USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 160:sc= -0.0439! USER MOD Set 1.2: A 110 ASN : amide:sc= -20.4! C(o=-20!,f=-16!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -135:sc= -0.474 (180deg=-3.01!) USER MOD Set 2.2: A 103 THR OG1 : rot -143:sc= -2.47! USER MOD Set 3.1: A 37 LYS NZ :NH3+ 170:sc= -3.77! (180deg=-1.07) USER MOD Set 3.2: A 67 HIS : no HE2:sc= -5.87! C(o=-9.6!,f=-12!) USER MOD Single : A 4 LYS NZ :NH3+ 132:sc= -2.91! (180deg=-5.63!) USER MOD Single : A 7 MET CE :methyl -108:sc= -0.537 (180deg=-4.72!) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.005) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -3.19 (180deg=-4.58!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0464 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -4.02! K(o=-4!,f=-1.2) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 40 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 41 TYR OH : rot 143:sc= 0.384 USER MOD Single : A 45 CYS SG : rot 23:sc= -0.198 USER MOD Single : A 47 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -10.7! K(o=-11!,f=-0.44) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-4!) USER MOD Single : A 70 THR OG1 : rot -167:sc= -9.06! USER MOD Single : A 74 SER OG : rot -78:sc= -0.774 USER MOD Single : A 77 TYR OH : rot 130:sc=-0.00751 USER MOD Single : A 80 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-9.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 47:sc= -4.06 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -139:sc= -1.36 (180deg=-3.59!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= 1.23 (180deg=0.0734) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -3.84! C(o=-3.8!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.177 -7.282 86.636 1.00 0.00 N ATOM 44 CA LYS A 4 -6.604 -6.989 87.980 1.00 0.00 C ATOM 45 C LYS A 4 -6.183 -8.289 88.672 1.00 0.00 C ATOM 46 O LYS A 4 -5.038 -8.473 89.028 1.00 0.00 O ATOM 47 CB LYS A 4 -7.668 -6.300 88.830 1.00 0.00 C ATOM 48 CG LYS A 4 -8.286 -5.141 88.045 1.00 0.00 C ATOM 49 CD LYS A 4 -9.037 -4.214 89.004 1.00 0.00 C ATOM 50 CE LYS A 4 -10.203 -4.970 89.648 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.688 -5.845 90.739 1.00 0.00 N ATOM 0 HA LYS A 4 -5.731 -6.346 87.864 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.442 -7.015 89.111 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.225 -5.930 89.755 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.507 -4.586 87.522 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.968 -5.525 87.286 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.359 -3.847 89.775 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.409 -3.343 88.465 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.931 -4.264 90.047 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.719 -5.571 88.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.267 -5.713 91.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.737 -6.839 90.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.701 -5.594 90.948 1.00 0.00 H new ATOM 65 N GLU A 5 -7.116 -9.177 88.881 1.00 0.00 N ATOM 66 CA GLU A 5 -6.807 -10.463 89.573 1.00 0.00 C ATOM 67 C GLU A 5 -5.505 -11.073 89.041 1.00 0.00 C ATOM 68 O GLU A 5 -4.772 -11.709 89.771 1.00 0.00 O ATOM 69 CB GLU A 5 -7.964 -11.442 89.340 1.00 0.00 C ATOM 70 CG GLU A 5 -7.765 -12.701 90.190 1.00 0.00 C ATOM 71 CD GLU A 5 -8.776 -13.769 89.764 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.953 -13.585 90.027 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.354 -14.756 89.184 1.00 0.00 O ATOM 0 H GLU A 5 -8.090 -9.066 88.599 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.683 -10.270 90.638 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.911 -10.966 89.596 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.017 -11.710 88.285 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.749 -13.078 90.069 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.894 -12.464 91.246 1.00 0.00 H new ATOM 80 N PHE A 6 -5.206 -10.905 87.785 1.00 0.00 N ATOM 81 CA PHE A 6 -3.951 -11.503 87.244 1.00 0.00 C ATOM 82 C PHE A 6 -2.733 -10.718 87.753 1.00 0.00 C ATOM 83 O PHE A 6 -1.934 -11.229 88.513 1.00 0.00 O ATOM 84 CB PHE A 6 -3.995 -11.487 85.707 1.00 0.00 C ATOM 85 CG PHE A 6 -2.630 -11.820 85.121 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.906 -12.938 85.571 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.093 -11.006 84.112 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.653 -13.230 85.019 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.840 -11.302 83.563 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.122 -12.415 84.014 1.00 0.00 C ATOM 0 H PHE A 6 -5.769 -10.384 87.113 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.865 -12.535 87.586 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.733 -12.207 85.353 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.315 -10.505 85.359 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.317 -13.572 86.343 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.648 -10.149 83.758 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.096 -14.086 85.370 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.427 -10.671 82.790 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.843 -12.645 83.586 1.00 0.00 H new ATOM 100 N MET A 7 -2.574 -9.488 87.338 1.00 0.00 N ATOM 101 CA MET A 7 -1.397 -8.699 87.805 1.00 0.00 C ATOM 102 C MET A 7 -1.393 -8.629 89.334 1.00 0.00 C ATOM 103 O MET A 7 -0.356 -8.595 89.966 1.00 0.00 O ATOM 104 CB MET A 7 -1.438 -7.279 87.209 1.00 0.00 C ATOM 105 CG MET A 7 -2.313 -6.344 88.065 1.00 0.00 C ATOM 106 SD MET A 7 -2.830 -4.924 87.072 1.00 0.00 S ATOM 107 CE MET A 7 -3.901 -5.820 85.919 1.00 0.00 C ATOM 0 H MET A 7 -3.203 -8.999 86.701 1.00 0.00 H new ATOM 0 HA MET A 7 -0.484 -9.191 87.469 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.426 -6.878 87.146 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.829 -7.319 86.192 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.187 -6.882 88.432 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.756 -6.006 88.939 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.422 -5.869 84.941 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.071 -6.831 86.291 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.855 -5.301 85.831 1.00 0.00 H new ATOM 117 N TRP A 8 -2.552 -8.568 89.925 1.00 0.00 N ATOM 118 CA TRP A 8 -2.635 -8.459 91.409 1.00 0.00 C ATOM 119 C TRP A 8 -1.859 -9.587 92.096 1.00 0.00 C ATOM 120 O TRP A 8 -1.649 -9.552 93.292 1.00 0.00 O ATOM 121 CB TRP A 8 -4.099 -8.513 91.846 1.00 0.00 C ATOM 122 CG TRP A 8 -4.196 -8.133 93.285 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.280 -9.004 94.315 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.219 -6.801 93.871 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.358 -8.291 95.498 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.322 -6.929 95.276 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.159 -5.508 93.323 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.368 -5.813 96.110 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.205 -4.381 94.160 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.307 -4.534 95.552 1.00 0.00 C ATOM 0 H TRP A 8 -3.451 -8.589 89.443 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.190 -7.508 91.703 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.698 -7.835 91.237 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.499 -9.515 91.695 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.285 -10.081 94.229 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.433 -8.719 96.421 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.077 -5.381 92.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.450 -5.936 97.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.162 -3.391 93.730 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.338 -3.664 96.191 1.00 0.00 H new ATOM 141 N ALA A 9 -1.424 -10.586 91.373 1.00 0.00 N ATOM 142 CA ALA A 9 -0.664 -11.684 92.017 1.00 0.00 C ATOM 143 C ALA A 9 0.819 -11.330 92.019 1.00 0.00 C ATOM 144 O ALA A 9 1.506 -11.483 93.009 1.00 0.00 O ATOM 145 CB ALA A 9 -0.895 -12.981 91.245 1.00 0.00 C ATOM 0 H ALA A 9 -1.564 -10.684 90.367 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.002 -11.819 93.044 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.337 -13.790 91.717 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.958 -13.223 91.249 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.555 -12.858 90.217 1.00 0.00 H new ATOM 151 N LEU A 10 1.313 -10.835 90.920 1.00 0.00 N ATOM 152 CA LEU A 10 2.747 -10.446 90.863 1.00 0.00 C ATOM 153 C LEU A 10 2.974 -9.319 91.862 1.00 0.00 C ATOM 154 O LEU A 10 4.074 -8.840 92.055 1.00 0.00 O ATOM 155 CB LEU A 10 3.115 -9.941 89.461 1.00 0.00 C ATOM 156 CG LEU A 10 2.914 -11.050 88.396 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.534 -10.926 87.739 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.981 -10.929 87.293 1.00 0.00 C ATOM 0 H LEU A 10 0.786 -10.683 90.060 1.00 0.00 H new ATOM 0 HA LEU A 10 3.365 -11.313 91.098 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.501 -9.076 89.210 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.153 -9.608 89.452 1.00 0.00 H new ATOM 0 HG LEU A 10 2.999 -12.013 88.900 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.413 -11.713 86.995 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.759 -11.023 88.499 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.448 -9.953 87.255 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.829 -11.713 86.552 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.898 -9.954 86.812 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.973 -11.033 87.733 1.00 0.00 H new ATOM 170 N LYS A 11 1.913 -8.867 92.456 1.00 0.00 N ATOM 171 CA LYS A 11 1.984 -7.733 93.414 1.00 0.00 C ATOM 172 C LYS A 11 2.230 -8.190 94.862 1.00 0.00 C ATOM 173 O LYS A 11 3.273 -7.948 95.434 1.00 0.00 O ATOM 174 CB LYS A 11 0.634 -7.035 93.355 1.00 0.00 C ATOM 175 CG LYS A 11 0.501 -6.015 94.498 1.00 0.00 C ATOM 176 CD LYS A 11 -0.620 -5.017 94.187 1.00 0.00 C ATOM 177 CE LYS A 11 -0.957 -4.204 95.442 1.00 0.00 C ATOM 178 NZ LYS A 11 0.154 -3.254 95.736 1.00 0.00 N ATOM 0 H LYS A 11 0.976 -9.244 92.316 1.00 0.00 H new ATOM 0 HA LYS A 11 2.817 -7.087 93.137 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.521 -6.531 92.395 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.166 -7.772 93.424 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.289 -6.532 95.434 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.443 -5.484 94.634 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.312 -4.349 93.382 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.506 -5.548 93.839 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.888 -3.656 95.294 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.112 -4.872 96.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.098 -2.668 96.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.021 -3.788 95.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.315 -2.642 94.911 1.00 0.00 H new ATOM 192 N ASN A 12 1.232 -8.780 95.472 1.00 0.00 N ATOM 193 CA ASN A 12 1.340 -9.185 96.908 1.00 0.00 C ATOM 194 C ASN A 12 1.990 -10.560 97.051 1.00 0.00 C ATOM 195 O ASN A 12 2.005 -11.132 98.123 1.00 0.00 O ATOM 196 CB ASN A 12 -0.083 -9.202 97.513 1.00 0.00 C ATOM 197 CG ASN A 12 -0.297 -7.967 98.397 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.236 -6.849 97.925 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.544 -8.128 99.667 1.00 0.00 N ATOM 0 H ASN A 12 0.339 -9.000 95.032 1.00 0.00 H new ATOM 0 HA ASN A 12 1.972 -8.472 97.437 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.825 -9.220 96.715 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.225 -10.109 98.101 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.686 -7.315 100.266 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.595 -9.067 100.062 1.00 0.00 H new ATOM 206 N GLY A 13 2.543 -11.090 96.007 1.00 0.00 N ATOM 207 CA GLY A 13 3.202 -12.409 96.121 1.00 0.00 C ATOM 208 C GLY A 13 2.187 -13.540 96.016 1.00 0.00 C ATOM 209 O GLY A 13 2.458 -14.644 96.445 1.00 0.00 O ATOM 0 H GLY A 13 2.567 -10.667 95.079 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.951 -12.514 95.336 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.728 -12.475 97.074 1.00 0.00 H new ATOM 213 N ASP A 14 1.036 -13.303 95.447 1.00 0.00 N ATOM 214 CA ASP A 14 0.059 -14.408 95.311 1.00 0.00 C ATOM 215 C ASP A 14 0.628 -15.346 94.264 1.00 0.00 C ATOM 216 O ASP A 14 0.039 -15.631 93.240 1.00 0.00 O ATOM 217 CB ASP A 14 -1.317 -13.891 94.885 1.00 0.00 C ATOM 218 CG ASP A 14 -1.569 -12.489 95.461 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.688 -11.651 95.355 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.643 -12.280 96.001 1.00 0.00 O ATOM 0 H ASP A 14 0.737 -12.401 95.076 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.089 -14.914 96.265 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.379 -13.860 93.797 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.092 -14.576 95.229 1.00 0.00 H new ATOM 225 N LEU A 15 1.802 -15.780 94.533 1.00 0.00 N ATOM 226 CA LEU A 15 2.533 -16.662 93.622 1.00 0.00 C ATOM 227 C LEU A 15 1.639 -17.840 93.220 1.00 0.00 C ATOM 228 O LEU A 15 1.770 -18.420 92.165 1.00 0.00 O ATOM 229 CB LEU A 15 3.799 -17.089 94.371 1.00 0.00 C ATOM 230 CG LEU A 15 4.676 -18.032 93.541 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.081 -19.454 93.513 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.832 -17.474 92.115 1.00 0.00 C ATOM 0 H LEU A 15 2.309 -15.549 95.387 1.00 0.00 H new ATOM 0 HA LEU A 15 2.815 -16.173 92.689 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.375 -16.204 94.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.519 -17.582 95.302 1.00 0.00 H new ATOM 0 HG LEU A 15 5.661 -18.096 94.004 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.721 -20.105 92.918 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.015 -19.841 94.530 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.085 -19.423 93.072 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.456 -18.147 91.527 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.851 -17.389 91.648 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.300 -16.490 92.158 1.00 0.00 H new ATOM 244 N ASP A 16 0.712 -18.168 94.049 1.00 0.00 N ATOM 245 CA ASP A 16 -0.227 -19.272 93.744 1.00 0.00 C ATOM 246 C ASP A 16 -1.111 -18.911 92.532 1.00 0.00 C ATOM 247 O ASP A 16 -1.513 -19.772 91.771 1.00 0.00 O ATOM 248 CB ASP A 16 -1.117 -19.492 94.961 1.00 0.00 C ATOM 249 CG ASP A 16 -0.287 -20.077 96.103 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.143 -21.211 95.974 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.091 -19.378 97.083 1.00 0.00 O ATOM 0 H ASP A 16 0.556 -17.711 94.948 1.00 0.00 H new ATOM 0 HA ASP A 16 0.338 -20.174 93.507 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.567 -18.549 95.271 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.935 -20.167 94.709 1.00 0.00 H new ATOM 256 N GLU A 17 -1.438 -17.651 92.364 1.00 0.00 N ATOM 257 CA GLU A 17 -2.324 -17.242 91.219 1.00 0.00 C ATOM 258 C GLU A 17 -1.525 -17.207 89.904 1.00 0.00 C ATOM 259 O GLU A 17 -1.968 -17.712 88.888 1.00 0.00 O ATOM 260 CB GLU A 17 -2.923 -15.849 91.509 1.00 0.00 C ATOM 261 CG GLU A 17 -4.258 -15.990 92.258 1.00 0.00 C ATOM 262 CD GLU A 17 -4.614 -14.667 92.944 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.664 -13.661 92.256 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.829 -14.683 94.145 1.00 0.00 O ATOM 0 H GLU A 17 -1.132 -16.887 92.967 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.128 -17.971 91.113 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.224 -15.261 92.104 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.077 -15.310 90.574 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.048 -16.272 91.562 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.187 -16.786 92.999 1.00 0.00 H new ATOM 271 N VAL A 18 -0.353 -16.637 89.908 1.00 0.00 N ATOM 272 CA VAL A 18 0.455 -16.607 88.651 1.00 0.00 C ATOM 273 C VAL A 18 0.816 -18.057 88.333 1.00 0.00 C ATOM 274 O VAL A 18 0.969 -18.442 87.191 1.00 0.00 O ATOM 275 CB VAL A 18 1.768 -15.795 88.870 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.696 -14.372 88.280 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.057 -15.694 90.363 1.00 0.00 C ATOM 0 H VAL A 18 0.080 -16.193 90.718 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.107 -16.138 87.843 1.00 0.00 H new ATOM 0 HB VAL A 18 2.564 -16.328 88.350 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.638 -13.854 88.463 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.517 -14.432 87.206 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.882 -13.823 88.753 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.975 -15.127 90.518 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.229 -15.189 90.860 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.174 -16.694 90.779 1.00 0.00 H new ATOM 287 N LYS A 19 0.961 -18.859 89.349 1.00 0.00 N ATOM 288 CA LYS A 19 1.317 -20.277 89.139 1.00 0.00 C ATOM 289 C LYS A 19 0.246 -20.943 88.280 1.00 0.00 C ATOM 290 O LYS A 19 0.504 -21.892 87.565 1.00 0.00 O ATOM 291 CB LYS A 19 1.435 -20.950 90.511 1.00 0.00 C ATOM 292 CG LYS A 19 1.812 -22.437 90.391 1.00 0.00 C ATOM 293 CD LYS A 19 3.298 -22.609 90.020 1.00 0.00 C ATOM 294 CE LYS A 19 4.222 -22.025 91.103 1.00 0.00 C ATOM 295 NZ LYS A 19 3.571 -22.133 92.439 1.00 0.00 N ATOM 0 H LYS A 19 0.846 -18.584 90.324 1.00 0.00 H new ATOM 0 HA LYS A 19 2.269 -20.370 88.617 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.187 -20.432 91.106 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.488 -20.857 91.043 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.610 -22.943 91.335 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.188 -22.913 89.634 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.520 -23.667 89.884 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.496 -22.117 89.068 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.173 -22.558 91.108 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.443 -20.981 90.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.280 -21.979 93.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.823 -21.415 92.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.155 -23.080 92.547 1.00 0.00 H new ATOM 309 N ASP A 20 -0.949 -20.446 88.338 1.00 0.00 N ATOM 310 CA ASP A 20 -2.040 -21.033 87.522 1.00 0.00 C ATOM 311 C ASP A 20 -1.822 -20.693 86.045 1.00 0.00 C ATOM 312 O ASP A 20 -2.048 -21.502 85.166 1.00 0.00 O ATOM 313 CB ASP A 20 -3.380 -20.459 87.981 1.00 0.00 C ATOM 314 CG ASP A 20 -4.521 -21.221 87.306 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.959 -22.212 87.868 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.939 -20.798 86.239 1.00 0.00 O ATOM 0 H ASP A 20 -1.221 -19.653 88.919 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.041 -22.116 87.646 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.468 -20.536 89.065 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.438 -19.400 87.731 1.00 0.00 H new ATOM 321 N TYR A 21 -1.399 -19.493 85.765 1.00 0.00 N ATOM 322 CA TYR A 21 -1.184 -19.091 84.346 1.00 0.00 C ATOM 323 C TYR A 21 -0.091 -19.957 83.695 1.00 0.00 C ATOM 324 O TYR A 21 -0.324 -20.606 82.696 1.00 0.00 O ATOM 325 CB TYR A 21 -0.776 -17.606 84.300 1.00 0.00 C ATOM 326 CG TYR A 21 -2.015 -16.730 84.286 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.783 -16.579 85.447 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.394 -16.076 83.107 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.928 -15.776 85.430 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.540 -15.272 83.090 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.307 -15.121 84.252 1.00 0.00 C ATOM 332 OH TYR A 21 -5.440 -14.330 84.239 1.00 0.00 O ATOM 0 H TYR A 21 -1.193 -18.772 86.457 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.110 -19.237 83.790 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.158 -17.363 85.164 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.173 -17.413 83.413 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.491 -17.083 86.356 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.802 -16.192 82.211 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.520 -15.661 86.326 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.833 -14.768 82.181 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.561 -13.947 83.345 1.00 0.00 H new ATOM 342 N VAL A 22 1.102 -19.958 84.226 1.00 0.00 N ATOM 343 CA VAL A 22 2.193 -20.767 83.599 1.00 0.00 C ATOM 344 C VAL A 22 1.861 -22.256 83.717 1.00 0.00 C ATOM 345 O VAL A 22 2.297 -23.058 82.916 1.00 0.00 O ATOM 346 CB VAL A 22 3.551 -20.419 84.283 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.353 -21.661 84.722 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.423 -19.628 83.325 1.00 0.00 C ATOM 0 H VAL A 22 1.370 -19.438 85.062 1.00 0.00 H new ATOM 0 HA VAL A 22 2.279 -20.530 82.539 1.00 0.00 H new ATOM 0 HB VAL A 22 3.297 -19.844 85.173 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.286 -21.345 85.190 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.766 -22.239 85.436 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.575 -22.278 83.851 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.370 -19.388 83.809 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.612 -20.222 82.431 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.914 -18.705 83.047 1.00 0.00 H new ATOM 358 N ALA A 23 1.099 -22.635 84.701 1.00 0.00 N ATOM 359 CA ALA A 23 0.761 -24.077 84.846 1.00 0.00 C ATOM 360 C ALA A 23 0.203 -24.567 83.519 1.00 0.00 C ATOM 361 O ALA A 23 0.354 -25.712 83.143 1.00 0.00 O ATOM 362 CB ALA A 23 -0.291 -24.249 85.936 1.00 0.00 C ATOM 0 H ALA A 23 0.698 -22.016 85.406 1.00 0.00 H new ATOM 0 HA ALA A 23 1.648 -24.648 85.119 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.537 -25.306 86.041 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.099 -23.872 86.881 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.189 -23.692 85.666 1.00 0.00 H new ATOM 368 N LYS A 24 -0.416 -23.684 82.795 1.00 0.00 N ATOM 369 CA LYS A 24 -0.963 -24.064 81.470 1.00 0.00 C ATOM 370 C LYS A 24 0.187 -24.598 80.625 1.00 0.00 C ATOM 371 O LYS A 24 0.449 -25.784 80.587 1.00 0.00 O ATOM 372 CB LYS A 24 -1.571 -22.831 80.788 1.00 0.00 C ATOM 373 CG LYS A 24 -2.938 -22.497 81.418 1.00 0.00 C ATOM 374 CD LYS A 24 -4.052 -23.284 80.701 1.00 0.00 C ATOM 375 CE LYS A 24 -5.275 -23.425 81.617 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.480 -23.753 80.802 1.00 0.00 N ATOM 0 H LYS A 24 -0.567 -22.712 83.065 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.739 -24.821 81.583 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.897 -21.980 80.890 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.690 -23.018 79.721 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.930 -22.746 82.479 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.131 -21.427 81.343 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.335 -22.772 79.781 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.685 -24.270 80.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.100 -24.207 82.355 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.438 -22.498 82.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.306 -23.848 81.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.651 -22.992 80.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.324 -24.648 80.296 1.00 0.00 H new ATOM 390 N GLY A 25 0.892 -23.729 79.962 1.00 0.00 N ATOM 391 CA GLY A 25 2.042 -24.179 79.137 1.00 0.00 C ATOM 392 C GLY A 25 2.897 -22.979 78.719 1.00 0.00 C ATOM 393 O GLY A 25 2.606 -22.309 77.751 1.00 0.00 O ATOM 0 H GLY A 25 0.721 -22.724 79.956 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.648 -24.887 79.701 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.681 -24.703 78.252 1.00 0.00 H new ATOM 397 N GLU A 26 3.952 -22.728 79.453 1.00 0.00 N ATOM 398 CA GLU A 26 4.881 -21.589 79.146 1.00 0.00 C ATOM 399 C GLU A 26 4.139 -20.390 78.547 1.00 0.00 C ATOM 400 O GLU A 26 3.828 -20.352 77.374 1.00 0.00 O ATOM 401 CB GLU A 26 5.996 -22.046 78.190 1.00 0.00 C ATOM 402 CG GLU A 26 5.431 -23.010 77.145 1.00 0.00 C ATOM 403 CD GLU A 26 6.528 -23.388 76.149 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.663 -23.005 76.372 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.214 -24.060 75.181 1.00 0.00 O ATOM 0 H GLU A 26 4.217 -23.276 80.272 1.00 0.00 H new ATOM 0 HA GLU A 26 5.323 -21.270 80.090 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.439 -21.181 77.696 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.791 -22.534 78.753 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.044 -23.905 77.633 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.595 -22.546 76.622 1.00 0.00 H new ATOM 412 N ASP A 27 3.891 -19.395 79.348 1.00 0.00 N ATOM 413 CA ASP A 27 3.209 -18.164 78.862 1.00 0.00 C ATOM 414 C ASP A 27 3.822 -16.991 79.620 1.00 0.00 C ATOM 415 O ASP A 27 3.129 -16.179 80.201 1.00 0.00 O ATOM 416 CB ASP A 27 1.711 -18.252 79.165 1.00 0.00 C ATOM 417 CG ASP A 27 1.090 -19.397 78.362 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.459 -19.554 77.211 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.254 -20.095 78.910 1.00 0.00 O ATOM 0 H ASP A 27 4.136 -19.382 80.338 1.00 0.00 H new ATOM 0 HA ASP A 27 3.334 -18.043 77.786 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.555 -18.416 80.231 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.223 -17.311 78.912 1.00 0.00 H new ATOM 424 N VAL A 28 5.136 -16.938 79.658 1.00 0.00 N ATOM 425 CA VAL A 28 5.841 -15.863 80.421 1.00 0.00 C ATOM 426 C VAL A 28 6.455 -14.817 79.493 1.00 0.00 C ATOM 427 O VAL A 28 7.622 -14.492 79.569 1.00 0.00 O ATOM 428 CB VAL A 28 6.895 -16.521 81.306 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.182 -17.541 82.184 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.952 -17.268 80.484 1.00 0.00 C ATOM 0 H VAL A 28 5.752 -17.601 79.188 1.00 0.00 H new ATOM 0 HA VAL A 28 5.124 -15.326 81.042 1.00 0.00 H new ATOM 0 HB VAL A 28 7.397 -15.745 81.883 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.907 -18.033 82.832 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.433 -17.036 82.794 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.694 -18.285 81.554 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.682 -17.721 81.155 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.470 -18.047 79.893 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.457 -16.568 79.818 1.00 0.00 H new ATOM 440 N ASN A 29 5.654 -14.265 78.640 1.00 0.00 N ATOM 441 CA ASN A 29 6.147 -13.221 77.714 1.00 0.00 C ATOM 442 C ASN A 29 4.946 -12.609 76.987 1.00 0.00 C ATOM 443 O ASN A 29 4.978 -12.371 75.796 1.00 0.00 O ATOM 444 CB ASN A 29 7.105 -13.854 76.705 1.00 0.00 C ATOM 445 CG ASN A 29 6.598 -15.238 76.305 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.035 -15.408 75.242 1.00 0.00 O ATOM 447 ND2 ASN A 29 6.775 -16.240 77.118 1.00 0.00 N ATOM 0 H ASN A 29 4.665 -14.495 78.542 1.00 0.00 H new ATOM 0 HA ASN A 29 6.677 -12.443 78.264 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.190 -13.219 75.823 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.102 -13.933 77.138 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.441 -17.169 76.863 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.248 -16.096 78.010 1.00 0.00 H new ATOM 454 N ARG A 30 3.890 -12.345 77.717 1.00 0.00 N ATOM 455 CA ARG A 30 2.667 -11.738 77.117 1.00 0.00 C ATOM 456 C ARG A 30 2.540 -10.309 77.624 1.00 0.00 C ATOM 457 O ARG A 30 2.766 -10.040 78.786 1.00 0.00 O ATOM 458 CB ARG A 30 1.428 -12.523 77.552 1.00 0.00 C ATOM 459 CG ARG A 30 1.577 -14.002 77.180 1.00 0.00 C ATOM 460 CD ARG A 30 0.234 -14.713 77.380 1.00 0.00 C ATOM 461 NE ARG A 30 0.299 -16.084 76.800 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.619 -16.960 77.102 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.587 -16.643 77.918 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.569 -18.158 76.593 1.00 0.00 N ATOM 0 H ARG A 30 3.826 -12.528 78.718 1.00 0.00 H new ATOM 0 HA ARG A 30 2.745 -11.758 76.030 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.286 -12.424 78.628 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.540 -12.109 77.074 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.901 -14.097 76.144 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.344 -14.469 77.798 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.004 -14.768 78.442 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.564 -14.144 76.903 1.00 0.00 H new ATOM 0 HE ARG A 30 1.059 -16.337 76.169 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.628 -15.707 78.322 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.303 -17.331 78.152 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.188 -18.411 75.958 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.287 -18.843 76.829 1.00 0.00 H new ATOM 478 N THR A 31 2.169 -9.391 76.791 1.00 0.00 N ATOM 479 CA THR A 31 2.028 -8.002 77.289 1.00 0.00 C ATOM 480 C THR A 31 1.022 -8.007 78.444 1.00 0.00 C ATOM 481 O THR A 31 -0.114 -8.415 78.309 1.00 0.00 O ATOM 482 CB THR A 31 1.569 -7.071 76.160 1.00 0.00 C ATOM 483 OG1 THR A 31 2.131 -7.514 74.932 1.00 0.00 O ATOM 484 CG2 THR A 31 2.047 -5.648 76.456 1.00 0.00 C ATOM 0 H THR A 31 1.960 -9.535 75.803 1.00 0.00 H new ATOM 0 HA THR A 31 2.989 -7.630 77.644 1.00 0.00 H new ATOM 0 HB THR A 31 0.481 -7.083 76.089 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.839 -6.923 74.207 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.723 -4.982 75.656 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.624 -5.311 77.402 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.135 -5.636 76.520 1.00 0.00 H new ATOM 492 N LEU A 32 1.468 -7.587 79.583 1.00 0.00 N ATOM 493 CA LEU A 32 0.625 -7.574 80.803 1.00 0.00 C ATOM 494 C LEU A 32 -0.561 -6.599 80.669 1.00 0.00 C ATOM 495 O LEU A 32 -1.634 -6.985 80.250 1.00 0.00 O ATOM 496 CB LEU A 32 1.550 -7.174 81.953 1.00 0.00 C ATOM 497 CG LEU A 32 0.916 -7.467 83.332 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.030 -7.744 84.362 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.066 -6.272 83.794 1.00 0.00 C ATOM 0 H LEU A 32 2.416 -7.239 79.726 1.00 0.00 H new ATOM 0 HA LEU A 32 0.179 -8.553 80.977 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.493 -7.714 81.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.783 -6.112 81.879 1.00 0.00 H new ATOM 0 HG LEU A 32 0.272 -8.342 83.247 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.583 -7.951 85.335 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.616 -8.605 84.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.679 -6.872 84.439 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.374 -6.493 84.766 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.696 -5.386 83.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.728 -6.088 83.070 1.00 0.00 H new ATOM 511 N GLU A 33 -0.401 -5.353 81.046 1.00 0.00 N ATOM 512 CA GLU A 33 -1.551 -4.397 80.960 1.00 0.00 C ATOM 513 C GLU A 33 -1.724 -3.864 79.533 1.00 0.00 C ATOM 514 O GLU A 33 -2.817 -3.841 79.005 1.00 0.00 O ATOM 515 CB GLU A 33 -1.327 -3.230 81.934 1.00 0.00 C ATOM 516 CG GLU A 33 -0.266 -2.270 81.387 1.00 0.00 C ATOM 517 CD GLU A 33 0.180 -1.320 82.500 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.714 -1.803 83.485 1.00 0.00 O ATOM 519 OE2 GLU A 33 -0.026 -0.125 82.351 1.00 0.00 O ATOM 0 H GLU A 33 0.468 -4.959 81.407 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.462 -4.930 81.232 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.264 -2.695 82.091 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.013 -3.614 82.905 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.588 -2.831 81.009 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.671 -1.702 80.549 1.00 0.00 H new ATOM 526 N GLY A 34 -0.670 -3.423 78.905 1.00 0.00 N ATOM 527 CA GLY A 34 -0.811 -2.884 77.521 1.00 0.00 C ATOM 528 C GLY A 34 0.560 -2.784 76.868 1.00 0.00 C ATOM 529 O GLY A 34 0.693 -2.747 75.660 1.00 0.00 O ATOM 0 H GLY A 34 0.276 -3.412 79.285 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.459 -3.533 76.932 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.284 -1.902 77.549 1.00 0.00 H new ATOM 533 N GLY A 35 1.576 -2.735 77.667 1.00 0.00 N ATOM 534 CA GLY A 35 2.961 -2.633 77.136 1.00 0.00 C ATOM 535 C GLY A 35 3.926 -3.056 78.236 1.00 0.00 C ATOM 536 O GLY A 35 5.095 -2.726 78.210 1.00 0.00 O ATOM 0 H GLY A 35 1.509 -2.761 78.684 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.080 -3.271 76.260 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.172 -1.612 76.818 1.00 0.00 H new ATOM 540 N ARG A 36 3.432 -3.766 79.227 1.00 0.00 N ATOM 541 CA ARG A 36 4.296 -4.193 80.367 1.00 0.00 C ATOM 542 C ARG A 36 4.331 -5.721 80.457 1.00 0.00 C ATOM 543 O ARG A 36 3.386 -6.392 80.124 1.00 0.00 O ATOM 544 CB ARG A 36 3.733 -3.599 81.667 1.00 0.00 C ATOM 545 CG ARG A 36 3.503 -2.079 81.510 1.00 0.00 C ATOM 546 CD ARG A 36 4.812 -1.323 81.754 1.00 0.00 C ATOM 547 NE ARG A 36 4.677 0.093 81.310 1.00 0.00 N ATOM 548 CZ ARG A 36 5.563 0.972 81.689 1.00 0.00 C ATOM 549 NH1 ARG A 36 6.547 0.605 82.465 1.00 0.00 N ATOM 550 NH2 ARG A 36 5.467 2.215 81.290 1.00 0.00 N ATOM 0 H ARG A 36 2.460 -4.068 79.291 1.00 0.00 H new ATOM 0 HA ARG A 36 5.313 -3.834 80.211 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.794 -4.091 81.922 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.424 -3.786 82.489 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.129 -1.861 80.510 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.743 -1.743 82.215 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.069 -1.357 82.813 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.626 -1.806 81.213 1.00 0.00 H new ATOM 0 HE ARG A 36 3.898 0.373 80.714 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.620 -0.365 82.772 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.243 1.288 82.764 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.698 2.497 80.682 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.161 2.901 81.587 1.00 0.00 H new ATOM 564 N LYS A 37 5.434 -6.263 80.897 1.00 0.00 N ATOM 565 CA LYS A 37 5.585 -7.755 81.012 1.00 0.00 C ATOM 566 C LYS A 37 5.398 -8.171 82.500 1.00 0.00 C ATOM 567 O LYS A 37 5.176 -7.316 83.326 1.00 0.00 O ATOM 568 CB LYS A 37 6.972 -8.122 80.458 1.00 0.00 C ATOM 569 CG LYS A 37 8.062 -7.848 81.492 1.00 0.00 C ATOM 570 CD LYS A 37 7.977 -6.393 81.947 1.00 0.00 C ATOM 571 CE LYS A 37 9.237 -6.008 82.729 1.00 0.00 C ATOM 572 NZ LYS A 37 9.382 -4.527 82.729 1.00 0.00 N ATOM 0 H LYS A 37 6.254 -5.731 81.188 1.00 0.00 H new ATOM 0 HA LYS A 37 4.831 -8.293 80.437 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.989 -9.175 80.177 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.170 -7.547 79.553 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.944 -8.515 82.346 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.044 -8.050 81.063 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.864 -5.740 81.082 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.095 -6.251 82.571 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.172 -6.379 83.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.115 -6.471 82.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.132 -4.252 83.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.631 -4.203 81.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.484 -4.090 83.020 1.00 0.00 H new ATOM 586 N PRO A 38 5.437 -9.464 82.816 1.00 0.00 N ATOM 587 CA PRO A 38 5.195 -9.917 84.211 1.00 0.00 C ATOM 588 C PRO A 38 6.488 -10.008 85.072 1.00 0.00 C ATOM 589 O PRO A 38 6.543 -10.814 85.981 1.00 0.00 O ATOM 590 CB PRO A 38 4.621 -11.346 83.999 1.00 0.00 C ATOM 591 CG PRO A 38 5.023 -11.794 82.563 1.00 0.00 C ATOM 592 CD PRO A 38 5.657 -10.570 81.864 1.00 0.00 C ATOM 0 HA PRO A 38 4.550 -9.222 84.749 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.020 -12.035 84.743 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.537 -11.346 84.113 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.729 -12.623 82.602 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.151 -12.144 82.011 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.718 -10.726 81.671 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.184 -10.370 80.903 1.00 0.00 H new ATOM 600 N LEU A 39 7.505 -9.190 84.851 1.00 0.00 N ATOM 601 CA LEU A 39 8.743 -9.276 85.707 1.00 0.00 C ATOM 602 C LEU A 39 8.914 -7.992 86.527 1.00 0.00 C ATOM 603 O LEU A 39 9.501 -7.998 87.589 1.00 0.00 O ATOM 604 CB LEU A 39 9.966 -9.448 84.797 1.00 0.00 C ATOM 605 CG LEU A 39 11.260 -9.883 85.558 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.992 -10.697 86.831 1.00 0.00 C ATOM 607 CD2 LEU A 39 12.106 -10.742 84.621 1.00 0.00 C ATOM 0 H LEU A 39 7.529 -8.476 84.123 1.00 0.00 H new ATOM 0 HA LEU A 39 8.648 -10.124 86.385 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.738 -10.191 84.033 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.158 -8.508 84.280 1.00 0.00 H new ATOM 0 HG LEU A 39 11.765 -8.966 85.863 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.940 -10.960 87.301 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.396 -10.103 87.524 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.450 -11.607 86.574 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.014 -11.055 85.135 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.537 -11.622 84.321 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.371 -10.163 83.737 1.00 0.00 H new ATOM 619 N HIS A 40 8.407 -6.891 86.055 1.00 0.00 N ATOM 620 CA HIS A 40 8.576 -5.628 86.826 1.00 0.00 C ATOM 621 C HIS A 40 7.704 -5.693 88.079 1.00 0.00 C ATOM 622 O HIS A 40 8.119 -5.309 89.154 1.00 0.00 O ATOM 623 CB HIS A 40 8.141 -4.441 85.968 1.00 0.00 C ATOM 624 CG HIS A 40 8.298 -3.177 86.765 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.490 -2.472 86.812 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.423 -2.488 87.567 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.303 -1.410 87.620 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.059 -1.372 88.105 1.00 0.00 N ATOM 0 H HIS A 40 7.889 -6.808 85.180 1.00 0.00 H new ATOM 0 HA HIS A 40 9.622 -5.505 87.106 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.744 -4.391 85.061 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.104 -4.563 85.655 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.397 -2.769 87.753 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.065 -0.679 87.847 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.660 -0.675 88.734 1.00 0.00 H new ATOM 636 N TYR A 41 6.510 -6.191 87.949 1.00 0.00 N ATOM 637 CA TYR A 41 5.610 -6.301 89.127 1.00 0.00 C ATOM 638 C TYR A 41 6.163 -7.376 90.052 1.00 0.00 C ATOM 639 O TYR A 41 6.197 -7.223 91.258 1.00 0.00 O ATOM 640 CB TYR A 41 4.214 -6.684 88.651 1.00 0.00 C ATOM 641 CG TYR A 41 3.836 -5.766 87.528 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.354 -5.989 86.250 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.983 -4.684 87.763 1.00 0.00 C ATOM 644 CE1 TYR A 41 4.020 -5.129 85.205 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.646 -3.822 86.716 1.00 0.00 C ATOM 646 CZ TYR A 41 3.165 -4.042 85.435 1.00 0.00 C ATOM 647 OH TYR A 41 2.835 -3.189 84.399 1.00 0.00 O ATOM 0 H TYR A 41 6.115 -6.529 87.071 1.00 0.00 H new ATOM 0 HA TYR A 41 5.554 -5.352 89.661 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.197 -7.721 88.317 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.497 -6.601 89.468 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.012 -6.826 86.072 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.585 -4.514 88.752 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.420 -5.300 84.217 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.985 -2.987 86.895 1.00 0.00 H new ATOM 0 HH TYR A 41 1.900 -2.911 84.490 1.00 0.00 H new ATOM 657 N ALA A 42 6.632 -8.454 89.492 1.00 0.00 N ATOM 658 CA ALA A 42 7.221 -9.522 90.329 1.00 0.00 C ATOM 659 C ALA A 42 8.511 -8.956 90.920 1.00 0.00 C ATOM 660 O ALA A 42 8.668 -8.834 92.111 1.00 0.00 O ATOM 661 CB ALA A 42 7.515 -10.747 89.445 1.00 0.00 C ATOM 0 H ALA A 42 6.631 -8.638 88.489 1.00 0.00 H new ATOM 0 HA ALA A 42 6.547 -9.836 91.126 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.950 -11.539 90.054 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.588 -11.102 88.995 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.216 -10.468 88.658 1.00 0.00 H new ATOM 667 N ALA A 43 9.431 -8.598 90.087 1.00 0.00 N ATOM 668 CA ALA A 43 10.708 -8.022 90.575 1.00 0.00 C ATOM 669 C ALA A 43 10.434 -6.877 91.564 1.00 0.00 C ATOM 670 O ALA A 43 10.822 -6.926 92.715 1.00 0.00 O ATOM 671 CB ALA A 43 11.464 -7.463 89.370 1.00 0.00 C ATOM 0 H ALA A 43 9.356 -8.679 89.073 1.00 0.00 H new ATOM 0 HA ALA A 43 11.289 -8.793 91.081 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.409 -7.032 89.701 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.660 -8.266 88.659 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.863 -6.692 88.889 1.00 0.00 H new ATOM 677 N ASP A 44 9.794 -5.838 91.106 1.00 0.00 N ATOM 678 CA ASP A 44 9.516 -4.655 91.978 1.00 0.00 C ATOM 679 C ASP A 44 8.697 -5.017 93.230 1.00 0.00 C ATOM 680 O ASP A 44 8.810 -4.360 94.243 1.00 0.00 O ATOM 681 CB ASP A 44 8.755 -3.605 91.166 1.00 0.00 C ATOM 682 CG ASP A 44 8.758 -2.277 91.922 1.00 0.00 C ATOM 683 OD1 ASP A 44 9.776 -1.957 92.513 1.00 0.00 O ATOM 684 OD2 ASP A 44 7.742 -1.602 91.899 1.00 0.00 O ATOM 0 H ASP A 44 9.445 -5.754 90.151 1.00 0.00 H new ATOM 0 HA ASP A 44 10.476 -4.268 92.320 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.219 -3.480 90.188 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.731 -3.935 90.993 1.00 0.00 H new ATOM 689 N CYS A 45 7.875 -6.033 93.182 1.00 0.00 N ATOM 690 CA CYS A 45 7.057 -6.384 94.392 1.00 0.00 C ATOM 691 C CYS A 45 6.563 -7.825 94.277 1.00 0.00 C ATOM 692 O CYS A 45 5.375 -8.084 94.295 1.00 0.00 O ATOM 693 CB CYS A 45 5.832 -5.467 94.466 1.00 0.00 C ATOM 694 SG CYS A 45 6.321 -3.801 94.981 1.00 0.00 S ATOM 0 H CYS A 45 7.732 -6.632 92.369 1.00 0.00 H new ATOM 0 HA CYS A 45 7.675 -6.265 95.282 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.342 -5.425 93.493 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.107 -5.874 95.171 1.00 0.00 H new ATOM 0 HG CYS A 45 7.580 -3.616 94.714 1.00 0.00 H new ATOM 700 N GLY A 46 7.464 -8.758 94.146 1.00 0.00 N ATOM 701 CA GLY A 46 7.068 -10.198 94.015 1.00 0.00 C ATOM 702 C GLY A 46 7.525 -10.988 95.242 1.00 0.00 C ATOM 703 O GLY A 46 7.688 -12.190 95.180 1.00 0.00 O ATOM 0 H GLY A 46 8.469 -8.588 94.123 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.986 -10.276 93.906 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.511 -10.623 93.114 1.00 0.00 H new ATOM 707 N GLN A 47 7.769 -10.336 96.348 1.00 0.00 N ATOM 708 CA GLN A 47 8.252 -11.082 97.545 1.00 0.00 C ATOM 709 C GLN A 47 9.500 -11.867 97.128 1.00 0.00 C ATOM 710 O GLN A 47 9.970 -12.743 97.823 1.00 0.00 O ATOM 711 CB GLN A 47 7.159 -12.029 98.057 1.00 0.00 C ATOM 712 CG GLN A 47 5.846 -11.265 98.255 1.00 0.00 C ATOM 713 CD GLN A 47 6.078 -9.987 99.062 1.00 0.00 C ATOM 714 OE1 GLN A 47 6.874 -9.966 99.980 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.408 -8.909 98.750 1.00 0.00 N ATOM 0 H GLN A 47 7.656 -9.330 96.473 1.00 0.00 H new ATOM 0 HA GLN A 47 8.495 -10.394 98.355 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.011 -12.843 97.347 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.471 -12.480 98.999 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.416 -11.015 97.285 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.125 -11.900 98.770 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.740 -8.929 97.979 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.553 -8.048 99.277 1.00 0.00 H new ATOM 724 N LEU A 48 10.033 -11.496 95.991 1.00 0.00 N ATOM 725 CA LEU A 48 11.279 -12.103 95.432 1.00 0.00 C ATOM 726 C LEU A 48 11.127 -13.589 95.097 1.00 0.00 C ATOM 727 O LEU A 48 12.070 -14.244 94.695 1.00 0.00 O ATOM 728 CB LEU A 48 12.431 -11.885 96.405 1.00 0.00 C ATOM 729 CG LEU A 48 12.857 -10.374 96.510 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.151 -9.433 95.495 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.567 -9.863 97.922 1.00 0.00 C ATOM 0 H LEU A 48 9.636 -10.764 95.402 1.00 0.00 H new ATOM 0 HA LEU A 48 11.490 -11.602 94.487 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.142 -12.246 97.392 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.288 -12.479 96.087 1.00 0.00 H new ATOM 0 HG LEU A 48 13.921 -10.350 96.274 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.504 -8.412 95.639 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.379 -9.756 94.479 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.073 -9.470 95.654 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.861 -8.816 97.998 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.501 -9.956 98.131 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.132 -10.452 98.645 1.00 0.00 H new ATOM 743 N GLU A 49 9.955 -14.112 95.208 1.00 0.00 N ATOM 744 CA GLU A 49 9.713 -15.540 94.847 1.00 0.00 C ATOM 745 C GLU A 49 9.085 -15.571 93.457 1.00 0.00 C ATOM 746 O GLU A 49 9.359 -16.435 92.649 1.00 0.00 O ATOM 747 CB GLU A 49 8.762 -16.183 95.869 1.00 0.00 C ATOM 748 CG GLU A 49 7.917 -15.096 96.525 1.00 0.00 C ATOM 749 CD GLU A 49 6.842 -15.732 97.410 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.100 -16.798 97.948 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.784 -15.138 97.540 1.00 0.00 O ATOM 0 H GLU A 49 9.131 -13.610 95.539 1.00 0.00 H new ATOM 0 HA GLU A 49 10.649 -16.098 94.852 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.119 -16.912 95.376 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.333 -16.722 96.625 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.552 -14.442 97.123 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.450 -14.476 95.760 1.00 0.00 H new ATOM 758 N ILE A 50 8.220 -14.636 93.197 1.00 0.00 N ATOM 759 CA ILE A 50 7.527 -14.587 91.888 1.00 0.00 C ATOM 760 C ILE A 50 8.501 -14.325 90.745 1.00 0.00 C ATOM 761 O ILE A 50 8.406 -14.931 89.708 1.00 0.00 O ATOM 762 CB ILE A 50 6.456 -13.491 91.930 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.554 -13.684 93.213 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.661 -13.557 90.626 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.022 -13.627 92.944 1.00 0.00 C ATOM 0 H ILE A 50 7.961 -13.894 93.847 1.00 0.00 H new ATOM 0 HA ILE A 50 7.064 -15.557 91.705 1.00 0.00 H new ATOM 0 HB ILE A 50 6.899 -12.498 92.007 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.794 -14.645 93.668 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.811 -12.914 93.940 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.891 -12.786 90.630 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.332 -13.395 89.782 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.193 -14.537 90.535 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.483 -13.769 93.880 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.763 -12.657 92.520 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.746 -14.415 92.243 1.00 0.00 H new ATOM 777 N LEU A 51 9.418 -13.427 90.886 1.00 0.00 N ATOM 778 CA LEU A 51 10.324 -13.176 89.740 1.00 0.00 C ATOM 779 C LEU A 51 10.986 -14.499 89.326 1.00 0.00 C ATOM 780 O LEU A 51 10.940 -14.886 88.182 1.00 0.00 O ATOM 781 CB LEU A 51 11.389 -12.079 90.021 1.00 0.00 C ATOM 782 CG LEU A 51 11.615 -11.792 91.510 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.331 -11.277 92.198 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.159 -13.045 92.198 1.00 0.00 C ATOM 0 H LEU A 51 9.582 -12.865 91.722 1.00 0.00 H new ATOM 0 HA LEU A 51 9.720 -12.787 88.921 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.335 -12.383 89.573 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.084 -11.157 89.527 1.00 0.00 H new ATOM 0 HG LEU A 51 12.353 -10.995 91.600 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.534 -11.086 93.252 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.006 -10.354 91.718 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.545 -12.027 92.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.319 -12.839 93.256 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.442 -13.859 92.091 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.104 -13.332 91.737 1.00 0.00 H new ATOM 796 N GLU A 52 11.593 -15.196 90.236 1.00 0.00 N ATOM 797 CA GLU A 52 12.240 -16.489 89.860 1.00 0.00 C ATOM 798 C GLU A 52 11.245 -17.388 89.105 1.00 0.00 C ATOM 799 O GLU A 52 11.626 -18.202 88.287 1.00 0.00 O ATOM 800 CB GLU A 52 12.687 -17.249 91.118 1.00 0.00 C ATOM 801 CG GLU A 52 13.364 -16.321 92.117 1.00 0.00 C ATOM 802 CD GLU A 52 13.863 -17.158 93.293 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.493 -18.173 93.046 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.608 -16.770 94.420 1.00 0.00 O ATOM 0 H GLU A 52 11.673 -14.935 91.219 1.00 0.00 H new ATOM 0 HA GLU A 52 13.098 -16.257 89.229 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.823 -17.721 91.586 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.374 -18.047 90.838 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.195 -15.797 91.645 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.664 -15.561 92.463 1.00 0.00 H new ATOM 811 N PHE A 53 9.980 -17.281 89.417 1.00 0.00 N ATOM 812 CA PHE A 53 8.958 -18.161 88.777 1.00 0.00 C ATOM 813 C PHE A 53 8.860 -17.945 87.266 1.00 0.00 C ATOM 814 O PHE A 53 9.447 -18.666 86.491 1.00 0.00 O ATOM 815 CB PHE A 53 7.599 -17.897 89.424 1.00 0.00 C ATOM 816 CG PHE A 53 6.546 -18.746 88.770 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.628 -20.138 88.843 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.478 -18.138 88.098 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.645 -20.922 88.245 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.498 -18.921 87.500 1.00 0.00 C ATOM 821 CZ PHE A 53 4.582 -20.313 87.575 1.00 0.00 C ATOM 0 H PHE A 53 9.608 -16.615 90.094 1.00 0.00 H new ATOM 0 HA PHE A 53 9.266 -19.195 88.932 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.645 -18.118 90.490 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.340 -16.843 89.328 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.452 -20.605 89.362 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.416 -17.061 88.045 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.705 -21.999 88.299 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.675 -18.455 86.979 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.820 -20.922 87.112 1.00 0.00 H new ATOM 831 N LEU A 54 8.080 -17.003 86.838 1.00 0.00 N ATOM 832 CA LEU A 54 7.902 -16.797 85.377 1.00 0.00 C ATOM 833 C LEU A 54 9.247 -16.621 84.656 1.00 0.00 C ATOM 834 O LEU A 54 9.315 -16.620 83.443 1.00 0.00 O ATOM 835 CB LEU A 54 6.954 -15.610 85.136 1.00 0.00 C ATOM 836 CG LEU A 54 7.576 -14.240 85.490 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.352 -14.327 86.785 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.501 -13.713 84.375 1.00 0.00 C ATOM 0 H LEU A 54 7.555 -16.364 87.435 1.00 0.00 H new ATOM 0 HA LEU A 54 7.449 -17.691 84.950 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.653 -15.603 84.088 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.049 -15.753 85.727 1.00 0.00 H new ATOM 0 HG LEU A 54 6.749 -13.539 85.602 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.782 -13.353 87.017 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.683 -14.630 87.590 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.151 -15.061 86.682 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.914 -12.748 84.670 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.314 -14.421 84.212 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.930 -13.597 83.454 1.00 0.00 H new ATOM 850 N LEU A 55 10.312 -16.493 85.389 1.00 0.00 N ATOM 851 CA LEU A 55 11.663 -16.335 84.768 1.00 0.00 C ATOM 852 C LEU A 55 12.302 -17.715 84.617 1.00 0.00 C ATOM 853 O LEU A 55 12.853 -18.046 83.587 1.00 0.00 O ATOM 854 CB LEU A 55 12.503 -15.449 85.702 1.00 0.00 C ATOM 855 CG LEU A 55 13.690 -14.833 84.947 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.456 -13.885 85.887 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.630 -15.946 84.452 1.00 0.00 C ATOM 0 H LEU A 55 10.309 -16.490 86.409 1.00 0.00 H new ATOM 0 HA LEU A 55 11.598 -15.874 83.782 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.880 -14.657 86.117 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.868 -16.041 86.542 1.00 0.00 H new ATOM 0 HG LEU A 55 13.321 -14.273 84.088 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.299 -13.446 85.353 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.789 -13.092 86.226 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.823 -14.444 86.748 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.470 -15.502 83.917 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.002 -16.514 85.305 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.085 -16.612 83.783 1.00 0.00 H new ATOM 869 N LEU A 56 12.223 -18.535 85.620 1.00 0.00 N ATOM 870 CA LEU A 56 12.842 -19.886 85.484 1.00 0.00 C ATOM 871 C LEU A 56 12.184 -20.607 84.315 1.00 0.00 C ATOM 872 O LEU A 56 12.782 -21.447 83.673 1.00 0.00 O ATOM 873 CB LEU A 56 12.730 -20.699 86.786 1.00 0.00 C ATOM 874 CG LEU A 56 11.315 -21.307 86.966 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.254 -22.737 86.376 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.966 -21.373 88.465 1.00 0.00 C ATOM 0 H LEU A 56 11.768 -18.340 86.512 1.00 0.00 H new ATOM 0 HA LEU A 56 13.908 -19.774 85.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.471 -21.498 86.780 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.961 -20.057 87.636 1.00 0.00 H new ATOM 0 HG LEU A 56 10.601 -20.673 86.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.252 -23.145 86.513 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.489 -22.702 85.312 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.977 -23.372 86.887 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.971 -21.801 88.588 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.696 -21.997 88.981 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.984 -20.368 88.887 1.00 0.00 H new ATOM 888 N LYS A 57 10.974 -20.252 84.005 1.00 0.00 N ATOM 889 CA LYS A 57 10.291 -20.870 82.852 1.00 0.00 C ATOM 890 C LYS A 57 10.941 -20.256 81.619 1.00 0.00 C ATOM 891 O LYS A 57 12.083 -20.537 81.311 1.00 0.00 O ATOM 892 CB LYS A 57 8.799 -20.520 82.940 1.00 0.00 C ATOM 893 CG LYS A 57 7.992 -21.103 81.763 1.00 0.00 C ATOM 894 CD LYS A 57 8.086 -22.634 81.702 1.00 0.00 C ATOM 895 CE LYS A 57 7.812 -23.260 83.074 1.00 0.00 C ATOM 896 NZ LYS A 57 7.438 -24.690 82.895 1.00 0.00 N ATOM 0 H LYS A 57 10.427 -19.553 84.508 1.00 0.00 H new ATOM 0 HA LYS A 57 10.376 -21.956 82.822 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.394 -20.898 83.878 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.682 -19.436 82.956 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.947 -20.808 81.859 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.358 -20.680 80.828 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.370 -23.017 80.975 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.078 -22.927 81.357 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.696 -23.180 83.707 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.009 -22.722 83.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.251 -25.119 83.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.583 -24.754 82.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.218 -25.197 82.430 1.00 0.00 H new ATOM 910 N GLY A 58 10.271 -19.375 80.950 1.00 0.00 N ATOM 911 CA GLY A 58 10.914 -18.711 79.801 1.00 0.00 C ATOM 912 C GLY A 58 11.989 -17.813 80.386 1.00 0.00 C ATOM 913 O GLY A 58 12.856 -18.280 81.096 1.00 0.00 O ATOM 0 H GLY A 58 9.312 -19.088 81.147 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.346 -19.443 79.119 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.189 -18.131 79.230 1.00 0.00 H new ATOM 917 N ALA A 59 11.941 -16.533 80.141 1.00 0.00 N ATOM 918 CA ALA A 59 12.975 -15.655 80.748 1.00 0.00 C ATOM 919 C ALA A 59 12.869 -14.227 80.230 1.00 0.00 C ATOM 920 O ALA A 59 13.552 -13.818 79.315 1.00 0.00 O ATOM 921 CB ALA A 59 14.358 -16.233 80.467 1.00 0.00 C ATOM 0 H ALA A 59 11.246 -16.066 79.559 1.00 0.00 H new ATOM 0 HA ALA A 59 12.812 -15.618 81.825 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.118 -15.590 80.911 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.430 -17.231 80.898 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.516 -16.291 79.390 1.00 0.00 H new ATOM 927 N ASP A 60 12.049 -13.463 80.869 1.00 0.00 N ATOM 928 CA ASP A 60 11.910 -12.034 80.500 1.00 0.00 C ATOM 929 C ASP A 60 13.113 -11.298 81.085 1.00 0.00 C ATOM 930 O ASP A 60 13.245 -10.095 80.994 1.00 0.00 O ATOM 931 CB ASP A 60 10.626 -11.463 81.087 1.00 0.00 C ATOM 932 CG ASP A 60 10.462 -10.034 80.589 1.00 0.00 C ATOM 933 OD1 ASP A 60 11.071 -9.152 81.172 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.732 -9.840 79.629 1.00 0.00 O ATOM 0 H ASP A 60 11.458 -13.767 81.643 1.00 0.00 H new ATOM 0 HA ASP A 60 11.869 -11.920 79.417 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.771 -12.069 80.788 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.666 -11.483 82.176 1.00 0.00 H new ATOM 939 N ILE A 61 13.980 -12.042 81.699 1.00 0.00 N ATOM 940 CA ILE A 61 15.198 -11.472 82.331 1.00 0.00 C ATOM 941 C ILE A 61 15.931 -10.546 81.364 1.00 0.00 C ATOM 942 O ILE A 61 16.672 -9.669 81.761 1.00 0.00 O ATOM 943 CB ILE A 61 16.114 -12.640 82.672 1.00 0.00 C ATOM 944 CG1 ILE A 61 17.303 -12.151 83.489 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.623 -13.281 81.375 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.254 -13.322 83.792 1.00 0.00 C ATOM 0 H ILE A 61 13.894 -13.054 81.793 1.00 0.00 H new ATOM 0 HA ILE A 61 14.921 -10.897 83.214 1.00 0.00 H new ATOM 0 HB ILE A 61 15.555 -13.372 83.255 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.835 -11.373 82.942 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.955 -11.705 84.421 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.279 -14.118 81.616 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.776 -13.640 80.790 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.176 -12.541 80.796 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.100 -12.961 84.376 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.721 -14.086 84.358 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.615 -13.749 82.856 1.00 0.00 H new ATOM 958 N ASN A 62 15.752 -10.768 80.096 1.00 0.00 N ATOM 959 CA ASN A 62 16.459 -9.950 79.067 1.00 0.00 C ATOM 960 C ASN A 62 15.495 -9.625 77.925 1.00 0.00 C ATOM 961 O ASN A 62 15.446 -8.513 77.446 1.00 0.00 O ATOM 962 CB ASN A 62 17.653 -10.751 78.543 1.00 0.00 C ATOM 963 CG ASN A 62 17.165 -12.051 77.887 1.00 0.00 C ATOM 964 OD1 ASN A 62 17.711 -12.482 76.889 1.00 0.00 O ATOM 965 ND2 ASN A 62 16.157 -12.700 78.410 1.00 0.00 N ATOM 0 H ASN A 62 15.138 -11.490 79.720 1.00 0.00 H new ATOM 0 HA ASN A 62 16.811 -9.015 79.502 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.211 -10.156 77.820 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.335 -10.981 79.362 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.830 -13.566 77.981 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.698 -12.340 79.247 1.00 0.00 H new ATOM 972 N ALA A 63 14.704 -10.597 77.536 1.00 0.00 N ATOM 973 CA ALA A 63 13.657 -10.414 76.456 1.00 0.00 C ATOM 974 C ALA A 63 13.330 -8.928 76.130 1.00 0.00 C ATOM 975 O ALA A 63 13.479 -8.534 74.991 1.00 0.00 O ATOM 976 CB ALA A 63 12.373 -11.175 76.822 1.00 0.00 C ATOM 0 H ALA A 63 14.735 -11.538 77.928 1.00 0.00 H new ATOM 0 HA ALA A 63 14.092 -10.830 75.547 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.630 -11.034 76.037 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.596 -12.237 76.924 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.981 -10.794 77.765 1.00 0.00 H new ATOM 982 N PRO A 64 12.876 -8.141 77.111 1.00 0.00 N ATOM 983 CA PRO A 64 12.514 -6.725 76.947 1.00 0.00 C ATOM 984 C PRO A 64 12.782 -6.123 75.568 1.00 0.00 C ATOM 985 O PRO A 64 13.872 -6.185 75.034 1.00 0.00 O ATOM 986 CB PRO A 64 13.267 -6.082 78.103 1.00 0.00 C ATOM 987 CG PRO A 64 13.314 -7.197 79.208 1.00 0.00 C ATOM 988 CD PRO A 64 12.761 -8.492 78.533 1.00 0.00 C ATOM 0 HA PRO A 64 11.438 -6.553 76.984 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.270 -5.777 77.803 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.756 -5.188 78.462 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.332 -7.348 79.567 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.709 -6.918 80.071 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.349 -9.373 78.789 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.731 -8.701 78.824 1.00 0.00 H new ATOM 996 N ASP A 65 11.763 -5.514 75.011 1.00 0.00 N ATOM 997 CA ASP A 65 11.867 -4.855 73.679 1.00 0.00 C ATOM 998 C ASP A 65 11.212 -3.478 73.789 1.00 0.00 C ATOM 999 O ASP A 65 11.721 -2.486 73.308 1.00 0.00 O ATOM 1000 CB ASP A 65 11.110 -5.686 72.643 1.00 0.00 C ATOM 1001 CG ASP A 65 11.919 -6.937 72.290 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.076 -6.790 71.928 1.00 0.00 O ATOM 1003 OD2 ASP A 65 11.369 -8.021 72.391 1.00 0.00 O ATOM 0 H ASP A 65 10.840 -5.447 75.440 1.00 0.00 H new ATOM 0 HA ASP A 65 12.910 -4.765 73.376 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.134 -5.972 73.035 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.932 -5.092 71.747 1.00 0.00 H new ATOM 1008 N LYS A 66 10.076 -3.425 74.432 1.00 0.00 N ATOM 1009 CA LYS A 66 9.352 -2.150 74.607 1.00 0.00 C ATOM 1010 C LYS A 66 9.895 -1.420 75.833 1.00 0.00 C ATOM 1011 O LYS A 66 9.921 -0.207 75.889 1.00 0.00 O ATOM 1012 CB LYS A 66 7.880 -2.472 74.810 1.00 0.00 C ATOM 1013 CG LYS A 66 7.051 -1.197 74.681 1.00 0.00 C ATOM 1014 CD LYS A 66 6.723 -0.916 73.210 1.00 0.00 C ATOM 1015 CE LYS A 66 5.791 0.293 73.119 1.00 0.00 C ATOM 1016 NZ LYS A 66 5.634 0.697 71.692 1.00 0.00 N ATOM 0 H LYS A 66 9.616 -4.234 74.849 1.00 0.00 H new ATOM 0 HA LYS A 66 9.483 -1.512 73.733 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.553 -3.206 74.073 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.728 -2.918 75.793 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.128 -1.297 75.253 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.599 -0.355 75.105 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.640 -0.725 72.652 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.250 -1.788 72.758 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.819 0.049 73.547 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.196 1.122 73.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.000 1.519 71.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.563 0.947 71.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.229 -0.093 71.150 1.00 0.00 H new ATOM 1030 N HIS A 67 10.344 -2.153 76.808 1.00 0.00 N ATOM 1031 CA HIS A 67 10.902 -1.522 78.027 1.00 0.00 C ATOM 1032 C HIS A 67 12.329 -1.081 77.728 1.00 0.00 C ATOM 1033 O HIS A 67 12.891 -0.252 78.415 1.00 0.00 O ATOM 1034 CB HIS A 67 10.950 -2.557 79.159 1.00 0.00 C ATOM 1035 CG HIS A 67 9.616 -2.659 79.838 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.386 -2.094 81.082 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.444 -3.274 79.482 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.119 -2.378 81.428 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.502 -3.095 80.488 1.00 0.00 N ATOM 0 H HIS A 67 10.348 -3.173 76.811 1.00 0.00 H new ATOM 0 HA HIS A 67 10.283 -0.674 78.321 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.235 -3.530 78.758 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.713 -2.275 79.885 1.00 0.00 H new ATOM 0 HD1 HIS A 67 10.056 -1.560 81.635 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.278 -3.814 78.562 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.658 -2.064 82.353 1.00 0.00 H new ATOM 1047 N HIS A 68 12.935 -1.663 76.731 1.00 0.00 N ATOM 1048 CA HIS A 68 14.341 -1.308 76.429 1.00 0.00 C ATOM 1049 C HIS A 68 15.137 -1.460 77.719 1.00 0.00 C ATOM 1050 O HIS A 68 16.035 -0.692 78.002 1.00 0.00 O ATOM 1051 CB HIS A 68 14.421 0.141 75.938 1.00 0.00 C ATOM 1052 CG HIS A 68 13.282 0.414 75.004 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.037 -0.370 73.890 1.00 0.00 N ATOM 1054 CD2 HIS A 68 12.305 1.374 75.011 1.00 0.00 C ATOM 1055 CE1 HIS A 68 11.948 0.128 73.276 1.00 0.00 C ATOM 1056 NE2 HIS A 68 11.462 1.193 73.919 1.00 0.00 N ATOM 0 H HIS A 68 12.518 -2.364 76.119 1.00 0.00 H new ATOM 0 HA HIS A 68 14.741 -1.956 75.649 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.383 0.826 76.785 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.371 0.313 75.431 1.00 0.00 H new ATOM 0 HD1 HIS A 68 13.582 -1.178 73.589 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.204 2.153 75.752 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.520 -0.283 72.374 1.00 0.00 H new ATOM 1064 N ILE A 69 14.799 -2.438 78.527 1.00 0.00 N ATOM 1065 CA ILE A 69 15.532 -2.603 79.805 1.00 0.00 C ATOM 1066 C ILE A 69 15.553 -4.029 80.271 1.00 0.00 C ATOM 1067 O ILE A 69 14.853 -4.909 79.823 1.00 0.00 O ATOM 1068 CB ILE A 69 14.933 -1.652 80.889 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.035 -0.713 81.396 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.297 -2.399 82.107 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.148 -1.494 82.074 1.00 0.00 C ATOM 0 H ILE A 69 14.057 -3.116 78.353 1.00 0.00 H new ATOM 0 HA ILE A 69 16.572 -2.326 79.633 1.00 0.00 H new ATOM 0 HB ILE A 69 14.126 -1.101 80.407 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.443 -0.142 80.562 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.611 0.006 82.097 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.903 -1.670 82.816 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.487 -3.040 81.758 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.056 -3.008 82.597 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.916 -0.804 82.424 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.741 -2.045 82.922 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.586 -2.194 81.363 1.00 0.00 H new ATOM 1083 N THR A 70 16.417 -4.199 81.185 1.00 0.00 N ATOM 1084 CA THR A 70 16.698 -5.474 81.824 1.00 0.00 C ATOM 1085 C THR A 70 16.160 -5.250 83.236 1.00 0.00 C ATOM 1086 O THR A 70 16.674 -4.419 83.947 1.00 0.00 O ATOM 1087 CB THR A 70 18.220 -5.638 81.790 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.798 -5.138 82.958 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.766 -4.789 80.688 1.00 0.00 C ATOM 0 H THR A 70 16.990 -3.436 81.546 1.00 0.00 H new ATOM 0 HA THR A 70 16.262 -6.366 81.374 1.00 0.00 H new ATOM 0 HB THR A 70 18.440 -6.698 81.665 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.767 -5.061 82.836 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.850 -4.895 80.650 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.337 -5.107 79.738 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.509 -3.746 80.871 1.00 0.00 H new ATOM 1097 N PRO A 71 15.063 -5.880 83.564 1.00 0.00 N ATOM 1098 CA PRO A 71 14.375 -5.621 84.838 1.00 0.00 C ATOM 1099 C PRO A 71 15.250 -5.893 86.053 1.00 0.00 C ATOM 1100 O PRO A 71 14.888 -5.560 87.161 1.00 0.00 O ATOM 1101 CB PRO A 71 13.150 -6.559 84.810 1.00 0.00 C ATOM 1102 CG PRO A 71 13.034 -7.066 83.360 1.00 0.00 C ATOM 1103 CD PRO A 71 14.399 -6.872 82.711 1.00 0.00 C ATOM 0 HA PRO A 71 14.103 -4.570 84.932 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.279 -7.389 85.504 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.246 -6.029 85.111 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.743 -8.116 83.341 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.267 -6.513 82.818 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.960 -7.806 82.675 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.306 -6.517 81.685 1.00 0.00 H new ATOM 1111 N LEU A 72 16.403 -6.443 85.884 1.00 0.00 N ATOM 1112 CA LEU A 72 17.256 -6.649 87.079 1.00 0.00 C ATOM 1113 C LEU A 72 17.462 -5.271 87.704 1.00 0.00 C ATOM 1114 O LEU A 72 17.527 -5.121 88.904 1.00 0.00 O ATOM 1115 CB LEU A 72 18.603 -7.297 86.693 1.00 0.00 C ATOM 1116 CG LEU A 72 18.495 -8.164 85.415 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.314 -9.166 85.470 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.394 -7.243 84.182 1.00 0.00 C ATOM 0 H LEU A 72 16.792 -6.755 84.994 1.00 0.00 H new ATOM 0 HA LEU A 72 16.783 -7.329 87.787 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.348 -6.516 86.537 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.956 -7.914 87.519 1.00 0.00 H new ATOM 0 HG LEU A 72 19.397 -8.772 85.342 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.287 -9.747 84.548 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.446 -9.837 86.318 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.378 -8.619 85.582 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.318 -7.850 83.280 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.510 -6.612 84.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.283 -6.615 84.123 1.00 0.00 H new ATOM 1130 N LEU A 73 17.491 -4.263 86.874 1.00 0.00 N ATOM 1131 CA LEU A 73 17.616 -2.870 87.366 1.00 0.00 C ATOM 1132 C LEU A 73 16.302 -2.524 88.054 1.00 0.00 C ATOM 1133 O LEU A 73 16.205 -1.618 88.849 1.00 0.00 O ATOM 1134 CB LEU A 73 17.829 -1.924 86.189 1.00 0.00 C ATOM 1135 CG LEU A 73 19.237 -2.112 85.596 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.191 -3.201 84.537 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.708 -0.798 84.973 1.00 0.00 C ATOM 0 H LEU A 73 17.432 -4.353 85.860 1.00 0.00 H new ATOM 0 HA LEU A 73 18.461 -2.774 88.048 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.077 -2.112 85.423 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.700 -0.892 86.516 1.00 0.00 H new ATOM 0 HG LEU A 73 19.934 -2.402 86.383 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.186 -3.339 84.113 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.857 -4.135 84.990 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.497 -2.912 83.748 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.705 -0.931 84.553 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.018 -0.502 84.183 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.737 -0.022 85.738 1.00 0.00 H new ATOM 1149 N SER A 74 15.275 -3.249 87.737 1.00 0.00 N ATOM 1150 CA SER A 74 13.967 -2.970 88.367 1.00 0.00 C ATOM 1151 C SER A 74 14.092 -3.098 89.901 1.00 0.00 C ATOM 1152 O SER A 74 13.708 -2.216 90.652 1.00 0.00 O ATOM 1153 CB SER A 74 12.929 -3.963 87.856 1.00 0.00 C ATOM 1154 OG SER A 74 13.051 -5.174 88.580 1.00 0.00 O ATOM 0 H SER A 74 15.285 -4.021 87.070 1.00 0.00 H new ATOM 0 HA SER A 74 13.654 -1.957 88.112 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.926 -3.553 87.975 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.075 -4.145 86.791 1.00 0.00 H new ATOM 0 HG SER A 74 13.812 -5.687 88.234 1.00 0.00 H new ATOM 1160 N ALA A 75 14.626 -4.203 90.369 1.00 0.00 N ATOM 1161 CA ALA A 75 14.768 -4.407 91.853 1.00 0.00 C ATOM 1162 C ALA A 75 15.807 -3.439 92.425 1.00 0.00 C ATOM 1163 O ALA A 75 15.702 -3.002 93.550 1.00 0.00 O ATOM 1164 CB ALA A 75 15.195 -5.845 92.150 1.00 0.00 C ATOM 0 H ALA A 75 14.969 -4.971 89.792 1.00 0.00 H new ATOM 0 HA ALA A 75 13.803 -4.214 92.321 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.294 -5.980 93.227 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.443 -6.534 91.766 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.152 -6.047 91.669 1.00 0.00 H new ATOM 1170 N VAL A 76 16.809 -3.102 91.659 1.00 0.00 N ATOM 1171 CA VAL A 76 17.857 -2.162 92.145 1.00 0.00 C ATOM 1172 C VAL A 76 17.194 -0.989 92.857 1.00 0.00 C ATOM 1173 O VAL A 76 17.335 -0.820 94.052 1.00 0.00 O ATOM 1174 CB VAL A 76 18.654 -1.689 90.919 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.608 -0.518 91.217 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.467 -2.868 90.422 1.00 0.00 C ATOM 0 H VAL A 76 16.947 -3.442 90.707 1.00 0.00 H new ATOM 0 HA VAL A 76 18.528 -2.645 92.856 1.00 0.00 H new ATOM 0 HB VAL A 76 17.942 -1.326 90.178 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.136 -0.238 90.306 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.035 0.335 91.580 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.329 -0.820 91.976 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.047 -2.568 89.549 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.142 -3.202 91.210 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.797 -3.683 90.149 1.00 0.00 H new ATOM 1186 N TYR A 77 16.478 -0.175 92.143 1.00 0.00 N ATOM 1187 CA TYR A 77 15.826 0.979 92.810 1.00 0.00 C ATOM 1188 C TYR A 77 14.655 0.475 93.670 1.00 0.00 C ATOM 1189 O TYR A 77 13.585 1.051 93.650 1.00 0.00 O ATOM 1190 CB TYR A 77 15.298 1.986 91.761 1.00 0.00 C ATOM 1191 CG TYR A 77 16.090 1.889 90.481 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.679 1.011 89.474 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.218 2.692 90.294 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.398 0.937 88.278 1.00 0.00 C ATOM 1195 CE2 TYR A 77 17.938 2.615 89.101 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.529 1.738 88.091 1.00 0.00 C ATOM 1197 OH TYR A 77 18.239 1.665 86.910 1.00 0.00 O ATOM 0 H TYR A 77 16.317 -0.256 91.139 1.00 0.00 H new ATOM 0 HA TYR A 77 16.560 1.482 93.439 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.245 1.789 91.559 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.362 2.999 92.158 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.807 0.391 89.620 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.532 3.372 91.072 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.080 0.261 87.498 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.812 3.233 88.957 1.00 0.00 H new ATOM 0 HH TYR A 77 18.378 2.568 86.556 1.00 0.00 H new ATOM 1207 N GLU A 78 14.830 -0.600 94.409 1.00 0.00 N ATOM 1208 CA GLU A 78 13.695 -1.130 95.238 1.00 0.00 C ATOM 1209 C GLU A 78 14.142 -1.368 96.678 1.00 0.00 C ATOM 1210 O GLU A 78 13.337 -1.441 97.585 1.00 0.00 O ATOM 1211 CB GLU A 78 13.253 -2.465 94.637 1.00 0.00 C ATOM 1212 CG GLU A 78 11.804 -2.773 95.039 1.00 0.00 C ATOM 1213 CD GLU A 78 11.506 -4.258 94.819 1.00 0.00 C ATOM 1214 OE1 GLU A 78 12.076 -4.829 93.903 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.714 -4.800 95.573 1.00 0.00 O ATOM 0 H GLU A 78 15.700 -1.128 94.474 1.00 0.00 H new ATOM 0 HA GLU A 78 12.881 -0.405 95.240 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.337 -2.429 93.551 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.911 -3.263 94.981 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.645 -2.512 96.085 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.117 -2.164 94.451 1.00 0.00 H new ATOM 1222 N GLY A 79 15.409 -1.537 96.895 1.00 0.00 N ATOM 1223 CA GLY A 79 15.877 -1.822 98.272 1.00 0.00 C ATOM 1224 C GLY A 79 15.692 -3.319 98.510 1.00 0.00 C ATOM 1225 O GLY A 79 16.104 -3.857 99.517 1.00 0.00 O ATOM 0 H GLY A 79 16.138 -1.491 96.183 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.923 -1.540 98.389 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.308 -1.243 98.999 1.00 0.00 H new ATOM 1229 N HIS A 80 15.092 -4.000 97.558 1.00 0.00 N ATOM 1230 CA HIS A 80 14.899 -5.468 97.693 1.00 0.00 C ATOM 1231 C HIS A 80 16.190 -6.179 97.346 1.00 0.00 C ATOM 1232 O HIS A 80 16.742 -6.893 98.154 1.00 0.00 O ATOM 1233 CB HIS A 80 13.801 -5.949 96.733 1.00 0.00 C ATOM 1234 CG HIS A 80 12.453 -5.829 97.375 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.610 -6.915 97.442 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.806 -4.804 98.013 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.510 -6.539 98.100 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.570 -5.255 98.476 1.00 0.00 N ATOM 0 H HIS A 80 14.730 -3.594 96.695 1.00 0.00 H new ATOM 0 HA HIS A 80 14.608 -5.690 98.720 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.827 -5.360 95.816 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.985 -6.986 96.451 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.192 -3.803 98.138 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.674 -7.191 98.304 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.866 -4.724 98.988 1.00 0.00 H new ATOM 1246 N VAL A 81 16.659 -5.987 96.142 1.00 0.00 N ATOM 1247 CA VAL A 81 17.913 -6.632 95.687 1.00 0.00 C ATOM 1248 C VAL A 81 18.108 -8.017 96.322 1.00 0.00 C ATOM 1249 O VAL A 81 19.183 -8.582 96.317 1.00 0.00 O ATOM 1250 CB VAL A 81 19.081 -5.676 95.953 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.181 -4.642 94.822 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.819 -4.899 97.232 1.00 0.00 C ATOM 0 H VAL A 81 16.211 -5.395 95.443 1.00 0.00 H new ATOM 0 HA VAL A 81 17.862 -6.821 94.615 1.00 0.00 H new ATOM 0 HB VAL A 81 19.995 -6.266 96.025 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.014 -3.967 95.019 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.346 -5.154 93.874 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.255 -4.070 94.769 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.650 -4.219 97.421 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.898 -4.326 97.127 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.721 -5.594 98.066 1.00 0.00 H new ATOM 1262 N SER A 82 17.045 -8.600 96.782 1.00 0.00 N ATOM 1263 CA SER A 82 17.113 -9.981 97.298 1.00 0.00 C ATOM 1264 C SER A 82 16.910 -10.816 96.046 1.00 0.00 C ATOM 1265 O SER A 82 17.261 -11.977 95.957 1.00 0.00 O ATOM 1266 CB SER A 82 15.989 -10.217 98.313 1.00 0.00 C ATOM 1267 OG SER A 82 16.494 -10.009 99.626 1.00 0.00 O ATOM 0 H SER A 82 16.121 -8.170 96.822 1.00 0.00 H new ATOM 0 HA SER A 82 18.041 -10.217 97.818 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.158 -9.539 98.118 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.602 -11.231 98.216 1.00 0.00 H new ATOM 0 HG SER A 82 15.778 -10.157 100.279 1.00 0.00 H new ATOM 1273 N CYS A 83 16.331 -10.169 95.064 1.00 0.00 N ATOM 1274 CA CYS A 83 16.057 -10.818 93.748 1.00 0.00 C ATOM 1275 C CYS A 83 17.317 -10.751 92.876 1.00 0.00 C ATOM 1276 O CYS A 83 17.796 -11.758 92.408 1.00 0.00 O ATOM 1277 CB CYS A 83 14.894 -10.085 93.047 1.00 0.00 C ATOM 1278 SG CYS A 83 14.654 -8.452 93.796 1.00 0.00 S ATOM 0 H CYS A 83 16.031 -9.196 95.123 1.00 0.00 H new ATOM 0 HA CYS A 83 15.782 -11.861 93.902 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.108 -9.979 91.983 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.979 -10.672 93.131 1.00 0.00 H new ATOM 0 HG CYS A 83 15.804 -7.858 93.919 1.00 0.00 H new ATOM 1284 N VAL A 84 17.863 -9.571 92.664 1.00 0.00 N ATOM 1285 CA VAL A 84 19.110 -9.458 91.831 1.00 0.00 C ATOM 1286 C VAL A 84 20.051 -10.593 92.223 1.00 0.00 C ATOM 1287 O VAL A 84 20.697 -11.200 91.404 1.00 0.00 O ATOM 1288 CB VAL A 84 19.824 -8.148 92.138 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.956 -6.960 91.725 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.145 -8.102 93.624 1.00 0.00 C ATOM 0 H VAL A 84 17.503 -8.689 93.028 1.00 0.00 H new ATOM 0 HA VAL A 84 18.843 -9.501 90.775 1.00 0.00 H new ATOM 0 HB VAL A 84 20.752 -8.089 91.570 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.480 -6.031 91.951 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.753 -7.012 90.655 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.015 -6.989 92.274 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.657 -7.168 93.857 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.220 -8.162 94.198 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.788 -8.943 93.883 1.00 0.00 H new ATOM 1300 N LYS A 85 20.111 -10.859 93.498 1.00 0.00 N ATOM 1301 CA LYS A 85 20.994 -11.930 94.028 1.00 0.00 C ATOM 1302 C LYS A 85 20.793 -13.250 93.276 1.00 0.00 C ATOM 1303 O LYS A 85 21.619 -13.664 92.487 1.00 0.00 O ATOM 1304 CB LYS A 85 20.650 -12.135 95.509 1.00 0.00 C ATOM 1305 CG LYS A 85 21.124 -10.918 96.356 1.00 0.00 C ATOM 1306 CD LYS A 85 22.226 -11.331 97.349 1.00 0.00 C ATOM 1307 CE LYS A 85 23.034 -10.098 97.762 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.049 -10.491 98.779 1.00 0.00 N ATOM 0 H LYS A 85 19.571 -10.366 94.209 1.00 0.00 H new ATOM 0 HA LYS A 85 22.034 -11.630 93.899 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.574 -12.267 95.623 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.123 -13.046 95.875 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.499 -10.135 95.696 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.278 -10.498 96.900 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.781 -11.798 98.228 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.882 -12.072 96.892 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.525 -9.663 96.892 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.371 -9.335 98.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.599 -9.655 99.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.570 -10.888 99.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.687 -11.205 98.374 1.00 0.00 H new ATOM 1322 N LEU A 86 19.717 -13.933 93.535 1.00 0.00 N ATOM 1323 CA LEU A 86 19.496 -15.242 92.849 1.00 0.00 C ATOM 1324 C LEU A 86 19.357 -15.022 91.345 1.00 0.00 C ATOM 1325 O LEU A 86 19.281 -15.944 90.564 1.00 0.00 O ATOM 1326 CB LEU A 86 18.297 -15.975 93.495 1.00 0.00 C ATOM 1327 CG LEU A 86 16.956 -15.786 92.760 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.655 -14.298 92.528 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.909 -16.590 91.432 1.00 0.00 C ATOM 0 H LEU A 86 18.984 -13.649 94.185 1.00 0.00 H new ATOM 0 HA LEU A 86 20.357 -15.897 92.979 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.523 -17.040 93.543 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.186 -15.626 94.522 1.00 0.00 H new ATOM 0 HG LEU A 86 16.172 -16.186 93.404 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.703 -14.196 92.008 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.601 -13.784 93.488 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.448 -13.856 91.924 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.948 -16.430 90.944 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.710 -16.253 90.774 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.036 -17.651 91.645 1.00 0.00 H new ATOM 1341 N LEU A 87 19.338 -13.792 90.927 1.00 0.00 N ATOM 1342 CA LEU A 87 19.198 -13.507 89.471 1.00 0.00 C ATOM 1343 C LEU A 87 20.504 -13.768 88.696 1.00 0.00 C ATOM 1344 O LEU A 87 20.582 -14.711 87.934 1.00 0.00 O ATOM 1345 CB LEU A 87 18.749 -12.046 89.300 1.00 0.00 C ATOM 1346 CG LEU A 87 17.377 -11.972 88.626 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.887 -10.523 88.658 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.478 -12.448 87.175 1.00 0.00 C ATOM 0 H LEU A 87 19.413 -12.970 91.527 1.00 0.00 H new ATOM 0 HA LEU A 87 18.452 -14.184 89.054 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.707 -11.558 90.274 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.482 -11.504 88.703 1.00 0.00 H new ATOM 0 HG LEU A 87 16.675 -12.614 89.158 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.910 -10.459 88.180 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.808 -10.188 89.692 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.594 -9.888 88.124 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.496 -12.391 86.704 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.178 -11.813 86.632 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.832 -13.479 87.154 1.00 0.00 H new ATOM 1360 N LEU A 88 21.516 -12.944 88.831 1.00 0.00 N ATOM 1361 CA LEU A 88 22.732 -13.203 88.029 1.00 0.00 C ATOM 1362 C LEU A 88 23.241 -14.604 88.315 1.00 0.00 C ATOM 1363 O LEU A 88 24.091 -15.129 87.622 1.00 0.00 O ATOM 1364 CB LEU A 88 23.817 -12.141 88.281 1.00 0.00 C ATOM 1365 CG LEU A 88 24.531 -12.305 89.643 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.504 -12.426 90.763 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.477 -13.531 89.646 1.00 0.00 C ATOM 0 H LEU A 88 21.546 -12.130 89.445 1.00 0.00 H new ATOM 0 HA LEU A 88 22.474 -13.135 86.972 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.557 -12.192 87.482 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.364 -11.151 88.233 1.00 0.00 H new ATOM 0 HG LEU A 88 25.140 -11.417 89.810 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.018 -12.541 91.717 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.887 -11.528 90.789 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.872 -13.296 90.584 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.961 -13.615 90.619 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.901 -14.435 89.448 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.235 -13.407 88.873 1.00 0.00 H new ATOM 1379 N SER A 89 22.705 -15.227 89.316 1.00 0.00 N ATOM 1380 CA SER A 89 23.133 -16.611 89.637 1.00 0.00 C ATOM 1381 C SER A 89 22.918 -17.434 88.372 1.00 0.00 C ATOM 1382 O SER A 89 23.449 -18.515 88.206 1.00 0.00 O ATOM 1383 CB SER A 89 22.286 -17.158 90.803 1.00 0.00 C ATOM 1384 OG SER A 89 23.107 -17.309 91.952 1.00 0.00 O ATOM 0 H SER A 89 21.987 -14.839 89.929 1.00 0.00 H new ATOM 0 HA SER A 89 24.177 -16.652 89.946 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.462 -16.478 91.018 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.845 -18.117 90.529 1.00 0.00 H new ATOM 0 HG SER A 89 22.570 -17.655 92.695 1.00 0.00 H new ATOM 1390 N LYS A 90 22.135 -16.894 87.475 1.00 0.00 N ATOM 1391 CA LYS A 90 21.839 -17.565 86.190 1.00 0.00 C ATOM 1392 C LYS A 90 22.544 -16.784 85.074 1.00 0.00 C ATOM 1393 O LYS A 90 22.956 -17.344 84.078 1.00 0.00 O ATOM 1394 CB LYS A 90 20.303 -17.576 86.011 1.00 0.00 C ATOM 1395 CG LYS A 90 19.904 -17.555 84.518 1.00 0.00 C ATOM 1396 CD LYS A 90 18.608 -18.350 84.292 1.00 0.00 C ATOM 1397 CE LYS A 90 17.468 -17.770 85.140 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.496 -18.390 86.495 1.00 0.00 N ATOM 0 H LYS A 90 21.679 -15.989 87.591 1.00 0.00 H new ATOM 0 HA LYS A 90 22.198 -18.594 86.163 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.887 -18.464 86.487 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.871 -16.712 86.516 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.768 -16.525 84.187 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.707 -17.980 83.916 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.336 -18.321 83.237 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.766 -19.397 84.552 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.574 -16.688 85.220 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.508 -17.962 84.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.524 -18.598 86.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.045 -19.273 86.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.939 -17.733 87.168 1.00 0.00 H new ATOM 1412 N GLY A 91 22.665 -15.495 85.224 1.00 0.00 N ATOM 1413 CA GLY A 91 23.334 -14.677 84.175 1.00 0.00 C ATOM 1414 C GLY A 91 22.811 -13.232 84.230 1.00 0.00 C ATOM 1415 O GLY A 91 23.319 -12.408 84.962 1.00 0.00 O ATOM 0 H GLY A 91 22.328 -14.971 86.031 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.414 -14.689 84.325 1.00 0.00 H new ATOM 0 HA3 GLY A 91 23.144 -15.105 83.191 1.00 0.00 H new ATOM 1419 N ALA A 92 21.801 -12.926 83.454 1.00 0.00 N ATOM 1420 CA ALA A 92 21.224 -11.540 83.439 1.00 0.00 C ATOM 1421 C ALA A 92 22.313 -10.491 83.270 1.00 0.00 C ATOM 1422 O ALA A 92 22.020 -9.314 83.261 1.00 0.00 O ATOM 1423 CB ALA A 92 20.442 -11.281 84.749 1.00 0.00 C ATOM 0 H ALA A 92 21.344 -13.583 82.822 1.00 0.00 H new ATOM 0 HA ALA A 92 20.546 -11.464 82.589 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.026 -10.274 84.731 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.633 -12.006 84.839 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.115 -11.381 85.600 1.00 0.00 H new ATOM 1429 N ASP A 93 23.548 -10.888 83.111 1.00 0.00 N ATOM 1430 CA ASP A 93 24.631 -9.879 82.925 1.00 0.00 C ATOM 1431 C ASP A 93 24.365 -8.672 83.822 1.00 0.00 C ATOM 1432 O ASP A 93 24.087 -8.813 84.996 1.00 0.00 O ATOM 1433 CB ASP A 93 24.608 -9.454 81.470 1.00 0.00 C ATOM 1434 CG ASP A 93 24.964 -10.646 80.580 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.142 -10.851 80.341 1.00 0.00 O ATOM 1436 OD2 ASP A 93 24.053 -11.333 80.151 1.00 0.00 O ATOM 0 H ASP A 93 23.852 -11.862 83.102 1.00 0.00 H new ATOM 0 HA ASP A 93 25.602 -10.298 83.188 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.621 -9.074 81.208 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.316 -8.642 81.307 1.00 0.00 H new ATOM 1441 N LYS A 94 24.405 -7.493 83.281 1.00 0.00 N ATOM 1442 CA LYS A 94 24.105 -6.307 84.119 1.00 0.00 C ATOM 1443 C LYS A 94 23.809 -5.105 83.221 1.00 0.00 C ATOM 1444 O LYS A 94 23.070 -4.214 83.588 1.00 0.00 O ATOM 1445 CB LYS A 94 25.284 -6.003 85.048 1.00 0.00 C ATOM 1446 CG LYS A 94 24.978 -4.760 85.900 1.00 0.00 C ATOM 1447 CD LYS A 94 23.739 -4.992 86.818 1.00 0.00 C ATOM 1448 CE LYS A 94 22.459 -4.308 86.275 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.563 -3.979 87.420 1.00 0.00 N ATOM 0 H LYS A 94 24.630 -7.299 82.305 1.00 0.00 H new ATOM 0 HA LYS A 94 23.229 -6.515 84.733 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.477 -6.859 85.695 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.187 -5.837 84.460 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.846 -4.514 86.512 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.795 -3.906 85.248 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.560 -6.063 86.917 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.955 -4.611 87.816 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.719 -3.402 85.728 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.948 -4.968 85.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.587 -4.251 87.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.874 -4.499 88.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.602 -2.957 87.609 1.00 0.00 H new ATOM 1463 N THR A 95 24.380 -5.076 82.045 1.00 0.00 N ATOM 1464 CA THR A 95 24.143 -3.936 81.107 1.00 0.00 C ATOM 1465 C THR A 95 23.763 -4.504 79.744 1.00 0.00 C ATOM 1466 O THR A 95 24.296 -4.114 78.723 1.00 0.00 O ATOM 1467 CB THR A 95 25.425 -3.105 80.987 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.545 -3.977 80.936 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.557 -2.178 82.198 1.00 0.00 C ATOM 0 H THR A 95 25.006 -5.799 81.690 1.00 0.00 H new ATOM 0 HA THR A 95 23.341 -3.298 81.478 1.00 0.00 H new ATOM 0 HB THR A 95 25.383 -2.505 80.078 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.367 -3.449 80.857 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.470 -1.589 82.108 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.697 -1.510 82.240 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.598 -2.774 83.110 1.00 0.00 H new ATOM 1477 N VAL A 96 22.850 -5.436 79.727 1.00 0.00 N ATOM 1478 CA VAL A 96 22.429 -6.052 78.445 1.00 0.00 C ATOM 1479 C VAL A 96 21.446 -5.118 77.716 1.00 0.00 C ATOM 1480 O VAL A 96 21.229 -5.257 76.530 1.00 0.00 O ATOM 1481 CB VAL A 96 21.784 -7.434 78.749 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.654 -7.766 77.757 1.00 0.00 C ATOM 1483 CG2 VAL A 96 22.859 -8.534 78.671 1.00 0.00 C ATOM 0 H VAL A 96 22.376 -5.797 80.555 1.00 0.00 H new ATOM 0 HA VAL A 96 23.288 -6.201 77.791 1.00 0.00 H new ATOM 0 HB VAL A 96 21.357 -7.388 79.751 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.229 -8.739 78.002 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.878 -7.004 77.822 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.055 -7.790 76.744 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.405 -9.502 78.884 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.292 -8.549 77.671 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.641 -8.331 79.402 1.00 0.00 H new ATOM 1493 N LYS A 97 20.855 -4.156 78.385 1.00 0.00 N ATOM 1494 CA LYS A 97 19.917 -3.255 77.642 1.00 0.00 C ATOM 1495 C LYS A 97 19.661 -1.941 78.405 1.00 0.00 C ATOM 1496 O LYS A 97 18.917 -1.100 77.941 1.00 0.00 O ATOM 1497 CB LYS A 97 18.588 -4.003 77.363 1.00 0.00 C ATOM 1498 CG LYS A 97 18.195 -3.895 75.877 1.00 0.00 C ATOM 1499 CD LYS A 97 16.990 -4.805 75.575 1.00 0.00 C ATOM 1500 CE LYS A 97 17.450 -6.250 75.334 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.317 -7.043 74.779 1.00 0.00 N ATOM 0 H LYS A 97 20.975 -3.959 79.379 1.00 0.00 H new ATOM 0 HA LYS A 97 20.381 -2.985 76.694 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.692 -5.052 77.640 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.795 -3.586 77.984 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.949 -2.862 75.633 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.040 -4.178 75.249 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.288 -4.776 76.408 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.459 -4.436 74.697 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.292 -6.265 74.642 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.796 -6.694 76.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.099 -7.833 75.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.480 -6.433 74.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.580 -7.417 73.845 1.00 0.00 H new ATOM 1515 N GLY A 98 20.278 -1.717 79.537 1.00 0.00 N ATOM 1516 CA GLY A 98 20.044 -0.419 80.221 1.00 0.00 C ATOM 1517 C GLY A 98 20.796 0.635 79.399 1.00 0.00 C ATOM 1518 O GLY A 98 21.532 0.279 78.500 1.00 0.00 O ATOM 0 H GLY A 98 20.917 -2.360 80.004 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.979 -0.190 80.269 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.410 -0.447 81.247 1.00 0.00 H new ATOM 1522 N PRO A 99 20.598 1.895 79.692 1.00 0.00 N ATOM 1523 CA PRO A 99 21.265 2.970 78.934 1.00 0.00 C ATOM 1524 C PRO A 99 22.733 2.625 78.757 1.00 0.00 C ATOM 1525 O PRO A 99 23.183 2.291 77.681 1.00 0.00 O ATOM 1526 CB PRO A 99 21.066 4.236 79.795 1.00 0.00 C ATOM 1527 CG PRO A 99 20.137 3.840 80.982 1.00 0.00 C ATOM 1528 CD PRO A 99 19.738 2.357 80.791 1.00 0.00 C ATOM 0 HA PRO A 99 20.860 3.113 77.932 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.023 4.607 80.162 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.619 5.036 79.206 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.651 3.978 81.933 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.251 4.475 81.003 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.906 1.778 81.699 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.682 2.257 80.540 1.00 0.00 H new ATOM 1536 N ASP A 100 23.476 2.694 79.810 1.00 0.00 N ATOM 1537 CA ASP A 100 24.912 2.356 79.713 1.00 0.00 C ATOM 1538 C ASP A 100 25.436 1.986 81.098 1.00 0.00 C ATOM 1539 O ASP A 100 24.919 1.106 81.766 1.00 0.00 O ATOM 1540 CB ASP A 100 25.685 3.562 79.168 1.00 0.00 C ATOM 1541 CG ASP A 100 27.100 3.127 78.782 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.242 2.496 77.747 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.018 3.433 79.526 1.00 0.00 O ATOM 0 H ASP A 100 23.153 2.970 80.737 1.00 0.00 H new ATOM 0 HA ASP A 100 25.047 1.511 79.038 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.171 3.976 78.301 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.727 4.350 79.919 1.00 0.00 H new ATOM 1548 N GLY A 101 26.459 2.652 81.528 1.00 0.00 N ATOM 1549 CA GLY A 101 27.039 2.347 82.856 1.00 0.00 C ATOM 1550 C GLY A 101 25.995 2.569 83.948 1.00 0.00 C ATOM 1551 O GLY A 101 26.268 2.375 85.122 1.00 0.00 O ATOM 0 H GLY A 101 26.923 3.401 81.014 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.388 1.315 82.881 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.907 2.982 83.037 1.00 0.00 H new ATOM 1555 N LEU A 102 24.780 2.941 83.601 1.00 0.00 N ATOM 1556 CA LEU A 102 23.767 3.142 84.658 1.00 0.00 C ATOM 1557 C LEU A 102 23.769 1.950 85.523 1.00 0.00 C ATOM 1558 O LEU A 102 24.245 2.025 86.638 1.00 0.00 O ATOM 1559 CB LEU A 102 22.360 3.358 84.058 1.00 0.00 C ATOM 1560 CG LEU A 102 21.290 3.762 85.120 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.920 3.838 84.453 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.211 2.763 86.293 1.00 0.00 C ATOM 0 H LEU A 102 24.463 3.108 82.646 1.00 0.00 H new ATOM 0 HA LEU A 102 24.015 4.036 85.231 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.414 4.133 83.294 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.040 2.442 83.561 1.00 0.00 H new ATOM 0 HG LEU A 102 21.588 4.730 85.524 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.170 4.120 85.192 1.00 0.00 H new ATOM 0 HD12 LEU A 102 19.943 4.583 83.658 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.666 2.865 84.032 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.451 3.093 87.001 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.949 1.776 85.913 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.178 2.714 86.795 1.00 0.00 H new ATOM 1574 N THR A 103 23.198 0.870 85.060 1.00 0.00 N ATOM 1575 CA THR A 103 23.095 -0.330 85.918 1.00 0.00 C ATOM 1576 C THR A 103 23.123 0.142 87.362 1.00 0.00 C ATOM 1577 O THR A 103 22.254 0.849 87.833 1.00 0.00 O ATOM 1578 CB THR A 103 24.266 -1.278 85.637 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.417 -2.177 86.724 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.555 -0.491 85.461 1.00 0.00 C ATOM 0 H THR A 103 22.801 0.774 84.125 1.00 0.00 H new ATOM 0 HA THR A 103 22.173 -0.875 85.716 1.00 0.00 H new ATOM 0 HB THR A 103 24.057 -1.830 84.721 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.370 -2.348 86.877 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.377 -1.179 85.262 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.449 0.199 84.624 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.765 0.072 86.371 1.00 0.00 H new ATOM 1588 N ALA A 104 24.126 -0.175 88.037 1.00 0.00 N ATOM 1589 CA ALA A 104 24.233 0.266 89.440 1.00 0.00 C ATOM 1590 C ALA A 104 24.975 1.603 89.589 1.00 0.00 C ATOM 1591 O ALA A 104 24.782 2.314 90.556 1.00 0.00 O ATOM 1592 CB ALA A 104 25.006 -0.804 90.134 1.00 0.00 C ATOM 0 H ALA A 104 24.908 -0.732 87.694 1.00 0.00 H new ATOM 0 HA ALA A 104 23.238 0.423 89.857 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.125 -0.543 91.186 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.471 -1.750 90.053 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.988 -0.902 89.671 1.00 0.00 H new ATOM 1598 N LEU A 105 25.856 1.931 88.696 1.00 0.00 N ATOM 1599 CA LEU A 105 26.625 3.182 88.868 1.00 0.00 C ATOM 1600 C LEU A 105 25.718 4.392 89.044 1.00 0.00 C ATOM 1601 O LEU A 105 25.784 5.084 90.041 1.00 0.00 O ATOM 1602 CB LEU A 105 27.485 3.437 87.643 1.00 0.00 C ATOM 1603 CG LEU A 105 28.216 2.182 87.224 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.173 2.548 86.094 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.996 1.626 88.409 1.00 0.00 C ATOM 0 H LEU A 105 26.076 1.390 87.859 1.00 0.00 H new ATOM 0 HA LEU A 105 27.234 3.053 89.763 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.860 3.789 86.822 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.205 4.227 87.857 1.00 0.00 H new ATOM 0 HG LEU A 105 27.510 1.423 86.886 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.714 1.658 85.773 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.607 2.952 85.254 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.883 3.296 86.446 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.523 0.721 88.106 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.717 2.368 88.750 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.307 1.390 89.220 1.00 0.00 H new ATOM 1617 N GLU A 106 24.930 4.712 88.055 1.00 0.00 N ATOM 1618 CA GLU A 106 24.109 5.939 88.159 1.00 0.00 C ATOM 1619 C GLU A 106 22.825 5.661 88.932 1.00 0.00 C ATOM 1620 O GLU A 106 22.035 6.549 89.179 1.00 0.00 O ATOM 1621 CB GLU A 106 23.775 6.436 86.754 1.00 0.00 C ATOM 1622 CG GLU A 106 25.059 6.597 85.939 1.00 0.00 C ATOM 1623 CD GLU A 106 25.916 7.716 86.536 1.00 0.00 C ATOM 1624 OE1 GLU A 106 25.348 8.631 87.110 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.127 7.641 86.408 1.00 0.00 O ATOM 0 H GLU A 106 24.823 4.181 87.191 1.00 0.00 H new ATOM 0 HA GLU A 106 24.672 6.702 88.696 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.106 5.732 86.259 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.249 7.389 86.812 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.618 5.661 85.935 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.816 6.827 84.902 1.00 0.00 H new ATOM 1632 N ALA A 107 22.599 4.436 89.305 1.00 0.00 N ATOM 1633 CA ALA A 107 21.350 4.120 90.047 1.00 0.00 C ATOM 1634 C ALA A 107 21.425 4.506 91.535 1.00 0.00 C ATOM 1635 O ALA A 107 20.477 5.043 92.076 1.00 0.00 O ATOM 1636 CB ALA A 107 21.099 2.622 89.970 1.00 0.00 C ATOM 0 H ALA A 107 23.219 3.645 89.131 1.00 0.00 H new ATOM 0 HA ALA A 107 20.549 4.697 89.585 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.185 2.378 90.511 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.994 2.324 88.927 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.938 2.089 90.417 1.00 0.00 H new ATOM 1642 N THR A 108 22.486 4.180 92.234 1.00 0.00 N ATOM 1643 CA THR A 108 22.506 4.473 93.696 1.00 0.00 C ATOM 1644 C THR A 108 23.921 4.608 94.275 1.00 0.00 C ATOM 1645 O THR A 108 24.879 4.931 93.601 1.00 0.00 O ATOM 1646 CB THR A 108 21.855 3.276 94.374 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.795 3.481 95.780 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.700 2.033 94.063 1.00 0.00 C ATOM 0 H THR A 108 23.323 3.732 91.861 1.00 0.00 H new ATOM 0 HA THR A 108 21.996 5.422 93.863 1.00 0.00 H new ATOM 0 HB THR A 108 20.838 3.145 94.004 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.115 2.892 96.168 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.253 1.160 94.539 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.737 1.879 92.985 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.711 2.176 94.444 1.00 0.00 H new ATOM 1656 N ASP A 109 24.020 4.331 95.556 1.00 0.00 N ATOM 1657 CA ASP A 109 25.309 4.387 96.287 1.00 0.00 C ATOM 1658 C ASP A 109 25.300 3.324 97.388 1.00 0.00 C ATOM 1659 O ASP A 109 26.280 3.132 98.081 1.00 0.00 O ATOM 1660 CB ASP A 109 25.492 5.777 96.901 1.00 0.00 C ATOM 1661 CG ASP A 109 26.884 5.882 97.524 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.838 5.512 96.861 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.972 6.334 98.652 1.00 0.00 O ATOM 0 H ASP A 109 23.226 4.060 96.136 1.00 0.00 H new ATOM 0 HA ASP A 109 26.134 4.195 95.601 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.366 6.543 96.136 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.729 5.954 97.659 1.00 0.00 H new ATOM 1668 N ASN A 110 24.214 2.601 97.537 1.00 0.00 N ATOM 1669 CA ASN A 110 24.189 1.527 98.574 1.00 0.00 C ATOM 1670 C ASN A 110 24.906 0.316 97.977 1.00 0.00 C ATOM 1671 O ASN A 110 24.683 -0.052 96.850 1.00 0.00 O ATOM 1672 CB ASN A 110 22.750 1.188 98.981 1.00 0.00 C ATOM 1673 CG ASN A 110 22.013 0.517 97.834 1.00 0.00 C ATOM 1674 OD1 ASN A 110 20.999 -0.119 98.043 1.00 0.00 O ATOM 1675 ND2 ASN A 110 22.481 0.642 96.629 1.00 0.00 N ATOM 0 H ASN A 110 23.358 2.708 96.993 1.00 0.00 H new ATOM 0 HA ASN A 110 24.692 1.853 99.484 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.758 0.530 99.850 1.00 0.00 H new ATOM 0 HB3 ASN A 110 22.226 2.097 99.275 1.00 0.00 H new ATOM 0 HD21 ASN A 110 21.996 0.204 95.846 1.00 0.00 H new ATOM 0 HD22 ASN A 110 23.333 1.178 96.466 1.00 0.00 H new ATOM 1682 N GLN A 111 25.813 -0.254 98.700 1.00 0.00 N ATOM 1683 CA GLN A 111 26.625 -1.384 98.155 1.00 0.00 C ATOM 1684 C GLN A 111 25.825 -2.698 97.983 1.00 0.00 C ATOM 1685 O GLN A 111 26.384 -3.721 97.645 1.00 0.00 O ATOM 1686 CB GLN A 111 27.819 -1.553 99.092 1.00 0.00 C ATOM 1687 CG GLN A 111 28.551 -2.876 98.827 1.00 0.00 C ATOM 1688 CD GLN A 111 29.966 -2.797 99.405 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.756 -1.974 98.992 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.322 -3.624 100.351 1.00 0.00 N ATOM 0 H GLN A 111 26.037 0.011 99.659 1.00 0.00 H new ATOM 0 HA GLN A 111 26.950 -1.146 97.142 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.509 -0.720 98.959 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.479 -1.524 100.127 1.00 0.00 H new ATOM 0 HG2 GLN A 111 28.006 -3.703 99.281 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.594 -3.073 97.756 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.659 -4.316 100.699 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.263 -3.577 100.742 1.00 0.00 H new ATOM 1699 N ALA A 112 24.527 -2.686 98.137 1.00 0.00 N ATOM 1700 CA ALA A 112 23.750 -3.946 97.910 1.00 0.00 C ATOM 1701 C ALA A 112 23.535 -4.082 96.402 1.00 0.00 C ATOM 1702 O ALA A 112 23.642 -5.139 95.802 1.00 0.00 O ATOM 1703 CB ALA A 112 22.392 -3.854 98.614 1.00 0.00 C ATOM 0 H ALA A 112 23.975 -1.872 98.406 1.00 0.00 H new ATOM 0 HA ALA A 112 24.288 -4.807 98.307 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.832 -4.774 98.445 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.546 -3.714 99.684 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.831 -3.009 98.214 1.00 0.00 H new ATOM 1709 N ILE A 113 23.280 -2.980 95.800 1.00 0.00 N ATOM 1710 CA ILE A 113 23.085 -2.920 94.331 1.00 0.00 C ATOM 1711 C ILE A 113 24.435 -3.116 93.694 1.00 0.00 C ATOM 1712 O ILE A 113 24.684 -4.035 92.928 1.00 0.00 O ATOM 1713 CB ILE A 113 22.579 -1.502 93.998 1.00 0.00 C ATOM 1714 CG1 ILE A 113 21.060 -1.405 94.165 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.949 -1.094 92.569 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.668 -1.318 95.641 1.00 0.00 C ATOM 0 H ILE A 113 23.193 -2.080 96.273 1.00 0.00 H new ATOM 0 HA ILE A 113 22.381 -3.673 93.978 1.00 0.00 H new ATOM 0 HB ILE A 113 23.065 -0.823 94.698 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.689 -0.527 93.636 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.586 -2.275 93.711 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.576 -0.089 92.369 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.033 -1.108 92.456 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.501 -1.794 91.863 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.583 -1.250 95.726 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.018 -2.208 96.163 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.123 -0.433 96.087 1.00 0.00 H new ATOM 1728 N LYS A 114 25.310 -2.221 93.995 1.00 0.00 N ATOM 1729 CA LYS A 114 26.644 -2.285 93.413 1.00 0.00 C ATOM 1730 C LYS A 114 27.217 -3.667 93.728 1.00 0.00 C ATOM 1731 O LYS A 114 28.208 -4.097 93.172 1.00 0.00 O ATOM 1732 CB LYS A 114 27.489 -1.121 93.953 1.00 0.00 C ATOM 1733 CG LYS A 114 26.547 0.064 94.287 1.00 0.00 C ATOM 1734 CD LYS A 114 27.256 1.417 94.160 1.00 0.00 C ATOM 1735 CE LYS A 114 27.318 1.898 92.688 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.744 1.990 92.263 1.00 0.00 N ATOM 0 H LYS A 114 25.149 -1.439 94.630 1.00 0.00 H new ATOM 0 HA LYS A 114 26.634 -2.169 92.329 1.00 0.00 H new ATOM 0 HB2 LYS A 114 28.035 -1.432 94.843 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.230 -0.818 93.214 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.686 0.042 93.619 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.166 -0.051 95.302 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.733 2.159 94.763 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.267 1.336 94.559 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.778 1.205 92.043 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.833 2.869 92.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.792 2.313 91.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 29.245 2.667 92.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 29.191 1.055 92.344 1.00 0.00 H new ATOM 1750 N ALA A 115 26.529 -4.410 94.567 1.00 0.00 N ATOM 1751 CA ALA A 115 26.965 -5.787 94.834 1.00 0.00 C ATOM 1752 C ALA A 115 26.901 -6.477 93.480 1.00 0.00 C ATOM 1753 O ALA A 115 27.762 -7.247 93.118 1.00 0.00 O ATOM 1754 CB ALA A 115 26.023 -6.470 95.832 1.00 0.00 C ATOM 0 H ALA A 115 25.692 -4.110 95.067 1.00 0.00 H new ATOM 0 HA ALA A 115 27.961 -5.827 95.274 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.364 -7.489 96.016 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.021 -5.914 96.769 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.013 -6.494 95.422 1.00 0.00 H new ATOM 1760 N LEU A 116 25.903 -6.148 92.686 1.00 0.00 N ATOM 1761 CA LEU A 116 25.861 -6.748 91.327 1.00 0.00 C ATOM 1762 C LEU A 116 27.031 -6.204 90.512 1.00 0.00 C ATOM 1763 O LEU A 116 27.340 -6.706 89.449 1.00 0.00 O ATOM 1764 CB LEU A 116 24.527 -6.410 90.610 1.00 0.00 C ATOM 1765 CG LEU A 116 23.483 -7.551 90.730 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.306 -7.261 89.771 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.105 -8.920 90.358 1.00 0.00 C ATOM 0 H LEU A 116 25.142 -5.509 92.918 1.00 0.00 H new ATOM 0 HA LEU A 116 25.933 -7.832 91.417 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.112 -5.496 91.034 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.724 -6.212 89.557 1.00 0.00 H new ATOM 0 HG LEU A 116 23.138 -7.594 91.763 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.568 -8.059 89.850 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.844 -6.311 90.039 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.676 -7.208 88.747 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.350 -9.700 90.451 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.468 -8.888 89.331 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.936 -9.137 91.030 1.00 0.00 H new ATOM 1779 N LEU A 117 27.704 -5.203 90.995 1.00 0.00 N ATOM 1780 CA LEU A 117 28.862 -4.675 90.226 1.00 0.00 C ATOM 1781 C LEU A 117 30.026 -5.623 90.468 1.00 0.00 C ATOM 1782 O LEU A 117 31.127 -5.432 89.997 1.00 0.00 O ATOM 1783 CB LEU A 117 29.210 -3.249 90.715 1.00 0.00 C ATOM 1784 CG LEU A 117 29.485 -2.321 89.531 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.680 -2.859 88.734 1.00 0.00 C ATOM 1786 CD2 LEU A 117 28.219 -2.225 88.640 1.00 0.00 C ATOM 0 H LEU A 117 27.507 -4.731 91.878 1.00 0.00 H new ATOM 0 HA LEU A 117 28.635 -4.614 89.162 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.387 -2.853 91.310 1.00 0.00 H new ATOM 0 HB3 LEU A 117 30.084 -3.286 91.365 1.00 0.00 H new ATOM 0 HG LEU A 117 29.727 -1.320 89.888 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.880 -2.200 87.889 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.558 -2.899 89.378 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.452 -3.860 88.368 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.417 -1.563 87.797 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.959 -3.217 88.270 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.391 -1.828 89.226 1.00 0.00 H new ATOM 1798 N GLN A 118 29.768 -6.647 91.209 1.00 0.00 N ATOM 1799 CA GLN A 118 30.824 -7.632 91.514 1.00 0.00 C ATOM 1800 C GLN A 118 31.165 -8.426 90.248 1.00 0.00 C ATOM 1801 O GLN A 118 30.537 -8.177 89.231 1.00 0.00 O ATOM 1802 CB GLN A 118 30.317 -8.583 92.607 1.00 0.00 C ATOM 1803 CG GLN A 118 29.215 -9.503 92.047 1.00 0.00 C ATOM 1804 CD GLN A 118 29.845 -10.710 91.347 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.892 -10.769 90.136 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.335 -11.678 92.067 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.048 -9.266 90.317 1.00 0.00 O ATOM 0 H GLN A 118 28.858 -6.848 91.623 1.00 0.00 H new ATOM 0 HA GLN A 118 31.721 -7.120 91.863 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.143 -9.184 92.988 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.928 -8.008 93.447 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.565 -9.839 92.855 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.591 -8.950 91.345 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.295 -11.627 93.085 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.759 -12.487 91.613 1.00 0.00 H new