USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 586 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 75 SER OG : rot 180:sc= 0.048 USER MOD Set 1.2: A 82 ASN : amide:sc= -0.093 K(o=-0.045,f=-1) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0.828) USER MOD Single : A 19 MET CE :methyl -146:sc= 0 (180deg=-0.244) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.62) USER MOD Single : A 42 ASN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -20:sc= 0.758 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.215 K(o=0.22,f=-6.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 1.07 K(o=1.1,f=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -4.940 -6.138 -10.065 1.00 0.00 N ATOM 82 CA TYR A 9 -3.698 -5.381 -9.959 1.00 0.00 C ATOM 83 C TYR A 9 -2.682 -5.900 -10.978 1.00 0.00 C ATOM 84 O TYR A 9 -2.646 -7.097 -11.275 1.00 0.00 O ATOM 85 CB TYR A 9 -3.140 -5.476 -8.533 1.00 0.00 C ATOM 86 CG TYR A 9 -4.139 -5.182 -7.426 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.511 -3.858 -7.126 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.722 -6.246 -6.714 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.467 -3.599 -6.125 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.679 -5.995 -5.716 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.060 -4.670 -5.421 1.00 0.00 C ATOM 92 OH TYR A 9 -7.031 -4.439 -4.496 1.00 0.00 O ATOM 0 HA TYR A 9 -3.899 -4.332 -10.176 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.740 -6.479 -8.383 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.304 -4.782 -8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.061 -3.038 -7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.432 -7.262 -6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.747 -2.581 -5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.123 -6.817 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.326 -5.291 -4.111 1.00 0.00 H new ATOM 102 N LYS A 10 -1.815 -5.024 -11.484 1.00 0.00 N ATOM 103 CA LYS A 10 -0.733 -5.329 -12.417 1.00 0.00 C ATOM 104 C LYS A 10 0.545 -4.623 -11.985 1.00 0.00 C ATOM 105 O LYS A 10 0.484 -3.679 -11.197 1.00 0.00 O ATOM 106 CB LYS A 10 -1.146 -4.939 -13.842 1.00 0.00 C ATOM 107 CG LYS A 10 -2.344 -5.782 -14.302 1.00 0.00 C ATOM 108 CD LYS A 10 -2.578 -5.672 -15.811 1.00 0.00 C ATOM 109 CE LYS A 10 -3.287 -6.909 -16.381 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.323 -7.909 -16.886 1.00 0.00 N ATOM 0 H LYS A 10 -1.851 -4.034 -11.242 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.536 -6.401 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.404 -3.880 -13.876 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.308 -5.085 -14.523 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.176 -6.826 -14.036 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.240 -5.458 -13.772 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.175 -4.785 -16.020 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.621 -5.539 -16.316 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.908 -7.361 -15.608 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.954 -6.606 -17.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.839 -8.729 -17.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.747 -7.486 -17.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.703 -8.217 -16.110 1.00 0.00 H new ATOM 124 N ALA A 11 1.691 -5.139 -12.436 1.00 0.00 N ATOM 125 CA ALA A 11 2.996 -4.667 -11.998 1.00 0.00 C ATOM 126 C ALA A 11 3.173 -3.203 -12.375 1.00 0.00 C ATOM 127 O ALA A 11 2.873 -2.808 -13.504 1.00 0.00 O ATOM 128 CB ALA A 11 4.097 -5.541 -12.589 1.00 0.00 C ATOM 0 H ALA A 11 1.734 -5.897 -13.117 1.00 0.00 H new ATOM 0 HA ALA A 11 3.064 -4.742 -10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.069 -5.178 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.961 -6.571 -12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.050 -5.500 -13.677 1.00 0.00 H new ATOM 134 N GLY A 12 3.668 -2.408 -11.429 1.00 0.00 N ATOM 135 CA GLY A 12 3.587 -0.962 -11.528 1.00 0.00 C ATOM 136 C GLY A 12 2.241 -0.482 -10.995 1.00 0.00 C ATOM 137 O GLY A 12 1.580 0.340 -11.634 1.00 0.00 O ATOM 0 H GLY A 12 4.130 -2.747 -10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.397 -0.504 -10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.709 -0.652 -12.566 1.00 0.00 H new ATOM 141 N ASP A 13 1.838 -0.979 -9.820 1.00 0.00 N ATOM 142 CA ASP A 13 0.811 -0.346 -8.999 1.00 0.00 C ATOM 143 C ASP A 13 1.231 -0.343 -7.542 1.00 0.00 C ATOM 144 O ASP A 13 2.250 -0.938 -7.171 1.00 0.00 O ATOM 145 CB ASP A 13 -0.578 -0.992 -9.111 1.00 0.00 C ATOM 146 CG ASP A 13 -1.632 0.116 -9.128 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.682 0.918 -10.086 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.347 0.297 -8.117 1.00 0.00 O ATOM 0 H ASP A 13 2.219 -1.834 -9.415 1.00 0.00 H new ATOM 0 HA ASP A 13 0.720 0.669 -9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.644 -1.591 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.751 -1.665 -8.272 1.00 0.00 H new ATOM 153 N LEU A 14 0.419 0.311 -6.716 1.00 0.00 N ATOM 154 CA LEU A 14 0.613 0.524 -5.297 1.00 0.00 C ATOM 155 C LEU A 14 -0.629 -0.004 -4.616 1.00 0.00 C ATOM 156 O LEU A 14 -1.739 0.194 -5.126 1.00 0.00 O ATOM 157 CB LEU A 14 0.761 2.023 -5.007 1.00 0.00 C ATOM 158 CG LEU A 14 1.903 2.716 -5.763 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.004 4.158 -5.271 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.233 1.975 -5.591 1.00 0.00 C ATOM 0 H LEU A 14 -0.448 0.732 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 14 1.512 0.021 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.176 2.521 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.918 2.158 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 14 1.684 2.705 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.811 4.667 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.064 4.675 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.209 4.164 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.015 2.498 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.496 1.939 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.136 0.960 -5.975 1.00 0.00 H new ATOM 172 N VAL A 15 -0.473 -0.666 -3.475 1.00 0.00 N ATOM 173 CA VAL A 15 -1.571 -1.291 -2.756 1.00 0.00 C ATOM 174 C VAL A 15 -1.324 -1.149 -1.247 1.00 0.00 C ATOM 175 O VAL A 15 -0.248 -0.725 -0.819 1.00 0.00 O ATOM 176 CB VAL A 15 -1.739 -2.740 -3.269 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.073 -2.746 -4.781 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.501 -3.608 -2.989 1.00 0.00 C ATOM 0 H VAL A 15 0.432 -0.784 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.527 -0.800 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.571 -3.179 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.188 -3.774 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.002 -2.201 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.265 -2.267 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.670 -4.616 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.367 -3.174 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.322 -3.650 -1.915 1.00 0.00 H new ATOM 188 N PHE A 16 -2.296 -1.518 -0.417 1.00 0.00 N ATOM 189 CA PHE A 16 -1.969 -1.981 0.928 1.00 0.00 C ATOM 190 C PHE A 16 -2.157 -3.489 0.943 1.00 0.00 C ATOM 191 O PHE A 16 -2.916 -4.030 0.132 1.00 0.00 O ATOM 192 CB PHE A 16 -2.804 -1.273 1.999 1.00 0.00 C ATOM 193 CG PHE A 16 -2.556 0.222 2.055 1.00 0.00 C ATOM 194 CD1 PHE A 16 -3.308 1.084 1.240 1.00 0.00 C ATOM 195 CD2 PHE A 16 -1.562 0.749 2.901 1.00 0.00 C ATOM 196 CE1 PHE A 16 -3.065 2.466 1.265 1.00 0.00 C ATOM 197 CE2 PHE A 16 -1.312 2.132 2.917 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.060 2.992 2.094 1.00 0.00 C ATOM 0 H PHE A 16 -3.291 -1.507 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.936 -1.735 1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.861 -1.453 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.580 -1.709 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.074 0.683 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.991 0.090 3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.652 3.127 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.545 2.534 3.562 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.863 4.054 2.099 1.00 0.00 H new ATOM 208 N ALA A 17 -1.469 -4.153 1.868 1.00 0.00 N ATOM 209 CA ALA A 17 -1.548 -5.584 2.103 1.00 0.00 C ATOM 210 C ALA A 17 -1.785 -5.811 3.598 1.00 0.00 C ATOM 211 O ALA A 17 -1.388 -4.984 4.425 1.00 0.00 O ATOM 212 CB ALA A 17 -0.246 -6.234 1.630 1.00 0.00 C ATOM 0 H ALA A 17 -0.816 -3.686 2.497 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.371 -6.036 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.293 -7.309 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.109 -6.042 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.593 -5.815 2.185 1.00 0.00 H new ATOM 218 N LYS A 18 -2.387 -6.942 3.974 1.00 0.00 N ATOM 219 CA LYS A 18 -2.678 -7.263 5.369 1.00 0.00 C ATOM 220 C LYS A 18 -2.135 -8.654 5.632 1.00 0.00 C ATOM 221 O LYS A 18 -2.709 -9.642 5.181 1.00 0.00 O ATOM 222 CB LYS A 18 -4.200 -7.155 5.612 1.00 0.00 C ATOM 223 CG LYS A 18 -4.593 -7.027 7.093 1.00 0.00 C ATOM 224 CD LYS A 18 -4.019 -5.739 7.710 1.00 0.00 C ATOM 225 CE LYS A 18 -4.964 -5.027 8.687 1.00 0.00 C ATOM 226 NZ LYS A 18 -5.010 -5.629 10.035 1.00 0.00 N ATOM 0 H LYS A 18 -2.686 -7.661 3.316 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.204 -6.567 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.583 -6.290 5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.687 -8.035 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.679 -7.025 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.228 -7.893 7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.093 -5.982 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.761 -5.050 6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.657 -3.985 8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.970 -5.027 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.426 -4.950 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.591 -6.492 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.046 -5.870 10.341 1.00 0.00 H new ATOM 240 N MET A 19 -1.028 -8.738 6.363 1.00 0.00 N ATOM 241 CA MET A 19 -0.549 -10.001 6.911 1.00 0.00 C ATOM 242 C MET A 19 -1.233 -10.248 8.252 1.00 0.00 C ATOM 243 O MET A 19 -1.853 -9.345 8.825 1.00 0.00 O ATOM 244 CB MET A 19 0.980 -9.979 7.037 1.00 0.00 C ATOM 245 CG MET A 19 1.628 -10.256 5.679 1.00 0.00 C ATOM 246 SD MET A 19 3.410 -10.571 5.740 1.00 0.00 S ATOM 247 CE MET A 19 4.028 -8.979 6.336 1.00 0.00 C ATOM 0 H MET A 19 -0.440 -7.936 6.591 1.00 0.00 H new ATOM 0 HA MET A 19 -0.800 -10.824 6.241 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.307 -9.009 7.413 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.303 -10.727 7.761 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.136 -11.117 5.226 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.446 -9.404 5.024 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.000 -8.775 5.887 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.328 -8.190 6.060 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.129 -9.011 7.421 1.00 0.00 H new ATOM 257 N LYS A 20 -1.105 -11.470 8.765 1.00 0.00 N ATOM 258 CA LYS A 20 -1.641 -11.889 10.050 1.00 0.00 C ATOM 259 C LYS A 20 -1.114 -10.944 11.127 1.00 0.00 C ATOM 260 O LYS A 20 0.096 -10.727 11.229 1.00 0.00 O ATOM 261 CB LYS A 20 -1.242 -13.356 10.307 1.00 0.00 C ATOM 262 CG LYS A 20 -2.035 -14.002 11.454 1.00 0.00 C ATOM 263 CD LYS A 20 -3.478 -14.393 11.080 1.00 0.00 C ATOM 264 CE LYS A 20 -3.647 -15.870 10.694 1.00 0.00 C ATOM 265 NZ LYS A 20 -2.954 -16.256 9.448 1.00 0.00 N ATOM 0 H LYS A 20 -0.609 -12.217 8.279 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.730 -11.839 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.396 -13.934 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.178 -13.402 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.505 -14.893 11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.064 -13.310 12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.133 -14.171 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.808 -13.771 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.276 -16.491 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.710 -16.086 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.117 -17.265 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.323 -15.691 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.934 -16.084 9.551 1.00 0.00 H new ATOM 279 N GLY A 21 -2.017 -10.345 11.901 1.00 0.00 N ATOM 280 CA GLY A 21 -1.716 -9.498 13.048 1.00 0.00 C ATOM 281 C GLY A 21 -1.222 -8.091 12.705 1.00 0.00 C ATOM 282 O GLY A 21 -1.534 -7.145 13.435 1.00 0.00 O ATOM 0 H GLY A 21 -3.019 -10.442 11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.613 -9.412 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.960 -9.993 13.657 1.00 0.00 H new ATOM 286 N TYR A 22 -0.480 -7.918 11.612 1.00 0.00 N ATOM 287 CA TYR A 22 0.029 -6.626 11.158 1.00 0.00 C ATOM 288 C TYR A 22 -1.104 -5.663 10.770 1.00 0.00 C ATOM 289 O TYR A 22 -2.229 -6.099 10.508 1.00 0.00 O ATOM 290 CB TYR A 22 1.002 -6.869 9.989 1.00 0.00 C ATOM 291 CG TYR A 22 2.375 -7.333 10.447 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.148 -6.509 11.289 1.00 0.00 C ATOM 293 CD2 TYR A 22 2.893 -8.576 10.035 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.425 -6.913 11.708 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.184 -8.974 10.421 1.00 0.00 C ATOM 296 CZ TYR A 22 4.954 -8.139 11.258 1.00 0.00 C ATOM 297 OH TYR A 22 6.188 -8.523 11.678 1.00 0.00 O ATOM 0 H TYR A 22 -0.210 -8.691 11.004 1.00 0.00 H new ATOM 0 HA TYR A 22 0.560 -6.140 11.977 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.577 -7.616 9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.108 -5.949 9.414 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.754 -5.558 11.615 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.293 -9.228 9.418 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.000 -6.286 12.373 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.586 -9.916 10.078 1.00 0.00 H new ATOM 0 HH TYR A 22 6.413 -9.391 11.282 1.00 0.00 H new ATOM 307 N PRO A 23 -0.827 -4.349 10.761 1.00 0.00 N ATOM 308 CA PRO A 23 -1.700 -3.323 10.200 1.00 0.00 C ATOM 309 C PRO A 23 -1.687 -3.395 8.662 1.00 0.00 C ATOM 310 O PRO A 23 -0.993 -4.237 8.090 1.00 0.00 O ATOM 311 CB PRO A 23 -1.150 -2.002 10.754 1.00 0.00 C ATOM 312 CG PRO A 23 0.334 -2.280 10.999 1.00 0.00 C ATOM 313 CD PRO A 23 0.414 -3.770 11.246 1.00 0.00 C ATOM 0 HA PRO A 23 -2.748 -3.444 10.475 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.290 -1.185 10.046 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.658 -1.715 11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.938 -1.989 10.140 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.706 -1.717 11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.270 -4.201 10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.548 -3.978 12.308 1.00 0.00 H new ATOM 321 N HIS A 24 -2.469 -2.540 7.992 1.00 0.00 N ATOM 322 CA HIS A 24 -2.467 -2.414 6.533 1.00 0.00 C ATOM 323 C HIS A 24 -1.124 -1.850 6.083 1.00 0.00 C ATOM 324 O HIS A 24 -0.893 -0.646 6.169 1.00 0.00 O ATOM 325 CB HIS A 24 -3.636 -1.537 6.065 1.00 0.00 C ATOM 326 CG HIS A 24 -4.964 -2.210 6.266 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.935 -1.846 7.173 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.409 -3.313 5.587 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.943 -2.722 7.051 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.652 -3.653 6.126 1.00 0.00 N ATOM 0 H HIS A 24 -3.126 -1.911 8.453 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.602 -3.395 6.078 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.622 -0.594 6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.508 -1.296 5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.896 -3.824 4.786 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.862 -2.685 7.618 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.228 -4.454 5.867 1.00 0.00 H new ATOM 338 N TRP A 25 -0.211 -2.733 5.689 1.00 0.00 N ATOM 339 CA TRP A 25 1.159 -2.389 5.365 1.00 0.00 C ATOM 340 C TRP A 25 1.205 -1.783 3.956 1.00 0.00 C ATOM 341 O TRP A 25 0.552 -2.332 3.062 1.00 0.00 O ATOM 342 CB TRP A 25 2.038 -3.643 5.500 1.00 0.00 C ATOM 343 CG TRP A 25 3.456 -3.336 5.866 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.419 -2.907 5.020 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.061 -3.330 7.196 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.556 -2.605 5.738 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.389 -2.830 7.083 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.613 -3.667 8.492 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.218 -2.634 8.195 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.442 -3.484 9.617 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.735 -2.949 9.471 1.00 0.00 C ATOM 0 H TRP A 25 -0.413 -3.727 5.586 1.00 0.00 H new ATOM 0 HA TRP A 25 1.550 -1.641 6.055 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.609 -4.299 6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.024 -4.191 4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.314 -2.815 3.949 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.419 -2.256 5.321 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.620 -4.071 8.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.218 -2.245 8.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.082 -3.756 10.598 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.353 -2.782 10.341 1.00 0.00 H new ATOM 362 N PRO A 26 1.933 -0.674 3.728 1.00 0.00 N ATOM 363 CA PRO A 26 2.127 -0.124 2.391 1.00 0.00 C ATOM 364 C PRO A 26 2.949 -1.111 1.564 1.00 0.00 C ATOM 365 O PRO A 26 4.055 -1.490 1.964 1.00 0.00 O ATOM 366 CB PRO A 26 2.845 1.213 2.597 1.00 0.00 C ATOM 367 CG PRO A 26 3.590 1.037 3.920 1.00 0.00 C ATOM 368 CD PRO A 26 2.655 0.125 4.711 1.00 0.00 C ATOM 0 HA PRO A 26 1.196 0.036 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.532 1.427 1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.138 2.042 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.571 0.584 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.750 1.990 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.219 -0.513 5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.965 0.709 5.319 1.00 0.00 H new ATOM 376 N ALA A 27 2.410 -1.555 0.432 1.00 0.00 N ATOM 377 CA ALA A 27 3.046 -2.559 -0.400 1.00 0.00 C ATOM 378 C ALA A 27 2.888 -2.190 -1.872 1.00 0.00 C ATOM 379 O ALA A 27 2.078 -1.336 -2.232 1.00 0.00 O ATOM 380 CB ALA A 27 2.438 -3.927 -0.067 1.00 0.00 C ATOM 0 H ALA A 27 1.516 -1.224 0.069 1.00 0.00 H new ATOM 0 HA ALA A 27 4.117 -2.607 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.906 -4.693 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.609 -4.155 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.366 -3.907 -0.264 1.00 0.00 H new ATOM 386 N ARG A 28 3.645 -2.834 -2.755 1.00 0.00 N ATOM 387 CA ARG A 28 3.593 -2.538 -4.182 1.00 0.00 C ATOM 388 C ARG A 28 3.423 -3.811 -4.985 1.00 0.00 C ATOM 389 O ARG A 28 3.621 -4.910 -4.458 1.00 0.00 O ATOM 390 CB ARG A 28 4.802 -1.668 -4.560 1.00 0.00 C ATOM 391 CG ARG A 28 6.095 -2.385 -4.994 1.00 0.00 C ATOM 392 CD ARG A 28 6.477 -1.909 -6.391 1.00 0.00 C ATOM 393 NE ARG A 28 7.682 -2.547 -6.924 1.00 0.00 N ATOM 394 CZ ARG A 28 8.148 -2.327 -8.157 1.00 0.00 C ATOM 395 NH1 ARG A 28 7.560 -1.452 -8.969 1.00 0.00 N ATOM 396 NH2 ARG A 28 9.203 -3.005 -8.582 1.00 0.00 N ATOM 0 H ARG A 28 4.306 -3.569 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 28 2.713 -1.946 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.498 -1.006 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.040 -1.036 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.899 -2.172 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.947 -3.465 -4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.646 -2.100 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.628 -0.830 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 28 8.193 -3.193 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.739 -0.936 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.930 -1.298 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.651 -3.687 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.567 -2.845 -9.521 1.00 0.00 H new ATOM 410 N ILE A 29 3.038 -3.655 -6.245 1.00 0.00 N ATOM 411 CA ILE A 29 2.774 -4.753 -7.157 1.00 0.00 C ATOM 412 C ILE A 29 4.021 -4.812 -8.036 1.00 0.00 C ATOM 413 O ILE A 29 4.205 -3.998 -8.942 1.00 0.00 O ATOM 414 CB ILE A 29 1.419 -4.526 -7.867 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.278 -4.326 -6.847 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.020 -5.680 -8.798 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.027 -5.540 -5.963 1.00 0.00 C ATOM 0 H ILE A 29 2.898 -2.738 -6.668 1.00 0.00 H new ATOM 0 HA ILE A 29 2.635 -5.731 -6.697 1.00 0.00 H new ATOM 0 HB ILE A 29 1.563 -3.628 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.531 -3.483 -6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.628 -4.054 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.060 -5.456 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.779 -5.803 -9.571 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.938 -6.601 -8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.843 -5.298 -5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.316 -6.383 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.861 -5.803 -5.388 1.00 0.00 H new ATOM 429 N ASP A 30 4.924 -5.707 -7.639 1.00 0.00 N ATOM 430 CA ASP A 30 6.312 -5.826 -8.072 1.00 0.00 C ATOM 431 C ASP A 30 6.416 -6.680 -9.350 1.00 0.00 C ATOM 432 O ASP A 30 5.390 -6.970 -9.980 1.00 0.00 O ATOM 433 CB ASP A 30 7.101 -6.396 -6.883 1.00 0.00 C ATOM 434 CG ASP A 30 8.598 -6.148 -7.011 1.00 0.00 C ATOM 435 OD1 ASP A 30 9.045 -5.027 -6.700 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.312 -7.058 -7.474 1.00 0.00 O ATOM 0 H ASP A 30 4.684 -6.423 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 30 6.736 -4.860 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.738 -5.945 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.918 -7.468 -6.808 1.00 0.00 H new ATOM 441 N GLU A 31 7.611 -7.090 -9.785 1.00 0.00 N ATOM 442 CA GLU A 31 7.817 -7.823 -11.026 1.00 0.00 C ATOM 443 C GLU A 31 8.692 -9.068 -10.828 1.00 0.00 C ATOM 444 O GLU A 31 9.201 -9.336 -9.739 1.00 0.00 O ATOM 445 CB GLU A 31 8.265 -6.873 -12.153 1.00 0.00 C ATOM 446 CG GLU A 31 9.348 -5.838 -11.801 1.00 0.00 C ATOM 447 CD GLU A 31 9.864 -5.119 -13.056 1.00 0.00 C ATOM 448 OE1 GLU A 31 10.510 -5.769 -13.910 1.00 0.00 O ATOM 449 OE2 GLU A 31 9.597 -3.899 -13.206 1.00 0.00 O ATOM 0 H GLU A 31 8.475 -6.916 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 31 6.863 -8.233 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.631 -7.479 -12.982 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.387 -6.337 -12.514 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.941 -5.107 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.177 -6.334 -11.297 1.00 0.00 H new ATOM 597 N ASN A 42 -3.428 -16.606 -9.498 1.00 0.00 N ATOM 598 CA ASN A 42 -4.390 -15.904 -8.656 1.00 0.00 C ATOM 599 C ASN A 42 -3.663 -15.095 -7.571 1.00 0.00 C ATOM 600 O ASN A 42 -4.305 -14.598 -6.644 1.00 0.00 O ATOM 601 CB ASN A 42 -5.396 -16.900 -8.039 1.00 0.00 C ATOM 602 CG ASN A 42 -6.819 -16.577 -8.458 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.676 -16.296 -7.623 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.113 -16.622 -9.744 1.00 0.00 N ATOM 0 HA ASN A 42 -4.952 -15.203 -9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.144 -17.914 -8.350 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.319 -16.871 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.063 -16.422 -10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.390 -16.857 -10.424 1.00 0.00 H new ATOM 611 N LYS A 43 -2.325 -15.005 -7.623 1.00 0.00 N ATOM 612 CA LYS A 43 -1.502 -14.296 -6.653 1.00 0.00 C ATOM 613 C LYS A 43 -0.512 -13.419 -7.394 1.00 0.00 C ATOM 614 O LYS A 43 -0.010 -13.819 -8.446 1.00 0.00 O ATOM 615 CB LYS A 43 -0.768 -15.270 -5.725 1.00 0.00 C ATOM 616 CG LYS A 43 -1.765 -16.088 -4.895 1.00 0.00 C ATOM 617 CD LYS A 43 -1.079 -16.734 -3.694 1.00 0.00 C ATOM 618 CE LYS A 43 -2.139 -17.440 -2.853 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.564 -18.194 -1.723 1.00 0.00 N ATOM 0 H LYS A 43 -1.778 -15.439 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.147 -13.678 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.143 -15.940 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.104 -14.716 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.574 -15.443 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.216 -16.860 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.324 -17.446 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.565 -15.979 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.843 -16.702 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.705 -18.121 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.328 -18.653 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.912 -18.919 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.046 -17.543 -1.099 1.00 0.00 H new ATOM 633 N TYR A 44 -0.202 -12.258 -6.831 1.00 0.00 N ATOM 634 CA TYR A 44 0.697 -11.285 -7.421 1.00 0.00 C ATOM 635 C TYR A 44 2.010 -11.287 -6.628 1.00 0.00 C ATOM 636 O TYR A 44 1.976 -11.513 -5.413 1.00 0.00 O ATOM 637 CB TYR A 44 0.040 -9.896 -7.389 1.00 0.00 C ATOM 638 CG TYR A 44 -1.344 -9.832 -8.016 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.491 -9.855 -9.413 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.492 -9.776 -7.205 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.772 -9.807 -9.995 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.771 -9.740 -7.781 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.921 -9.732 -9.182 1.00 0.00 C ATOM 644 OH TYR A 44 -5.165 -9.641 -9.731 1.00 0.00 O ATOM 0 H TYR A 44 -0.580 -11.964 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 44 0.907 -11.540 -8.460 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.030 -9.566 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.690 -9.190 -7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.616 -9.910 -10.044 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.388 -9.761 -6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.875 -9.828 -11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.645 -9.718 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.835 -9.600 -9.017 1.00 0.00 H new ATOM 654 N PRO A 45 3.156 -11.009 -7.271 1.00 0.00 N ATOM 655 CA PRO A 45 4.382 -10.618 -6.592 1.00 0.00 C ATOM 656 C PRO A 45 4.151 -9.293 -5.859 1.00 0.00 C ATOM 657 O PRO A 45 4.026 -8.242 -6.496 1.00 0.00 O ATOM 658 CB PRO A 45 5.473 -10.532 -7.666 1.00 0.00 C ATOM 659 CG PRO A 45 4.749 -10.566 -9.012 1.00 0.00 C ATOM 660 CD PRO A 45 3.304 -10.964 -8.715 1.00 0.00 C ATOM 0 HA PRO A 45 4.693 -11.337 -5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.053 -9.616 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.172 -11.364 -7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.791 -9.592 -9.500 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.218 -11.282 -9.687 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.610 -10.245 -9.150 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.075 -11.934 -9.155 1.00 0.00 H new ATOM 668 N ILE A 46 4.021 -9.359 -4.531 1.00 0.00 N ATOM 669 CA ILE A 46 3.990 -8.181 -3.667 1.00 0.00 C ATOM 670 C ILE A 46 5.436 -7.852 -3.251 1.00 0.00 C ATOM 671 O ILE A 46 6.302 -8.736 -3.253 1.00 0.00 O ATOM 672 CB ILE A 46 3.032 -8.423 -2.463 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.650 -8.980 -2.884 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.769 -7.137 -1.658 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.917 -8.160 -3.954 1.00 0.00 C ATOM 0 H ILE A 46 3.934 -10.240 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 46 3.590 -7.313 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 46 3.555 -9.160 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.783 -9.996 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.016 -9.044 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.096 -7.358 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.711 -6.753 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.313 -6.389 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.040 -8.631 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.746 -7.149 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.524 -8.117 -4.858 1.00 0.00 H new ATOM 687 N PHE A 47 5.691 -6.593 -2.879 1.00 0.00 N ATOM 688 CA PHE A 47 6.891 -6.119 -2.191 1.00 0.00 C ATOM 689 C PHE A 47 6.431 -5.226 -1.037 1.00 0.00 C ATOM 690 O PHE A 47 5.658 -4.289 -1.255 1.00 0.00 O ATOM 691 CB PHE A 47 7.783 -5.352 -3.177 1.00 0.00 C ATOM 692 CG PHE A 47 9.063 -4.757 -2.614 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.205 -5.570 -2.490 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.151 -3.383 -2.299 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.427 -5.029 -2.061 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.387 -2.839 -1.900 1.00 0.00 C ATOM 697 CZ PHE A 47 11.523 -3.656 -1.792 1.00 0.00 C ATOM 0 H PHE A 47 5.029 -5.839 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 47 7.481 -6.948 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.050 -6.026 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.194 -4.544 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.140 -6.622 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.276 -2.754 -2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.290 -5.667 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.461 -1.785 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.471 -3.227 -1.502 1.00 0.00 H new ATOM 707 N PHE A 48 6.857 -5.525 0.192 1.00 0.00 N ATOM 708 CA PHE A 48 6.556 -4.743 1.383 1.00 0.00 C ATOM 709 C PHE A 48 7.652 -3.686 1.541 1.00 0.00 C ATOM 710 O PHE A 48 8.699 -3.973 2.136 1.00 0.00 O ATOM 711 CB PHE A 48 6.499 -5.651 2.626 1.00 0.00 C ATOM 712 CG PHE A 48 5.353 -6.637 2.708 1.00 0.00 C ATOM 713 CD1 PHE A 48 4.063 -6.186 3.037 1.00 0.00 C ATOM 714 CD2 PHE A 48 5.576 -8.012 2.497 1.00 0.00 C ATOM 715 CE1 PHE A 48 3.002 -7.102 3.129 1.00 0.00 C ATOM 716 CE2 PHE A 48 4.497 -8.914 2.518 1.00 0.00 C ATOM 717 CZ PHE A 48 3.209 -8.462 2.843 1.00 0.00 C ATOM 0 H PHE A 48 7.437 -6.341 0.387 1.00 0.00 H new ATOM 0 HA PHE A 48 5.582 -4.264 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.432 -6.212 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.460 -5.013 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.888 -5.136 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.578 -8.374 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.021 -6.759 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.660 -9.956 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.382 -9.155 2.873 1.00 0.00 H new ATOM 727 N PHE A 49 7.417 -2.474 1.029 1.00 0.00 N ATOM 728 CA PHE A 49 8.336 -1.338 1.131 1.00 0.00 C ATOM 729 C PHE A 49 8.857 -1.180 2.557 1.00 0.00 C ATOM 730 O PHE A 49 8.135 -1.459 3.515 1.00 0.00 O ATOM 731 CB PHE A 49 7.608 -0.044 0.742 1.00 0.00 C ATOM 732 CG PHE A 49 7.537 0.239 -0.736 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.736 0.335 -1.469 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.302 0.489 -1.363 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.700 0.640 -2.836 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.279 0.858 -2.715 1.00 0.00 C ATOM 737 CZ PHE A 49 7.469 0.906 -3.459 1.00 0.00 C ATOM 0 H PHE A 49 6.562 -2.251 0.520 1.00 0.00 H new ATOM 0 HA PHE A 49 9.173 -1.526 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.592 -0.086 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.105 0.794 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.684 0.173 -0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.380 0.397 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.615 0.671 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.340 1.107 -3.187 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.438 1.148 -4.511 1.00 0.00 H new ATOM 747 N GLY A 50 10.089 -0.699 2.729 1.00 0.00 N ATOM 748 CA GLY A 50 10.693 -0.441 4.035 1.00 0.00 C ATOM 749 C GLY A 50 11.136 -1.710 4.776 1.00 0.00 C ATOM 750 O GLY A 50 12.162 -1.684 5.461 1.00 0.00 O ATOM 0 H GLY A 50 10.706 -0.474 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.556 0.211 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.978 0.099 4.655 1.00 0.00 H new ATOM 754 N THR A 51 10.408 -2.825 4.668 1.00 0.00 N ATOM 755 CA THR A 51 10.895 -4.129 5.134 1.00 0.00 C ATOM 756 C THR A 51 11.711 -4.832 4.038 1.00 0.00 C ATOM 757 O THR A 51 12.615 -5.609 4.349 1.00 0.00 O ATOM 758 CB THR A 51 9.736 -4.996 5.650 1.00 0.00 C ATOM 759 OG1 THR A 51 8.841 -5.383 4.625 1.00 0.00 O ATOM 760 CG2 THR A 51 8.923 -4.274 6.729 1.00 0.00 C ATOM 0 H THR A 51 9.474 -2.851 4.260 1.00 0.00 H new ATOM 0 HA THR A 51 11.568 -3.967 5.976 1.00 0.00 H new ATOM 0 HB THR A 51 10.213 -5.884 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.941 -4.780 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.113 -4.920 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.571 -4.032 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.506 -3.355 6.316 1.00 0.00 H new ATOM 768 N HIS A 52 11.422 -4.516 2.767 1.00 0.00 N ATOM 769 CA HIS A 52 12.013 -5.079 1.553 1.00 0.00 C ATOM 770 C HIS A 52 11.748 -6.591 1.424 1.00 0.00 C ATOM 771 O HIS A 52 12.495 -7.321 0.770 1.00 0.00 O ATOM 772 CB HIS A 52 13.494 -4.674 1.429 1.00 0.00 C ATOM 773 CG HIS A 52 13.791 -3.260 1.879 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.477 -2.897 3.019 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.363 -2.109 1.278 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.460 -1.557 3.107 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.800 -1.036 2.061 1.00 0.00 N ATOM 0 H HIS A 52 10.719 -3.810 2.550 1.00 0.00 H new ATOM 0 HA HIS A 52 11.512 -4.645 0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.098 -5.365 2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.803 -4.785 0.390 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.791 -2.041 0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.911 -0.983 3.903 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.646 -0.045 1.873 1.00 0.00 H new ATOM 785 N GLU A 53 10.678 -7.068 2.063 1.00 0.00 N ATOM 786 CA GLU A 53 10.296 -8.470 2.098 1.00 0.00 C ATOM 787 C GLU A 53 9.234 -8.724 1.025 1.00 0.00 C ATOM 788 O GLU A 53 8.407 -7.855 0.710 1.00 0.00 O ATOM 789 CB GLU A 53 9.780 -8.819 3.505 1.00 0.00 C ATOM 790 CG GLU A 53 10.919 -8.722 4.540 1.00 0.00 C ATOM 791 CD GLU A 53 10.501 -9.043 5.975 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.958 -10.150 6.221 1.00 0.00 O ATOM 793 OE2 GLU A 53 10.747 -8.215 6.883 1.00 0.00 O ATOM 0 H GLU A 53 10.039 -6.467 2.584 1.00 0.00 H new ATOM 0 HA GLU A 53 11.153 -9.109 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.972 -8.141 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.365 -9.827 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.718 -9.403 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.333 -7.714 4.512 1.00 0.00 H new ATOM 800 N THR A 54 9.218 -9.941 0.494 1.00 0.00 N ATOM 801 CA THR A 54 8.398 -10.327 -0.644 1.00 0.00 C ATOM 802 C THR A 54 7.516 -11.516 -0.275 1.00 0.00 C ATOM 803 O THR A 54 7.887 -12.350 0.557 1.00 0.00 O ATOM 804 CB THR A 54 9.300 -10.569 -1.867 1.00 0.00 C ATOM 805 OG1 THR A 54 10.495 -11.220 -1.503 1.00 0.00 O ATOM 806 CG2 THR A 54 9.696 -9.228 -2.482 1.00 0.00 C ATOM 0 H THR A 54 9.790 -10.705 0.854 1.00 0.00 H new ATOM 0 HA THR A 54 7.714 -9.524 -0.918 1.00 0.00 H new ATOM 0 HB THR A 54 8.738 -11.186 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.046 -11.362 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.335 -9.400 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.800 -8.691 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.236 -8.635 -1.744 1.00 0.00 H new ATOM 814 N ALA A 55 6.323 -11.565 -0.867 1.00 0.00 N ATOM 815 CA ALA A 55 5.375 -12.658 -0.728 1.00 0.00 C ATOM 816 C ALA A 55 4.583 -12.802 -2.027 1.00 0.00 C ATOM 817 O ALA A 55 4.538 -11.866 -2.839 1.00 0.00 O ATOM 818 CB ALA A 55 4.431 -12.345 0.439 1.00 0.00 C ATOM 0 H ALA A 55 5.984 -10.819 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 55 5.898 -13.593 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.714 -13.158 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.010 -12.238 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.898 -11.416 0.236 1.00 0.00 H new ATOM 824 N PHE A 56 3.894 -13.933 -2.180 1.00 0.00 N ATOM 825 CA PHE A 56 2.822 -14.085 -3.149 1.00 0.00 C ATOM 826 C PHE A 56 1.542 -14.122 -2.345 1.00 0.00 C ATOM 827 O PHE A 56 1.234 -15.122 -1.699 1.00 0.00 O ATOM 828 CB PHE A 56 2.990 -15.346 -4.011 1.00 0.00 C ATOM 829 CG PHE A 56 4.283 -15.402 -4.802 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.724 -14.287 -5.542 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.063 -16.571 -4.785 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.951 -14.332 -6.228 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.291 -16.610 -5.461 1.00 0.00 C ATOM 834 CZ PHE A 56 6.741 -15.491 -6.183 1.00 0.00 C ATOM 0 H PHE A 56 4.070 -14.773 -1.628 1.00 0.00 H new ATOM 0 HA PHE A 56 2.821 -13.259 -3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.937 -16.222 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.152 -15.410 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.117 -13.394 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.715 -17.442 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.286 -13.473 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.895 -17.505 -5.427 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.689 -15.523 -6.700 1.00 0.00 H new ATOM 844 N LEU A 57 0.778 -13.038 -2.410 1.00 0.00 N ATOM 845 CA LEU A 57 -0.553 -12.969 -1.828 1.00 0.00 C ATOM 846 C LEU A 57 -1.554 -12.947 -2.970 1.00 0.00 C ATOM 847 O LEU A 57 -1.216 -12.496 -4.067 1.00 0.00 O ATOM 848 CB LEU A 57 -0.690 -11.708 -0.956 1.00 0.00 C ATOM 849 CG LEU A 57 0.197 -11.709 0.303 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.094 -10.353 1.010 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.219 -12.808 1.288 1.00 0.00 C ATOM 0 H LEU A 57 1.069 -12.177 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.736 -13.831 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.443 -10.835 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.731 -11.602 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 57 1.222 -11.898 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.723 -10.358 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.427 -9.565 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.941 -10.171 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.430 -12.777 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.252 -12.648 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.131 -13.781 0.806 1.00 0.00 H new ATOM 863 N GLY A 58 -2.793 -13.357 -2.713 1.00 0.00 N ATOM 864 CA GLY A 58 -3.912 -13.121 -3.608 1.00 0.00 C ATOM 865 C GLY A 58 -4.678 -11.872 -3.170 1.00 0.00 C ATOM 866 O GLY A 58 -4.620 -11.501 -1.992 1.00 0.00 O ATOM 0 H GLY A 58 -3.047 -13.868 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.552 -12.997 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.577 -13.984 -3.607 1.00 0.00 H new ATOM 870 N PRO A 59 -5.486 -11.279 -4.058 1.00 0.00 N ATOM 871 CA PRO A 59 -6.053 -9.944 -3.885 1.00 0.00 C ATOM 872 C PRO A 59 -6.999 -9.791 -2.693 1.00 0.00 C ATOM 873 O PRO A 59 -7.246 -8.664 -2.274 1.00 0.00 O ATOM 874 CB PRO A 59 -6.762 -9.620 -5.206 1.00 0.00 C ATOM 875 CG PRO A 59 -6.870 -10.946 -5.956 1.00 0.00 C ATOM 876 CD PRO A 59 -5.751 -11.803 -5.382 1.00 0.00 C ATOM 0 HA PRO A 59 -5.250 -9.245 -3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.748 -9.191 -5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.197 -8.889 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.844 -11.410 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.750 -10.805 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.047 -12.851 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.860 -11.751 -6.008 1.00 0.00 H new ATOM 884 N LYS A 60 -7.521 -10.870 -2.099 1.00 0.00 N ATOM 885 CA LYS A 60 -8.368 -10.729 -0.912 1.00 0.00 C ATOM 886 C LYS A 60 -7.563 -10.268 0.302 1.00 0.00 C ATOM 887 O LYS A 60 -8.156 -9.741 1.245 1.00 0.00 O ATOM 888 CB LYS A 60 -9.156 -12.018 -0.635 1.00 0.00 C ATOM 889 CG LYS A 60 -9.947 -12.431 -1.886 1.00 0.00 C ATOM 890 CD LYS A 60 -11.231 -13.211 -1.601 1.00 0.00 C ATOM 891 CE LYS A 60 -10.975 -14.674 -1.250 1.00 0.00 C ATOM 892 NZ LYS A 60 -12.235 -15.440 -1.289 1.00 0.00 N ATOM 0 H LYS A 60 -7.376 -11.830 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.099 -9.946 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.473 -12.817 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.837 -11.864 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.201 -11.534 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.303 -13.038 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.764 -12.734 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.881 -13.161 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.259 -15.103 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.530 -14.744 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.045 -16.434 -1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.906 -15.040 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.644 -15.388 -2.244 1.00 0.00 H new ATOM 906 N ASP A 61 -6.235 -10.400 0.272 1.00 0.00 N ATOM 907 CA ASP A 61 -5.328 -9.896 1.299 1.00 0.00 C ATOM 908 C ASP A 61 -4.894 -8.453 0.988 1.00 0.00 C ATOM 909 O ASP A 61 -4.092 -7.900 1.743 1.00 0.00 O ATOM 910 CB ASP A 61 -4.078 -10.792 1.413 1.00 0.00 C ATOM 911 CG ASP A 61 -4.342 -12.212 1.920 1.00 0.00 C ATOM 912 OD1 ASP A 61 -4.647 -13.112 1.106 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.133 -12.493 3.120 1.00 0.00 O ATOM 0 H ASP A 61 -5.750 -10.874 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.865 -9.909 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.604 -10.855 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.365 -10.311 2.082 1.00 0.00 H new ATOM 918 N LEU A 62 -5.383 -7.824 -0.095 1.00 0.00 N ATOM 919 CA LEU A 62 -4.971 -6.498 -0.577 1.00 0.00 C ATOM 920 C LEU A 62 -6.137 -5.502 -0.545 1.00 0.00 C ATOM 921 O LEU A 62 -7.293 -5.917 -0.422 1.00 0.00 O ATOM 922 CB LEU A 62 -4.476 -6.582 -2.033 1.00 0.00 C ATOM 923 CG LEU A 62 -3.208 -7.400 -2.316 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.759 -7.052 -3.742 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.035 -7.166 -1.357 1.00 0.00 C ATOM 0 H LEU A 62 -6.105 -8.244 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.174 -6.157 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.283 -6.997 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.304 -5.565 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.474 -8.448 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.857 -7.613 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.550 -7.311 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.551 -5.984 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.194 -7.794 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.736 -6.118 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.339 -7.419 -0.341 1.00 0.00 H new ATOM 937 N PHE A 63 -5.829 -4.209 -0.718 1.00 0.00 N ATOM 938 CA PHE A 63 -6.763 -3.143 -1.085 1.00 0.00 C ATOM 939 C PHE A 63 -6.051 -2.146 -2.019 1.00 0.00 C ATOM 940 O PHE A 63 -4.832 -1.975 -1.895 1.00 0.00 O ATOM 941 CB PHE A 63 -7.273 -2.402 0.164 1.00 0.00 C ATOM 942 CG PHE A 63 -8.101 -3.263 1.096 1.00 0.00 C ATOM 943 CD1 PHE A 63 -9.485 -3.420 0.898 1.00 0.00 C ATOM 944 CD2 PHE A 63 -7.464 -3.965 2.130 1.00 0.00 C ATOM 945 CE1 PHE A 63 -10.207 -4.334 1.685 1.00 0.00 C ATOM 946 CE2 PHE A 63 -8.174 -4.906 2.893 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.544 -5.105 2.656 1.00 0.00 C ATOM 0 H PHE A 63 -4.876 -3.865 -0.600 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.619 -3.589 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.419 -2.007 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.871 -1.547 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.992 -2.839 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.421 -3.781 2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.272 -4.444 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.668 -5.475 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.088 -5.849 3.219 1.00 0.00 H new ATOM 957 N PRO A 64 -6.773 -1.438 -2.912 1.00 0.00 N ATOM 958 CA PRO A 64 -6.186 -0.450 -3.814 1.00 0.00 C ATOM 959 C PRO A 64 -5.647 0.750 -3.037 1.00 0.00 C ATOM 960 O PRO A 64 -6.418 1.459 -2.399 1.00 0.00 O ATOM 961 CB PRO A 64 -7.294 -0.040 -4.791 1.00 0.00 C ATOM 962 CG PRO A 64 -8.601 -0.478 -4.128 1.00 0.00 C ATOM 963 CD PRO A 64 -8.209 -1.562 -3.131 1.00 0.00 C ATOM 0 HA PRO A 64 -5.335 -0.865 -4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.284 1.036 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.163 -0.523 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.086 0.359 -3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.306 -0.860 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.754 -1.441 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.456 -2.550 -3.518 1.00 0.00 H new ATOM 971 N TYR A 65 -4.340 1.006 -3.113 1.00 0.00 N ATOM 972 CA TYR A 65 -3.660 2.099 -2.431 1.00 0.00 C ATOM 973 C TYR A 65 -4.423 3.407 -2.535 1.00 0.00 C ATOM 974 O TYR A 65 -4.833 3.921 -1.508 1.00 0.00 O ATOM 975 CB TYR A 65 -2.251 2.281 -2.981 1.00 0.00 C ATOM 976 CG TYR A 65 -1.569 3.533 -2.505 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.030 3.583 -1.210 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.504 4.655 -3.351 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.433 4.763 -0.743 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.875 5.822 -2.898 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.339 5.889 -1.589 1.00 0.00 C ATOM 982 OH TYR A 65 0.257 7.020 -1.124 1.00 0.00 O ATOM 0 H TYR A 65 -3.706 0.435 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.608 1.828 -1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.647 1.419 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.295 2.295 -4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.075 2.712 -0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.935 4.617 -4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.045 4.810 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.798 6.678 -3.553 1.00 0.00 H new ATOM 0 HH TYR A 65 0.246 7.707 -1.823 1.00 0.00 H new ATOM 992 N LYS A 66 -4.632 3.952 -3.736 1.00 0.00 N ATOM 993 CA LYS A 66 -5.256 5.267 -3.921 1.00 0.00 C ATOM 994 C LYS A 66 -6.580 5.384 -3.170 1.00 0.00 C ATOM 995 O LYS A 66 -6.833 6.375 -2.480 1.00 0.00 O ATOM 996 CB LYS A 66 -5.341 5.662 -5.408 1.00 0.00 C ATOM 997 CG LYS A 66 -5.810 4.557 -6.361 1.00 0.00 C ATOM 998 CD LYS A 66 -7.225 4.719 -6.935 1.00 0.00 C ATOM 999 CE LYS A 66 -7.305 5.717 -8.102 1.00 0.00 C ATOM 1000 NZ LYS A 66 -8.617 5.627 -8.785 1.00 0.00 N ATOM 0 H LYS A 66 -4.373 3.494 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.601 6.009 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.019 6.510 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.358 6.003 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.107 4.499 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.760 3.604 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.584 3.747 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.895 5.047 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.153 6.730 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.505 5.515 -8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.648 6.310 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.749 4.665 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.376 5.843 -8.108 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.395 4.337 -3.226 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.687 4.275 -2.553 1.00 0.00 C ATOM 1016 C GLU A 67 -8.530 4.372 -1.023 1.00 0.00 C ATOM 1017 O GLU A 67 -9.360 4.977 -0.346 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.359 2.959 -2.958 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.885 3.017 -3.106 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.360 2.910 -4.558 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.153 1.849 -5.195 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.026 3.864 -5.020 1.00 0.00 O ATOM 0 H GLU A 67 -7.172 3.491 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.304 5.122 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.932 2.629 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.112 2.201 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.330 2.209 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.249 3.952 -2.681 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.446 3.848 -0.446 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.197 3.786 1.000 1.00 0.00 C ATOM 1031 C TYR A 68 -6.020 4.665 1.438 1.00 0.00 C ATOM 1032 O TYR A 68 -5.618 4.605 2.598 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.052 2.325 1.438 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.342 1.542 1.287 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.674 0.983 0.045 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.255 1.449 2.350 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.923 0.387 -0.181 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.500 0.827 2.151 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.854 0.318 0.877 1.00 0.00 C ATOM 1040 OH TYR A 68 -12.098 -0.183 0.644 1.00 0.00 O ATOM 0 H TYR A 68 -6.688 3.439 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.061 4.207 1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.270 1.848 0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.730 2.291 2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.951 1.012 -0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.001 1.854 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.169 -0.014 -1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.192 0.736 2.975 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.619 -0.164 1.474 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.479 5.501 0.554 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.280 6.303 0.747 1.00 0.00 C ATOM 1052 C LYS A 69 -4.411 7.203 1.973 1.00 0.00 C ATOM 1053 O LYS A 69 -3.481 7.282 2.769 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.052 7.047 -0.581 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.142 8.262 -0.484 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.857 8.847 -1.875 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.725 9.883 -1.870 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.147 11.255 -1.534 1.00 0.00 N ATOM 0 H LYS A 69 -5.892 5.642 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.400 5.700 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.628 6.350 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.018 7.365 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.608 9.021 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.204 7.981 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.598 8.037 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.765 9.311 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.964 9.566 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.255 9.893 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.321 11.887 -1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.850 11.582 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.568 11.266 -0.583 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.566 7.836 2.175 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.786 8.656 3.372 1.00 0.00 C ATOM 1074 C ASP A 70 -6.004 7.775 4.604 1.00 0.00 C ATOM 1075 O ASP A 70 -5.601 8.116 5.712 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.026 9.542 3.190 1.00 0.00 C ATOM 1077 CG ASP A 70 -6.833 10.730 2.260 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.732 10.922 1.702 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.822 11.477 2.059 1.00 0.00 O ATOM 0 H ASP A 70 -6.359 7.800 1.534 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.899 9.273 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.841 8.928 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.338 9.911 4.167 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.697 6.652 4.417 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.324 5.872 5.478 1.00 0.00 C ATOM 1086 C LYS A 71 -6.318 4.944 6.160 1.00 0.00 C ATOM 1087 O LYS A 71 -6.258 4.869 7.391 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.496 5.112 4.833 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.545 4.626 5.843 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.840 4.189 5.138 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.600 5.403 4.578 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.491 5.036 3.460 1.00 0.00 N ATOM 0 H LYS A 71 -6.841 6.249 3.491 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.695 6.516 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.980 5.760 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.105 4.254 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.141 3.792 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.766 5.423 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.602 3.499 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.476 3.650 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.188 5.860 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.885 6.153 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.982 5.885 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.928 4.624 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.191 4.340 3.788 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.569 4.196 5.352 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.569 3.214 5.751 1.00 0.00 C ATOM 1108 C PHE A 72 -3.178 3.849 5.771 1.00 0.00 C ATOM 1109 O PHE A 72 -2.351 3.474 6.610 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.581 2.047 4.749 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.810 1.153 4.725 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.854 1.256 5.667 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -5.902 0.179 3.716 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.937 0.366 5.613 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -6.985 -0.710 3.667 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.003 -0.628 4.625 1.00 0.00 C ATOM 0 H PHE A 72 -5.651 4.266 4.338 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.805 2.852 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.447 2.461 3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.713 1.420 4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.820 2.020 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.127 0.114 2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.730 0.447 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.034 -1.458 2.890 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.830 -1.322 4.604 1.00 0.00 H new ATOM 1126 N GLY A 73 -2.921 4.805 4.869 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.627 5.440 4.662 1.00 0.00 C ATOM 1128 C GLY A 73 -1.337 6.473 5.742 1.00 0.00 C ATOM 1129 O GLY A 73 -1.229 7.661 5.453 1.00 0.00 O ATOM 0 H GLY A 73 -3.641 5.166 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.844 4.682 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.607 5.919 3.683 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.261 6.026 6.996 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.153 6.838 8.203 1.00 0.00 C ATOM 1135 C LYS A 74 -0.020 6.275 9.041 1.00 0.00 C ATOM 1136 O LYS A 74 0.055 5.048 9.194 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.469 6.777 9.011 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.743 7.341 8.358 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.785 8.874 8.261 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.036 9.359 7.026 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.927 10.821 6.933 1.00 0.00 N ATOM 0 H LYS A 74 -1.274 5.028 7.206 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.961 7.877 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.657 5.734 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.310 7.309 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.837 6.924 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.608 7.002 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.820 9.212 8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.342 9.312 9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.034 8.929 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.542 8.985 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.406 11.076 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.879 11.239 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.418 11.185 7.764 1.00 0.00 H new ATOM 1155 N SER A 75 0.805 7.166 9.591 1.00 0.00 N ATOM 1156 CA SER A 75 1.930 6.902 10.472 1.00 0.00 C ATOM 1157 C SER A 75 1.589 5.803 11.472 1.00 0.00 C ATOM 1158 O SER A 75 0.731 5.985 12.344 1.00 0.00 O ATOM 1159 CB SER A 75 2.284 8.203 11.197 1.00 0.00 C ATOM 1160 OG SER A 75 2.450 9.253 10.264 1.00 0.00 O ATOM 0 H SER A 75 0.691 8.164 9.416 1.00 0.00 H new ATOM 0 HA SER A 75 2.784 6.556 9.889 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.497 8.458 11.906 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.200 8.070 11.772 1.00 0.00 H new ATOM 0 HG SER A 75 2.674 10.080 10.739 1.00 0.00 H new ATOM 1166 N ASN A 76 2.207 4.634 11.322 1.00 0.00 N ATOM 1167 CA ASN A 76 1.964 3.534 12.245 1.00 0.00 C ATOM 1168 C ASN A 76 2.901 3.652 13.453 1.00 0.00 C ATOM 1169 O ASN A 76 3.759 4.535 13.508 1.00 0.00 O ATOM 1170 CB ASN A 76 2.047 2.179 11.533 1.00 0.00 C ATOM 1171 CG ASN A 76 1.114 1.210 12.234 1.00 0.00 C ATOM 1172 OD1 ASN A 76 1.488 0.603 13.234 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.133 1.143 11.801 1.00 0.00 N ATOM 0 H ASN A 76 2.873 4.427 10.577 1.00 0.00 H new ATOM 0 HA ASN A 76 0.944 3.597 12.625 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.767 2.284 10.485 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.070 1.802 11.553 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.817 0.575 12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.412 1.660 10.967 1.00 0.00 H new ATOM 1180 N LYS A 77 2.770 2.763 14.439 1.00 0.00 N ATOM 1181 CA LYS A 77 3.792 2.567 15.457 1.00 0.00 C ATOM 1182 C LYS A 77 4.860 1.617 14.946 1.00 0.00 C ATOM 1183 O LYS A 77 6.031 1.871 15.230 1.00 0.00 O ATOM 1184 CB LYS A 77 3.192 2.050 16.765 1.00 0.00 C ATOM 1185 CG LYS A 77 2.584 3.217 17.552 1.00 0.00 C ATOM 1186 CD LYS A 77 2.138 2.812 18.957 1.00 0.00 C ATOM 1187 CE LYS A 77 3.330 2.374 19.811 1.00 0.00 C ATOM 1188 NZ LYS A 77 3.026 2.369 21.251 1.00 0.00 N ATOM 0 H LYS A 77 1.953 2.162 14.550 1.00 0.00 H new ATOM 0 HA LYS A 77 4.248 3.534 15.668 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.427 1.303 16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.962 1.559 17.360 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.316 4.021 17.625 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.729 3.613 17.004 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.632 3.650 19.437 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.415 1.998 18.892 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.642 1.375 19.506 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.171 3.042 19.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.867 2.065 21.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.754 3.327 21.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.242 1.712 21.438 1.00 0.00 H new ATOM 1202 N ARG A 78 4.482 0.564 14.204 1.00 0.00 N ATOM 1203 CA ARG A 78 5.410 -0.461 13.734 1.00 0.00 C ATOM 1204 C ARG A 78 6.583 0.197 13.025 1.00 0.00 C ATOM 1205 O ARG A 78 6.347 1.003 12.127 1.00 0.00 O ATOM 1206 CB ARG A 78 4.689 -1.481 12.831 1.00 0.00 C ATOM 1207 CG ARG A 78 4.730 -2.888 13.444 1.00 0.00 C ATOM 1208 CD ARG A 78 6.154 -3.476 13.464 1.00 0.00 C ATOM 1209 NE ARG A 78 6.529 -3.984 14.797 1.00 0.00 N ATOM 1210 CZ ARG A 78 7.754 -4.395 15.155 1.00 0.00 C ATOM 1211 NH1 ARG A 78 8.743 -4.439 14.269 1.00 0.00 N ATOM 1212 NH2 ARG A 78 7.988 -4.755 16.414 1.00 0.00 N ATOM 0 H ARG A 78 3.517 0.405 13.915 1.00 0.00 H new ATOM 0 HA ARG A 78 5.798 -1.015 14.589 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.653 -1.174 12.686 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.158 -1.496 11.847 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.341 -2.850 14.461 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.075 -3.548 12.876 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.221 -4.285 12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.866 -2.710 13.156 1.00 0.00 H new ATOM 0 HE ARG A 78 5.796 -4.026 15.505 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.575 -4.158 13.303 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.670 -4.754 14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.237 -4.718 17.103 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.919 -5.068 16.690 1.00 0.00 H new ATOM 1226 N LYS A 79 7.814 -0.104 13.441 1.00 0.00 N ATOM 1227 CA LYS A 79 9.011 0.371 12.752 1.00 0.00 C ATOM 1228 C LYS A 79 9.041 -0.187 11.327 1.00 0.00 C ATOM 1229 O LYS A 79 8.289 -1.112 11.022 1.00 0.00 O ATOM 1230 CB LYS A 79 10.249 -0.004 13.579 1.00 0.00 C ATOM 1231 CG LYS A 79 11.434 0.927 13.279 1.00 0.00 C ATOM 1232 CD LYS A 79 12.640 0.682 14.188 1.00 0.00 C ATOM 1233 CE LYS A 79 12.327 0.963 15.666 1.00 0.00 C ATOM 1234 NZ LYS A 79 13.572 1.116 16.441 1.00 0.00 N ATOM 0 H LYS A 79 8.007 -0.680 14.260 1.00 0.00 H new ATOM 0 HA LYS A 79 9.004 1.457 12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.007 0.045 14.641 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.532 -1.035 13.364 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.737 0.795 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.110 1.962 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.969 -0.351 14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.467 1.315 13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.726 1.869 15.750 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.733 0.147 16.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.340 1.305 17.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.131 0.241 16.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.124 1.909 16.057 1.00 0.00 H new ATOM 1248 N GLY A 80 9.859 0.383 10.443 1.00 0.00 N ATOM 1249 CA GLY A 80 9.854 0.069 9.019 1.00 0.00 C ATOM 1250 C GLY A 80 8.680 0.746 8.311 1.00 0.00 C ATOM 1251 O GLY A 80 8.839 1.262 7.204 1.00 0.00 O ATOM 0 H GLY A 80 10.552 1.085 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.791 0.395 8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.792 -1.011 8.882 1.00 0.00 H new ATOM 1255 N PHE A 81 7.489 0.741 8.913 1.00 0.00 N ATOM 1256 CA PHE A 81 6.242 1.133 8.274 1.00 0.00 C ATOM 1257 C PHE A 81 6.310 2.558 7.717 1.00 0.00 C ATOM 1258 O PHE A 81 5.850 2.785 6.604 1.00 0.00 O ATOM 1259 CB PHE A 81 5.103 0.992 9.287 1.00 0.00 C ATOM 1260 CG PHE A 81 3.704 1.089 8.721 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.186 2.330 8.306 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.896 -0.061 8.658 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.874 2.408 7.817 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.580 0.030 8.178 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.072 1.264 7.747 1.00 0.00 C ATOM 0 H PHE A 81 7.368 0.456 9.885 1.00 0.00 H new ATOM 0 HA PHE A 81 6.060 0.476 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.206 0.030 9.789 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.221 1.763 10.048 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.797 3.219 8.364 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.289 -1.015 8.979 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.479 3.359 7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.958 -0.852 8.141 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.065 1.331 7.362 1.00 0.00 H new ATOM 1275 N ASN A 82 6.845 3.529 8.468 1.00 0.00 N ATOM 1276 CA ASN A 82 6.879 4.932 8.041 1.00 0.00 C ATOM 1277 C ASN A 82 7.887 5.121 6.911 1.00 0.00 C ATOM 1278 O ASN A 82 7.638 5.907 6.003 1.00 0.00 O ATOM 1279 CB ASN A 82 7.226 5.888 9.202 1.00 0.00 C ATOM 1280 CG ASN A 82 6.029 6.655 9.750 1.00 0.00 C ATOM 1281 OD1 ASN A 82 5.151 7.091 9.017 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.976 6.876 11.052 1.00 0.00 N ATOM 0 H ASN A 82 7.264 3.365 9.383 1.00 0.00 H new ATOM 0 HA ASN A 82 5.877 5.180 7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.677 5.313 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.976 6.601 8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.203 7.411 11.447 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.709 6.512 11.661 1.00 0.00 H new ATOM 1289 N GLU A 83 9.015 4.413 6.952 1.00 0.00 N ATOM 1290 CA GLU A 83 9.987 4.381 5.867 1.00 0.00 C ATOM 1291 C GLU A 83 9.359 3.771 4.603 1.00 0.00 C ATOM 1292 O GLU A 83 9.693 4.171 3.485 1.00 0.00 O ATOM 1293 CB GLU A 83 11.224 3.584 6.310 1.00 0.00 C ATOM 1294 CG GLU A 83 12.128 4.288 7.338 1.00 0.00 C ATOM 1295 CD GLU A 83 11.543 4.505 8.743 1.00 0.00 C ATOM 1296 OE1 GLU A 83 10.670 3.720 9.201 1.00 0.00 O ATOM 1297 OE2 GLU A 83 11.991 5.475 9.399 1.00 0.00 O ATOM 0 H GLU A 83 9.280 3.839 7.752 1.00 0.00 H new ATOM 0 HA GLU A 83 10.295 5.399 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.892 2.635 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.820 3.349 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.045 3.707 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.409 5.260 6.933 1.00 0.00 H new ATOM 1304 N GLY A 84 8.419 2.833 4.769 1.00 0.00 N ATOM 1305 CA GLY A 84 7.663 2.255 3.668 1.00 0.00 C ATOM 1306 C GLY A 84 6.543 3.175 3.178 1.00 0.00 C ATOM 1307 O GLY A 84 6.250 3.190 1.983 1.00 0.00 O ATOM 0 H GLY A 84 8.165 2.455 5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.339 2.040 2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.235 1.304 3.985 1.00 0.00 H new ATOM 1311 N LEU A 85 5.932 3.965 4.070 1.00 0.00 N ATOM 1312 CA LEU A 85 4.974 4.997 3.686 1.00 0.00 C ATOM 1313 C LEU A 85 5.655 6.048 2.817 1.00 0.00 C ATOM 1314 O LEU A 85 5.075 6.469 1.821 1.00 0.00 O ATOM 1315 CB LEU A 85 4.295 5.690 4.882 1.00 0.00 C ATOM 1316 CG LEU A 85 3.091 4.960 5.507 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.552 5.835 6.644 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.941 4.708 4.524 1.00 0.00 C ATOM 0 H LEU A 85 6.091 3.903 5.076 1.00 0.00 H new ATOM 0 HA LEU A 85 4.189 4.485 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.044 5.840 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.966 6.678 4.562 1.00 0.00 H new ATOM 0 HG LEU A 85 3.445 3.986 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.697 5.343 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.333 5.984 7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.243 6.801 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.130 4.190 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.577 5.660 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.297 4.094 3.697 1.00 0.00 H new ATOM 1330 N TRP A 86 6.879 6.455 3.162 1.00 0.00 N ATOM 1331 CA TRP A 86 7.617 7.411 2.350 1.00 0.00 C ATOM 1332 C TRP A 86 7.733 6.931 0.905 1.00 0.00 C ATOM 1333 O TRP A 86 7.500 7.715 -0.017 1.00 0.00 O ATOM 1334 CB TRP A 86 8.952 7.776 3.005 1.00 0.00 C ATOM 1335 CG TRP A 86 9.713 8.812 2.242 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.726 10.146 2.457 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.555 8.593 1.079 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.521 10.760 1.505 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.060 9.843 0.627 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.908 7.442 0.353 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.889 9.943 -0.499 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.761 7.524 -0.764 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.249 8.772 -1.186 1.00 0.00 C ATOM 0 H TRP A 86 7.374 6.136 3.995 1.00 0.00 H new ATOM 0 HA TRP A 86 7.056 8.344 2.300 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.767 8.140 4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.563 6.878 3.096 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.197 10.655 3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.688 11.765 1.458 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.519 6.481 0.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.246 10.906 -0.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.040 6.627 -1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.904 8.831 -2.043 1.00 0.00 H new ATOM 1354 N GLU A 87 8.039 5.651 0.697 1.00 0.00 N ATOM 1355 CA GLU A 87 8.207 5.098 -0.636 1.00 0.00 C ATOM 1356 C GLU A 87 6.907 5.162 -1.432 1.00 0.00 C ATOM 1357 O GLU A 87 6.903 5.674 -2.554 1.00 0.00 O ATOM 1358 CB GLU A 87 8.731 3.671 -0.558 1.00 0.00 C ATOM 1359 CG GLU A 87 10.236 3.663 -0.283 1.00 0.00 C ATOM 1360 CD GLU A 87 11.128 4.094 -1.448 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.617 4.510 -2.506 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.374 4.024 -1.329 1.00 0.00 O ATOM 0 H GLU A 87 8.176 4.975 1.448 1.00 0.00 H new ATOM 0 HA GLU A 87 8.943 5.705 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.209 3.129 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.524 3.151 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.435 4.319 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.526 2.656 0.019 1.00 0.00 H new ATOM 1369 N ILE A 88 5.811 4.636 -0.878 1.00 0.00 N ATOM 1370 CA ILE A 88 4.549 4.516 -1.605 1.00 0.00 C ATOM 1371 C ILE A 88 3.954 5.907 -1.890 1.00 0.00 C ATOM 1372 O ILE A 88 3.370 6.115 -2.952 1.00 0.00 O ATOM 1373 CB ILE A 88 3.611 3.563 -0.819 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.543 2.944 -1.733 1.00 0.00 C ATOM 1375 CG2 ILE A 88 2.966 4.225 0.408 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.851 1.726 -1.108 1.00 0.00 C ATOM 0 H ILE A 88 5.775 4.285 0.079 1.00 0.00 H new ATOM 0 HA ILE A 88 4.702 4.071 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 88 4.247 2.763 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.793 3.699 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.006 2.648 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.322 3.505 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.745 4.558 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.372 5.082 0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.108 1.334 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.592 0.955 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.361 2.022 -0.181 1.00 0.00 H new ATOM 1388 N GLU A 89 4.140 6.878 -0.986 1.00 0.00 N ATOM 1389 CA GLU A 89 3.717 8.264 -1.185 1.00 0.00 C ATOM 1390 C GLU A 89 4.466 8.877 -2.375 1.00 0.00 C ATOM 1391 O GLU A 89 3.859 9.591 -3.175 1.00 0.00 O ATOM 1392 CB GLU A 89 3.964 9.081 0.098 1.00 0.00 C ATOM 1393 CG GLU A 89 2.945 8.805 1.225 1.00 0.00 C ATOM 1394 CD GLU A 89 1.546 9.405 1.033 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.190 9.841 -0.084 1.00 0.00 O ATOM 1396 OE2 GLU A 89 0.765 9.398 2.016 1.00 0.00 O ATOM 0 H GLU A 89 4.594 6.718 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 89 2.650 8.284 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.966 8.864 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.938 10.142 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.843 7.726 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.356 9.186 2.160 1.00 0.00 H new ATOM 1403 N ASN A 90 5.752 8.561 -2.556 1.00 0.00 N ATOM 1404 CA ASN A 90 6.543 9.051 -3.685 1.00 0.00 C ATOM 1405 C ASN A 90 6.179 8.293 -4.962 1.00 0.00 C ATOM 1406 O ASN A 90 5.481 8.821 -5.827 1.00 0.00 O ATOM 1407 CB ASN A 90 8.048 8.942 -3.393 1.00 0.00 C ATOM 1408 CG ASN A 90 8.519 10.124 -2.567 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.936 11.142 -3.114 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.436 10.035 -1.253 1.00 0.00 N ATOM 0 H ASN A 90 6.273 7.957 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 90 6.309 10.105 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.254 8.014 -2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.604 8.902 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.721 10.822 -0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.087 9.180 -0.821 1.00 0.00 H new