.00 C ATOM 170 CD GLN A 39 8.376 -6.230 6.975 1.00 0.00 C ATOM 171 OE1 GLN A 39 7.350 -5.887 7.528 1.00 0.00 O ATOM 172 NE2 GLN A 39 9.352 -6.744 7.672 1.00 0.00 N ATOM 0 H GLN A 39 6.116 -7.504 2.383 1.00 0.00 H new ATOM 0 HA GLN A 39 8.956 -7.099 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.612 -6.094 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.965 -7.545 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.503 -6.465 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.531 -5.008 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.213 -7.032 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.253 -6.858 8.681 1.00 0.00 H new ATOM 181 N THR A 40 8.379 -9.710 2.669 1.00 0.00 N ATOM 182 CA THR A 40 8.435 -11.193 2.801 1.00 0.00 C ATOM 183 C THR A 40 9.662 -11.585 3.627 1.00 0.00 C ATOM 184 O THR A 40 10.556 -10.792 3.843 1.00 0.00 O ATOM 185 CB THR A 40 8.533 -11.825 1.411 1.00 0.00 C ATOM 186 OG1 THR A 40 8.395 -13.235 1.523 1.00 0.00 O ATOM 187 CG2 THR A 40 9.890 -11.491 0.790 1.00 0.00 C ATOM 0 H THR A 40 8.665 -9.344 1.761 1.00 0.00 H new ATOM 0 HA THR A 40 7.533 -11.548 3.299 1.00 0.00 H new ATOM 0 HB THR A 40 7.740 -11.431 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.923 -13.581 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.958 -11.942 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.994 -10.409 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.686 -11.883 1.423 1.00 0.00 H new ATOM 266 N LYS A 46 6.578 -16.745 -1.738 1.00 0.00 N ATOM 267 CA LYS A 46 5.368 -15.891 -1.574 1.00 0.00 C ATOM 268 C LYS A 46 5.786 -14.496 -1.106 1.00 0.00 C ATOM 269 O LYS A 46 6.953 -14.218 -0.912 1.00 0.00 O ATOM 270 CB LYS A 46 4.437 -16.520 -0.535 1.00 0.00 C ATOM 271 CG LYS A 46 5.269 -17.129 0.594 1.00 0.00 C ATOM 272 CD LYS A 46 4.338 -17.721 1.654 1.00 0.00 C ATOM 273 CE LYS A 46 3.703 -16.590 2.465 1.00 0.00 C ATOM 274 NZ LYS A 46 3.750 -16.933 3.915 1.00 0.00 N ATOM 0 HA LYS A 46 4.848 -15.812 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.759 -15.766 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.820 -17.288 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.926 -17.904 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.908 -16.367 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.563 -18.321 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.896 -18.386 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.234 -15.655 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.671 -16.437 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.319 -16.165 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.225 -17.815 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.739 -17.058 4.210 1.00 0.00 H new ATOM 288 N GLY A 47 4.840 -13.615 -0.922 1.00 0.00 N ATOM 289 CA GLY A 47 5.182 -12.238 -0.466 1.00 0.00 C ATOM 290 C GLY A 47 3.898 -11.482 -0.119 1.00 0.00 C ATOM 291 O GLY A 47 2.860 -11.698 -0.712 1.00 0.00 O ATOM 0 H GLY A 47 3.846 -13.790 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.836 -12.284 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.728 -11.710 -1.248 1.00 0.00 H new ATOM 295 N VAL A 48 3.958 -10.598 0.839 1.00 0.00 N ATOM 296 CA VAL A 48 2.740 -9.831 1.222 1.00 0.00 C ATOM 297 C VAL A 48 2.993 -8.336 1.019 1.00 0.00 C ATOM 298 O VAL A 48 4.120 -7.885 0.991 1.00 0.00 O ATOM 299 CB VAL A 48 2.412 -10.097 2.693 1.00 0.00 C ATOM 300 CG1 VAL A 48 1.895 -11.528 2.850 1.00 0.00 C ATOM 301 CG2 VAL A 48 3.676 -9.917 3.536 1.00 0.00 C ATOM 0 H VAL A 48 4.798 -10.374 1.373 1.00 0.00 H new ATOM 0 HA VAL A 48 1.902 -10.145 0.599 1.00 0.00 H new ATOM 0 HB VAL A 48 1.647 -9.396 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.661 -11.718 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.995 -11.658 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.659 -12.230 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.444 -10.106 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.440 -10.619 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.046 -8.898 3.424 1.00 0.00 H new ATOM 311 N CYS A 49 1.951 -7.563 0.876 1.00 0.00 N ATOM 312 CA CYS A 49 2.131 -6.098 0.675 1.00 0.00 C ATOM 313 C CYS A 49 1.413 -5.339 1.793 1.00 0.00 C ATOM 314 O CYS A 49 0.217 -5.461 1.969 1.00 0.00 O ATOM 315 CB CYS A 49 1.541 -5.692 -0.677 1.00 0.00 C ATOM 316 SG CYS A 49 2.496 -4.316 -1.363 1.00 0.00 S ATOM 0 H CYS A 49 0.983 -7.883 0.890 1.00 0.00 H new ATOM 0 HA CYS A 49 3.194 -5.856 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.559 -6.539 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.497 -5.401 -0.558 1.00 0.00 H new ATOM 0 HG CYS A 49 3.495 -4.047 -0.576 1.00 0.00 H new ATOM 322 N LEU A 50 2.132 -4.556 2.550 1.00 0.00 N ATOM 323 CA LEU A 50 1.488 -3.792 3.655 1.00 0.00 C ATOM 324 C LEU A 50 1.508 -2.299 3.324 1.00 0.00 C ATOM 325 O LEU A 50 2.400 -1.813 2.658 1.00 0.00 O ATOM 326 CB LEU A 50 2.254 -4.036 4.957 1.00 0.00 C ATOM 327 CG LEU A 50 1.471 -5.011 5.836 1.00 0.00 C ATOM 328 CD1 LEU A 50 1.978 -6.434 5.598 1.00 0.00 C ATOM 329 CD2 LEU A 50 1.668 -4.640 7.308 1.00 0.00 C ATOM 0 H LEU A 50 3.137 -4.413 2.451 1.00 0.00 H new ATOM 0 HA LEU A 50 0.456 -4.123 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.243 -4.440 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.404 -3.094 5.485 1.00 0.00 H new ATOM 0 HG LEU A 50 0.412 -4.956 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.419 -7.129 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.839 -6.699 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.037 -6.490 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.110 -5.335 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.727 -4.695 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.307 -3.626 7.479 1.00 0.00 H new ATOM 341 N ILE A 51 0.530 -1.567 3.784 1.00 0.00 N ATOM 342 CA ILE A 51 0.494 -0.105 3.495 1.00 0.00 C ATOM 343 C ILE A 51 0.167 0.660 4.778 1.00 0.00 C ATOM 344 O ILE A 51 -0.815 0.389 5.441 1.00 0.00 O ATOM 345 CB ILE A 51 -0.578 0.181 2.442 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.144 -0.412 1.100 1.00 0.00 C ATOM 347 CG2 ILE A 51 -0.759 1.693 2.296 1.00 0.00 C ATOM 348 CD1 ILE A 51 -1.379 -0.845 0.309 1.00 0.00 C ATOM 0 H ILE A 51 -0.245 -1.918 4.347 1.00 0.00 H new ATOM 0 HA ILE A 51 1.466 0.215 3.119 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.521 -0.270 2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.425 0.324 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.514 -1.266 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.523 1.897 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.067 2.117 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.184 2.144 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.069 -1.267 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.929 -1.596 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.020 0.019 0.133 1.00 0.00 H new ATOM 360 N THR A 52 0.981 1.616 5.134 1.00 0.00 N ATOM 361 CA THR A 52 0.716 2.398 6.374 1.00 0.00 C ATOM 362 C THR A 52 1.300 3.804 6.225 1.00 0.00 C ATOM 363 O THR A 52 2.076 4.073 5.330 1.00 0.00 O ATOM 364 CB THR A 52 1.369 1.698 7.568 1.00 0.00 C ATOM 365 OG1 THR A 52 1.735 0.376 7.198 1.00 0.00 O ATOM 366 CG2 THR A 52 0.383 1.648 8.736 1.00 0.00 C ATOM 0 H THR A 52 1.818 1.889 4.619 1.00 0.00 H new ATOM 0 HA THR A 52 -0.360 2.467 6.537 1.00 0.00 H new ATOM 0 HB THR A 52 2.258 2.251 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.155 -0.073 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.850 1.149 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.104 2.663 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.508 1.097 8.436 1.00 0.00 H new ATOM 374 N GLY A 53 0.934 4.704 7.097 1.00 0.00 N ATOM 375 CA GLY A 53 1.469 6.092 7.004 1.00 0.00 C ATOM 376 C GLY A 53 0.513 6.955 6.179 1.00 0.00 C ATOM 377 O GLY A 53 0.860 8.030 5.732 1.00 0.00 O ATOM 0 H GLY A 53 0.288 4.538 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.588 6.515 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.456 6.082 6.543 1.00 0.00 H new ATOM 381 N VAL A 54 -0.690 6.493 5.973 1.00 0.00 N ATOM 382 CA VAL A 54 -1.667 7.287 5.177 1.00 0.00 C ATOM 383 C VAL A 54 -2.202 8.441 6.029 1.00 0.00 C ATOM 384 O VAL A 54 -2.986 8.244 6.935 1.00 0.00 O ATOM 385 CB VAL A 54 -2.829 6.387 4.751 1.00 0.00 C ATOM 386 CG1 VAL A 54 -3.659 7.096 3.680 1.00 0.00 C ATOM 387 CG2 VAL A 54 -2.276 5.078 4.183 1.00 0.00 C ATOM 0 H VAL A 54 -1.038 5.600 6.322 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.173 7.687 4.291 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.458 6.173 5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.486 6.454 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.052 8.029 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.031 7.310 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.102 4.435 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.647 5.293 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.684 4.572 4.946 1.00 0.00 H new ATOM 397 N ASP A 55 -1.783 9.644 5.745 1.00 0.00 N ATOM 398 CA ASP A 55 -2.268 10.808 6.538 1.00 0.00 C ATOM 399 C ASP A 55 -3.466 11.444 5.830 1.00 0.00 C ATOM 400 O ASP A 55 -3.327 12.396 5.087 1.00 0.00 O ATOM 401 CB ASP A 55 -1.146 11.840 6.668 1.00 0.00 C ATOM 402 CG ASP A 55 -1.435 12.763 7.854 1.00 0.00 C ATOM 403 OD1 ASP A 55 -1.896 12.265 8.868 1.00 0.00 O ATOM 404 OD2 ASP A 55 -1.192 13.952 7.727 1.00 0.00 O ATOM 0 H ASP A 55 -1.126 9.871 4.998 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.569 10.471 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.190 11.337 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.066 12.423 5.751 1.00 0.00 H new ATOM 409 N LEU A 56 -4.643 10.927 6.053 1.00 0.00 N ATOM 410 CA LEU A 56 -5.848 11.502 5.392 1.00 0.00 C ATOM 411 C LEU A 56 -7.044 11.410 6.342 1.00 0.00 C ATOM 412 O LEU A 56 -6.908 11.044 7.493 1.00 0.00 O ATOM 413 CB LEU A 56 -6.151 10.719 4.113 1.00 0.00 C ATOM 414 CG LEU A 56 -5.596 11.476 2.906 1.00 0.00 C ATOM 415 CD1 LEU A 56 -4.352 10.758 2.380 1.00 0.00 C ATOM 416 CD2 LEU A 56 -6.658 11.527 1.805 1.00 0.00 C ATOM 0 H LEU A 56 -4.822 10.131 6.665 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.662 12.547 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.706 9.726 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.227 10.581 4.005 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.331 12.490 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.957 11.298 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.595 10.720 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.616 9.744 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.264 12.066 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.923 10.512 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.545 12.039 2.179 1.00 0.00 H new ATOM 428 N ASP A 57 -8.215 11.739 5.870 1.00 0.00 N ATOM 429 CA ASP A 57 -9.418 11.669 6.747 1.00 0.00 C ATOM 430 C ASP A 57 -9.734 10.206 7.063 1.00 0.00 C ATOM 431 O ASP A 57 -9.461 9.319 6.280 1.00 0.00 O ATOM 432 CB ASP A 57 -10.610 12.306 6.030 1.00 0.00 C ATOM 433 CG ASP A 57 -10.798 13.741 6.526 1.00 0.00 C ATOM 434 OD1 ASP A 57 -10.248 14.064 7.566 1.00 0.00 O ATOM 435 OD2 ASP A 57 -11.490 14.492 5.858 1.00 0.00 O ATOM 0 H ASP A 57 -8.391 12.053 4.916 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.223 12.207 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.445 12.301 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.513 11.725 6.216 1.00 0.00 H new ATOM 440 N ASP A 58 -10.308 9.947 8.206 1.00 0.00 N ATOM 441 CA ASP A 58 -10.641 8.542 8.572 1.00 0.00 C ATOM 442 C ASP A 58 -11.455 7.899 7.447 1.00 0.00 C ATOM 443 O ASP A 58 -11.191 6.787 7.034 1.00 0.00 O ATOM 444 CB ASP A 58 -11.461 8.532 9.864 1.00 0.00 C ATOM 445 CG ASP A 58 -10.522 8.406 11.065 1.00 0.00 C ATOM 446 OD1 ASP A 58 -9.326 8.300 10.848 1.00 0.00 O ATOM 447 OD2 ASP A 58 -11.014 8.417 12.181 1.00 0.00 O ATOM 0 H ASP A 58 -10.561 10.648 8.902 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.720 7.979 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.047 9.448 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.167 7.702 9.852 1.00 0.00 H new ATOM 452 N ALA A 59 -12.444 8.589 6.948 1.00 0.00 N ATOM 453 CA ALA A 59 -13.274 8.015 5.851 1.00 0.00 C ATOM 454 C ALA A 59 -12.382 7.685 4.653 1.00 0.00 C ATOM 455 O ALA A 59 -12.493 6.633 4.055 1.00 0.00 O ATOM 456 CB ALA A 59 -14.336 9.033 5.430 1.00 0.00 C ATOM 0 H ALA A 59 -12.713 9.525 7.252 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.760 7.105 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -14.944 8.614 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -14.973 9.268 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -13.849 9.943 5.079 1.00 0.00 H new ATOM 462 N GLU A 60 -11.497 8.575 4.295 1.00 0.00 N ATOM 463 CA GLU A 60 -10.600 8.311 3.135 1.00 0.00 C ATOM 464 C GLU A 60 -9.930 6.946 3.308 1.00 0.00 C ATOM 465 O GLU A 60 -9.689 6.237 2.351 1.00 0.00 O ATOM 466 CB GLU A 60 -9.528 9.400 3.060 1.00 0.00 C ATOM 467 CG GLU A 60 -10.090 10.620 2.327 1.00 0.00 C ATOM 468 CD GLU A 60 -10.128 10.340 0.824 1.00 0.00 C ATOM 469 OE1 GLU A 60 -9.080 10.053 0.268 1.00 0.00 O ATOM 470 OE2 GLU A 60 -11.203 10.417 0.254 1.00 0.00 O ATOM 0 H GLU A 60 -11.357 9.474 4.756 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.185 8.314 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.209 9.681 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.648 9.023 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.092 10.846 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.472 11.495 2.529 1.00 0.00 H new ATOM 477 N LEU A 61 -9.626 6.572 4.521 1.00 0.00 N ATOM 478 CA LEU A 61 -8.971 5.254 4.752 1.00 0.00 C ATOM 479 C LEU A 61 -9.842 4.141 4.166 1.00 0.00 C ATOM 480 O LEU A 61 -9.393 3.345 3.364 1.00 0.00 O ATOM 481 CB LEU A 61 -8.798 5.027 6.255 1.00 0.00 C ATOM 482 CG LEU A 61 -7.680 5.927 6.783 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.473 5.663 8.275 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.384 5.625 6.028 1.00 0.00 C ATOM 0 H LEU A 61 -9.803 7.122 5.361 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.995 5.244 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.731 5.244 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.560 3.981 6.450 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.954 6.971 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.676 6.305 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.396 5.877 8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.199 4.619 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.586 6.266 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.111 4.580 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.530 5.813 4.964 1.00 0.00 H new ATOM 496 N THR A 62 -11.084 4.076 4.561 1.00 0.00 N ATOM 497 CA THR A 62 -11.981 3.013 4.027 1.00 0.00 C ATOM 498 C THR A 62 -12.158 3.201 2.519 1.00 0.00 C ATOM 499 O THR A 62 -12.570 2.299 1.816 1.00 0.00 O ATOM 500 CB THR A 62 -13.345 3.103 4.716 1.00 0.00 C ATOM 501 OG1 THR A 62 -14.170 2.036 4.270 1.00 0.00 O ATOM 502 CG2 THR A 62 -14.005 4.440 4.372 1.00 0.00 C ATOM 0 H THR A 62 -11.516 4.713 5.230 1.00 0.00 H new ATOM 0 HA THR A 62 -11.539 2.036 4.220 1.00 0.00 H new ATOM 0 HB THR A 62 -13.213 3.033 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.009 1.875 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.976 4.503 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.371 5.258 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.139 4.513 3.293 1.00 0.00 H new ATOM 510 N LYS A 63 -11.850 4.365 2.016 1.00 0.00 N ATOM 511 CA LYS A 63 -12.001 4.607 0.553 1.00 0.00 C ATOM 512 C LYS A 63 -10.888 3.877 -0.202 1.00 0.00 C ATOM 513 O LYS A 63 -11.130 2.920 -0.910 1.00 0.00 O ATOM 514 CB LYS A 63 -11.910 6.108 0.272 1.00 0.00 C ATOM 515 CG LYS A 63 -13.076 6.530 -0.624 1.00 0.00 C ATOM 516 CD LYS A 63 -13.551 7.927 -0.220 1.00 0.00 C ATOM 517 CE LYS A 63 -15.054 8.049 -0.475 1.00 0.00 C ATOM 518 NZ LYS A 63 -15.389 9.461 -0.813 1.00 0.00 N ATOM 0 H LYS A 63 -11.501 5.158 2.554 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.970 4.234 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.936 6.666 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.962 6.341 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.765 6.528 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.895 5.816 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.334 8.106 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.012 8.685 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.350 7.389 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.610 7.734 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.411 9.543 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.121 10.080 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.869 9.746 -1.667 1.00 0.00 H new ATOM 532 N LEU A 64 -9.669 4.321 -0.056 1.00 0.00 N ATOM 533 CA LEU A 64 -8.544 3.650 -0.766 1.00 0.00 C ATOM 534 C LEU A 64 -8.589 2.147 -0.482 1.00 0.00 C ATOM 535 O LEU A 64 -8.261 1.336 -1.324 1.00 0.00 O ATOM 536 CB LEU A 64 -7.214 4.223 -0.272 1.00 0.00 C ATOM 537 CG LEU A 64 -6.469 4.866 -1.443 1.00 0.00 C ATOM 538 CD1 LEU A 64 -6.294 3.839 -2.563 1.00 0.00 C ATOM 539 CD2 LEU A 64 -7.274 6.057 -1.966 1.00 0.00 C ATOM 0 H LEU A 64 -9.404 5.118 0.523 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.636 3.821 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.392 4.962 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.607 3.433 0.169 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.490 5.207 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.763 4.297 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.721 2.989 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.273 3.497 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.744 6.516 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.253 5.715 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.399 6.790 -1.169 1.00 0.00 H new ATOM 551 N ALA A 65 -8.995 1.770 0.700 1.00 0.00 N ATOM 552 CA ALA A 65 -9.063 0.320 1.036 1.00 0.00 C ATOM 553 C ALA A 65 -10.051 -0.374 0.097 1.00 0.00 C ATOM 554 O ALA A 65 -9.699 -1.284 -0.627 1.00 0.00 O ATOM 555 CB ALA A 65 -9.532 0.154 2.483 1.00 0.00 C ATOM 0 H ALA A 65 -9.282 2.403 1.447 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.076 -0.127 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.582 -0.906 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.829 0.650 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.520 0.601 2.599 1.00 0.00 H new ATOM 561 N ALA A 66 -11.285 0.049 0.102 1.00 0.00 N ATOM 562 CA ALA A 66 -12.294 -0.586 -0.792 1.00 0.00 C ATOM 563 C ALA A 66 -11.796 -0.537 -2.238 1.00 0.00 C ATOM 564 O ALA A 66 -12.179 -1.340 -3.065 1.00 0.00 O ATOM 565 CB ALA A 66 -13.619 0.171 -0.683 1.00 0.00 C ATOM 0 H ALA A 66 -11.638 0.807 0.686 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.443 -1.624 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.358 -0.293 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.974 0.137 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.471 1.209 -0.982 1.00 0.00 H new ATOM 571 N GLU A 67 -10.944 0.401 -2.549 1.00 0.00 N ATOM 572 CA GLU A 67 -10.421 0.503 -3.941 1.00 0.00 C ATOM 573 C GLU A 67 -9.555 -0.718 -4.251 1.00 0.00 C ATOM 574 O GLU A 67 -9.856 -1.498 -5.133 1.00 0.00 O ATOM 575 CB GLU A 67 -9.579 1.773 -4.077 1.00 0.00 C ATOM 576 CG GLU A 67 -9.607 2.252 -5.530 1.00 0.00 C ATOM 577 CD GLU A 67 -9.215 3.729 -5.589 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.904 4.530 -4.979 1.00 0.00 O ATOM 579 OE2 GLU A 67 -8.232 4.035 -6.243 1.00 0.00 O ATOM 0 H GLU A 67 -10.587 1.102 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.256 0.543 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.967 2.551 -3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.552 1.576 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.920 1.658 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.603 2.112 -5.951 1.00 0.00 H new ATOM 586 N LEU A 68 -8.478 -0.891 -3.534 1.00 0.00 N ATOM 587 CA LEU A 68 -7.592 -2.061 -3.790 1.00 0.00 C ATOM 588 C LEU A 68 -8.324 -3.350 -3.411 1.00 0.00 C ATOM 589 O LEU A 68 -7.902 -4.437 -3.754 1.00 0.00 O ATOM 590 CB LEU A 68 -6.320 -1.931 -2.950 1.00 0.00 C ATOM 591 CG LEU A 68 -5.378 -0.918 -3.603 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.024 0.175 -2.594 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.100 -1.629 -4.053 1.00 0.00 C ATOM 0 H LEU A 68 -8.174 -0.272 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.328 -2.091 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.571 -1.611 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.827 -2.899 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.869 -0.469 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.353 0.897 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.934 0.681 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.533 -0.273 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.428 -0.909 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.610 -2.077 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.351 -2.408 -4.772 1.00 0.00 H new ATOM 605 N LYS A 69 -9.417 -3.241 -2.706 1.00 0.00 N ATOM 606 CA LYS A 69 -10.170 -4.464 -2.308 1.00 0.00 C ATOM 607 C LYS A 69 -10.817 -5.088 -3.545 1.00 0.00 C ATOM 608 O LYS A 69 -10.902 -6.293 -3.671 1.00 0.00 O ATOM 609 CB LYS A 69 -11.258 -4.092 -1.298 1.00 0.00 C ATOM 610 CG LYS A 69 -11.701 -5.347 -0.543 1.00 0.00 C ATOM 611 CD LYS A 69 -13.025 -5.073 0.172 1.00 0.00 C ATOM 612 CE LYS A 69 -13.115 -5.938 1.430 1.00 0.00 C ATOM 613 NZ LYS A 69 -14.541 -6.274 1.702 1.00 0.00 N ATOM 0 H LYS A 69 -9.820 -2.359 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.484 -5.179 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.880 -3.347 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.109 -3.644 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.816 -6.180 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.939 -5.637 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.095 -4.018 0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.861 -5.291 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.534 -6.851 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.687 -5.407 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.602 -6.862 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.083 -5.398 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.935 -6.797 0.894 1.00 0.00 H new ATOM 627 N LYS A 70 -11.274 -4.277 -4.460 1.00 0.00 N ATOM 628 CA LYS A 70 -11.912 -4.827 -5.688 1.00 0.00 C ATOM 629 C LYS A 70 -10.833 -5.418 -6.596 1.00 0.00 C ATOM 630 O LYS A 70 -11.110 -6.224 -7.462 1.00 0.00 O ATOM 631 CB LYS A 70 -12.647 -3.707 -6.428 1.00 0.00 C ATOM 632 CG LYS A 70 -13.900 -4.276 -7.098 1.00 0.00 C ATOM 633 CD LYS A 70 -14.728 -3.134 -7.690 1.00 0.00 C ATOM 634 CE LYS A 70 -16.192 -3.296 -7.276 1.00 0.00 C ATOM 635 NZ LYS A 70 -16.826 -1.953 -7.153 1.00 0.00 N ATOM 0 H LYS A 70 -11.233 -3.259 -4.410 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.624 -5.605 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.922 -2.915 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.992 -3.260 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.618 -4.979 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.494 -4.830 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.345 -2.175 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.644 -3.135 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.725 -3.895 -8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.256 -3.828 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.821 -2.063 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.322 -1.396 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.778 -1.461 -8.068 1.00 0.00 H new ATOM 649 N LYS A 71 -9.604 -5.025 -6.404 1.00 0.00 N ATOM 650 CA LYS A 71 -8.508 -5.567 -7.255 1.00 0.00 C ATOM 651 C LYS A 71 -8.340 -7.060 -6.973 1.00 0.00 C ATOM 652 O LYS A 71 -7.950 -7.824 -7.834 1.00 0.00 O ATOM 653 CB LYS A 71 -7.203 -4.835 -6.936 1.00 0.00 C ATOM 654 CG LYS A 71 -7.282 -3.400 -7.459 1.00 0.00 C ATOM 655 CD LYS A 71 -5.885 -2.776 -7.449 1.00 0.00 C ATOM 656 CE LYS A 71 -5.970 -1.322 -7.917 1.00 0.00 C ATOM 657 NZ LYS A 71 -4.677 -0.925 -8.543 1.00 0.00 N ATOM 0 H LYS A 71 -9.312 -4.352 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.756 -5.420 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.029 -4.832 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.361 -5.354 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.688 -3.392 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.959 -2.812 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.462 -2.822 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.219 -3.340 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.784 -1.206 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.193 -0.670 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.786 -0.002 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.943 -0.857 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.398 -1.638 -9.247 1.00 0.00 H new ATOM 671 N CYS A 72 -8.636 -7.483 -5.774 1.00 0.00 N ATOM 672 CA CYS A 72 -8.498 -8.927 -5.438 1.00 0.00 C ATOM 673 C CYS A 72 -9.808 -9.649 -5.760 1.00 0.00 C ATOM 674 O CYS A 72 -9.818 -10.817 -6.096 1.00 0.00 O ATOM 675 CB CYS A 72 -8.182 -9.078 -3.948 1.00 0.00 C ATOM 676 SG CYS A 72 -6.684 -8.143 -3.550 1.00 0.00 S ATOM 0 H CYS A 72 -8.967 -6.890 -5.013 1.00 0.00 H new ATOM 0 HA CYS A 72 -7.689 -9.362 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.018 -8.717 -3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.043 -10.130 -3.700 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.064 -8.717 -2.562 1.00 0.00 H new ATOM 682 N GLY A 73 -10.914 -8.962 -5.663 1.00 0.00 N ATOM 683 CA GLY A 73 -12.223 -9.608 -5.967 1.00 0.00 C ATOM 684 C GLY A 73 -12.824 -10.187 -4.686 1.00 0.00 C ATOM 685 O GLY A 73 -14.010 -10.439 -4.604 1.00 0.00 O ATOM 0 H GLY A 73 -10.968 -7.982 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.906 -8.879 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.086 -10.398 -6.705 1.00 0.00 H new ATOM 689 N CYS A 74 -12.016 -10.401 -3.684 1.00 0.00 N ATOM 690 CA CYS A 74 -12.542 -10.963 -2.410 1.00 0.00 C ATOM 691 C CYS A 74 -11.386 -11.170 -1.432 1.00 0.00 C ATOM 692 O CYS A 74 -10.718 -12.185 -1.449 1.00 0.00 O ATOM 693 CB CYS A 74 -13.224 -12.305 -2.685 1.00 0.00 C ATOM 694 SG CYS A 74 -13.867 -12.984 -1.135 1.00 0.00 S ATOM 0 H CYS A 74 -11.014 -10.211 -3.693 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.266 -10.271 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -14.035 -12.173 -3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.514 -13.001 -3.133 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.448 -14.123 -1.368 1.00 0.00 H new ATOM 700 N GLY A 75 -11.142 -10.215 -0.579 1.00 0.00 N ATOM 701 CA GLY A 75 -10.027 -10.356 0.398 1.00 0.00 C ATOM 702 C GLY A 75 -9.446 -8.976 0.708 1.00 0.00 C ATOM 703 O GLY A 75 -9.479 -8.079 -0.110 1.00 0.00 O ATOM 0 H GLY A 75 -11.667 -9.343 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.388 -10.825 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.252 -11.006 -0.009 1.00 0.00 H new ATOM 707 N GLY A 76 -8.913 -8.800 1.885 1.00 0.00 N ATOM 708 CA GLY A 76 -8.329 -7.479 2.250 1.00 0.00 C ATOM 709 C GLY A 76 -8.249 -7.364 3.772 1.00 0.00 C ATOM 710 O GLY A 76 -8.568 -8.291 4.490 1.00 0.00 O ATOM 0 H GLY A 76 -8.857 -9.515 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.336 -7.375 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.941 -6.673 1.845 1.00 0.00 H new ATOM 714 N ALA A 77 -7.825 -6.237 4.271 1.00 0.00 N ATOM 715 CA ALA A 77 -7.726 -6.072 5.748 1.00 0.00 C ATOM 716 C ALA A 77 -7.222 -4.666 6.075 1.00 0.00 C ATOM 717 O ALA A 77 -6.099 -4.313 5.776 1.00 0.00 O ATOM 718 CB ALA A 77 -6.748 -7.106 6.310 1.00 0.00 C ATOM 0 H ALA A 77 -7.543 -5.425 3.722 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.709 -6.217 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.674 -6.987 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.107 -8.109 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.766 -6.959 5.861 1.00 0.00 H new ATOM 724 N VAL A 78 -8.042 -3.862 6.693 1.00 0.00 N ATOM 725 CA VAL A 78 -7.608 -2.482 7.046 1.00 0.00 C ATOM 726 C VAL A 78 -7.685 -2.305 8.562 1.00 0.00 C ATOM 727 O VAL A 78 -8.516 -2.898 9.222 1.00 0.00 O ATOM 728 CB VAL A 78 -8.525 -1.465 6.364 1.00 0.00 C ATOM 729 CG1 VAL A 78 -9.975 -1.723 6.779 1.00 0.00 C ATOM 730 CG2 VAL A 78 -8.118 -0.052 6.788 1.00 0.00 C ATOM 0 H VAL A 78 -8.994 -4.101 6.969 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.584 -2.323 6.710 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.435 -1.563 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.627 -0.998 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.265 -2.730 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.067 -1.625 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.770 0.675 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.209 0.044 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.085 0.133 6.493 1.00 0.00 H new ATOM 740 N LYS A 79 -6.827 -1.500 9.123 1.00 0.00 N ATOM 741 CA LYS A 79 -6.858 -1.299 10.598 1.00 0.00 C ATOM 742 C LYS A 79 -6.363 0.107 10.939 1.00 0.00 C ATOM 743 O LYS A 79 -5.242 0.295 11.370 1.00 0.00 O ATOM 744 CB LYS A 79 -5.959 -2.337 11.273 1.00 0.00 C ATOM 745 CG LYS A 79 -6.811 -3.252 12.156 1.00 0.00 C ATOM 746 CD LYS A 79 -6.476 -2.998 13.627 1.00 0.00 C ATOM 747 CE LYS A 79 -5.286 -3.867 14.038 1.00 0.00 C ATOM 748 NZ LYS A 79 -5.472 -4.333 15.441 1.00 0.00 N ATOM 0 H LYS A 79 -6.108 -0.974 8.626 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.881 -1.415 10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.435 -2.925 10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.198 -1.839 11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.870 -3.066 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.623 -4.296 11.904 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.241 -1.945 13.781 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.339 -3.226 14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.198 -4.722 13.368 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.360 -3.298 13.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.663 -4.924 15.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.535 -3.511 16.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.347 -4.890 15.509 1.00 0.00 H new ATOM 762 N ASP A 80 -7.194 1.095 10.757 1.00 0.00 N ATOM 763 CA ASP A 80 -6.780 2.489 11.079 1.00 0.00 C ATOM 764 C ASP A 80 -5.420 2.790 10.444 1.00 0.00 C ATOM 765 O ASP A 80 -4.428 2.949 11.126 1.00 0.00 O ATOM 766 CB ASP A 80 -6.681 2.648 12.597 1.00 0.00 C ATOM 767 CG ASP A 80 -6.433 4.117 12.942 1.00 0.00 C ATOM 768 OD1 ASP A 80 -6.435 4.928 12.031 1.00 0.00 O ATOM 769 OD2 ASP A 80 -6.247 4.407 14.113 1.00 0.00 O ATOM 0 H ASP A 80 -8.144 0.997 10.398 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.520 3.185 10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.600 2.303 13.070 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.871 2.031 12.986 1.00 0.00 H new ATOM 774 N GLY A 81 -5.369 2.879 9.143 1.00 0.00 N ATOM 775 CA GLY A 81 -4.075 3.181 8.466 1.00 0.00 C ATOM 776 C GLY A 81 -3.263 1.896 8.294 1.00 0.00 C ATOM 777 O GLY A 81 -2.274 1.868 7.588 1.00 0.00 O ATOM 0 H GLY A 81 -6.167 2.756 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.261 3.636 7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.508 3.904 9.053 1.00 0.00 H new ATOM 781 N VAL A 82 -3.666 0.832 8.931 1.00 0.00 N ATOM 782 CA VAL A 82 -2.907 -0.444 8.797 1.00 0.00 C ATOM 783 C VAL A 82 -3.585 -1.335 7.755 1.00 0.00 C ATOM 784 O VAL A 82 -4.444 -2.133 8.071 1.00 0.00 O ATOM 785 CB VAL A 82 -2.879 -1.166 10.144 1.00 0.00 C ATOM 786 CG1 VAL A 82 -2.084 -2.465 10.008 1.00 0.00 C ATOM 787 CG2 VAL A 82 -2.211 -0.269 11.189 1.00 0.00 C ATOM 0 H VAL A 82 -4.485 0.790 9.537 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.887 -0.227 8.480 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.898 -1.393 10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.063 -2.981 10.968 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.557 -3.104 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.065 -2.237 9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.191 -0.783 12.150 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.191 -0.043 10.876 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.775 0.659 11.286 1.00 0.00 H new ATOM 797 N ILE A 83 -3.203 -1.208 6.513 1.00 0.00 N ATOM 798 CA ILE A 83 -3.824 -2.050 5.452 1.00 0.00 C ATOM 799 C ILE A 83 -2.898 -3.224 5.129 1.00 0.00 C ATOM 800 O ILE A 83 -1.699 -3.151 5.316 1.00 0.00 O ATOM 801 CB ILE A 83 -4.039 -1.208 4.194 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.802 0.067 4.559 1.00 0.00 C ATOM 803 CG2 ILE A 83 -4.848 -2.012 3.174 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.841 1.003 3.350 1.00 0.00 C ATOM 0 H ILE A 83 -2.488 -0.558 6.188 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.784 -2.429 5.803 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.073 -0.943 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.816 -0.181 4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.320 0.563 5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.002 -1.412 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.305 -2.921 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.814 -2.277 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.385 1.911 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.823 1.261 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.343 0.505 2.520 1.00 0.00 H new ATOM 816 N GLU A 84 -3.443 -4.307 4.647 1.00 0.00 N ATOM 817 CA GLU A 84 -2.591 -5.483 4.314 1.00 0.00 C ATOM 818 C GLU A 84 -3.212 -6.253 3.147 1.00 0.00 C ATOM 819 O GLU A 84 -4.181 -6.968 3.308 1.00 0.00 O ATOM 820 CB GLU A 84 -2.491 -6.401 5.534 1.00 0.00 C ATOM 821 CG GLU A 84 -1.778 -7.696 5.142 1.00 0.00 C ATOM 822 CD GLU A 84 -1.132 -8.318 6.381 1.00 0.00 C ATOM 823 OE1 GLU A 84 -1.561 -7.993 7.475 1.00 0.00 O ATOM 824 OE2 GLU A 84 -0.219 -9.110 6.214 1.00 0.00 O ATOM 0 H GLU A 84 -4.440 -4.428 4.470 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.595 -5.140 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.946 -5.901 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.487 -6.623 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.488 -8.395 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.019 -7.492 4.387 1.00 0.00 H new ATOM 831 N ILE A 85 -2.660 -6.113 1.974 1.00 0.00 N ATOM 832 CA ILE A 85 -3.216 -6.839 0.797 1.00 0.00 C ATOM 833 C ILE A 85 -2.104 -7.650 0.130 1.00 0.00 C ATOM 834 O ILE A 85 -1.071 -7.123 -0.232 1.00 0.00 O ATOM 835 CB ILE A 85 -3.783 -5.831 -0.203 1.00 0.00 C ATOM 836 CG1 ILE A 85 -5.063 -5.214 0.368 1.00 0.00 C ATOM 837 CG2 ILE A 85 -4.104 -6.541 -1.519 1.00 0.00 C ATOM 838 CD1 ILE A 85 -5.585 -4.143 -0.592 1.00 0.00 C ATOM 0 H ILE A 85 -1.848 -5.527 1.779 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.010 -7.510 1.124 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.048 -5.046 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.818 -5.986 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.863 -4.775 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.508 -5.822 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.194 -6.982 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.839 -7.326 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.496 -3.703 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.831 -3.366 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.801 -4.596 -1.560 1.00 0.00 H new ATOM 850 N GLN A 86 -2.305 -8.929 -0.033 1.00 0.00 N ATOM 851 CA GLN A 86 -1.256 -9.771 -0.676 1.00 0.00 C ATOM 852 C GLN A 86 -1.105 -9.365 -2.143 1.00 0.00 C ATOM 853 O GLN A 86 -2.011 -8.823 -2.744 1.00 0.00 O ATOM 854 CB GLN A 86 -1.662 -11.244 -0.592 1.00 0.00 C ATOM 855 CG GLN A 86 -0.417 -12.103 -0.360 1.00 0.00 C ATOM 856 CD GLN A 86 -0.792 -13.582 -0.459 1.00 0.00 C ATOM 857 OE1 GLN A 86 -1.866 -13.920 -0.914 1.00 0.00 O ATOM 858 NE2 GLN A 86 0.056 -14.486 -0.048 1.00 0.00 N ATOM 0 H GLN A 86 -3.149 -9.427 0.251 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.307 -9.627 -0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.374 -11.390 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.161 -11.548 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 86 0.348 -11.861 -1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.008 -11.889 0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 86 0.958 -14.203 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -0.184 -15.476 -0.109 1.00 0.00 H new ATOM 867 N GLY A 87 0.035 -9.622 -2.724 1.00 0.00 N ATOM 868 CA GLY A 87 0.244 -9.249 -4.152 1.00 0.00 C ATOM 869 C GLY A 87 1.674 -8.743 -4.344 1.00 0.00 C ATOM 870 O GLY A 87 2.209 -8.035 -3.514 1.00 0.00 O ATOM 0 H GLY A 87 0.830 -10.074 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.063 -10.111 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.468 -8.478 -4.445 1.00 0.00 H new ATOM 874 N ASP A 88 2.300 -9.100 -5.433 1.00 0.00 N ATOM 875 CA ASP A 88 3.695 -8.638 -5.675 1.00 0.00 C ATOM 876 C ASP A 88 3.715 -7.673 -6.862 1.00 0.00 C ATOM 877 O ASP A 88 4.473 -7.840 -7.798 1.00 0.00 O ATOM 878 CB ASP A 88 4.586 -9.843 -5.982 1.00 0.00 C ATOM 879 CG ASP A 88 5.502 -10.119 -4.789 1.00 0.00 C ATOM 880 OD1 ASP A 88 5.170 -9.683 -3.699 1.00 0.00 O ATOM 881 OD2 ASP A 88 6.521 -10.761 -4.985 1.00 0.00 O ATOM 0 H ASP A 88 1.905 -9.691 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 88 4.067 -8.128 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.972 -10.718 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.182 -9.650 -6.874 1.00 0.00 H new ATOM 886 N LYS A 89 2.889 -6.664 -6.833 1.00 0.00 N ATOM 887 CA LYS A 89 2.862 -5.689 -7.960 1.00 0.00 C ATOM 888 C LYS A 89 3.170 -4.288 -7.429 1.00 0.00 C ATOM 889 O LYS A 89 2.557 -3.316 -7.823 1.00 0.00 O ATOM 890 CB LYS A 89 1.476 -5.697 -8.608 1.00 0.00 C ATOM 891 CG LYS A 89 1.559 -6.361 -9.983 1.00 0.00 C ATOM 892 CD LYS A 89 0.198 -6.273 -10.677 1.00 0.00 C ATOM 893 CE LYS A 89 0.228 -7.093 -11.968 1.00 0.00 C ATOM 894 NZ LYS A 89 -0.249 -8.476 -11.688 1.00 0.00 N ATOM 0 H LYS A 89 2.231 -6.472 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 89 3.611 -5.969 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.770 -6.235 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.103 -4.677 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.320 -5.871 -10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.858 -7.404 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.584 -6.646 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.042 -5.233 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.403 -6.625 -12.724 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.240 -7.120 -12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.229 -9.034 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.370 -8.920 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.222 -8.440 -11.323 1.00 0.00 H new ATOM 908 N ARG A 90 4.116 -4.176 -6.537 1.00 0.00 N ATOM 909 CA ARG A 90 4.464 -2.838 -5.981 1.00 0.00 C ATOM 910 C ARG A 90 4.831 -1.890 -7.124 1.00 0.00 C ATOM 911 O ARG A 90 4.670 -0.690 -7.024 1.00 0.00 O ATOM 912 CB ARG A 90 5.654 -2.975 -5.030 1.00 0.00 C ATOM 913 CG ARG A 90 6.836 -3.597 -5.777 1.00 0.00 C ATOM 914 CD ARG A 90 8.039 -3.699 -4.836 1.00 0.00 C ATOM 915 NE ARG A 90 9.183 -4.322 -5.560 1.00 0.00 N ATOM 916 CZ ARG A 90 9.447 -3.970 -6.788 1.00 0.00 C ATOM 917 NH1 ARG A 90 9.885 -2.767 -7.043 1.00 0.00 N ATOM 918 NH2 ARG A 90 9.274 -4.821 -7.763 1.00 0.00 N ATOM 0 H ARG A 90 4.663 -4.954 -6.169 1.00 0.00 H new ATOM 0 HA ARG A 90 3.609 -2.437 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.933 -1.998 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.382 -3.596 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.566 -4.586 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.091 -2.990 -6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.318 -2.709 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.780 -4.295 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 90 9.759 -5.024 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.021 -2.102 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.091 -2.492 -8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.932 -5.761 -7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.481 -4.545 -8.723 1.00 0.00 H new ATOM 932 N ASP A 91 5.325 -2.418 -8.211 1.00 0.00 N ATOM 933 CA ASP A 91 5.703 -1.546 -9.358 1.00 0.00 C ATOM 934 C ASP A 91 4.483 -0.743 -9.812 1.00 0.00 C ATOM 935 O ASP A 91 4.557 0.453 -10.019 1.00 0.00 O ATOM 936 CB ASP A 91 6.201 -2.414 -10.516 1.00 0.00 C ATOM 937 CG ASP A 91 7.263 -1.648 -11.307 1.00 0.00 C ATOM 938 OD1 ASP A 91 7.566 -0.530 -10.924 1.00 0.00 O ATOM 939 OD2 ASP A 91 7.755 -2.192 -12.282 1.00 0.00 O ATOM 0 H ASP A 91 5.483 -3.416 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 91 6.494 -0.862 -9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.619 -3.345 -10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.369 -2.682 -11.168 1.00 0.00 H new ATOM 944 N LEU A 92 3.360 -1.388 -9.970 1.00 0.00 N ATOM 945 CA LEU A 92 2.138 -0.660 -10.411 1.00 0.00 C ATOM 946 C LEU A 92 1.592 0.173 -9.249 1.00 0.00 C ATOM 947 O LEU A 92 1.045 1.241 -9.441 1.00 0.00 O ATOM 948 CB LEU A 92 1.077 -1.668 -10.859 1.00 0.00 C ATOM 949 CG LEU A 92 -0.199 -0.924 -11.257 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.741 -1.502 -12.565 1.00 0.00 C ATOM 951 CD2 LEU A 92 -1.248 -1.089 -10.155 1.00 0.00 C ATOM 0 H LEU A 92 3.236 -2.388 -9.813 1.00 0.00 H new ATOM 0 HA LEU A 92 2.388 -0.002 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.448 -2.252 -11.701 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.865 -2.371 -10.053 1.00 0.00 H new ATOM 0 HG LEU A 92 0.025 0.134 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.650 -0.972 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.006 -1.387 -13.351 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.965 -2.560 -12.430 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.158 -0.559 -10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.471 -2.147 -10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.863 -0.678 -9.222 1.00 0.00 H new ATOM 963 N LEU A 93 1.737 -0.307 -8.044 1.00 0.00 N ATOM 964 CA LEU A 93 1.226 0.458 -6.872 1.00 0.00 C ATOM 965 C LEU A 93 1.840 1.859 -6.871 1.00 0.00 C ATOM 966 O LEU A 93 1.187 2.833 -6.552 1.00 0.00 O ATOM 967 CB LEU A 93 1.612 -0.269 -5.582 1.00 0.00 C ATOM 968 CG LEU A 93 0.374 -0.939 -4.983 1.00 0.00 C ATOM 969 CD1 LEU A 93 -0.647 0.131 -4.593 1.00 0.00 C ATOM 970 CD2 LEU A 93 -0.246 -1.880 -6.019 1.00 0.00 C ATOM 0 H LEU A 93 2.187 -1.195 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 93 0.141 0.537 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.379 -1.016 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.038 0.436 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 93 0.660 -1.508 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.529 -0.346 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.206 0.803 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.934 0.699 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.128 -2.358 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.532 -1.310 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.481 -2.643 -6.299 1.00 0.00 H new ATOM 982 N LYS A 94 3.091 1.970 -7.224 1.00 0.00 N ATOM 983 CA LYS A 94 3.744 3.309 -7.243 1.00 0.00 C ATOM 984 C LYS A 94 2.909 4.271 -8.090 1.00 0.00 C ATOM 985 O LYS A 94 2.602 5.371 -7.675 1.00 0.00 O ATOM 986 CB LYS A 94 5.146 3.184 -7.844 1.00 0.00 C ATOM 987 CG LYS A 94 6.018 4.341 -7.352 1.00 0.00 C ATOM 988 CD LYS A 94 7.322 4.374 -8.150 1.00 0.00 C ATOM 989 CE LYS A 94 7.662 5.820 -8.516 1.00 0.00 C ATOM 990 NZ LYS A 94 8.847 5.838 -9.419 1.00 0.00 N ATOM 0 H LYS A 94 3.689 1.191 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 94 3.818 3.692 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.592 2.231 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.089 3.195 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.486 5.285 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.232 4.222 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.130 3.937 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.223 3.773 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.811 6.292 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.870 6.396 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.079 6.821 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.659 5.403 -8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.632 5.303 -10.284 1.00 0.00 H new ATOM 1004 N SER A 95 2.539 3.866 -9.274 1.00 0.00 N ATOM 1005 CA SER A 95 1.724 4.759 -10.145 1.00 0.00 C ATOM 1006 C SER A 95 0.330 4.927 -9.539 1.00 0.00 C ATOM 1007 O SER A 95 -0.315 5.942 -9.714 1.00 0.00 O ATOM 1008 CB SER A 95 1.603 4.139 -11.538 1.00 0.00 C ATOM 1009 OG SER A 95 1.321 5.162 -12.484 1.00 0.00 O ATOM 0 H SER A 95 2.766 2.956 -9.676 1.00 0.00 H new ATOM 0 HA SER A 95 2.207 5.733 -10.221 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.529 3.628 -11.803 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.811 3.390 -11.548 1.00 0.00 H new ATOM 0 HG SER A 95 1.244 4.769 -13.378 1.00 0.00 H new ATOM 1015 N LEU A 96 -0.141 3.940 -8.826 1.00 0.00 N ATOM 1016 CA LEU A 96 -1.493 4.045 -8.209 1.00 0.00 C ATOM 1017 C LEU A 96 -1.540 5.268 -7.291 1.00 0.00 C ATOM 1018 O LEU A 96 -2.420 6.099 -7.394 1.00 0.00 O ATOM 1019 CB LEU A 96 -1.780 2.783 -7.393 1.00 0.00 C ATOM 1020 CG LEU A 96 -3.037 2.996 -6.549 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -3.829 1.689 -6.472 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.635 3.431 -5.138 1.00 0.00 C ATOM 0 H LEU A 96 0.352 3.066 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.244 4.149 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.916 1.930 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.931 2.553 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.655 3.768 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.725 1.841 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.115 1.377 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.212 0.916 -6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.530 3.583 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.017 2.658 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.071 4.362 -5.191 1.00 0.00 H new ATOM 1034 N LEU A 97 -0.600 5.385 -6.394 1.00 0.00 N ATOM 1035 CA LEU A 97 -0.592 6.555 -5.471 1.00 0.00 C ATOM 1036 C LEU A 97 -0.187 7.811 -6.245 1.00 0.00 C ATOM 1037 O LEU A 97 -0.630 8.903 -5.950 1.00 0.00 O ATOM 1038 CB LEU A 97 0.410 6.306 -4.342 1.00 0.00 C ATOM 1039 CG LEU A 97 -0.155 6.850 -3.029 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -0.884 5.730 -2.283 1.00 0.00 C ATOM 1041 CD2 LEU A 97 0.990 7.377 -2.161 1.00 0.00 C ATOM 0 H LEU A 97 0.163 4.721 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.588 6.693 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.611 5.239 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.359 6.791 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.853 7.659 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.287 6.118 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.699 5.353 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.186 4.921 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.588 7.765 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.688 6.567 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.511 8.175 -2.691 1.00 0.00 H new ATOM 1053 N GLU A 98 0.653 7.666 -7.233 1.00 0.00 N ATOM 1054 CA GLU A 98 1.085 8.852 -8.024 1.00 0.00 C ATOM 1055 C GLU A 98 -0.075 9.331 -8.899 1.00 0.00 C ATOM 1056 O GLU A 98 -0.055 10.423 -9.432 1.00 0.00 O ATOM 1057 CB GLU A 98 2.270 8.468 -8.913 1.00 0.00 C ATOM 1058 CG GLU A 98 2.734 9.694 -9.702 1.00 0.00 C ATOM 1059 CD GLU A 98 4.025 9.360 -10.452 1.00 0.00 C ATOM 1060 OE1 GLU A 98 4.466 8.226 -10.356 1.00 0.00 O ATOM 1061 OE2 GLU A 98 4.552 10.243 -11.108 1.00 0.00 O ATOM 0 H GLU A 98 1.059 6.777 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 98 1.383 9.652 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.087 8.085 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.982 7.670 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.961 10.000 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.900 10.533 -9.026 1.00 0.00 H new ATOM 1068 N ALA A 99 -1.088 8.522 -9.052 1.00 0.00 N ATOM 1069 CA ALA A 99 -2.248 8.931 -9.893 1.00 0.00 C ATOM 1070 C ALA A 99 -2.935 10.142 -9.258 1.00 0.00 C ATOM 1071 O ALA A 99 -3.489 10.982 -9.940 1.00 0.00 O ATOM 1072 CB ALA A 99 -3.243 7.773 -9.989 1.00 0.00 C ATOM 0 H ALA A 99 -1.162 7.596 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.898 9.193 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.091 8.072 -10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.754 6.910 -10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.593 7.511 -8.991 1.00 0.00 H new ATOM 1078 N LYS A 100 -2.905 10.238 -7.957 1.00 0.00 N ATOM 1079 CA LYS A 100 -3.557 11.395 -7.280 1.00 0.00 C ATOM 1080 C LYS A 100 -2.522 12.496 -7.042 1.00 0.00 C ATOM 1081 O LYS A 100 -2.859 13.646 -6.842 1.00 0.00 O ATOM 1082 CB LYS A 100 -4.136 10.941 -5.939 1.00 0.00 C ATOM 1083 CG LYS A 100 -5.449 10.193 -6.176 1.00 0.00 C ATOM 1084 CD LYS A 100 -5.690 9.207 -5.031 1.00 0.00 C ATOM 1085 CE LYS A 100 -6.496 8.013 -5.546 1.00 0.00 C ATOM 1086 NZ LYS A 100 -7.835 7.999 -4.892 1.00 0.00 N ATOM 0 H LYS A 100 -2.458 9.566 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.359 11.780 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.425 10.295 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.308 11.803 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.276 10.900 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.410 9.660 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.738 8.868 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.227 9.699 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.609 8.076 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.966 7.084 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.304 7.090 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.721 8.124 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.416 8.773 -5.273 1.00 0.00 H new ATOM 1100 N GLY A 101 -1.262 12.154 -7.063 1.00 0.00 N ATOM 1101 CA GLY A 101 -0.207 13.182 -6.838 1.00 0.00 C ATOM 1102 C GLY A 101 0.288 13.099 -5.393 1.00 0.00 C ATOM 1103 O GLY A 101 0.971 13.979 -4.910 1.00 0.00 O ATOM 0 H GLY A 101 -0.918 11.208 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.622 13.024 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.604 14.176 -7.041 1.00 0.00 H new ATOM 1107 N MET A 102 -0.051 12.047 -4.700 1.00 0.00 N ATOM 1108 CA MET A 102 0.401 11.909 -3.287 1.00 0.00 C ATOM 1109 C MET A 102 1.853 11.430 -3.260 1.00 0.00 C ATOM 1110 O MET A 102 2.338 10.834 -4.202 1.00 0.00 O ATOM 1111 CB MET A 102 -0.485 10.891 -2.565 1.00 0.00 C ATOM 1112 CG MET A 102 -1.857 11.510 -2.292 1.00 0.00 C ATOM 1113 SD MET A 102 -2.350 11.159 -0.586 1.00 0.00 S ATOM 1114 CE MET A 102 -2.496 9.363 -0.758 1.00 0.00 C ATOM 0 H MET A 102 -0.621 11.277 -5.051 1.00 0.00 H new ATOM 0 HA MET A 102 0.328 12.875 -2.787 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.594 9.993 -3.173 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.019 10.587 -1.628 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.821 12.587 -2.457 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.595 11.106 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.059 8.961 0.085 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.016 9.127 -1.687 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.502 8.917 -0.776 1.00 0.00 H new ATOM 1124 N LYS A 103 2.552 11.684 -2.188 1.00 0.00 N ATOM 1125 CA LYS A 103 3.973 11.243 -2.102 1.00 0.00 C ATOM 1126 C LYS A 103 4.026 9.771 -1.689 1.00 0.00 C ATOM 1127 O LYS A 103 3.366 9.353 -0.759 1.00 0.00 O ATOM 1128 CB LYS A 103 4.709 12.091 -1.063 1.00 0.00 C ATOM 1129 CG LYS A 103 6.142 12.347 -1.534 1.00 0.00 C ATOM 1130 CD LYS A 103 6.889 13.163 -0.477 1.00 0.00 C ATOM 1131 CE LYS A 103 8.200 13.684 -1.067 1.00 0.00 C ATOM 1132 NZ LYS A 103 9.099 14.130 0.036 1.00 0.00 N ATOM 0 H LYS A 103 2.201 12.178 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 103 4.450 11.365 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.189 13.038 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.717 11.579 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.654 11.400 -1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.134 12.883 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.272 13.997 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.092 12.546 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.684 12.902 -1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.001 14.513 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.991 14.484 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.636 14.889 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.298 13.328 0.668 1.00 0.00 H new ATOM 1146 N VAL A 104 4.807 8.981 -2.374 1.00 0.00 N ATOM 1147 CA VAL A 104 4.901 7.536 -2.020 1.00 0.00 C ATOM 1148 C VAL A 104 6.371 7.113 -1.991 1.00 0.00 C ATOM 1149 O VAL A 104 7.166 7.539 -2.805 1.00 0.00 O ATOM 1150 CB VAL A 104 4.152 6.706 -3.063 1.00 0.00 C ATOM 1151 CG1 VAL A 104 4.871 6.807 -4.410 1.00 0.00 C ATOM 1152 CG2 VAL A 104 4.112 5.243 -2.616 1.00 0.00 C ATOM 0 H VAL A 104 5.384 9.273 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 104 4.456 7.372 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 104 3.135 7.084 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.337 6.215 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.901 7.849 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.888 6.429 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.578 4.650 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.130 4.866 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.600 5.170 -1.657 1.00 0.00 H new ATOM 1162 N LYS A 105 6.739 6.277 -1.059 1.00 0.00 N ATOM 1163 CA LYS A 105 8.157 5.828 -0.979 1.00 0.00 C ATOM 1164 C LYS A 105 8.231 4.322 -1.239 1.00 0.00 C ATOM 1165 O LYS A 105 8.001 3.518 -0.357 1.00 0.00 O ATOM 1166 CB LYS A 105 8.711 6.133 0.414 1.00 0.00 C ATOM 1167 CG LYS A 105 10.090 6.784 0.284 1.00 0.00 C ATOM 1168 CD LYS A 105 10.649 7.078 1.678 1.00 0.00 C ATOM 1169 CE LYS A 105 12.064 7.645 1.551 1.00 0.00 C ATOM 1170 NZ LYS A 105 12.247 8.748 2.537 1.00 0.00 N ATOM 0 H LYS A 105 6.119 5.886 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 105 8.748 6.355 -1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.033 6.797 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.784 5.215 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.766 6.123 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 105 10.016 7.707 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.006 7.789 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.663 6.166 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 105 12.799 6.860 1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 105 12.229 8.016 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 13.209 9.134 2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.554 9.500 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 12.106 8.380 3.500 1.00 0.00 H new ATOM 1184 N LEU A 106 8.549 3.933 -2.443 1.00 0.00 N ATOM 1185 CA LEU A 106 8.636 2.479 -2.757 1.00 0.00 C ATOM 1186 C LEU A 106 9.419 1.765 -1.654 1.00 0.00 C ATOM 1187 O LEU A 106 9.235 0.588 -1.411 1.00 0.00 O ATOM 1188 CB LEU A 106 9.353 2.289 -4.096 1.00 0.00 C ATOM 1189 CG LEU A 106 9.204 0.837 -4.553 1.00 0.00 C ATOM 1190 CD1 LEU A 106 7.736 0.548 -4.868 1.00 0.00 C ATOM 1191 CD2 LEU A 106 10.048 0.610 -5.810 1.00 0.00 C ATOM 0 H LEU A 106 8.752 4.559 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 106 7.632 2.060 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.933 2.962 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.408 2.543 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 106 9.543 0.171 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.631 -0.487 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.133 0.710 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.396 1.214 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.943 -0.424 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.708 1.277 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.095 0.815 -5.587 1.00 0.00 H new ATOM 1203 N ALA A 107 10.292 2.466 -0.983 1.00 0.00 N ATOM 1204 CA ALA A 107 11.085 1.826 0.103 1.00 0.00 C ATOM 1205 C ALA A 107 12.010 0.766 -0.497 1.00 0.00 C ATOM 1206 O ALA A 107 11.834 -0.418 -0.285 1.00 0.00 O ATOM 1207 CB ALA A 107 10.137 1.167 1.107 1.00 0.00 C ATOM 0 H ALA A 107 10.490 3.454 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 107 11.682 2.583 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.717 0.699 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.478 1.922 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.539 0.410 0.600 1.00 0.00 H new