USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 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 9 LYS NZ :NH3+ 150:sc= -1.76 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -10.6! C(o=-12!,f=-13!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0414 USER MOD Single : A 11 MET CE :methyl -159:sc= -1.57 (180deg=-3.01!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 141:sc= 0.0457 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -3.3! K(o=-3.3!,f=-1.9) USER MOD Single : A 34 THR OG1 : rot -140:sc= -1.65! USER MOD Single : A 37 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-8.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 173:sc= 0 (180deg=-0.0417) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -36:sc= 1.15 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -126:sc= -0.911 USER MOD Single : A 79 ASN : amide:sc= -3.69! K(o=-3.7!,f=-0.065) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 2.917 14.507 4.640 1.00 0.00 N ATOM 40 CA VAL A 4 2.193 13.339 5.123 1.00 0.00 C ATOM 41 C VAL A 4 2.512 12.102 4.285 1.00 0.00 C ATOM 42 O VAL A 4 2.396 12.130 3.060 1.00 0.00 O ATOM 43 CB VAL A 4 0.672 13.569 5.127 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.072 13.019 6.411 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.344 15.047 4.968 1.00 0.00 C ATOM 0 HA VAL A 4 2.524 13.173 6.148 1.00 0.00 H new ATOM 0 HB VAL A 4 0.237 13.041 4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.005 13.184 6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.275 11.950 6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.516 13.528 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.738 15.182 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.785 15.608 5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.750 15.410 4.024 1.00 0.00 H new ATOM 55 N VAL A 5 2.886 11.011 4.949 1.00 0.00 N ATOM 56 CA VAL A 5 3.202 9.764 4.253 1.00 0.00 C ATOM 57 C VAL A 5 2.447 8.584 4.869 1.00 0.00 C ATOM 58 O VAL A 5 2.682 8.225 6.018 1.00 0.00 O ATOM 59 CB VAL A 5 4.716 9.467 4.288 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.015 8.106 3.674 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.491 10.564 3.573 1.00 0.00 C ATOM 0 H VAL A 5 2.978 10.964 5.964 1.00 0.00 H new ATOM 0 HA VAL A 5 2.890 9.892 3.217 1.00 0.00 H new ATOM 0 HB VAL A 5 5.036 9.444 5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.088 7.919 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.492 7.331 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.679 8.093 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.557 10.338 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.166 10.621 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.306 11.519 4.064 1.00 0.00 H new ATOM 71 N ALA A 6 1.547 7.981 4.094 1.00 0.00 N ATOM 72 CA ALA A 6 0.773 6.834 4.567 1.00 0.00 C ATOM 73 C ALA A 6 1.427 5.526 4.136 1.00 0.00 C ATOM 74 O ALA A 6 2.312 5.525 3.282 1.00 0.00 O ATOM 75 CB ALA A 6 -0.657 6.908 4.050 1.00 0.00 C ATOM 0 H ALA A 6 1.336 8.267 3.138 1.00 0.00 H new ATOM 0 HA ALA A 6 0.751 6.863 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.219 6.047 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.126 7.824 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.650 6.906 2.960 1.00 0.00 H new ATOM 81 N THR A 7 1.000 4.411 4.731 1.00 0.00 N ATOM 82 CA THR A 7 1.563 3.108 4.383 1.00 0.00 C ATOM 83 C THR A 7 0.497 2.011 4.370 1.00 0.00 C ATOM 84 O THR A 7 -0.226 1.795 5.356 1.00 0.00 O ATOM 85 CB THR A 7 2.694 2.735 5.339 1.00 0.00 C ATOM 86 OG1 THR A 7 3.578 3.827 5.527 1.00 0.00 O ATOM 87 CG2 THR A 7 3.513 1.556 4.857 1.00 0.00 C ATOM 0 H THR A 7 0.275 4.384 5.448 1.00 0.00 H new ATOM 0 HA THR A 7 1.966 3.190 3.374 1.00 0.00 H new ATOM 0 HB THR A 7 2.205 2.463 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.293 3.566 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.300 1.340 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.868 0.684 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.961 1.794 3.892 1.00 0.00 H new ATOM 95 N ILE A 8 0.447 1.299 3.245 1.00 0.00 N ATOM 96 CA ILE A 8 -0.519 0.230 3.021 1.00 0.00 C ATOM 97 C ILE A 8 0.192 -1.105 2.756 1.00 0.00 C ATOM 98 O ILE A 8 0.824 -1.274 1.715 1.00 0.00 O ATOM 99 CB ILE A 8 -1.409 0.575 1.810 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.896 2.028 1.896 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.574 -0.380 1.720 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.976 2.260 2.933 1.00 0.00 C ATOM 0 H ILE A 8 1.080 1.450 2.460 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.131 0.132 3.918 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.814 0.470 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.046 2.672 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.274 2.331 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.191 -0.121 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.202 -1.398 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.172 -0.311 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.264 3.311 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.845 1.645 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.597 1.991 3.919 1.00 0.00 H new ATOM 114 N LYS A 9 0.126 -2.033 3.715 1.00 0.00 N ATOM 115 CA LYS A 9 0.806 -3.328 3.579 1.00 0.00 C ATOM 116 C LYS A 9 -0.142 -4.425 3.097 1.00 0.00 C ATOM 117 O LYS A 9 -0.849 -5.042 3.892 1.00 0.00 O ATOM 118 CB LYS A 9 1.432 -3.735 4.908 1.00 0.00 C ATOM 119 CG LYS A 9 1.553 -2.592 5.907 1.00 0.00 C ATOM 120 CD LYS A 9 2.997 -2.234 6.180 1.00 0.00 C ATOM 121 CE LYS A 9 3.593 -3.110 7.269 1.00 0.00 C ATOM 122 NZ LYS A 9 5.000 -3.493 6.970 1.00 0.00 N ATOM 0 H LYS A 9 -0.387 -1.915 4.589 1.00 0.00 H new ATOM 0 HA LYS A 9 1.586 -3.208 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.834 -4.531 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.423 -4.148 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.028 -1.717 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.065 -2.872 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.579 -2.343 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.063 -1.187 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.556 -2.580 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.989 -4.010 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.521 -3.622 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.011 -4.382 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.452 -2.743 6.410 1.00 0.00 H new ATOM 136 N VAL A 10 -0.130 -4.681 1.795 1.00 0.00 N ATOM 137 CA VAL A 10 -1.038 -5.660 1.189 1.00 0.00 C ATOM 138 C VAL A 10 -0.411 -7.053 1.095 1.00 0.00 C ATOM 139 O VAL A 10 0.765 -7.194 0.769 1.00 0.00 O ATOM 140 CB VAL A 10 -1.500 -5.194 -0.218 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.319 -3.689 -0.365 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.768 -5.933 -1.333 1.00 0.00 C ATOM 0 H VAL A 10 0.498 -4.226 1.133 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.905 -5.728 1.846 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.559 -5.434 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.647 -3.378 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.913 -3.176 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.267 -3.435 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.122 -5.576 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.303 -5.750 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.961 -7.002 -1.248 1.00 0.00 H new ATOM 152 N MET A 11 -1.216 -8.084 1.369 1.00 0.00 N ATOM 153 CA MET A 11 -0.743 -9.467 1.301 1.00 0.00 C ATOM 154 C MET A 11 -1.857 -10.414 0.828 1.00 0.00 C ATOM 155 O MET A 11 -2.923 -10.499 1.448 1.00 0.00 O ATOM 156 CB MET A 11 -0.183 -9.904 2.668 1.00 0.00 C ATOM 157 CG MET A 11 -0.828 -11.148 3.266 1.00 0.00 C ATOM 158 SD MET A 11 0.295 -12.557 3.309 1.00 0.00 S ATOM 159 CE MET A 11 -0.849 -13.890 3.654 1.00 0.00 C ATOM 0 H MET A 11 -2.195 -7.986 1.639 1.00 0.00 H new ATOM 0 HA MET A 11 0.060 -9.520 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.887 -10.084 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.301 -9.080 3.371 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.166 -10.927 4.278 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.712 -11.410 2.684 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.305 -14.737 4.073 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.599 -13.550 4.369 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.340 -14.196 2.730 1.00 0.00 H new ATOM 169 N PRO A 12 -1.613 -11.151 -0.278 1.00 0.00 N ATOM 170 CA PRO A 12 -2.579 -12.099 -0.849 1.00 0.00 C ATOM 171 C PRO A 12 -2.720 -13.362 -0.007 1.00 0.00 C ATOM 172 O PRO A 12 -1.746 -14.079 0.222 1.00 0.00 O ATOM 173 CB PRO A 12 -1.988 -12.446 -2.228 1.00 0.00 C ATOM 174 CG PRO A 12 -0.881 -11.472 -2.444 1.00 0.00 C ATOM 175 CD PRO A 12 -0.387 -11.099 -1.079 1.00 0.00 C ATOM 0 HA PRO A 12 -3.579 -11.668 -0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.618 -13.471 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.742 -12.362 -3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.083 -11.914 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.234 -10.594 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.367 -11.797 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.065 -10.107 -1.067 1.00 0.00 H new ATOM 183 N GLU A 13 -3.938 -13.621 0.456 1.00 0.00 N ATOM 184 CA GLU A 13 -4.217 -14.798 1.268 1.00 0.00 C ATOM 185 C GLU A 13 -3.836 -16.080 0.536 1.00 0.00 C ATOM 186 O GLU A 13 -3.470 -17.076 1.159 1.00 0.00 O ATOM 187 CB GLU A 13 -5.698 -14.838 1.650 1.00 0.00 C ATOM 188 CG GLU A 13 -5.988 -14.260 3.027 1.00 0.00 C ATOM 189 CD GLU A 13 -5.692 -15.238 4.147 1.00 0.00 C ATOM 190 OE1 GLU A 13 -5.070 -16.287 3.874 1.00 0.00 O ATOM 191 OE2 GLU A 13 -6.084 -14.957 5.299 1.00 0.00 O ATOM 0 H GLU A 13 -4.750 -13.029 0.282 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.612 -14.730 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.272 -14.286 0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.045 -15.871 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.392 -13.358 3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.035 -13.962 3.078 1.00 0.00 H new ATOM 198 N SER A 14 -3.948 -16.056 -0.788 1.00 0.00 N ATOM 199 CA SER A 14 -3.624 -17.220 -1.601 1.00 0.00 C ATOM 200 C SER A 14 -2.115 -17.376 -1.757 1.00 0.00 C ATOM 201 O SER A 14 -1.378 -16.390 -1.734 1.00 0.00 O ATOM 202 CB SER A 14 -4.282 -17.105 -2.978 1.00 0.00 C ATOM 203 OG SER A 14 -5.287 -18.090 -3.148 1.00 0.00 O ATOM 0 H SER A 14 -4.261 -15.243 -1.319 1.00 0.00 H new ATOM 0 HA SER A 14 -4.010 -18.104 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.718 -16.113 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.526 -17.214 -3.756 1.00 0.00 H new ATOM 0 HG SER A 14 -5.693 -17.994 -4.035 1.00 0.00 H new ATOM 209 N PRO A 15 -1.633 -18.620 -1.928 1.00 0.00 N ATOM 210 CA PRO A 15 -0.202 -18.892 -2.102 1.00 0.00 C ATOM 211 C PRO A 15 0.331 -18.329 -3.415 1.00 0.00 C ATOM 212 O PRO A 15 1.523 -18.426 -3.708 1.00 0.00 O ATOM 213 CB PRO A 15 -0.121 -20.422 -2.098 1.00 0.00 C ATOM 214 CG PRO A 15 -1.476 -20.874 -2.519 1.00 0.00 C ATOM 215 CD PRO A 15 -2.438 -19.855 -1.975 1.00 0.00 C ATOM 0 HA PRO A 15 0.401 -18.425 -1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.647 -20.780 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.134 -20.802 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.547 -20.937 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.696 -21.867 -2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.311 -19.742 -2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.804 -20.134 -0.987 1.00 0.00 H new ATOM 223 N ASP A 16 -0.569 -17.758 -4.208 1.00 0.00 N ATOM 224 CA ASP A 16 -0.204 -17.158 -5.483 1.00 0.00 C ATOM 225 C ASP A 16 0.097 -15.675 -5.304 1.00 0.00 C ATOM 226 O ASP A 16 -0.316 -14.845 -6.114 1.00 0.00 O ATOM 227 CB ASP A 16 -1.329 -17.348 -6.503 1.00 0.00 C ATOM 228 CG ASP A 16 -1.035 -18.464 -7.486 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.052 -18.443 -8.101 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.892 -19.360 -7.642 1.00 0.00 O ATOM 0 H ASP A 16 -1.563 -17.699 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 16 0.692 -17.655 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.259 -17.566 -5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.482 -16.417 -7.049 1.00 0.00 H new ATOM 235 N VAL A 17 0.820 -15.358 -4.235 1.00 0.00 N ATOM 236 CA VAL A 17 1.176 -13.975 -3.925 1.00 0.00 C ATOM 237 C VAL A 17 2.099 -13.391 -4.997 1.00 0.00 C ATOM 238 O VAL A 17 3.314 -13.314 -4.813 1.00 0.00 O ATOM 239 CB VAL A 17 1.875 -13.874 -2.550 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.319 -12.443 -2.260 1.00 0.00 C ATOM 241 CG2 VAL A 17 0.956 -14.384 -1.452 1.00 0.00 C ATOM 0 H VAL A 17 1.173 -16.042 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 17 0.248 -13.404 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 17 2.767 -14.499 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.807 -12.404 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.018 -12.116 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.449 -11.786 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.462 -14.307 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.045 -13.785 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.701 -15.426 -1.646 1.00 0.00 H new ATOM 251 N ASP A 18 1.518 -13.013 -6.133 1.00 0.00 N ATOM 252 CA ASP A 18 2.286 -12.417 -7.221 1.00 0.00 C ATOM 253 C ASP A 18 2.777 -11.033 -6.820 1.00 0.00 C ATOM 254 O ASP A 18 2.012 -10.075 -6.821 1.00 0.00 O ATOM 255 CB ASP A 18 1.436 -12.327 -8.487 1.00 0.00 C ATOM 256 CG ASP A 18 1.201 -13.683 -9.124 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.173 -14.459 -9.243 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.046 -13.970 -9.501 1.00 0.00 O ATOM 0 H ASP A 18 0.520 -13.109 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 18 3.148 -13.052 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.476 -11.871 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.928 -11.671 -9.206 1.00 0.00 H new ATOM 263 N LEU A 19 4.044 -10.947 -6.433 1.00 0.00 N ATOM 264 CA LEU A 19 4.627 -9.683 -6.001 1.00 0.00 C ATOM 265 C LEU A 19 4.633 -8.658 -7.127 1.00 0.00 C ATOM 266 O LEU A 19 4.170 -7.532 -6.953 1.00 0.00 O ATOM 267 CB LEU A 19 6.054 -9.896 -5.494 1.00 0.00 C ATOM 268 CG LEU A 19 6.589 -8.785 -4.589 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.426 -9.372 -3.462 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.402 -7.785 -5.396 1.00 0.00 C ATOM 0 H LEU A 19 4.688 -11.738 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 19 4.008 -9.299 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.093 -10.839 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.718 -9.996 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 19 5.741 -8.261 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.798 -8.567 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.812 -10.048 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.268 -9.922 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.775 -7.002 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.243 -8.295 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.772 -7.341 -6.166 1.00 0.00 H new ATOM 282 N GLU A 20 5.117 -9.068 -8.295 1.00 0.00 N ATOM 283 CA GLU A 20 5.213 -8.165 -9.434 1.00 0.00 C ATOM 284 C GLU A 20 3.834 -7.792 -9.941 1.00 0.00 C ATOM 285 O GLU A 20 3.592 -6.642 -10.308 1.00 0.00 O ATOM 286 CB GLU A 20 6.029 -8.811 -10.557 1.00 0.00 C ATOM 287 CG GLU A 20 6.069 -7.989 -11.836 1.00 0.00 C ATOM 288 CD GLU A 20 6.742 -6.645 -11.646 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.909 -6.624 -11.201 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.104 -5.613 -11.944 1.00 0.00 O ATOM 0 H GLU A 20 5.447 -10.016 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 20 5.719 -7.256 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.049 -8.971 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.610 -9.792 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.597 -8.550 -12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.052 -7.834 -12.195 1.00 0.00 H new ATOM 297 N ALA A 21 2.922 -8.751 -9.934 1.00 0.00 N ATOM 298 CA ALA A 21 1.562 -8.470 -10.356 1.00 0.00 C ATOM 299 C ALA A 21 0.875 -7.583 -9.336 1.00 0.00 C ATOM 300 O ALA A 21 0.108 -6.688 -9.685 1.00 0.00 O ATOM 301 CB ALA A 21 0.782 -9.758 -10.573 1.00 0.00 C ATOM 0 H ALA A 21 3.095 -9.714 -9.646 1.00 0.00 H new ATOM 0 HA ALA A 21 1.595 -7.942 -11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.234 -9.519 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.271 -10.354 -11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.749 -10.325 -9.642 1.00 0.00 H new ATOM 307 N LEU A 22 1.174 -7.822 -8.072 1.00 0.00 N ATOM 308 CA LEU A 22 0.618 -7.014 -7.003 1.00 0.00 C ATOM 309 C LEU A 22 1.138 -5.595 -7.112 1.00 0.00 C ATOM 310 O LEU A 22 0.432 -4.636 -6.813 1.00 0.00 O ATOM 311 CB LEU A 22 0.982 -7.603 -5.635 1.00 0.00 C ATOM 312 CG LEU A 22 -0.028 -7.354 -4.504 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.415 -7.032 -5.052 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.092 -8.559 -3.584 1.00 0.00 C ATOM 0 H LEU A 22 1.797 -8.567 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.468 -7.009 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.113 -8.679 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.946 -7.195 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 22 0.313 -6.489 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.103 -6.862 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.363 -6.136 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.771 -7.868 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.811 -8.370 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.403 -9.435 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.892 -8.738 -3.150 1.00 0.00 H new ATOM 326 N LYS A 23 2.379 -5.480 -7.562 1.00 0.00 N ATOM 327 CA LYS A 23 3.025 -4.188 -7.722 1.00 0.00 C ATOM 328 C LYS A 23 2.247 -3.303 -8.680 1.00 0.00 C ATOM 329 O LYS A 23 2.021 -2.125 -8.407 1.00 0.00 O ATOM 330 CB LYS A 23 4.450 -4.389 -8.232 1.00 0.00 C ATOM 331 CG LYS A 23 5.515 -4.019 -7.213 1.00 0.00 C ATOM 332 CD LYS A 23 6.695 -3.330 -7.870 1.00 0.00 C ATOM 333 CE LYS A 23 7.919 -4.232 -7.900 1.00 0.00 C ATOM 334 NZ LYS A 23 8.674 -4.102 -9.177 1.00 0.00 N ATOM 0 H LYS A 23 2.962 -6.275 -7.825 1.00 0.00 H new ATOM 0 HA LYS A 23 3.052 -3.691 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.581 -5.432 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.594 -3.789 -9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.084 -3.363 -6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.857 -4.918 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.429 -3.041 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.930 -2.413 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.573 -3.984 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.609 -5.268 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.695 -4.133 -8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.419 -4.885 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.436 -3.197 -9.630 1.00 0.00 H new ATOM 348 N LYS A 24 1.869 -3.867 -9.819 1.00 0.00 N ATOM 349 CA LYS A 24 1.103 -3.130 -10.810 1.00 0.00 C ATOM 350 C LYS A 24 -0.301 -2.859 -10.299 1.00 0.00 C ATOM 351 O LYS A 24 -0.876 -1.798 -10.546 1.00 0.00 O ATOM 352 CB LYS A 24 1.059 -3.909 -12.119 1.00 0.00 C ATOM 353 CG LYS A 24 0.252 -5.192 -12.054 1.00 0.00 C ATOM 354 CD LYS A 24 -0.155 -5.670 -13.438 1.00 0.00 C ATOM 355 CE LYS A 24 0.635 -6.898 -13.860 1.00 0.00 C ATOM 356 NZ LYS A 24 1.545 -6.610 -15.003 1.00 0.00 N ATOM 0 H LYS A 24 2.081 -4.831 -10.078 1.00 0.00 H new ATOM 0 HA LYS A 24 1.590 -2.172 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.640 -3.269 -12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.079 -4.150 -12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.838 -5.966 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.639 -5.031 -11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.220 -5.902 -13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.002 -4.869 -14.161 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.219 -7.262 -13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.055 -7.695 -14.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.065 -7.474 -15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.986 -6.287 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.220 -5.868 -14.731 1.00 0.00 H new ATOM 370 N GLU A 25 -0.846 -3.832 -9.583 1.00 0.00 N ATOM 371 CA GLU A 25 -2.175 -3.699 -9.000 1.00 0.00 C ATOM 372 C GLU A 25 -2.168 -2.618 -7.928 1.00 0.00 C ATOM 373 O GLU A 25 -3.173 -1.949 -7.688 1.00 0.00 O ATOM 374 CB GLU A 25 -2.633 -5.031 -8.403 1.00 0.00 C ATOM 375 CG GLU A 25 -3.018 -6.064 -9.449 1.00 0.00 C ATOM 376 CD GLU A 25 -4.086 -7.020 -8.959 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.283 -6.678 -9.061 1.00 0.00 O ATOM 378 OE2 GLU A 25 -3.726 -8.112 -8.470 1.00 0.00 O ATOM 0 H GLU A 25 -0.389 -4.723 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.874 -3.414 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.834 -5.435 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.486 -4.853 -7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.375 -5.554 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.133 -6.631 -9.737 1.00 0.00 H new ATOM 385 N ILE A 26 -1.020 -2.473 -7.276 1.00 0.00 N ATOM 386 CA ILE A 26 -0.834 -1.468 -6.241 1.00 0.00 C ATOM 387 C ILE A 26 -0.998 -0.069 -6.822 1.00 0.00 C ATOM 388 O ILE A 26 -1.632 0.797 -6.221 1.00 0.00 O ATOM 389 CB ILE A 26 0.556 -1.608 -5.582 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.485 -2.591 -4.411 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.080 -0.258 -5.112 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.713 -3.465 -4.279 1.00 0.00 C ATOM 0 H ILE A 26 -0.196 -3.048 -7.451 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.596 -1.625 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 26 1.250 -1.994 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.346 -2.032 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.392 -3.227 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.060 -0.388 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.166 0.416 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.390 0.166 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.592 -4.136 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.842 -4.051 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.591 -2.838 -4.124 1.00 0.00 H new ATOM 404 N GLN A 27 -0.422 0.137 -8.000 1.00 0.00 N ATOM 405 CA GLN A 27 -0.507 1.419 -8.682 1.00 0.00 C ATOM 406 C GLN A 27 -1.962 1.803 -8.913 1.00 0.00 C ATOM 407 O GLN A 27 -2.343 2.967 -8.788 1.00 0.00 O ATOM 408 CB GLN A 27 0.219 1.342 -10.027 1.00 0.00 C ATOM 409 CG GLN A 27 1.688 1.720 -9.958 1.00 0.00 C ATOM 410 CD GLN A 27 2.503 0.766 -9.105 1.00 0.00 C ATOM 411 OE1 GLN A 27 3.197 -0.108 -9.623 1.00 0.00 O ATOM 412 NE2 GLN A 27 2.434 0.939 -7.790 1.00 0.00 N ATOM 0 H GLN A 27 0.111 -0.572 -8.503 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.036 2.176 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.133 0.328 -10.417 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.282 2.000 -10.737 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.101 1.741 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.780 2.729 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.845 1.677 -7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.970 0.334 -7.167 1.00 0.00 H new ATOM 421 N GLU A 28 -2.768 0.808 -9.266 1.00 0.00 N ATOM 422 CA GLU A 28 -4.182 1.021 -9.546 1.00 0.00 C ATOM 423 C GLU A 28 -4.984 1.237 -8.267 1.00 0.00 C ATOM 424 O GLU A 28 -6.058 1.839 -8.293 1.00 0.00 O ATOM 425 CB GLU A 28 -4.752 -0.173 -10.314 1.00 0.00 C ATOM 426 CG GLU A 28 -3.823 -0.700 -11.395 1.00 0.00 C ATOM 427 CD GLU A 28 -3.723 0.233 -12.586 1.00 0.00 C ATOM 428 OE1 GLU A 28 -4.737 0.400 -13.296 1.00 0.00 O ATOM 429 OE2 GLU A 28 -2.631 0.796 -12.809 1.00 0.00 O ATOM 0 H GLU A 28 -2.463 -0.160 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.265 1.922 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.970 -0.976 -9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.699 0.117 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.830 -0.851 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.178 -1.674 -11.731 1.00 0.00 H new ATOM 436 N ARG A 29 -4.470 0.731 -7.150 1.00 0.00 N ATOM 437 CA ARG A 29 -5.169 0.843 -5.876 1.00 0.00 C ATOM 438 C ARG A 29 -4.808 2.133 -5.144 1.00 0.00 C ATOM 439 O ARG A 29 -5.476 2.512 -4.180 1.00 0.00 O ATOM 440 CB ARG A 29 -4.870 -0.375 -4.996 1.00 0.00 C ATOM 441 CG ARG A 29 -3.615 -0.246 -4.146 1.00 0.00 C ATOM 442 CD ARG A 29 -3.584 -1.306 -3.055 1.00 0.00 C ATOM 443 NE ARG A 29 -3.065 -2.580 -3.542 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.573 -3.760 -3.204 1.00 0.00 C ATOM 445 NH1 ARG A 29 -4.617 -3.829 -2.390 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.039 -4.873 -3.682 1.00 0.00 N ATOM 0 H ARG A 29 -3.576 0.242 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.238 0.874 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.722 -0.551 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.773 -1.253 -5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.732 -0.343 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.577 0.746 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.967 -0.956 -2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.590 -1.451 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.267 -2.564 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.033 -2.974 -2.021 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.004 -4.737 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.237 -4.825 -4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.430 -5.779 -3.422 1.00 0.00 H new ATOM 460 N ILE A 30 -3.760 2.810 -5.604 1.00 0.00 N ATOM 461 CA ILE A 30 -3.339 4.066 -4.989 1.00 0.00 C ATOM 462 C ILE A 30 -4.482 5.084 -5.008 1.00 0.00 C ATOM 463 O ILE A 30 -5.160 5.239 -6.024 1.00 0.00 O ATOM 464 CB ILE A 30 -2.111 4.676 -5.707 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.908 3.729 -5.642 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.751 6.028 -5.107 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.632 3.173 -4.260 1.00 0.00 C ATOM 0 H ILE A 30 -3.189 2.513 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.062 3.838 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.376 4.820 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.075 2.899 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.022 4.259 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.885 6.438 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.595 6.710 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.515 5.906 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.234 2.513 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.431 3.994 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.500 2.612 -3.913 1.00 0.00 H new ATOM 479 N PRO A 31 -4.715 5.795 -3.886 1.00 0.00 N ATOM 480 CA PRO A 31 -5.782 6.801 -3.796 1.00 0.00 C ATOM 481 C PRO A 31 -5.703 7.832 -4.918 1.00 0.00 C ATOM 482 O PRO A 31 -4.657 8.440 -5.148 1.00 0.00 O ATOM 483 CB PRO A 31 -5.560 7.462 -2.431 1.00 0.00 C ATOM 484 CG PRO A 31 -4.199 7.028 -1.990 1.00 0.00 C ATOM 485 CD PRO A 31 -3.965 5.689 -2.625 1.00 0.00 C ATOM 0 HA PRO A 31 -6.769 6.349 -3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.620 8.548 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.322 7.150 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.440 7.746 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.145 6.959 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.905 5.503 -2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.334 4.875 -2.001 1.00 0.00 H new ATOM 493 N GLU A 32 -6.817 8.003 -5.629 1.00 0.00 N ATOM 494 CA GLU A 32 -6.897 8.937 -6.751 1.00 0.00 C ATOM 495 C GLU A 32 -6.558 10.371 -6.341 1.00 0.00 C ATOM 496 O GLU A 32 -6.538 11.269 -7.182 1.00 0.00 O ATOM 497 CB GLU A 32 -8.298 8.899 -7.364 1.00 0.00 C ATOM 498 CG GLU A 32 -8.369 8.123 -8.669 1.00 0.00 C ATOM 499 CD GLU A 32 -9.547 8.535 -9.529 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.531 9.669 -10.053 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.485 7.725 -9.681 1.00 0.00 O ATOM 0 H GLU A 32 -7.685 7.501 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.157 8.620 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.987 8.453 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.637 9.920 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.445 8.274 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.439 7.057 -8.450 1.00 0.00 H new ATOM 508 N GLY A 33 -6.286 10.584 -5.058 1.00 0.00 N ATOM 509 CA GLY A 33 -5.971 11.919 -4.584 1.00 0.00 C ATOM 510 C GLY A 33 -4.523 12.294 -4.826 1.00 0.00 C ATOM 511 O GLY A 33 -4.232 13.390 -5.305 1.00 0.00 O ATOM 0 H GLY A 33 -6.278 9.859 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.618 12.640 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.186 11.982 -3.517 1.00 0.00 H new ATOM 515 N THR A 34 -3.614 11.384 -4.496 1.00 0.00 N ATOM 516 CA THR A 34 -2.190 11.629 -4.685 1.00 0.00 C ATOM 517 C THR A 34 -1.525 10.460 -5.409 1.00 0.00 C ATOM 518 O THR A 34 -2.115 9.861 -6.310 1.00 0.00 O ATOM 519 CB THR A 34 -1.513 11.870 -3.336 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.470 12.204 -2.346 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.483 12.979 -3.374 1.00 0.00 C ATOM 0 H THR A 34 -3.837 10.472 -4.097 1.00 0.00 H new ATOM 0 HA THR A 34 -2.076 12.520 -5.303 1.00 0.00 H new ATOM 0 HB THR A 34 -1.008 10.935 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.112 12.911 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.040 13.099 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.297 12.727 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.963 13.911 -3.672 1.00 0.00 H new ATOM 529 N GLU A 35 -0.298 10.140 -5.011 1.00 0.00 N ATOM 530 CA GLU A 35 0.452 9.055 -5.627 1.00 0.00 C ATOM 531 C GLU A 35 1.205 8.253 -4.577 1.00 0.00 C ATOM 532 O GLU A 35 1.250 8.627 -3.404 1.00 0.00 O ATOM 533 CB GLU A 35 1.431 9.618 -6.659 1.00 0.00 C ATOM 534 CG GLU A 35 2.581 10.402 -6.046 1.00 0.00 C ATOM 535 CD GLU A 35 3.623 10.806 -7.070 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.237 11.140 -8.211 1.00 0.00 O ATOM 537 OE2 GLU A 35 4.825 10.790 -6.732 1.00 0.00 O ATOM 0 H GLU A 35 0.199 10.620 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.252 8.389 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.837 8.796 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.887 10.265 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.189 11.296 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.054 9.800 -5.270 1.00 0.00 H new ATOM 544 N LEU A 36 1.806 7.156 -5.013 1.00 0.00 N ATOM 545 CA LEU A 36 2.550 6.284 -4.115 1.00 0.00 C ATOM 546 C LEU A 36 3.890 6.905 -3.725 1.00 0.00 C ATOM 547 O LEU A 36 4.172 8.057 -4.054 1.00 0.00 O ATOM 548 CB LEU A 36 2.765 4.909 -4.761 1.00 0.00 C ATOM 549 CG LEU A 36 3.864 4.834 -5.828 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.978 3.415 -6.366 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.589 5.811 -6.964 1.00 0.00 C ATOM 0 H LEU A 36 1.793 6.848 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 36 1.962 6.157 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.000 4.192 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.825 4.590 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 36 4.810 5.113 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.761 3.375 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.226 2.736 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.028 3.117 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.383 5.738 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.633 5.569 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.553 6.827 -6.570 1.00 0.00 H new ATOM 563 N HIS A 37 4.675 6.157 -2.960 1.00 0.00 N ATOM 564 CA HIS A 37 5.973 6.627 -2.489 1.00 0.00 C ATOM 565 C HIS A 37 7.053 5.584 -2.725 1.00 0.00 C ATOM 566 O HIS A 37 7.906 5.729 -3.600 1.00 0.00 O ATOM 567 CB HIS A 37 5.902 6.941 -0.998 1.00 0.00 C ATOM 568 CG HIS A 37 7.160 7.534 -0.449 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.534 8.824 -0.738 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.094 6.970 0.355 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.676 9.019 -0.106 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.054 7.924 0.569 1.00 0.00 N ATOM 0 H HIS A 37 4.434 5.216 -2.650 1.00 0.00 H new ATOM 0 HA HIS A 37 6.226 7.527 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.077 7.631 -0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.674 6.025 -0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.084 5.965 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.235 9.943 -0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.897 7.821 1.135 1.00 0.00 H new ATOM 580 N LYS A 38 6.986 4.522 -1.934 1.00 0.00 N ATOM 581 CA LYS A 38 7.963 3.451 -1.991 1.00 0.00 C ATOM 582 C LYS A 38 7.412 2.204 -1.301 1.00 0.00 C ATOM 583 O LYS A 38 6.893 2.278 -0.186 1.00 0.00 O ATOM 584 CB LYS A 38 9.272 3.920 -1.341 1.00 0.00 C ATOM 585 CG LYS A 38 9.727 3.095 -0.146 1.00 0.00 C ATOM 586 CD LYS A 38 10.547 1.891 -0.577 1.00 0.00 C ATOM 587 CE LYS A 38 11.610 1.542 0.452 1.00 0.00 C ATOM 588 NZ LYS A 38 12.200 0.197 0.207 1.00 0.00 N ATOM 0 H LYS A 38 6.254 4.382 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 38 8.169 3.192 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.060 3.906 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.152 4.956 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.320 3.719 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.857 2.760 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.888 1.035 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.022 2.098 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.399 2.294 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.172 1.570 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.920 -0.003 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.452 -0.524 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.640 0.177 -0.735 1.00 0.00 H new ATOM 602 N ILE A 39 7.469 1.074 -1.998 1.00 0.00 N ATOM 603 CA ILE A 39 6.919 -0.173 -1.478 1.00 0.00 C ATOM 604 C ILE A 39 7.979 -1.022 -0.780 1.00 0.00 C ATOM 605 O ILE A 39 9.177 -0.843 -0.996 1.00 0.00 O ATOM 606 CB ILE A 39 6.256 -0.991 -2.596 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.473 -0.058 -3.527 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.347 -2.051 -1.995 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.478 -0.764 -4.424 1.00 0.00 C ATOM 0 H ILE A 39 7.890 0.996 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 39 6.166 0.102 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 39 7.025 -1.495 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.942 0.677 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.179 0.492 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.881 -2.626 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.934 -2.717 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.574 -1.570 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.968 -0.031 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.003 -1.479 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.746 -1.291 -3.812 1.00 0.00 H new ATOM 621 N ASP A 40 7.520 -1.946 0.064 1.00 0.00 N ATOM 622 CA ASP A 40 8.413 -2.812 0.826 1.00 0.00 C ATOM 623 C ASP A 40 8.059 -4.282 0.645 1.00 0.00 C ATOM 624 O ASP A 40 6.918 -4.682 0.856 1.00 0.00 O ATOM 625 CB ASP A 40 8.321 -2.467 2.308 1.00 0.00 C ATOM 626 CG ASP A 40 9.679 -2.385 2.976 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.562 -3.199 2.628 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.861 -1.509 3.847 1.00 0.00 O ATOM 0 H ASP A 40 6.529 -2.113 0.236 1.00 0.00 H new ATOM 0 HA ASP A 40 9.425 -2.649 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.806 -1.513 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.716 -3.219 2.815 1.00 0.00 H new ATOM 633 N GLU A 41 9.053 -5.091 0.302 1.00 0.00 N ATOM 634 CA GLU A 41 8.843 -6.524 0.138 1.00 0.00 C ATOM 635 C GLU A 41 9.011 -7.253 1.471 1.00 0.00 C ATOM 636 O GLU A 41 10.019 -7.921 1.702 1.00 0.00 O ATOM 637 CB GLU A 41 9.816 -7.087 -0.899 1.00 0.00 C ATOM 638 CG GLU A 41 11.216 -6.516 -0.777 1.00 0.00 C ATOM 639 CD GLU A 41 12.263 -7.390 -1.438 1.00 0.00 C ATOM 640 OE1 GLU A 41 12.041 -7.815 -2.591 1.00 0.00 O ATOM 641 OE2 GLU A 41 13.308 -7.648 -0.802 1.00 0.00 O ATOM 0 H GLU A 41 10.010 -4.781 0.132 1.00 0.00 H new ATOM 0 HA GLU A 41 7.823 -6.682 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.862 -8.171 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.432 -6.880 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.240 -5.524 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.464 -6.394 0.277 1.00 0.00 H new ATOM 648 N GLU A 42 8.028 -7.098 2.355 1.00 0.00 N ATOM 649 CA GLU A 42 8.058 -7.752 3.661 1.00 0.00 C ATOM 650 C GLU A 42 7.208 -9.016 3.639 1.00 0.00 C ATOM 651 O GLU A 42 6.090 -9.000 3.139 1.00 0.00 O ATOM 652 CB GLU A 42 7.555 -6.800 4.748 1.00 0.00 C ATOM 653 CG GLU A 42 8.638 -6.373 5.724 1.00 0.00 C ATOM 654 CD GLU A 42 8.162 -6.381 7.164 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.690 -7.440 7.628 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.262 -5.328 7.828 1.00 0.00 O ATOM 0 H GLU A 42 7.200 -6.525 2.191 1.00 0.00 H new ATOM 0 HA GLU A 42 9.089 -8.025 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.131 -5.913 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.749 -7.284 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.495 -7.040 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.982 -5.372 5.464 1.00 0.00 H new ATOM 663 N PRO A 43 7.731 -10.136 4.167 1.00 0.00 N ATOM 664 CA PRO A 43 7.024 -11.411 4.158 1.00 0.00 C ATOM 665 C PRO A 43 6.111 -11.595 5.360 1.00 0.00 C ATOM 666 O PRO A 43 6.290 -10.960 6.399 1.00 0.00 O ATOM 667 CB PRO A 43 8.158 -12.431 4.172 1.00 0.00 C ATOM 668 CG PRO A 43 9.303 -11.747 4.855 1.00 0.00 C ATOM 669 CD PRO A 43 9.062 -10.256 4.777 1.00 0.00 C ATOM 0 HA PRO A 43 6.356 -11.501 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.866 -13.335 4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.428 -12.732 3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.376 -12.069 5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.246 -12.008 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.090 -9.796 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.823 -9.761 4.173 1.00 0.00 H new ATOM 677 N ILE A 44 5.117 -12.460 5.194 1.00 0.00 N ATOM 678 CA ILE A 44 4.134 -12.716 6.238 1.00 0.00 C ATOM 679 C ILE A 44 4.061 -14.201 6.576 1.00 0.00 C ATOM 680 O ILE A 44 4.678 -14.659 7.538 1.00 0.00 O ATOM 681 CB ILE A 44 2.740 -12.220 5.808 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.874 -10.977 4.918 1.00 0.00 C ATOM 683 CG2 ILE A 44 1.878 -11.926 7.028 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.492 -9.784 5.624 1.00 0.00 C ATOM 0 H ILE A 44 4.971 -12.999 4.340 1.00 0.00 H new ATOM 0 HA ILE A 44 4.453 -12.170 7.126 1.00 0.00 H new ATOM 0 HB ILE A 44 2.250 -13.004 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.481 -11.228 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.887 -10.698 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.897 -11.577 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.763 -12.834 7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.356 -11.156 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.554 -8.944 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.874 -9.506 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.492 -10.044 5.970 1.00 0.00 H new ATOM 696 N ALA A 45 3.298 -14.948 5.783 1.00 0.00 N ATOM 697 CA ALA A 45 3.151 -16.384 5.993 1.00 0.00 C ATOM 698 C ALA A 45 4.464 -17.115 5.721 1.00 0.00 C ATOM 699 O ALA A 45 5.541 -16.523 5.792 1.00 0.00 O ATOM 700 CB ALA A 45 2.041 -16.936 5.112 1.00 0.00 C ATOM 0 H ALA A 45 2.772 -14.582 4.989 1.00 0.00 H new ATOM 0 HA ALA A 45 2.884 -16.549 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.943 -18.009 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.101 -16.443 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.282 -16.753 4.065 1.00 0.00 H new ATOM 706 N PHE A 46 4.366 -18.401 5.395 1.00 0.00 N ATOM 707 CA PHE A 46 5.547 -19.203 5.103 1.00 0.00 C ATOM 708 C PHE A 46 6.146 -18.807 3.758 1.00 0.00 C ATOM 709 O PHE A 46 7.344 -18.974 3.527 1.00 0.00 O ATOM 710 CB PHE A 46 5.190 -20.690 5.099 1.00 0.00 C ATOM 711 CG PHE A 46 5.193 -21.313 6.466 1.00 0.00 C ATOM 712 CD1 PHE A 46 6.375 -21.449 7.177 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.015 -21.764 7.039 1.00 0.00 C ATOM 714 CE1 PHE A 46 6.381 -22.019 8.436 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.015 -22.335 8.297 1.00 0.00 C ATOM 716 CZ PHE A 46 5.199 -22.465 8.997 1.00 0.00 C ATOM 0 H PHE A 46 3.483 -18.907 5.327 1.00 0.00 H new ATOM 0 HA PHE A 46 6.287 -19.018 5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.203 -20.817 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.898 -21.223 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.302 -21.106 6.742 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.086 -21.668 6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.308 -22.116 8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.089 -22.680 8.733 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.201 -22.914 9.979 1.00 0.00 H new ATOM 726 N GLY A 47 5.307 -18.258 2.885 1.00 0.00 N ATOM 727 CA GLY A 47 5.769 -17.843 1.572 1.00 0.00 C ATOM 728 C GLY A 47 4.969 -16.687 0.996 1.00 0.00 C ATOM 729 O GLY A 47 5.231 -16.246 -0.123 1.00 0.00 O ATOM 0 H GLY A 47 4.316 -18.093 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.818 -17.554 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.714 -18.691 0.889 1.00 0.00 H new ATOM 733 N LEU A 48 3.987 -16.199 1.752 1.00 0.00 N ATOM 734 CA LEU A 48 3.158 -15.087 1.299 1.00 0.00 C ATOM 735 C LEU A 48 3.738 -13.755 1.765 1.00 0.00 C ATOM 736 O LEU A 48 3.556 -13.354 2.915 1.00 0.00 O ATOM 737 CB LEU A 48 1.718 -15.251 1.802 1.00 0.00 C ATOM 738 CG LEU A 48 1.116 -16.655 1.638 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.406 -16.598 1.705 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.563 -17.292 0.330 1.00 0.00 C ATOM 0 H LEU A 48 3.748 -16.555 2.677 1.00 0.00 H new ATOM 0 HA LEU A 48 3.147 -15.092 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.688 -14.983 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.084 -14.539 1.274 1.00 0.00 H new ATOM 0 HG LEU A 48 1.479 -17.273 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.813 -17.602 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.713 -16.193 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.782 -15.958 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.122 -18.285 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.237 -16.673 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.650 -17.375 0.318 1.00 0.00 H new ATOM 752 N VAL A 49 4.433 -13.075 0.859 1.00 0.00 N ATOM 753 CA VAL A 49 5.072 -11.803 1.174 1.00 0.00 C ATOM 754 C VAL A 49 4.163 -10.621 0.850 1.00 0.00 C ATOM 755 O VAL A 49 3.605 -10.530 -0.243 1.00 0.00 O ATOM 756 CB VAL A 49 6.398 -11.645 0.401 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.988 -10.253 0.600 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.389 -12.718 0.824 1.00 0.00 C ATOM 0 H VAL A 49 4.568 -13.386 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 49 5.273 -11.808 2.245 1.00 0.00 H new ATOM 0 HB VAL A 49 6.189 -11.767 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.922 -10.171 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.283 -9.504 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.181 -10.088 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.319 -12.593 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.588 -12.629 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.971 -13.703 0.614 1.00 0.00 H new ATOM 768 N ALA A 50 4.061 -9.693 1.797 1.00 0.00 N ATOM 769 CA ALA A 50 3.250 -8.497 1.620 1.00 0.00 C ATOM 770 C ALA A 50 4.099 -7.328 1.144 1.00 0.00 C ATOM 771 O ALA A 50 5.324 -7.341 1.269 1.00 0.00 O ATOM 772 CB ALA A 50 2.551 -8.125 2.918 1.00 0.00 C ATOM 0 H ALA A 50 4.534 -9.749 2.699 1.00 0.00 H new ATOM 0 HA ALA A 50 2.499 -8.717 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.950 -7.229 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.905 -8.945 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.296 -7.934 3.691 1.00 0.00 H new ATOM 778 N LEU A 51 3.436 -6.317 0.602 1.00 0.00 N ATOM 779 CA LEU A 51 4.115 -5.130 0.109 1.00 0.00 C ATOM 780 C LEU A 51 3.617 -3.889 0.836 1.00 0.00 C ATOM 781 O LEU A 51 2.427 -3.576 0.808 1.00 0.00 O ATOM 782 CB LEU A 51 3.879 -4.983 -1.397 1.00 0.00 C ATOM 783 CG LEU A 51 4.844 -5.771 -2.285 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.687 -7.265 -2.045 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.612 -5.437 -3.751 1.00 0.00 C ATOM 0 H LEU A 51 2.422 -6.296 0.493 1.00 0.00 H new ATOM 0 HA LEU A 51 5.183 -5.237 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.861 -5.301 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.949 -3.927 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 51 5.864 -5.486 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.381 -7.811 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.902 -7.490 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.665 -7.566 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.307 -6.006 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.589 -5.694 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.774 -4.371 -3.911 1.00 0.00 H new ATOM 797 N ASN A 52 4.535 -3.186 1.487 1.00 0.00 N ATOM 798 CA ASN A 52 4.190 -1.974 2.214 1.00 0.00 C ATOM 799 C ASN A 52 4.310 -0.768 1.301 1.00 0.00 C ATOM 800 O ASN A 52 5.377 -0.166 1.176 1.00 0.00 O ATOM 801 CB ASN A 52 5.099 -1.805 3.432 1.00 0.00 C ATOM 802 CG ASN A 52 5.437 -3.128 4.095 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.535 -3.310 4.618 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.487 -4.056 4.084 1.00 0.00 N ATOM 0 H ASN A 52 5.523 -3.435 1.526 1.00 0.00 H new ATOM 0 HA ASN A 52 3.159 -2.056 2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.021 -1.309 3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.612 -1.153 4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.654 -4.962 4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.590 -3.862 3.639 1.00 0.00 H new ATOM 811 N VAL A 53 3.202 -0.429 0.663 1.00 0.00 N ATOM 812 CA VAL A 53 3.166 0.675 -0.279 1.00 0.00 C ATOM 813 C VAL A 53 2.897 1.997 0.421 1.00 0.00 C ATOM 814 O VAL A 53 1.760 2.309 0.776 1.00 0.00 O ATOM 815 CB VAL A 53 2.086 0.457 -1.352 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.253 1.455 -2.486 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.128 -0.971 -1.872 1.00 0.00 C ATOM 0 H VAL A 53 2.309 -0.908 0.783 1.00 0.00 H new ATOM 0 HA VAL A 53 4.147 0.712 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 53 1.109 0.621 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.480 1.286 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.164 2.468 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.235 1.327 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.356 -1.105 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.106 -1.170 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.952 -1.663 -1.049 1.00 0.00 H new ATOM 827 N MET A 54 3.946 2.794 0.566 1.00 0.00 N ATOM 828 CA MET A 54 3.829 4.106 1.182 1.00 0.00 C ATOM 829 C MET A 54 3.405 5.129 0.143 1.00 0.00 C ATOM 830 O MET A 54 3.484 4.872 -1.056 1.00 0.00 O ATOM 831 CB MET A 54 5.160 4.521 1.814 1.00 0.00 C ATOM 832 CG MET A 54 5.554 3.678 3.016 1.00 0.00 C ATOM 833 SD MET A 54 7.239 3.050 2.902 1.00 0.00 S ATOM 834 CE MET A 54 7.121 1.576 3.915 1.00 0.00 C ATOM 0 H MET A 54 4.890 2.553 0.264 1.00 0.00 H new ATOM 0 HA MET A 54 3.073 4.058 1.966 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.946 4.455 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.098 5.566 2.119 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.454 4.275 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.864 2.840 3.109 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.049 1.010 3.843 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.949 1.861 4.953 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.292 0.960 3.566 1.00 0.00 H new ATOM 844 N VAL A 55 2.923 6.273 0.605 1.00 0.00 N ATOM 845 CA VAL A 55 2.463 7.319 -0.295 1.00 0.00 C ATOM 846 C VAL A 55 2.942 8.693 0.168 1.00 0.00 C ATOM 847 O VAL A 55 2.771 9.065 1.329 1.00 0.00 O ATOM 848 CB VAL A 55 0.925 7.313 -0.421 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.422 5.904 -0.691 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.266 7.881 0.826 1.00 0.00 C ATOM 0 H VAL A 55 2.840 6.500 1.596 1.00 0.00 H new ATOM 0 HA VAL A 55 2.891 7.113 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 55 0.655 7.951 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.665 5.916 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.856 5.535 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.714 5.250 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.817 7.863 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.545 7.279 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.597 8.909 0.977 1.00 0.00 H new ATOM 860 N VAL A 56 3.586 9.425 -0.733 1.00 0.00 N ATOM 861 CA VAL A 56 4.094 10.752 -0.405 1.00 0.00 C ATOM 862 C VAL A 56 3.089 11.834 -0.798 1.00 0.00 C ATOM 863 O VAL A 56 2.863 12.088 -1.982 1.00 0.00 O ATOM 864 CB VAL A 56 5.458 11.027 -1.077 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.516 10.389 -2.455 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.743 12.521 -1.158 1.00 0.00 C ATOM 0 H VAL A 56 3.768 9.125 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 56 4.239 10.780 0.675 1.00 0.00 H new ATOM 0 HB VAL A 56 6.233 10.575 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.485 10.595 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.380 9.311 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.725 10.803 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.710 12.682 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.964 13.009 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.760 12.943 -0.153 1.00 0.00 H new ATOM 876 N VAL A 57 2.486 12.462 0.207 1.00 0.00 N ATOM 877 CA VAL A 57 1.512 13.523 -0.023 1.00 0.00 C ATOM 878 C VAL A 57 1.871 14.768 0.784 1.00 0.00 C ATOM 879 O VAL A 57 2.428 14.670 1.876 1.00 0.00 O ATOM 880 CB VAL A 57 0.077 13.069 0.328 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.167 11.649 -0.158 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.184 13.174 1.823 1.00 0.00 C ATOM 0 H VAL A 57 2.656 12.253 1.191 1.00 0.00 H new ATOM 0 HA VAL A 57 1.542 13.762 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.619 13.736 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.182 11.346 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.038 11.607 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.544 10.974 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.201 12.848 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.522 12.541 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.059 14.209 2.142 1.00 0.00 H new ATOM 892 N GLY A 58 1.571 15.937 0.229 1.00 0.00 N ATOM 893 CA GLY A 58 1.875 17.180 0.912 1.00 0.00 C ATOM 894 C GLY A 58 1.231 18.380 0.248 1.00 0.00 C ATOM 895 O GLY A 58 0.400 19.059 0.851 1.00 0.00 O ATOM 0 H GLY A 58 1.123 16.046 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.535 17.115 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.956 17.321 0.940 1.00 0.00 H new ATOM 899 N ASP A 59 1.606 18.635 -1.002 1.00 0.00 N ATOM 900 CA ASP A 59 1.045 19.753 -1.750 1.00 0.00 C ATOM 901 C ASP A 59 -0.321 19.381 -2.307 1.00 0.00 C ATOM 902 O ASP A 59 -1.065 20.235 -2.789 1.00 0.00 O ATOM 903 CB ASP A 59 1.984 20.160 -2.888 1.00 0.00 C ATOM 904 CG ASP A 59 1.539 21.434 -3.579 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.169 22.395 -2.871 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.558 21.471 -4.826 1.00 0.00 O ATOM 0 H ASP A 59 2.294 18.084 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 59 0.931 20.600 -1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.991 20.297 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.036 19.353 -3.619 1.00 0.00 H new ATOM 911 N ALA A 60 -0.641 18.096 -2.228 1.00 0.00 N ATOM 912 CA ALA A 60 -1.923 17.589 -2.694 1.00 0.00 C ATOM 913 C ALA A 60 -3.064 18.098 -1.814 1.00 0.00 C ATOM 914 O ALA A 60 -3.030 19.227 -1.326 1.00 0.00 O ATOM 915 CB ALA A 60 -1.894 16.071 -2.719 1.00 0.00 C ATOM 0 H ALA A 60 -0.024 17.381 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.099 17.955 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.855 15.694 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.106 15.733 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.700 15.694 -1.715 1.00 0.00 H new ATOM 921 N GLU A 61 -4.068 17.253 -1.605 1.00 0.00 N ATOM 922 CA GLU A 61 -5.215 17.617 -0.783 1.00 0.00 C ATOM 923 C GLU A 61 -5.766 16.399 -0.053 1.00 0.00 C ATOM 924 O GLU A 61 -5.123 15.349 -0.005 1.00 0.00 O ATOM 925 CB GLU A 61 -6.314 18.242 -1.648 1.00 0.00 C ATOM 926 CG GLU A 61 -6.200 17.900 -3.125 1.00 0.00 C ATOM 927 CD GLU A 61 -7.359 18.440 -3.940 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.382 17.733 -4.058 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.243 19.569 -4.460 1.00 0.00 O ATOM 0 H GLU A 61 -4.110 16.311 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.883 18.347 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.285 17.910 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.283 19.325 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.266 18.304 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.153 16.817 -3.241 1.00 0.00 H new ATOM 936 N GLY A 62 -6.964 16.541 0.502 1.00 0.00 N ATOM 937 CA GLY A 62 -7.591 15.435 1.197 1.00 0.00 C ATOM 938 C GLY A 62 -8.252 14.476 0.232 1.00 0.00 C ATOM 939 O GLY A 62 -9.059 13.635 0.630 1.00 0.00 O ATOM 0 H GLY A 62 -7.511 17.402 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.843 14.903 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.334 15.818 1.897 1.00 0.00 H new ATOM 943 N GLY A 63 -7.900 14.605 -1.045 1.00 0.00 N ATOM 944 CA GLY A 63 -8.461 13.743 -2.066 1.00 0.00 C ATOM 945 C GLY A 63 -7.962 12.315 -1.959 1.00 0.00 C ATOM 946 O GLY A 63 -8.363 11.453 -2.741 1.00 0.00 O ATOM 0 H GLY A 63 -7.233 15.295 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.548 13.751 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.210 14.139 -3.050 1.00 0.00 H new ATOM 950 N THR A 64 -7.097 12.061 -0.981 1.00 0.00 N ATOM 951 CA THR A 64 -6.556 10.722 -0.773 1.00 0.00 C ATOM 952 C THR A 64 -7.614 9.812 -0.170 1.00 0.00 C ATOM 953 O THR A 64 -7.385 8.620 0.027 1.00 0.00 O ATOM 954 CB THR A 64 -5.328 10.769 0.138 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.710 10.670 1.499 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.508 12.031 -0.018 1.00 0.00 C ATOM 0 H THR A 64 -6.757 12.762 -0.323 1.00 0.00 H new ATOM 0 HA THR A 64 -6.255 10.323 -1.742 1.00 0.00 H new ATOM 0 HB THR A 64 -4.714 9.921 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.911 10.700 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.654 11.996 0.658 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.154 12.110 -1.046 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.125 12.897 0.221 1.00 0.00 H new ATOM 964 N GLU A 65 -8.777 10.389 0.120 1.00 0.00 N ATOM 965 CA GLU A 65 -9.898 9.632 0.658 1.00 0.00 C ATOM 966 C GLU A 65 -10.226 8.463 -0.254 1.00 0.00 C ATOM 967 O GLU A 65 -10.795 7.458 0.173 1.00 0.00 O ATOM 968 CB GLU A 65 -11.120 10.536 0.784 1.00 0.00 C ATOM 969 CG GLU A 65 -11.466 11.274 -0.499 1.00 0.00 C ATOM 970 CD GLU A 65 -12.960 11.451 -0.687 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.724 10.573 -0.233 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.367 12.468 -1.289 1.00 0.00 O ATOM 0 H GLU A 65 -8.966 11.383 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.624 9.252 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.976 9.935 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.943 11.264 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.986 12.253 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.059 10.727 -1.349 1.00 0.00 H new ATOM 979 N ALA A 66 -9.840 8.608 -1.513 1.00 0.00 N ATOM 980 CA ALA A 66 -10.090 7.587 -2.522 1.00 0.00 C ATOM 981 C ALA A 66 -9.486 6.250 -2.110 1.00 0.00 C ATOM 982 O ALA A 66 -10.010 5.195 -2.459 1.00 0.00 O ATOM 983 CB ALA A 66 -9.535 8.028 -3.867 1.00 0.00 C ATOM 0 H ALA A 66 -9.348 9.430 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.168 7.456 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.729 7.256 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.017 8.956 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.460 8.189 -3.782 1.00 0.00 H new ATOM 989 N ALA A 67 -8.426 6.301 -1.309 1.00 0.00 N ATOM 990 CA ALA A 67 -7.774 5.085 -0.837 1.00 0.00 C ATOM 991 C ALA A 67 -8.754 4.226 -0.050 1.00 0.00 C ATOM 992 O ALA A 67 -8.998 3.069 -0.397 1.00 0.00 O ATOM 993 CB ALA A 67 -6.566 5.429 0.023 1.00 0.00 C ATOM 0 H ALA A 67 -8.002 7.167 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.434 4.518 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.091 4.510 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.854 6.008 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.887 6.016 0.884 1.00 0.00 H new ATOM 999 N GLU A 68 -9.343 4.812 0.988 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.318 4.108 1.810 1.00 0.00 C ATOM 1001 C GLU A 68 -11.484 3.617 0.958 1.00 0.00 C ATOM 1002 O GLU A 68 -12.031 2.542 1.199 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.832 5.023 2.924 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.776 5.371 3.961 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.160 4.925 5.358 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.748 3.831 5.491 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.873 5.669 6.319 1.00 0.00 O ATOM 0 H GLU A 68 -9.161 5.773 1.279 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.828 3.244 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.211 5.944 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.672 4.539 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.831 4.905 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.613 6.449 3.960 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.869 4.423 -0.028 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.952 4.061 -0.931 1.00 0.00 C ATOM 1016 C GLU A 69 -12.612 2.785 -1.689 1.00 0.00 C ATOM 1017 O GLU A 69 -13.404 1.843 -1.732 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.224 5.198 -1.918 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.672 5.661 -1.931 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.129 6.109 -3.304 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.721 7.207 -3.738 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.896 5.362 -3.948 1.00 0.00 O ATOM 0 H GLU A 69 -11.445 5.331 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.849 3.886 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.583 6.044 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.947 4.872 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.312 4.849 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.793 6.483 -1.226 1.00 0.00 H new ATOM 1029 N SER A 70 -11.436 2.775 -2.308 1.00 0.00 N ATOM 1030 CA SER A 70 -10.974 1.618 -3.059 1.00 0.00 C ATOM 1031 C SER A 70 -10.763 0.424 -2.139 1.00 0.00 C ATOM 1032 O SER A 70 -10.754 -0.720 -2.586 1.00 0.00 O ATOM 1033 CB SER A 70 -9.673 1.945 -3.796 1.00 0.00 C ATOM 1034 OG SER A 70 -8.580 2.014 -2.897 1.00 0.00 O ATOM 0 H SER A 70 -10.785 3.560 -2.303 1.00 0.00 H new ATOM 0 HA SER A 70 -11.741 1.361 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.479 1.184 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.777 2.895 -4.320 1.00 0.00 H new ATOM 0 HG SER A 70 -8.876 2.411 -2.052 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.611 0.701 -0.847 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.394 -0.348 0.143 1.00 0.00 C ATOM 1042 C LEU A 71 -11.677 -1.131 0.393 1.00 0.00 C ATOM 1043 O LEU A 71 -11.639 -2.310 0.747 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.888 0.261 1.453 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.512 -0.226 1.918 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.517 -1.735 2.114 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.436 0.183 0.923 1.00 0.00 C ATOM 0 H LEU A 71 -10.634 1.645 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.642 -1.035 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.851 1.344 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.614 0.047 2.237 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.287 0.242 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.531 -2.062 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.259 -2.002 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.765 -2.223 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.466 -0.172 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.655 -0.255 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.415 1.269 0.836 1.00 0.00 H new ATOM 1059 N SER A 72 -12.812 -0.468 0.197 1.00 0.00 N ATOM 1060 CA SER A 72 -14.112 -1.101 0.382 1.00 0.00 C ATOM 1061 C SER A 72 -14.312 -2.229 -0.628 1.00 0.00 C ATOM 1062 O SER A 72 -15.209 -3.059 -0.480 1.00 0.00 O ATOM 1063 CB SER A 72 -15.227 -0.063 0.238 1.00 0.00 C ATOM 1064 OG SER A 72 -16.032 -0.013 1.403 1.00 0.00 O ATOM 0 H SER A 72 -12.857 0.510 -0.091 1.00 0.00 H new ATOM 0 HA SER A 72 -14.149 -1.526 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.792 0.919 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.846 -0.307 -0.625 1.00 0.00 H new ATOM 0 HG SER A 72 -16.736 0.659 1.286 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.461 -2.250 -1.650 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.539 -3.277 -2.673 1.00 0.00 C ATOM 1072 C GLY A 73 -12.186 -3.557 -3.294 1.00 0.00 C ATOM 1073 O GLY A 73 -12.090 -3.962 -4.453 1.00 0.00 O ATOM 0 H GLY A 73 -12.714 -1.569 -1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.936 -4.194 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.237 -2.964 -3.449 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.141 -3.333 -2.510 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.769 -3.536 -2.960 1.00 0.00 C ATOM 1079 C ILE A 74 -9.444 -5.029 -3.069 1.00 0.00 C ATOM 1080 O ILE A 74 -10.349 -5.858 -3.154 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.779 -2.830 -2.000 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.502 -2.428 -2.738 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.458 -3.701 -0.791 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.988 -1.061 -2.347 1.00 0.00 C ATOM 0 H ILE A 74 -11.219 -3.006 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.665 -3.097 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.261 -1.924 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.728 -3.169 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.691 -2.444 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.761 -3.175 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.376 -3.916 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.007 -4.636 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.080 -0.839 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.745 -0.310 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.767 -1.047 -1.280 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.152 -5.361 -3.072 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.703 -6.743 -3.156 1.00 0.00 C ATOM 1098 C GLU A 75 -8.420 -7.615 -2.128 1.00 0.00 C ATOM 1099 O GLU A 75 -7.974 -7.748 -0.988 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.187 -6.795 -2.936 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.413 -7.223 -4.169 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.228 -6.098 -5.169 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -5.920 -5.065 -5.037 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.391 -6.248 -6.083 1.00 0.00 O ATOM 0 H GLU A 75 -7.394 -4.680 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.942 -7.133 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.839 -5.811 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.969 -7.486 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.435 -7.598 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.936 -8.049 -4.651 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.545 -8.198 -2.545 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.327 -9.042 -1.658 1.00 0.00 C ATOM 1113 C GLY A 76 -9.550 -10.248 -1.179 1.00 0.00 C ATOM 1114 O GLY A 76 -9.815 -10.778 -0.101 1.00 0.00 O ATOM 0 H GLY A 76 -9.928 -8.099 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.653 -8.457 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.226 -9.375 -2.176 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.579 -10.672 -1.978 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.740 -11.805 -1.620 1.00 0.00 C ATOM 1120 C VAL A 77 -6.569 -11.340 -0.777 1.00 0.00 C ATOM 1121 O VAL A 77 -6.197 -11.978 0.207 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.213 -12.536 -2.870 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.070 -11.770 -3.523 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.777 -13.951 -2.509 1.00 0.00 C ATOM 0 H VAL A 77 -8.354 -10.247 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.353 -12.502 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.025 -12.593 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.722 -12.314 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.419 -10.782 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.250 -11.665 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.407 -14.456 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.985 -13.908 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.627 -14.502 -2.106 1.00 0.00 H new ATOM 1134 N SER A 78 -6.026 -10.192 -1.150 1.00 0.00 N ATOM 1135 CA SER A 78 -4.905 -9.610 -0.440 1.00 0.00 C ATOM 1136 C SER A 78 -5.394 -8.585 0.569 1.00 0.00 C ATOM 1137 O SER A 78 -5.539 -7.406 0.246 1.00 0.00 O ATOM 1138 CB SER A 78 -3.933 -8.950 -1.422 1.00 0.00 C ATOM 1139 OG SER A 78 -3.018 -8.106 -0.745 1.00 0.00 O ATOM 0 H SER A 78 -6.349 -9.643 -1.947 1.00 0.00 H new ATOM 0 HA SER A 78 -4.383 -10.407 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.387 -9.718 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.491 -8.371 -2.157 1.00 0.00 H new ATOM 0 HG SER A 78 -3.043 -7.211 -1.143 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.660 -9.033 1.793 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.091 -8.112 2.835 1.00 0.00 C ATOM 1147 C ASN A 79 -4.896 -7.333 3.316 1.00 0.00 C ATOM 1148 O ASN A 79 -3.833 -7.894 3.583 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.752 -8.820 4.015 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.744 -7.920 4.750 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.854 -8.350 5.067 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.362 -6.663 5.027 1.00 0.00 N ATOM 0 H ASN A 79 -5.586 -10.008 2.082 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.842 -7.450 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.269 -9.711 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.983 -9.155 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.998 -6.032 5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.435 -6.339 4.750 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.072 -6.039 3.404 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.989 -5.164 3.751 1.00 0.00 C ATOM 1161 C ILE A 80 -4.035 -4.733 5.202 1.00 0.00 C ATOM 1162 O ILE A 80 -5.106 -4.513 5.768 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.043 -3.904 2.884 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.255 -4.266 1.416 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.787 -3.087 3.070 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -4.808 -3.129 0.587 1.00 0.00 C ATOM 0 H ILE A 80 -5.962 -5.569 3.238 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.068 -5.723 3.583 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.892 -3.299 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.305 -4.588 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.936 -5.115 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.839 -2.194 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.694 -2.795 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.920 -3.681 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.933 -3.458 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.773 -2.821 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.117 -2.287 0.618 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.856 -4.537 5.772 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.747 -3.964 7.094 1.00 0.00 C ATOM 1180 C GLU A 81 -2.766 -2.465 6.904 1.00 0.00 C ATOM 1181 O GLU A 81 -1.724 -1.807 6.875 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.470 -4.408 7.803 1.00 0.00 C ATOM 1183 CG GLU A 81 -0.638 -5.377 6.995 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.181 -6.792 7.034 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -1.230 -7.378 8.135 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.555 -7.315 5.963 1.00 0.00 O ATOM 0 H GLU A 81 -1.964 -4.768 5.335 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.569 -4.299 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.868 -3.529 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.734 -4.872 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.596 -5.037 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.384 -5.374 7.373 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.955 -1.973 6.597 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.151 -0.583 6.253 1.00 0.00 C ATOM 1195 C VAL A 82 -4.230 0.279 7.510 1.00 0.00 C ATOM 1196 O VAL A 82 -5.223 0.963 7.765 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.429 -0.429 5.398 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.693 1.032 5.061 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.315 -1.251 4.127 1.00 0.00 C ATOM 0 H VAL A 82 -4.809 -2.530 6.581 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.297 -0.241 5.669 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.272 -0.797 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.598 1.109 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.821 1.601 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.849 1.434 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.222 -1.133 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.457 -0.909 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.184 -2.302 4.384 1.00 0.00 H new ATOM 1209 N THR A 83 -3.194 0.175 8.329 1.00 0.00 N ATOM 1210 CA THR A 83 -3.115 0.936 9.566 1.00 0.00 C ATOM 1211 C THR A 83 -1.751 1.602 9.724 1.00 0.00 C ATOM 1212 O THR A 83 -1.456 2.173 10.775 1.00 0.00 O ATOM 1213 CB THR A 83 -3.388 0.024 10.763 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.383 -0.935 10.446 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.846 0.773 11.994 1.00 0.00 C ATOM 0 H THR A 83 -2.393 -0.432 8.157 1.00 0.00 H new ATOM 0 HA THR A 83 -3.872 1.719 9.525 1.00 0.00 H new ATOM 0 HB THR A 83 -2.434 -0.455 10.985 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.543 -1.510 11.223 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.022 0.067 12.805 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.077 1.485 12.293 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.770 1.308 11.772 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.882 1.453 8.724 1.00 0.00 N ATOM 1224 CA ASP A 84 0.449 2.029 8.800 1.00 0.00 C ATOM 1225 C ASP A 84 0.440 3.480 8.332 1.00 0.00 C ATOM 1226 O ASP A 84 -0.197 3.816 7.333 1.00 0.00 O ATOM 1227 CB ASP A 84 1.432 1.196 7.978 1.00 0.00 C ATOM 1228 CG ASP A 84 2.878 1.468 8.349 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.129 2.422 9.114 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.761 0.723 7.872 1.00 0.00 O ATOM 0 H ASP A 84 -1.078 0.943 7.863 1.00 0.00 H new ATOM 0 HA ASP A 84 0.773 2.017 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.216 0.138 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.286 1.409 6.919 1.00 0.00 H new