USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.0998 K(o=-1.8,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.86 K(o=-1.8,f=-5.1!) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= -1.07 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.87 K(o=-0.2,f=-6.8!) USER MOD Set 3.1: A 47 SER OG : rot 101:sc= 1.05 USER MOD Set 3.2: A 49 HIS : no HE2:sc= -1.37 K(o=-0.32,f=-3) USER MOD Single : A 7 ASN : amide:sc= -0.65 K(o=-0.65,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0768 (180deg=-0.421) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00248 USER MOD Single : A 14 MET CE :methyl 179:sc= -0.943 (180deg=-0.961) USER MOD Single : A 15 ASN : amide:sc= 1.07 K(o=1.1,f=-2.4!) USER MOD Single : A 22 ASN : amide:sc= 0.783 K(o=0.78,f=-0.047) USER MOD Single : A 24 ASN : amide:sc= -2.64 K(o=-2.6,f=-5.7!) USER MOD Single : A 25 THR OG1 : rot 80:sc= 0.678 USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0.499 (180deg=0.474) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0.966) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -30:sc= 0.264 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0.974 (180deg=0.79) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 28:sc= 0.0584 USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.0334 (180deg=-0.307) USER MOD Single : A 57 TYR OH : rot 0:sc= 0.844 USER MOD Single : A 74 MET CE :methyl -141:sc= -0.122 (180deg=-0.989) USER MOD Single : A 78 GLN : amide:sc= -3.22! K(o=-3.2!,f=-2) USER MOD Single : A 83 ASN : amide:sc= 0.438 K(o=0.44,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.153 11.702 6.330 1.00 0.00 N ATOM 68 CA ASN A 7 -4.666 11.689 7.701 1.00 0.00 C ATOM 69 C ASN A 7 -5.291 13.008 8.175 1.00 0.00 C ATOM 70 O ASN A 7 -5.411 13.226 9.381 1.00 0.00 O ATOM 71 CB ASN A 7 -3.603 11.161 8.673 1.00 0.00 C ATOM 72 CG ASN A 7 -2.490 12.157 8.976 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.530 13.313 8.561 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.479 11.708 9.713 1.00 0.00 N ATOM 0 HA ASN A 7 -5.507 10.996 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.088 10.879 9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.162 10.255 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.705 12.329 9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.477 10.742 10.042 1.00 0.00 H new ATOM 81 N LYS A 8 -5.690 13.891 7.252 1.00 0.00 N ATOM 82 CA LYS A 8 -6.375 15.132 7.611 1.00 0.00 C ATOM 83 C LYS A 8 -7.716 14.814 8.278 1.00 0.00 C ATOM 84 O LYS A 8 -8.177 13.676 8.239 1.00 0.00 O ATOM 85 CB LYS A 8 -6.581 16.000 6.362 1.00 0.00 C ATOM 86 CG LYS A 8 -5.385 16.893 6.008 1.00 0.00 C ATOM 87 CD LYS A 8 -4.090 16.123 5.738 1.00 0.00 C ATOM 88 CE LYS A 8 -3.302 15.826 7.017 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.807 17.064 7.648 1.00 0.00 N ATOM 0 H LYS A 8 -5.548 13.766 6.250 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.761 15.689 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.797 15.350 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.458 16.630 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.634 17.484 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.215 17.595 6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.328 15.185 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.465 16.699 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.937 15.287 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.460 15.174 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.009 16.839 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.491 17.727 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.571 17.501 8.202 1.00 0.00 H new ATOM 103 N THR A 9 -8.349 15.813 8.893 1.00 0.00 N ATOM 104 CA THR A 9 -9.611 15.615 9.604 1.00 0.00 C ATOM 105 C THR A 9 -10.647 16.677 9.240 1.00 0.00 C ATOM 106 O THR A 9 -11.577 16.930 10.003 1.00 0.00 O ATOM 107 CB THR A 9 -9.373 15.559 11.115 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.715 16.734 11.544 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.510 14.352 11.478 1.00 0.00 C ATOM 0 H THR A 9 -8.005 16.773 8.913 1.00 0.00 H new ATOM 0 HA THR A 9 -10.022 14.657 9.287 1.00 0.00 H new ATOM 0 HB THR A 9 -10.341 15.473 11.608 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.568 16.692 12.512 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.352 14.329 12.556 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.014 13.437 11.166 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.548 14.427 10.971 1.00 0.00 H new ATOM 117 N ASP A 10 -10.493 17.308 8.071 1.00 0.00 N ATOM 118 CA ASP A 10 -11.425 18.317 7.596 1.00 0.00 C ATOM 119 C ASP A 10 -12.785 17.691 7.269 1.00 0.00 C ATOM 120 O ASP A 10 -12.864 16.506 6.948 1.00 0.00 O ATOM 121 CB ASP A 10 -10.830 19.018 6.376 1.00 0.00 C ATOM 122 CG ASP A 10 -9.548 19.761 6.742 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.665 20.931 7.167 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.467 19.153 6.594 1.00 0.00 O ATOM 0 H ASP A 10 -9.717 17.129 7.434 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.589 19.055 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.620 18.285 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.556 19.719 5.965 1.00 0.00 H new ATOM 129 N PRO A 11 -13.864 18.484 7.342 1.00 0.00 N ATOM 130 CA PRO A 11 -15.232 18.020 7.161 1.00 0.00 C ATOM 131 C PRO A 11 -15.526 17.538 5.740 1.00 0.00 C ATOM 132 O PRO A 11 -16.612 17.019 5.490 1.00 0.00 O ATOM 133 CB PRO A 11 -16.112 19.216 7.522 1.00 0.00 C ATOM 134 CG PRO A 11 -15.218 20.417 7.237 1.00 0.00 C ATOM 135 CD PRO A 11 -13.839 19.905 7.637 1.00 0.00 C ATOM 0 HA PRO A 11 -15.422 17.150 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.021 19.241 6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.421 19.185 8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.254 20.709 6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.512 21.289 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.053 20.410 7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.643 20.085 8.694 1.00 0.00 H new ATOM 143 N ARG A 12 -14.576 17.696 4.809 1.00 0.00 N ATOM 144 CA ARG A 12 -14.726 17.197 3.445 1.00 0.00 C ATOM 145 C ARG A 12 -13.577 16.275 3.058 1.00 0.00 C ATOM 146 O ARG A 12 -13.630 15.649 2.002 1.00 0.00 O ATOM 147 CB ARG A 12 -14.906 18.372 2.474 1.00 0.00 C ATOM 148 CG ARG A 12 -13.679 19.283 2.354 1.00 0.00 C ATOM 149 CD ARG A 12 -12.642 18.732 1.373 1.00 0.00 C ATOM 150 NE ARG A 12 -11.525 19.669 1.209 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.628 19.608 0.220 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.708 18.660 -0.710 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.645 20.502 0.159 1.00 0.00 N ATOM 0 H ARG A 12 -13.690 18.170 4.983 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.627 16.586 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.150 17.979 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.758 18.970 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.995 20.274 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.220 19.402 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.268 17.774 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.112 18.548 0.407 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.426 20.417 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.459 17.971 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.018 18.622 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.576 21.233 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.960 20.456 -0.595 1.00 0.00 H new ATOM 167 N SER A 13 -12.546 16.188 3.903 1.00 0.00 N ATOM 168 CA SER A 13 -11.411 15.302 3.675 1.00 0.00 C ATOM 169 C SER A 13 -11.608 13.979 4.409 1.00 0.00 C ATOM 170 O SER A 13 -10.958 12.988 4.087 1.00 0.00 O ATOM 171 CB SER A 13 -10.114 15.989 4.100 1.00 0.00 C ATOM 172 OG SER A 13 -9.959 17.193 3.376 1.00 0.00 O ATOM 0 H SER A 13 -12.479 16.732 4.763 1.00 0.00 H new ATOM 0 HA SER A 13 -11.343 15.081 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.133 16.196 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.265 15.331 3.918 1.00 0.00 H new ATOM 0 HG SER A 13 -9.128 17.635 3.650 1.00 0.00 H new ATOM 178 N MET A 14 -12.509 13.962 5.397 1.00 0.00 N ATOM 179 CA MET A 14 -12.878 12.749 6.116 1.00 0.00 C ATOM 180 C MET A 14 -13.809 11.879 5.278 1.00 0.00 C ATOM 181 O MET A 14 -14.016 10.712 5.599 1.00 0.00 O ATOM 182 CB MET A 14 -13.562 13.145 7.426 1.00 0.00 C ATOM 183 CG MET A 14 -12.513 13.523 8.472 1.00 0.00 C ATOM 184 SD MET A 14 -12.174 12.232 9.705 1.00 0.00 S ATOM 185 CE MET A 14 -11.868 10.802 8.635 1.00 0.00 C ATOM 0 H MET A 14 -13.002 14.795 5.718 1.00 0.00 H new ATOM 0 HA MET A 14 -11.980 12.168 6.324 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.235 13.985 7.255 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.171 12.318 7.792 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.583 13.772 7.961 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.843 14.424 8.990 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.628 9.934 9.248 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.759 10.593 8.043 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.033 11.018 7.969 1.00 0.00 H new ATOM 195 N ASN A 15 -14.373 12.442 4.204 1.00 0.00 N ATOM 196 CA ASN A 15 -15.283 11.723 3.329 1.00 0.00 C ATOM 197 C ASN A 15 -14.811 11.729 1.874 1.00 0.00 C ATOM 198 O ASN A 15 -15.501 11.195 1.007 1.00 0.00 O ATOM 199 CB ASN A 15 -16.709 12.254 3.494 1.00 0.00 C ATOM 200 CG ASN A 15 -16.759 13.767 3.600 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.860 14.471 2.602 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.684 14.273 4.828 1.00 0.00 N ATOM 0 H ASN A 15 -14.207 13.409 3.924 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.287 10.675 3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.313 11.933 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.155 11.816 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.710 15.283 4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.601 13.651 5.632 1.00 0.00 H new ATOM 209 N SER A 16 -13.646 12.321 1.602 1.00 0.00 N ATOM 210 CA SER A 16 -12.999 12.227 0.300 1.00 0.00 C ATOM 211 C SER A 16 -11.867 11.200 0.367 1.00 0.00 C ATOM 212 O SER A 16 -11.021 11.127 -0.522 1.00 0.00 O ATOM 213 CB SER A 16 -12.501 13.595 -0.154 1.00 0.00 C ATOM 214 OG SER A 16 -11.410 13.998 0.639 1.00 0.00 O ATOM 0 H SER A 16 -13.128 12.878 2.281 1.00 0.00 H new ATOM 0 HA SER A 16 -13.722 11.890 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.204 13.553 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.305 14.327 -0.080 1.00 0.00 H new ATOM 0 HG SER A 16 -11.095 14.877 0.340 1.00 0.00 H new ATOM 220 N ARG A 17 -11.853 10.405 1.438 1.00 0.00 N ATOM 221 CA ARG A 17 -10.811 9.434 1.731 1.00 0.00 C ATOM 222 C ARG A 17 -11.349 8.013 1.633 1.00 0.00 C ATOM 223 O ARG A 17 -12.550 7.789 1.781 1.00 0.00 O ATOM 224 CB ARG A 17 -10.285 9.747 3.128 1.00 0.00 C ATOM 225 CG ARG A 17 -9.109 8.855 3.535 1.00 0.00 C ATOM 226 CD ARG A 17 -8.606 9.327 4.895 1.00 0.00 C ATOM 227 NE ARG A 17 -8.293 10.754 4.833 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.344 11.599 5.857 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.632 11.185 7.087 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.099 12.884 5.637 1.00 0.00 N ATOM 0 H ARG A 17 -12.590 10.424 2.143 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.001 9.501 1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.974 10.791 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.093 9.627 3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.422 7.812 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.312 8.913 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.362 9.143 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.719 8.762 5.182 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.012 11.132 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.820 10.198 7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.665 11.854 7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.877 13.207 4.695 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.133 13.549 6.409 1.00 0.00 H new ATOM 244 N VAL A 18 -10.452 7.059 1.386 1.00 0.00 N ATOM 245 CA VAL A 18 -10.792 5.652 1.267 1.00 0.00 C ATOM 246 C VAL A 18 -9.967 4.841 2.259 1.00 0.00 C ATOM 247 O VAL A 18 -8.746 4.960 2.289 1.00 0.00 O ATOM 248 CB VAL A 18 -10.514 5.168 -0.157 1.00 0.00 C ATOM 249 CG1 VAL A 18 -11.001 3.731 -0.331 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.206 6.046 -1.199 1.00 0.00 C ATOM 0 H VAL A 18 -9.458 7.250 1.262 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.851 5.519 1.486 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.436 5.224 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.797 3.399 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.480 3.083 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.074 3.685 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.984 5.669 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.283 6.025 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.845 7.071 -1.109 1.00 0.00 H new ATOM 260 N PHE A 19 -10.640 4.016 3.064 1.00 0.00 N ATOM 261 CA PHE A 19 -9.982 3.074 3.953 1.00 0.00 C ATOM 262 C PHE A 19 -9.896 1.739 3.220 1.00 0.00 C ATOM 263 O PHE A 19 -10.869 1.324 2.591 1.00 0.00 O ATOM 264 CB PHE A 19 -10.778 2.963 5.255 1.00 0.00 C ATOM 265 CG PHE A 19 -10.256 1.922 6.220 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.887 1.852 6.520 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.148 1.025 6.822 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.417 0.886 7.417 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.674 0.060 7.723 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.306 -0.014 8.021 1.00 0.00 C ATOM 0 H PHE A 19 -11.658 3.987 3.113 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.977 3.402 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.777 3.934 5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.815 2.730 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.197 2.543 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.202 1.077 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.363 0.834 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.365 -0.628 8.188 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.940 -0.759 8.711 1.00 0.00 H new ATOM 280 N ILE A 20 -8.746 1.069 3.292 1.00 0.00 N ATOM 281 CA ILE A 20 -8.530 -0.190 2.592 1.00 0.00 C ATOM 282 C ILE A 20 -7.964 -1.198 3.580 1.00 0.00 C ATOM 283 O ILE A 20 -6.753 -1.270 3.767 1.00 0.00 O ATOM 284 CB ILE A 20 -7.576 0.035 1.409 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.093 1.143 0.483 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.427 -1.275 0.623 1.00 0.00 C ATOM 287 CD1 ILE A 20 -7.029 1.572 -0.525 1.00 0.00 C ATOM 0 H ILE A 20 -7.943 1.385 3.836 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.468 -0.576 2.192 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.607 0.347 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.978 0.792 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.399 2.003 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.751 -1.120 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.022 -2.048 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.402 -1.589 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.430 2.358 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.154 1.947 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.742 0.717 -1.137 1.00 0.00 H new ATOM 299 N GLY A 21 -8.839 -1.975 4.213 1.00 0.00 N ATOM 300 CA GLY A 21 -8.458 -2.929 5.242 1.00 0.00 C ATOM 301 C GLY A 21 -8.277 -4.345 4.697 1.00 0.00 C ATOM 302 O GLY A 21 -8.580 -4.617 3.537 1.00 0.00 O ATOM 0 H GLY A 21 -9.841 -1.957 4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.528 -2.602 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.219 -2.939 6.022 1.00 0.00 H new ATOM 306 N ASN A 22 -7.778 -5.243 5.552 1.00 0.00 N ATOM 307 CA ASN A 22 -7.507 -6.640 5.231 1.00 0.00 C ATOM 308 C ASN A 22 -6.628 -6.768 3.978 1.00 0.00 C ATOM 309 O ASN A 22 -6.661 -7.780 3.281 1.00 0.00 O ATOM 310 CB ASN A 22 -8.832 -7.413 5.141 1.00 0.00 C ATOM 311 CG ASN A 22 -8.632 -8.918 5.272 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.543 -9.439 6.380 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.559 -9.630 4.149 1.00 0.00 N ATOM 0 H ASN A 22 -7.546 -5.006 6.516 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.924 -7.095 6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.505 -7.068 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.314 -7.194 4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.425 -10.640 4.193 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.637 -9.165 3.244 1.00 0.00 H new ATOM 320 N LEU A 23 -5.837 -5.732 3.689 1.00 0.00 N ATOM 321 CA LEU A 23 -5.068 -5.632 2.463 1.00 0.00 C ATOM 322 C LEU A 23 -3.830 -6.533 2.471 1.00 0.00 C ATOM 323 O LEU A 23 -3.241 -6.799 3.517 1.00 0.00 O ATOM 324 CB LEU A 23 -4.706 -4.154 2.265 1.00 0.00 C ATOM 325 CG LEU A 23 -3.941 -3.864 0.973 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.748 -4.248 -0.263 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.654 -2.370 0.900 1.00 0.00 C ATOM 0 H LEU A 23 -5.716 -4.934 4.312 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.666 -5.988 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.622 -3.563 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.106 -3.822 3.112 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.024 -4.453 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.169 -4.026 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.975 -5.314 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.678 -3.679 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.108 -2.149 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.594 -1.818 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.054 -2.072 1.760 1.00 0.00 H new ATOM 339 N ASN A 24 -3.443 -6.998 1.280 1.00 0.00 N ATOM 340 CA ASN A 24 -2.244 -7.782 1.016 1.00 0.00 C ATOM 341 C ASN A 24 -0.995 -6.899 1.040 1.00 0.00 C ATOM 342 O ASN A 24 -0.244 -6.834 0.067 1.00 0.00 O ATOM 343 CB ASN A 24 -2.432 -8.466 -0.341 1.00 0.00 C ATOM 344 CG ASN A 24 -2.909 -7.465 -1.387 1.00 0.00 C ATOM 345 OD1 ASN A 24 -4.103 -7.241 -1.531 1.00 0.00 O ATOM 346 ND2 ASN A 24 -1.983 -6.859 -2.119 1.00 0.00 N ATOM 0 H ASN A 24 -3.988 -6.827 0.435 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.098 -8.534 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.491 -8.914 -0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.156 -9.276 -0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.258 -6.181 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.996 -7.071 -1.971 1.00 0.00 H new ATOM 353 N THR A 25 -0.767 -6.211 2.159 1.00 0.00 N ATOM 354 CA THR A 25 0.285 -5.211 2.292 1.00 0.00 C ATOM 355 C THR A 25 1.703 -5.784 2.224 1.00 0.00 C ATOM 356 O THR A 25 2.666 -5.024 2.261 1.00 0.00 O ATOM 357 CB THR A 25 0.087 -4.453 3.600 1.00 0.00 C ATOM 358 OG1 THR A 25 0.189 -5.352 4.685 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.301 -3.820 3.626 1.00 0.00 C ATOM 0 H THR A 25 -1.317 -6.337 3.009 1.00 0.00 H new ATOM 0 HA THR A 25 0.196 -4.543 1.435 1.00 0.00 H new ATOM 0 HB THR A 25 0.850 -3.678 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.134 -5.526 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.437 -3.280 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.401 -3.128 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.058 -4.600 3.544 1.00 0.00 H new ATOM 367 N LEU A 26 1.834 -7.110 2.127 1.00 0.00 N ATOM 368 CA LEU A 26 3.129 -7.767 2.011 1.00 0.00 C ATOM 369 C LEU A 26 3.496 -8.000 0.547 1.00 0.00 C ATOM 370 O LEU A 26 4.564 -8.541 0.261 1.00 0.00 O ATOM 371 CB LEU A 26 3.162 -9.062 2.832 1.00 0.00 C ATOM 372 CG LEU A 26 1.953 -9.971 2.600 1.00 0.00 C ATOM 373 CD1 LEU A 26 2.353 -11.427 2.830 1.00 0.00 C ATOM 374 CD2 LEU A 26 0.830 -9.629 3.573 1.00 0.00 C ATOM 0 H LEU A 26 1.043 -7.754 2.127 1.00 0.00 H new ATOM 0 HA LEU A 26 3.889 -7.106 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.071 -9.612 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.217 -8.809 3.891 1.00 0.00 H new ATOM 0 HG LEU A 26 1.610 -9.824 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.490 -12.072 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.149 -11.700 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.706 -11.550 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.021 -10.286 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.181 -9.763 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.525 -8.593 3.427 1.00 0.00 H new ATOM 386 N VAL A 27 2.621 -7.592 -0.380 1.00 0.00 N ATOM 387 CA VAL A 27 2.888 -7.682 -1.811 1.00 0.00 C ATOM 388 C VAL A 27 2.569 -6.354 -2.496 1.00 0.00 C ATOM 389 O VAL A 27 3.136 -6.054 -3.544 1.00 0.00 O ATOM 390 CB VAL A 27 2.063 -8.818 -2.424 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.339 -8.937 -3.925 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.406 -10.156 -1.767 1.00 0.00 C ATOM 0 H VAL A 27 1.711 -7.191 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 27 3.946 -7.897 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 27 1.012 -8.583 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.743 -9.749 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.073 -8.002 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.397 -9.144 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.808 -10.947 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.464 -10.373 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.191 -10.103 -0.700 1.00 0.00 H new ATOM 402 N VAL A 28 1.667 -5.551 -1.919 1.00 0.00 N ATOM 403 CA VAL A 28 1.308 -4.255 -2.477 1.00 0.00 C ATOM 404 C VAL A 28 2.313 -3.195 -2.035 1.00 0.00 C ATOM 405 O VAL A 28 3.121 -3.433 -1.136 1.00 0.00 O ATOM 406 CB VAL A 28 -0.130 -3.899 -2.068 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.152 -2.927 -0.889 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.895 -3.275 -3.236 1.00 0.00 C ATOM 0 H VAL A 28 1.172 -5.785 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 28 1.343 -4.297 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.613 -4.830 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.185 -2.697 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.347 -3.382 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.365 -2.008 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.909 -3.033 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.389 -2.365 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.933 -3.982 -4.065 1.00 0.00 H new ATOM 418 N LYS A 29 2.259 -2.022 -2.669 1.00 0.00 N ATOM 419 CA LYS A 29 3.068 -0.868 -2.299 1.00 0.00 C ATOM 420 C LYS A 29 2.288 0.411 -2.561 1.00 0.00 C ATOM 421 O LYS A 29 1.201 0.376 -3.134 1.00 0.00 O ATOM 422 CB LYS A 29 4.380 -0.862 -3.087 1.00 0.00 C ATOM 423 CG LYS A 29 4.167 -1.013 -4.597 1.00 0.00 C ATOM 424 CD LYS A 29 4.913 -2.226 -5.154 1.00 0.00 C ATOM 425 CE LYS A 29 4.403 -3.532 -4.540 1.00 0.00 C ATOM 426 NZ LYS A 29 5.074 -4.697 -5.142 1.00 0.00 N ATOM 0 H LYS A 29 1.643 -1.849 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 29 3.306 -0.928 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.912 0.069 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.016 -1.673 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.102 -1.113 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.508 -0.111 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.794 -2.261 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.979 -2.121 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.577 -3.524 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.326 -3.611 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.640 -5.571 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.973 -4.660 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.083 -4.684 -4.892 1.00 0.00 H new ATOM 440 N LYS A 30 2.846 1.545 -2.145 1.00 0.00 N ATOM 441 CA LYS A 30 2.191 2.832 -2.342 1.00 0.00 C ATOM 442 C LYS A 30 1.992 3.109 -3.830 1.00 0.00 C ATOM 443 O LYS A 30 1.002 3.726 -4.209 1.00 0.00 O ATOM 444 CB LYS A 30 3.017 3.938 -1.681 1.00 0.00 C ATOM 445 CG LYS A 30 2.389 5.290 -2.023 1.00 0.00 C ATOM 446 CD LYS A 30 3.024 6.414 -1.213 1.00 0.00 C ATOM 447 CE LYS A 30 2.374 7.737 -1.610 1.00 0.00 C ATOM 448 NZ LYS A 30 2.750 8.150 -2.978 1.00 0.00 N ATOM 0 H LYS A 30 3.748 1.597 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 30 1.207 2.808 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.043 3.796 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.048 3.901 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.511 5.492 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.318 5.257 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.889 6.233 -0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.098 6.451 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.290 7.642 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.669 8.512 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.475 9.142 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.778 8.053 -3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.262 7.546 -3.670 1.00 0.00 H new ATOM 462 N SER A 31 2.929 2.648 -4.665 1.00 0.00 N ATOM 463 CA SER A 31 2.878 2.880 -6.100 1.00 0.00 C ATOM 464 C SER A 31 1.866 1.953 -6.764 1.00 0.00 C ATOM 465 O SER A 31 1.559 2.122 -7.944 1.00 0.00 O ATOM 466 CB SER A 31 4.269 2.685 -6.702 1.00 0.00 C ATOM 467 OG SER A 31 5.195 3.539 -6.061 1.00 0.00 O ATOM 0 H SER A 31 3.738 2.107 -4.360 1.00 0.00 H new ATOM 0 HA SER A 31 2.555 3.906 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.581 1.647 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.245 2.897 -7.771 1.00 0.00 H new ATOM 0 HG SER A 31 6.085 3.408 -6.450 1.00 0.00 H new ATOM 473 N ASP A 32 1.350 0.978 -6.014 1.00 0.00 N ATOM 474 CA ASP A 32 0.311 0.090 -6.494 1.00 0.00 C ATOM 475 C ASP A 32 -1.051 0.612 -6.054 1.00 0.00 C ATOM 476 O ASP A 32 -1.999 0.581 -6.833 1.00 0.00 O ATOM 477 CB ASP A 32 0.556 -1.317 -5.946 1.00 0.00 C ATOM 478 CG ASP A 32 1.593 -2.100 -6.749 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.156 -1.529 -7.713 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.815 -3.277 -6.385 1.00 0.00 O ATOM 0 H ASP A 32 1.647 0.788 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 32 0.329 0.050 -7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.886 -1.245 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.384 -1.868 -5.943 1.00 0.00 H new ATOM 485 N VAL A 33 -1.165 1.098 -4.815 1.00 0.00 N ATOM 486 CA VAL A 33 -2.449 1.575 -4.318 1.00 0.00 C ATOM 487 C VAL A 33 -2.846 2.857 -5.048 1.00 0.00 C ATOM 488 O VAL A 33 -4.026 3.059 -5.325 1.00 0.00 O ATOM 489 CB VAL A 33 -2.381 1.769 -2.801 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.698 2.325 -2.266 1.00 0.00 C ATOM 491 CG2 VAL A 33 -2.121 0.425 -2.120 1.00 0.00 C ATOM 0 H VAL A 33 -0.395 1.169 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.222 0.833 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.575 2.471 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.626 2.455 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.903 3.288 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.506 1.630 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.073 0.567 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.929 -0.267 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.175 0.015 -2.474 1.00 0.00 H new ATOM 501 N GLU A 34 -1.884 3.727 -5.372 1.00 0.00 N ATOM 502 CA GLU A 34 -2.191 4.921 -6.151 1.00 0.00 C ATOM 503 C GLU A 34 -2.344 4.604 -7.640 1.00 0.00 C ATOM 504 O GLU A 34 -2.513 5.510 -8.450 1.00 0.00 O ATOM 505 CB GLU A 34 -1.159 6.026 -5.893 1.00 0.00 C ATOM 506 CG GLU A 34 0.181 5.791 -6.591 1.00 0.00 C ATOM 507 CD GLU A 34 1.152 6.913 -6.235 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.851 6.777 -5.206 1.00 0.00 O ATOM 509 OE2 GLU A 34 1.193 7.906 -6.994 1.00 0.00 O ATOM 0 H GLU A 34 -0.903 3.626 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.158 5.298 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.570 6.979 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.990 6.109 -4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.595 4.829 -6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.037 5.751 -7.671 1.00 0.00 H new ATOM 516 N ALA A 35 -2.284 3.317 -8.003 1.00 0.00 N ATOM 517 CA ALA A 35 -2.447 2.870 -9.378 1.00 0.00 C ATOM 518 C ALA A 35 -3.667 1.955 -9.528 1.00 0.00 C ATOM 519 O ALA A 35 -4.060 1.632 -10.647 1.00 0.00 O ATOM 520 CB ALA A 35 -1.168 2.152 -9.804 1.00 0.00 C ATOM 0 H ALA A 35 -2.120 2.558 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.621 3.732 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.269 1.808 -10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.324 2.838 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.996 1.296 -9.151 1.00 0.00 H new ATOM 526 N ILE A 36 -4.265 1.540 -8.408 1.00 0.00 N ATOM 527 CA ILE A 36 -5.444 0.683 -8.395 1.00 0.00 C ATOM 528 C ILE A 36 -6.695 1.503 -8.089 1.00 0.00 C ATOM 529 O ILE A 36 -7.805 1.089 -8.418 1.00 0.00 O ATOM 530 CB ILE A 36 -5.213 -0.431 -7.365 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.101 -1.361 -7.863 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.478 -1.257 -7.123 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.499 -2.160 -6.708 1.00 0.00 C ATOM 0 H ILE A 36 -3.937 1.795 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.603 0.230 -9.374 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.930 0.041 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.501 -2.044 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.322 -0.774 -8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.270 -2.034 -6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.271 -0.608 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.796 -1.718 -8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.712 -2.812 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.078 -1.475 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.276 -2.764 -6.239 1.00 0.00 H new ATOM 545 N PHE A 37 -6.517 2.670 -7.456 1.00 0.00 N ATOM 546 CA PHE A 37 -7.619 3.546 -7.095 1.00 0.00 C ATOM 547 C PHE A 37 -7.634 4.820 -7.943 1.00 0.00 C ATOM 548 O PHE A 37 -8.580 5.599 -7.856 1.00 0.00 O ATOM 549 CB PHE A 37 -7.529 3.838 -5.595 1.00 0.00 C ATOM 550 CG PHE A 37 -7.878 2.647 -4.735 1.00 0.00 C ATOM 551 CD1 PHE A 37 -7.008 1.550 -4.667 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.076 2.636 -4.006 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.342 0.435 -3.889 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.412 1.518 -3.226 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.543 0.416 -3.167 1.00 0.00 C ATOM 0 H PHE A 37 -5.601 3.026 -7.183 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.568 3.052 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.518 4.167 -5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.199 4.663 -5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.078 1.565 -5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.740 3.487 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.673 -0.412 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.339 1.505 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.800 -0.444 -2.566 1.00 0.00 H new ATOM 565 N SER A 38 -6.608 5.044 -8.768 1.00 0.00 N ATOM 566 CA SER A 38 -6.561 6.220 -9.630 1.00 0.00 C ATOM 567 C SER A 38 -7.493 6.064 -10.836 1.00 0.00 C ATOM 568 O SER A 38 -7.727 7.022 -11.573 1.00 0.00 O ATOM 569 CB SER A 38 -5.117 6.471 -10.059 1.00 0.00 C ATOM 570 OG SER A 38 -5.022 7.656 -10.818 1.00 0.00 O ATOM 0 H SER A 38 -5.802 4.426 -8.855 1.00 0.00 H new ATOM 0 HA SER A 38 -6.917 7.087 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.478 6.545 -9.179 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.755 5.627 -10.646 1.00 0.00 H new ATOM 0 HG SER A 38 -5.860 7.801 -11.305 1.00 0.00 H new ATOM 576 N LYS A 39 -8.036 4.859 -11.048 1.00 0.00 N ATOM 577 CA LYS A 39 -8.985 4.594 -12.122 1.00 0.00 C ATOM 578 C LYS A 39 -10.405 5.018 -11.741 1.00 0.00 C ATOM 579 O LYS A 39 -11.301 4.984 -12.583 1.00 0.00 O ATOM 580 CB LYS A 39 -8.945 3.111 -12.499 1.00 0.00 C ATOM 581 CG LYS A 39 -9.430 2.240 -11.336 1.00 0.00 C ATOM 582 CD LYS A 39 -9.534 0.777 -11.766 1.00 0.00 C ATOM 583 CE LYS A 39 -10.071 -0.042 -10.596 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.311 -1.443 -10.981 1.00 0.00 N ATOM 0 H LYS A 39 -7.825 4.042 -10.475 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.692 5.190 -12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.570 2.937 -13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.928 2.828 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.741 2.330 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.402 2.593 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.195 0.683 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.557 0.403 -12.072 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.360 -0.007 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.999 0.401 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.845 -1.923 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.857 -1.471 -11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.400 -1.925 -11.121 1.00 0.00 H new ATOM 598 N TYR A 40 -10.607 5.411 -10.481 1.00 0.00 N ATOM 599 CA TYR A 40 -11.912 5.801 -9.966 1.00 0.00 C ATOM 600 C TYR A 40 -11.928 7.249 -9.475 1.00 0.00 C ATOM 601 O TYR A 40 -12.973 7.736 -9.046 1.00 0.00 O ATOM 602 CB TYR A 40 -12.334 4.835 -8.856 1.00 0.00 C ATOM 603 CG TYR A 40 -13.046 3.597 -9.354 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.198 3.732 -10.145 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.571 2.321 -9.021 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.879 2.594 -10.603 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.248 1.178 -9.472 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.406 1.310 -10.264 1.00 0.00 C ATOM 609 OH TYR A 40 -15.068 0.204 -10.703 1.00 0.00 O ATOM 0 H TYR A 40 -9.861 5.466 -9.788 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.632 5.744 -10.783 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.449 4.532 -8.297 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.987 5.361 -8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.562 4.716 -10.402 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.682 2.218 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.763 2.701 -11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.881 0.196 -9.212 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.610 -0.601 -10.381 1.00 0.00 H new ATOM 619 N GLY A 41 -10.790 7.945 -9.526 1.00 0.00 N ATOM 620 CA GLY A 41 -10.743 9.336 -9.115 1.00 0.00 C ATOM 621 C GLY A 41 -9.326 9.896 -9.089 1.00 0.00 C ATOM 622 O GLY A 41 -8.353 9.150 -9.193 1.00 0.00 O ATOM 0 H GLY A 41 -9.899 7.565 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.352 9.932 -9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.185 9.432 -8.123 1.00 0.00 H new ATOM 626 N LYS A 42 -9.222 11.221 -8.951 1.00 0.00 N ATOM 627 CA LYS A 42 -7.941 11.905 -8.851 1.00 0.00 C ATOM 628 C LYS A 42 -7.403 11.750 -7.437 1.00 0.00 C ATOM 629 O LYS A 42 -7.985 12.272 -6.488 1.00 0.00 O ATOM 630 CB LYS A 42 -8.124 13.386 -9.203 1.00 0.00 C ATOM 631 CG LYS A 42 -6.892 14.220 -8.832 1.00 0.00 C ATOM 632 CD LYS A 42 -5.616 13.748 -9.531 1.00 0.00 C ATOM 633 CE LYS A 42 -4.432 14.522 -8.948 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.162 14.126 -9.585 1.00 0.00 N ATOM 0 H LYS A 42 -10.028 11.845 -8.906 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.227 11.469 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.320 13.484 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.997 13.778 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.076 15.263 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.744 14.179 -7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.478 12.677 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.687 13.917 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.592 15.591 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.373 14.344 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.380 14.669 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.999 13.110 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.211 14.319 -10.606 1.00 0.00 H new ATOM 648 N ILE A 43 -6.288 11.032 -7.293 1.00 0.00 N ATOM 649 CA ILE A 43 -5.651 10.865 -6.000 1.00 0.00 C ATOM 650 C ILE A 43 -4.694 12.030 -5.772 1.00 0.00 C ATOM 651 O ILE A 43 -3.874 12.338 -6.637 1.00 0.00 O ATOM 652 CB ILE A 43 -4.944 9.506 -5.929 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.978 8.387 -6.099 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.238 9.368 -4.581 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.371 6.985 -5.994 1.00 0.00 C ATOM 0 H ILE A 43 -5.812 10.559 -8.061 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.395 10.873 -5.204 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.204 9.434 -6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.753 8.498 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.464 8.494 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.736 8.402 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.503 10.165 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.971 9.438 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.155 6.239 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.616 6.856 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.909 6.861 -5.014 1.00 0.00 H new ATOM 667 N VAL A 44 -4.802 12.671 -4.608 1.00 0.00 N ATOM 668 CA VAL A 44 -3.940 13.780 -4.219 1.00 0.00 C ATOM 669 C VAL A 44 -3.160 13.434 -2.953 1.00 0.00 C ATOM 670 O VAL A 44 -2.475 14.285 -2.392 1.00 0.00 O ATOM 671 CB VAL A 44 -4.759 15.059 -4.047 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.251 15.553 -5.405 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.962 14.831 -3.133 1.00 0.00 C ATOM 0 H VAL A 44 -5.499 12.430 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.215 13.957 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.111 15.807 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.833 16.465 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.396 15.760 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.875 14.788 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.523 15.760 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.605 14.063 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.617 14.507 -2.151 1.00 0.00 H new ATOM 683 N GLY A 45 -3.266 12.181 -2.507 1.00 0.00 N ATOM 684 CA GLY A 45 -2.534 11.678 -1.358 1.00 0.00 C ATOM 685 C GLY A 45 -2.746 10.174 -1.238 1.00 0.00 C ATOM 686 O GLY A 45 -3.825 9.676 -1.557 1.00 0.00 O ATOM 0 H GLY A 45 -3.871 11.485 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.472 11.899 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.873 12.177 -0.450 1.00 0.00 H new ATOM 690 N CYS A 46 -1.732 9.437 -0.784 1.00 0.00 N ATOM 691 CA CYS A 46 -1.831 7.996 -0.626 1.00 0.00 C ATOM 692 C CYS A 46 -0.830 7.521 0.424 1.00 0.00 C ATOM 693 O CYS A 46 0.264 8.069 0.528 1.00 0.00 O ATOM 694 CB CYS A 46 -1.557 7.334 -1.977 1.00 0.00 C ATOM 695 SG CYS A 46 -1.721 5.533 -1.830 1.00 0.00 S ATOM 0 H CYS A 46 -0.827 9.824 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.831 7.722 -0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.255 7.711 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.554 7.589 -2.320 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.562 5.250 -0.880 1.00 0.00 H new ATOM 701 N SER A 47 -1.197 6.504 1.202 1.00 0.00 N ATOM 702 CA SER A 47 -0.288 5.899 2.164 1.00 0.00 C ATOM 703 C SER A 47 -0.604 4.417 2.318 1.00 0.00 C ATOM 704 O SER A 47 -1.718 3.978 2.029 1.00 0.00 O ATOM 705 CB SER A 47 -0.357 6.619 3.513 1.00 0.00 C ATOM 706 OG SER A 47 -1.606 6.414 4.134 1.00 0.00 O ATOM 0 H SER A 47 -2.125 6.082 1.181 1.00 0.00 H new ATOM 0 HA SER A 47 0.731 6.000 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.440 6.257 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.190 7.686 3.368 1.00 0.00 H new ATOM 0 HG SER A 47 -1.517 5.730 4.830 1.00 0.00 H new ATOM 712 N VAL A 48 0.376 3.638 2.776 1.00 0.00 N ATOM 713 CA VAL A 48 0.218 2.201 2.942 1.00 0.00 C ATOM 714 C VAL A 48 0.859 1.775 4.252 1.00 0.00 C ATOM 715 O VAL A 48 1.872 2.341 4.667 1.00 0.00 O ATOM 716 CB VAL A 48 0.830 1.465 1.748 1.00 0.00 C ATOM 717 CG1 VAL A 48 0.677 -0.049 1.906 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.141 1.891 0.450 1.00 0.00 C ATOM 0 H VAL A 48 1.297 3.988 3.040 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.841 1.944 2.979 1.00 0.00 H new ATOM 0 HB VAL A 48 1.889 1.722 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.119 -0.551 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.184 -0.373 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.381 -0.303 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.587 1.359 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.921 1.653 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.266 2.964 0.307 1.00 0.00 H new ATOM 728 N HIS A 49 0.264 0.773 4.900 1.00 0.00 N ATOM 729 CA HIS A 49 0.667 0.315 6.220 1.00 0.00 C ATOM 730 C HIS A 49 0.575 -1.209 6.259 1.00 0.00 C ATOM 731 O HIS A 49 0.386 -1.831 5.214 1.00 0.00 O ATOM 732 CB HIS A 49 -0.261 0.965 7.251 1.00 0.00 C ATOM 733 CG HIS A 49 -0.454 2.440 7.004 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.308 3.471 7.555 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.409 2.977 6.186 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.198 4.603 7.038 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.225 4.340 6.217 1.00 0.00 N ATOM 0 H HIS A 49 -0.523 0.252 4.512 1.00 0.00 H new ATOM 0 HA HIS A 49 1.695 0.597 6.448 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.230 0.466 7.229 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.150 0.818 8.250 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.084 3.384 8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.159 2.438 5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.173 5.594 7.255 1.00 0.00 H new ATOM 745 N LYS A 50 0.699 -1.827 7.438 1.00 0.00 N ATOM 746 CA LYS A 50 0.488 -3.265 7.560 1.00 0.00 C ATOM 747 C LYS A 50 -1.001 -3.562 7.712 1.00 0.00 C ATOM 748 O LYS A 50 -1.676 -2.964 8.547 1.00 0.00 O ATOM 749 CB LYS A 50 1.271 -3.835 8.750 1.00 0.00 C ATOM 750 CG LYS A 50 2.739 -4.137 8.415 1.00 0.00 C ATOM 751 CD LYS A 50 2.839 -5.184 7.299 1.00 0.00 C ATOM 752 CE LYS A 50 4.240 -5.788 7.224 1.00 0.00 C ATOM 753 NZ LYS A 50 4.523 -6.631 8.400 1.00 0.00 N ATOM 0 H LYS A 50 0.942 -1.357 8.310 1.00 0.00 H new ATOM 0 HA LYS A 50 0.855 -3.746 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.232 -3.126 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.787 -4.750 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.242 -3.221 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.253 -4.498 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.109 -5.975 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.588 -4.724 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.334 -6.384 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.980 -4.990 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.304 -7.282 8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.791 -6.027 9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.674 -7.179 8.646 1.00 0.00 H new ATOM 767 N GLY A 51 -1.503 -4.488 6.894 1.00 0.00 N ATOM 768 CA GLY A 51 -2.887 -4.943 6.922 1.00 0.00 C ATOM 769 C GLY A 51 -3.889 -3.925 6.382 1.00 0.00 C ATOM 770 O GLY A 51 -5.040 -4.285 6.148 1.00 0.00 O ATOM 0 H GLY A 51 -0.943 -4.951 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.968 -5.861 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.156 -5.192 7.949 1.00 0.00 H new ATOM 774 N PHE A 52 -3.482 -2.669 6.175 1.00 0.00 N ATOM 775 CA PHE A 52 -4.375 -1.658 5.633 1.00 0.00 C ATOM 776 C PHE A 52 -3.600 -0.599 4.857 1.00 0.00 C ATOM 777 O PHE A 52 -2.376 -0.521 4.934 1.00 0.00 O ATOM 778 CB PHE A 52 -5.184 -0.991 6.752 1.00 0.00 C ATOM 779 CG PHE A 52 -4.346 -0.224 7.745 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.809 -0.873 8.865 1.00 0.00 C ATOM 781 CD2 PHE A 52 -4.110 1.142 7.547 1.00 0.00 C ATOM 782 CE1 PHE A 52 -3.018 -0.159 9.777 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.324 1.854 8.460 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.771 1.204 9.571 1.00 0.00 C ATOM 0 H PHE A 52 -2.540 -2.335 6.376 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.061 -2.158 4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.911 -0.312 6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.748 -1.757 7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.004 -1.923 9.026 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.534 1.645 6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.600 -0.660 10.637 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.143 2.908 8.308 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.155 1.753 10.268 1.00 0.00 H new ATOM 794 N ALA A 53 -4.332 0.221 4.102 1.00 0.00 N ATOM 795 CA ALA A 53 -3.782 1.334 3.351 1.00 0.00 C ATOM 796 C ALA A 53 -4.822 2.447 3.256 1.00 0.00 C ATOM 797 O ALA A 53 -5.981 2.253 3.621 1.00 0.00 O ATOM 798 CB ALA A 53 -3.370 0.855 1.962 1.00 0.00 C ATOM 0 H ALA A 53 -5.342 0.123 3.998 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.901 1.726 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.957 1.690 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.617 0.072 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.241 0.460 1.440 1.00 0.00 H new ATOM 804 N PHE A 54 -4.402 3.615 2.768 1.00 0.00 N ATOM 805 CA PHE A 54 -5.281 4.768 2.642 1.00 0.00 C ATOM 806 C PHE A 54 -5.059 5.504 1.327 1.00 0.00 C ATOM 807 O PHE A 54 -3.954 5.527 0.789 1.00 0.00 O ATOM 808 CB PHE A 54 -5.051 5.723 3.817 1.00 0.00 C ATOM 809 CG PHE A 54 -5.914 5.429 5.017 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.261 5.810 4.995 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.384 4.787 6.145 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.089 5.540 6.092 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.210 4.515 7.242 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.560 4.892 7.213 1.00 0.00 C ATOM 0 H PHE A 54 -3.447 3.784 2.452 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.310 4.408 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.003 5.674 4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.241 6.744 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.663 6.314 4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.342 4.503 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.129 5.830 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.807 4.015 8.110 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.195 4.681 8.061 1.00 0.00 H new ATOM 824 N VAL A 55 -6.135 6.110 0.822 1.00 0.00 N ATOM 825 CA VAL A 55 -6.115 6.919 -0.387 1.00 0.00 C ATOM 826 C VAL A 55 -6.901 8.196 -0.121 1.00 0.00 C ATOM 827 O VAL A 55 -7.952 8.155 0.513 1.00 0.00 O ATOM 828 CB VAL A 55 -6.707 6.137 -1.563 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.813 7.023 -2.805 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.828 4.936 -1.895 1.00 0.00 C ATOM 0 H VAL A 55 -7.058 6.048 1.253 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.089 7.174 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.702 5.800 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.236 6.447 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.457 7.875 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.821 7.379 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.261 4.389 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.829 5.279 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.765 4.280 -1.027 1.00 0.00 H new ATOM 840 N GLN A 56 -6.389 9.324 -0.607 1.00 0.00 N ATOM 841 CA GLN A 56 -7.008 10.626 -0.436 1.00 0.00 C ATOM 842 C GLN A 56 -7.369 11.195 -1.803 1.00 0.00 C ATOM 843 O GLN A 56 -6.488 11.536 -2.595 1.00 0.00 O ATOM 844 CB GLN A 56 -6.029 11.531 0.322 1.00 0.00 C ATOM 845 CG GLN A 56 -6.615 12.902 0.649 1.00 0.00 C ATOM 846 CD GLN A 56 -7.712 12.797 1.695 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.442 12.765 2.893 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.964 12.736 1.258 1.00 0.00 N ATOM 0 H GLN A 56 -5.519 9.354 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.929 10.552 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.731 11.039 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.126 11.661 -0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.826 13.560 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.016 13.354 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.157 12.765 0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.733 12.660 1.923 1.00 0.00 H new ATOM 857 N TYR A 57 -8.670 11.296 -2.074 1.00 0.00 N ATOM 858 CA TYR A 57 -9.184 11.883 -3.303 1.00 0.00 C ATOM 859 C TYR A 57 -9.411 13.381 -3.117 1.00 0.00 C ATOM 860 O TYR A 57 -9.158 13.927 -2.043 1.00 0.00 O ATOM 861 CB TYR A 57 -10.488 11.201 -3.711 1.00 0.00 C ATOM 862 CG TYR A 57 -10.347 9.789 -4.229 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.433 9.504 -5.253 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.161 8.777 -3.703 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.374 8.213 -5.799 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.105 7.486 -4.244 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.220 7.204 -5.299 1.00 0.00 C ATOM 868 OH TYR A 57 -10.190 5.956 -5.834 1.00 0.00 O ATOM 0 H TYR A 57 -9.399 10.969 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.449 11.734 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.157 11.189 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.969 11.806 -4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.775 10.277 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.830 8.992 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.683 7.994 -6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.742 6.707 -3.851 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.529 5.926 -6.557 1.00 0.00 H new ATOM 878 N VAL A 58 -9.890 14.042 -4.173 1.00 0.00 N ATOM 879 CA VAL A 58 -10.144 15.476 -4.146 1.00 0.00 C ATOM 880 C VAL A 58 -11.516 15.770 -3.541 1.00 0.00 C ATOM 881 O VAL A 58 -11.733 16.846 -2.981 1.00 0.00 O ATOM 882 CB VAL A 58 -10.043 16.028 -5.574 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.372 17.522 -5.625 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.626 15.841 -6.105 1.00 0.00 C ATOM 0 H VAL A 58 -10.110 13.597 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.399 15.966 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.762 15.481 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.290 17.878 -6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.388 17.683 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.672 18.070 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.563 16.235 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.924 16.374 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.377 14.780 -6.112 1.00 0.00 H new ATOM 894 N ASN A 59 -12.452 14.822 -3.649 1.00 0.00 N ATOM 895 CA ASN A 59 -13.815 15.002 -3.172 1.00 0.00 C ATOM 896 C ASN A 59 -14.451 13.672 -2.761 1.00 0.00 C ATOM 897 O ASN A 59 -13.862 12.609 -2.935 1.00 0.00 O ATOM 898 CB ASN A 59 -14.638 15.674 -4.270 1.00 0.00 C ATOM 899 CG ASN A 59 -14.700 14.825 -5.528 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.176 13.696 -5.501 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.220 15.357 -6.642 1.00 0.00 N ATOM 0 H ASN A 59 -12.280 13.909 -4.071 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.795 15.633 -2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.649 15.858 -3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.203 16.645 -4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.240 14.824 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.831 16.300 -6.630 1.00 0.00 H new ATOM 908 N GLU A 60 -15.669 13.745 -2.214 1.00 0.00 N ATOM 909 CA GLU A 60 -16.398 12.580 -1.729 1.00 0.00 C ATOM 910 C GLU A 60 -16.882 11.700 -2.874 1.00 0.00 C ATOM 911 O GLU A 60 -16.919 10.479 -2.746 1.00 0.00 O ATOM 912 CB GLU A 60 -17.579 13.070 -0.886 1.00 0.00 C ATOM 913 CG GLU A 60 -18.610 11.963 -0.669 1.00 0.00 C ATOM 914 CD GLU A 60 -19.663 12.364 0.363 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.179 13.500 0.259 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.947 11.525 1.245 1.00 0.00 O ATOM 0 H GLU A 60 -16.176 14.622 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.731 11.966 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.216 13.425 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.053 13.918 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.098 11.730 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.105 11.055 -0.339 1.00 0.00 H new ATOM 923 N ARG A 61 -17.252 12.315 -3.996 1.00 0.00 N ATOM 924 CA ARG A 61 -17.757 11.603 -5.159 1.00 0.00 C ATOM 925 C ARG A 61 -16.726 10.576 -5.633 1.00 0.00 C ATOM 926 O ARG A 61 -17.082 9.463 -6.020 1.00 0.00 O ATOM 927 CB ARG A 61 -18.098 12.674 -6.206 1.00 0.00 C ATOM 928 CG ARG A 61 -17.749 12.314 -7.653 1.00 0.00 C ATOM 929 CD ARG A 61 -18.639 11.192 -8.189 1.00 0.00 C ATOM 930 NE ARG A 61 -18.292 10.860 -9.576 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.780 11.481 -10.653 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.646 12.483 -10.534 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.399 11.102 -11.870 1.00 0.00 N ATOM 0 H ARG A 61 -17.208 13.326 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.655 11.023 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.166 12.886 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.576 13.594 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.857 13.197 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.704 12.008 -7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.531 10.307 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.684 11.495 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.630 10.099 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.948 12.789 -9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.008 12.946 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.734 10.337 -11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.772 11.577 -12.692 1.00 0.00 H new ATOM 947 N ASN A 62 -15.445 10.941 -5.603 1.00 0.00 N ATOM 948 CA ASN A 62 -14.373 10.053 -6.012 1.00 0.00 C ATOM 949 C ASN A 62 -14.245 8.890 -5.022 1.00 0.00 C ATOM 950 O ASN A 62 -13.929 7.766 -5.412 1.00 0.00 O ATOM 951 CB ASN A 62 -13.075 10.865 -6.075 1.00 0.00 C ATOM 952 CG ASN A 62 -12.962 11.692 -7.353 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.924 11.689 -8.006 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.013 12.409 -7.733 1.00 0.00 N ATOM 0 H ASN A 62 -15.128 11.860 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.585 9.629 -6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.023 11.528 -5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.223 10.188 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.966 12.971 -8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.867 12.397 -7.175 1.00 0.00 H new ATOM 961 N ALA A 63 -14.495 9.145 -3.734 1.00 0.00 N ATOM 962 CA ALA A 63 -14.410 8.104 -2.721 1.00 0.00 C ATOM 963 C ALA A 63 -15.520 7.074 -2.895 1.00 0.00 C ATOM 964 O ALA A 63 -15.262 5.876 -2.779 1.00 0.00 O ATOM 965 CB ALA A 63 -14.456 8.721 -1.322 1.00 0.00 C ATOM 0 H ALA A 63 -14.757 10.063 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.458 7.587 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.392 7.931 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.618 9.407 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.392 9.266 -1.195 1.00 0.00 H new ATOM 971 N ARG A 64 -16.752 7.511 -3.177 1.00 0.00 N ATOM 972 CA ARG A 64 -17.868 6.598 -3.394 1.00 0.00 C ATOM 973 C ARG A 64 -17.630 5.753 -4.645 1.00 0.00 C ATOM 974 O ARG A 64 -18.159 4.648 -4.747 1.00 0.00 O ATOM 975 CB ARG A 64 -19.171 7.389 -3.565 1.00 0.00 C ATOM 976 CG ARG A 64 -19.486 8.300 -2.375 1.00 0.00 C ATOM 977 CD ARG A 64 -19.709 7.522 -1.081 1.00 0.00 C ATOM 978 NE ARG A 64 -19.977 8.446 0.027 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.297 8.072 1.269 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.416 6.787 1.590 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.495 8.998 2.200 1.00 0.00 N ATOM 0 H ARG A 64 -16.997 8.498 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.948 5.944 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.105 7.994 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.996 6.691 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.666 9.004 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.376 8.888 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.546 6.835 -1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.830 6.918 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.914 9.446 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.262 6.068 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.661 6.520 2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.402 9.986 1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.740 8.721 3.151 1.00 0.00 H new ATOM 995 N ALA A 65 -16.837 6.264 -5.590 1.00 0.00 N ATOM 996 CA ALA A 65 -16.553 5.549 -6.820 1.00 0.00 C ATOM 997 C ALA A 65 -15.674 4.329 -6.555 1.00 0.00 C ATOM 998 O ALA A 65 -15.904 3.276 -7.143 1.00 0.00 O ATOM 999 CB ALA A 65 -15.858 6.499 -7.795 1.00 0.00 C ATOM 0 H ALA A 65 -16.382 7.174 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.490 5.195 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.640 5.972 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.510 7.347 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.928 6.857 -7.354 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.674 4.459 -5.678 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.787 3.343 -5.386 1.00 0.00 C ATOM 1007 C ALA A 66 -14.270 2.514 -4.196 1.00 0.00 C ATOM 1008 O ALA A 66 -13.999 1.316 -4.132 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.384 3.883 -5.152 1.00 0.00 C ATOM 0 H ALA A 66 -14.465 5.316 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.783 2.666 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.708 3.057 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.041 4.404 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.396 4.576 -4.310 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.981 3.135 -3.251 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.524 2.421 -2.098 1.00 0.00 C ATOM 1017 C VAL A 67 -16.638 1.477 -2.539 1.00 0.00 C ATOM 1018 O VAL A 67 -16.943 0.513 -1.839 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.989 3.424 -1.033 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.889 2.763 0.006 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.761 3.989 -0.322 1.00 0.00 C ATOM 0 H VAL A 67 -15.193 4.133 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.746 1.806 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.556 4.211 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.198 3.504 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.770 2.350 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.343 1.962 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.077 4.704 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.209 3.177 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.119 4.490 -1.047 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.248 1.743 -3.695 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.228 0.846 -4.289 1.00 0.00 C ATOM 1033 C ALA A 68 -17.699 0.178 -5.561 1.00 0.00 C ATOM 1034 O ALA A 68 -18.334 -0.744 -6.074 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.519 1.620 -4.559 1.00 0.00 C ATOM 0 H ALA A 68 -17.074 2.586 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.433 0.040 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.257 0.953 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.908 2.017 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.314 2.443 -5.244 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.549 0.627 -6.078 1.00 0.00 N ATOM 1042 CA GLY A 69 -15.989 0.086 -7.308 1.00 0.00 C ATOM 1043 C GLY A 69 -14.904 -0.964 -7.087 1.00 0.00 C ATOM 1044 O GLY A 69 -14.651 -1.770 -7.979 1.00 0.00 O ATOM 0 H GLY A 69 -15.990 1.368 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.793 -0.355 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.574 0.904 -7.897 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.259 -0.971 -5.914 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.162 -1.893 -5.617 1.00 0.00 C ATOM 1050 C GLU A 70 -13.440 -2.726 -4.372 1.00 0.00 C ATOM 1051 O GLU A 70 -12.766 -3.727 -4.150 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.869 -1.094 -5.415 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.390 -0.413 -6.698 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.861 -1.428 -7.709 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.658 -1.755 -7.622 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.657 -1.872 -8.565 1.00 0.00 O ATOM 0 H GLU A 70 -14.484 -0.338 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.062 -2.576 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.030 -0.339 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.088 -1.761 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.212 0.149 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.606 0.305 -6.458 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.414 -2.341 -3.548 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.684 -3.077 -2.323 1.00 0.00 C ATOM 1065 C ASP A 71 -15.028 -4.536 -2.630 1.00 0.00 C ATOM 1066 O ASP A 71 -15.868 -4.815 -3.485 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.803 -2.386 -1.552 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.230 -3.220 -0.347 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.322 -3.674 0.383 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.456 -3.394 -0.167 1.00 0.00 O ATOM 0 H ASP A 71 -15.019 -1.535 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.789 -3.084 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.468 -1.404 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.658 -2.225 -2.209 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.373 -5.464 -1.920 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.612 -6.890 -2.076 1.00 0.00 C ATOM 1077 C GLY A 72 -13.816 -7.494 -3.232 1.00 0.00 C ATOM 1078 O GLY A 72 -14.108 -8.615 -3.646 1.00 0.00 O ATOM 0 H GLY A 72 -13.663 -5.239 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.348 -7.403 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.675 -7.061 -2.243 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.819 -6.776 -3.763 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.032 -7.279 -4.883 1.00 0.00 C ATOM 1084 C ARG A 73 -10.793 -8.021 -4.405 1.00 0.00 C ATOM 1085 O ARG A 73 -10.355 -7.839 -3.273 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.662 -6.161 -5.858 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.438 -5.355 -5.411 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.863 -4.591 -6.600 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.151 -5.496 -7.506 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.410 -5.100 -8.542 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.284 -3.808 -8.834 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.790 -5.999 -9.298 1.00 0.00 N ATOM 0 H ARG A 73 -12.543 -5.851 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.658 -7.991 -5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.467 -6.593 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.512 -5.488 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.718 -4.659 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.683 -6.022 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.667 -4.089 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.184 -3.816 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.227 -6.498 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.757 -3.108 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.714 -3.518 -9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.880 -6.993 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.223 -5.696 -10.090 1.00 0.00 H new ATOM 1106 N MET A 74 -10.228 -8.858 -5.277 1.00 0.00 N ATOM 1107 CA MET A 74 -9.003 -9.575 -4.973 1.00 0.00 C ATOM 1108 C MET A 74 -7.790 -8.868 -5.560 1.00 0.00 C ATOM 1109 O MET A 74 -7.827 -8.388 -6.691 1.00 0.00 O ATOM 1110 CB MET A 74 -9.113 -11.021 -5.458 1.00 0.00 C ATOM 1111 CG MET A 74 -7.777 -11.737 -5.259 1.00 0.00 C ATOM 1112 SD MET A 74 -7.904 -13.532 -5.131 1.00 0.00 S ATOM 1113 CE MET A 74 -8.641 -13.595 -3.482 1.00 0.00 C ATOM 0 H MET A 74 -10.608 -9.052 -6.204 1.00 0.00 H new ATOM 0 HA MET A 74 -8.862 -9.590 -3.892 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.899 -11.539 -4.909 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.393 -11.041 -6.511 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.119 -11.490 -6.092 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.304 -11.353 -4.355 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.214 -14.428 -2.924 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.436 -12.663 -2.956 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.719 -13.732 -3.570 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.716 -8.818 -4.764 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.426 -8.265 -5.151 1.00 0.00 C ATOM 1125 C ILE A 75 -4.350 -9.119 -4.491 1.00 0.00 C ATOM 1126 O ILE A 75 -4.482 -9.496 -3.330 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.317 -6.797 -4.713 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.529 -5.983 -5.195 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.021 -6.178 -5.244 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.509 -4.530 -4.714 1.00 0.00 C ATOM 0 H ILE A 75 -6.727 -9.173 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.306 -8.282 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.302 -6.771 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.559 -5.998 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.443 -6.462 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.958 -5.137 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.167 -6.730 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.015 -6.225 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.391 -4.011 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.510 -4.507 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.612 -4.036 -5.086 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.282 -9.430 -5.231 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.177 -10.254 -4.755 1.00 0.00 C ATOM 1144 C ALA A 76 -2.607 -11.595 -4.135 1.00 0.00 C ATOM 1145 O ALA A 76 -1.792 -12.248 -3.484 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.307 -9.434 -3.801 1.00 0.00 C ATOM 0 H ALA A 76 -3.163 -9.109 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.592 -10.541 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.480 -10.048 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.913 -8.564 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.907 -9.105 -2.953 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.861 -12.017 -4.326 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.345 -13.306 -3.852 1.00 0.00 C ATOM 1154 C GLY A 77 -5.254 -13.209 -2.626 1.00 0.00 C ATOM 1155 O GLY A 77 -5.767 -14.229 -2.174 1.00 0.00 O ATOM 0 H GLY A 77 -4.567 -11.468 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.889 -13.799 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.491 -13.938 -3.611 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.462 -12.004 -2.087 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.348 -11.793 -0.949 1.00 0.00 C ATOM 1161 C GLN A 78 -7.362 -10.706 -1.281 1.00 0.00 C ATOM 1162 O GLN A 78 -7.175 -9.945 -2.228 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.546 -11.418 0.304 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.689 -12.568 0.845 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.524 -12.931 -0.067 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -3.346 -14.092 -0.430 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.722 -11.943 -0.447 1.00 0.00 N ATOM 0 H GLN A 78 -5.019 -11.151 -2.430 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.879 -12.722 -0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.900 -10.571 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.235 -11.091 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.302 -12.293 1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.319 -13.446 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.899 -10.991 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.929 -12.136 -1.059 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.440 -10.636 -0.498 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.484 -9.635 -0.685 1.00 0.00 C ATOM 1178 C VAL A 79 -9.325 -8.539 0.358 1.00 0.00 C ATOM 1179 O VAL A 79 -8.897 -8.799 1.482 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.876 -10.275 -0.621 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -11.994 -9.233 -0.738 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.033 -11.279 -1.763 1.00 0.00 C ATOM 0 H VAL A 79 -8.611 -11.272 0.281 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.383 -9.191 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.961 -10.768 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.962 -9.731 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.911 -8.517 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.905 -8.709 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.023 -11.732 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.914 -10.766 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.274 -12.056 -1.672 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.675 -7.313 -0.025 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.574 -6.147 0.832 1.00 0.00 C ATOM 1194 C LEU A 80 -10.956 -5.554 1.080 1.00 0.00 C ATOM 1195 O LEU A 80 -11.820 -5.561 0.204 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.582 -5.095 0.296 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.229 -5.122 -1.197 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.474 -6.392 -1.591 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.462 -4.937 -2.073 1.00 0.00 C ATOM 0 H LEU A 80 -10.041 -7.105 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.164 -6.476 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.987 -4.109 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.654 -5.196 0.859 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.562 -4.277 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.247 -6.364 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.546 -6.454 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.091 -7.264 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.170 -4.962 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.173 -5.739 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.927 -3.977 -1.849 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.144 -5.042 2.294 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.402 -4.462 2.728 1.00 0.00 C ATOM 1213 C ASP A 81 -12.288 -2.946 2.624 1.00 0.00 C ATOM 1214 O ASP A 81 -11.601 -2.315 3.427 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.677 -4.922 4.161 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.003 -4.385 4.696 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.995 -4.410 3.932 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.013 -3.952 5.870 1.00 0.00 O ATOM 0 H ASP A 81 -10.416 -5.020 3.008 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.236 -4.785 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.688 -6.011 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.865 -4.591 4.809 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.958 -2.361 1.630 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.852 -0.936 1.360 1.00 0.00 C ATOM 1225 C ILE A 82 -14.102 -0.217 1.854 1.00 0.00 C ATOM 1226 O ILE A 82 -15.217 -0.717 1.700 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.602 -0.724 -0.132 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.298 -1.424 -0.540 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.507 0.767 -0.455 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.214 -1.546 -2.055 1.00 0.00 C ATOM 0 H ILE A 82 -13.583 -2.861 0.997 1.00 0.00 H new ATOM 0 HA ILE A 82 -12.008 -0.508 1.901 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.437 -1.149 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.443 -0.861 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.251 -2.414 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.329 0.897 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.440 1.259 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.684 1.209 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.284 -2.044 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.059 -2.129 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.238 -0.552 -2.502 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.916 0.961 2.451 1.00 0.00 N ATOM 1243 CA ASN A 83 -15.014 1.715 3.031 1.00 0.00 C ATOM 1244 C ASN A 83 -14.672 3.201 3.106 1.00 0.00 C ATOM 1245 O ASN A 83 -13.507 3.583 2.976 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.290 1.157 4.433 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.647 1.584 4.973 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.652 0.927 4.718 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.698 2.682 5.719 1.00 0.00 N ATOM 0 H ASN A 83 -13.005 1.411 2.543 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.901 1.615 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.240 0.069 4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.509 1.493 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.590 3.000 6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.845 3.207 5.913 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.686 4.042 3.319 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.479 5.460 3.554 1.00 0.00 C ATOM 1258 C LEU A 84 -14.702 5.619 4.861 1.00 0.00 C ATOM 1259 O LEU A 84 -14.892 4.837 5.790 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.844 6.157 3.628 1.00 0.00 C ATOM 1261 CG LEU A 84 -17.015 7.317 2.645 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.058 8.448 2.989 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -16.779 6.890 1.197 1.00 0.00 C ATOM 0 H LEU A 84 -16.665 3.755 3.332 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.908 5.916 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.625 5.420 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.993 6.530 4.641 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.047 7.656 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.192 9.266 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.264 8.805 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -15.032 8.085 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.912 7.748 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.764 6.506 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.492 6.111 0.927 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.828 6.624 4.949 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.943 6.770 6.098 1.00 0.00 C ATOM 1277 C ALA A 85 -13.644 7.355 7.325 1.00 0.00 C ATOM 1278 O ALA A 85 -13.031 7.467 8.385 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.742 7.625 5.701 1.00 0.00 C ATOM 0 H ALA A 85 -13.717 7.346 4.237 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.613 5.773 6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.077 7.737 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.205 7.141 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.086 8.607 5.377 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.920 7.724 7.194 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.693 8.273 8.296 1.00 0.00 C ATOM 1287 C ALA A 86 -17.019 7.533 8.467 1.00 0.00 C ATOM 1288 O ALA A 86 -17.912 8.019 9.164 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.915 9.764 8.060 1.00 0.00 C ATOM 0 H ALA A 86 -15.440 7.648 6.320 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.136 8.140 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.494 10.180 8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.952 10.271 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.458 9.908 7.126 1.00 0.00 H new