USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=28 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 34:sc= 0.456 USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -17.7! C(o=-22!,f=-17!) USER MOD Set 2.1: A 95 THR OG1 : rot 32:sc= -0.436 USER MOD Set 2.2: A 103 THR OG1 : rot 85:sc= -0.614! USER MOD Set 3.1: A 40 HIS :FLIP no HE2:sc= -1.07 F(o=-4.1!,f=-2.9) USER MOD Set 3.2: A 74 SER OG : rot 66:sc= -1.8! USER MOD Set 4.1: A 37 LYS NZ :NH3+ 175:sc= -1.42! (180deg=-0.86) USER MOD Set 4.2: A 67 HIS :FLIP no HD1:sc= -0.0077 F(o=-3.4!,f=-1.4) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 158:sc= -0.27 (180deg=-1.72!) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.149) USER MOD Single : A 12 ASN : amide:sc= -0.543 K(o=-0.54,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 1.02 (180deg=0.345) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.94! C(o=-5.4!,f=-1.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 41 TYR OH : rot 133:sc= 0.524 USER MOD Single : A 45 CYS SG : rot 27:sc= 0.0589 USER MOD Single : A 47 GLN : amide:sc= -0.589 K(o=-0.59,f=-2.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.768! C(o=-12!,f=-0.77!) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= -0.0279 (180deg=-0.514) USER MOD Single : A 68 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-6.2!) USER MOD Single : A 70 THR OG1 : rot -162:sc= -10.8! USER MOD Single : A 77 TYR OH : rot -130:sc= -0.129 USER MOD Single : A 80 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-6.5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -3.24! USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.178 (180deg=-0.922) USER MOD Single : A 89 SER OG : rot 14:sc= 0.0998! USER MOD Single : A 90 LYS NZ :NH3+ -156:sc= -3.66! (180deg=-6.13!) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= -1.5 (180deg=-3.84!) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0165) USER MOD Single : A 111 GLN : amide:sc=-0.00235 K(o=-0.0024,f=-1.7!) USER MOD Single : A 114 LYS NZ :NH3+ 154:sc= -1.23 (180deg=-2.21) USER MOD Single : A 118 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.517 -7.777 86.929 1.00 0.00 N ATOM 44 CA LYS A 4 -6.412 -7.617 88.404 1.00 0.00 C ATOM 45 C LYS A 4 -5.964 -8.932 89.050 1.00 0.00 C ATOM 46 O LYS A 4 -4.861 -9.046 89.539 1.00 0.00 O ATOM 47 CB LYS A 4 -7.775 -7.203 88.958 1.00 0.00 C ATOM 48 CG LYS A 4 -8.101 -5.782 88.491 1.00 0.00 C ATOM 49 CD LYS A 4 -9.367 -5.287 89.193 1.00 0.00 C ATOM 50 CE LYS A 4 -9.553 -3.795 88.912 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.866 -3.348 89.454 1.00 0.00 N ATOM 0 HA LYS A 4 -5.672 -6.850 88.633 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.544 -7.896 88.617 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.766 -7.247 90.047 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.267 -5.116 88.712 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.243 -5.767 87.410 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.234 -5.846 88.840 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.292 -5.460 90.267 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.745 -3.224 89.370 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.507 -3.608 87.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.993 -2.334 89.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.631 -3.885 88.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.892 -3.513 90.480 1.00 0.00 H new ATOM 65 N GLU A 5 -6.811 -9.922 89.067 1.00 0.00 N ATOM 66 CA GLU A 5 -6.431 -11.222 89.697 1.00 0.00 C ATOM 67 C GLU A 5 -5.033 -11.655 89.233 1.00 0.00 C ATOM 68 O GLU A 5 -4.161 -11.928 90.034 1.00 0.00 O ATOM 69 CB GLU A 5 -7.452 -12.292 89.302 1.00 0.00 C ATOM 70 CG GLU A 5 -7.228 -13.548 90.144 1.00 0.00 C ATOM 71 CD GLU A 5 -8.259 -14.611 89.761 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.424 -14.413 90.064 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.867 -15.603 89.170 1.00 0.00 O ATOM 0 H GLU A 5 -7.751 -9.890 88.672 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.419 -11.100 90.780 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.464 -11.917 89.452 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.354 -12.529 88.243 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.220 -13.930 89.985 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.314 -13.308 91.204 1.00 0.00 H new ATOM 80 N PHE A 6 -4.818 -11.724 87.949 1.00 0.00 N ATOM 81 CA PHE A 6 -3.483 -12.142 87.421 1.00 0.00 C ATOM 82 C PHE A 6 -2.422 -11.148 87.914 1.00 0.00 C ATOM 83 O PHE A 6 -1.481 -11.501 88.599 1.00 0.00 O ATOM 84 CB PHE A 6 -3.554 -12.109 85.886 1.00 0.00 C ATOM 85 CG PHE A 6 -2.541 -13.046 85.255 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.274 -13.242 85.825 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.878 -13.710 84.069 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.356 -14.103 85.211 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.960 -14.567 83.456 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.698 -14.763 84.026 1.00 0.00 C ATOM 0 H PHE A 6 -5.513 -11.508 87.235 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.221 -13.143 87.763 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.557 -12.387 85.562 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.376 -11.092 85.536 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.007 -12.729 86.737 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.851 -13.559 83.626 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.617 -14.258 85.653 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.225 -15.078 82.542 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.012 -15.424 83.551 1.00 0.00 H new ATOM 100 N MET A 7 -2.578 -9.907 87.553 1.00 0.00 N ATOM 101 CA MET A 7 -1.605 -8.850 87.957 1.00 0.00 C ATOM 102 C MET A 7 -1.489 -8.742 89.487 1.00 0.00 C ATOM 103 O MET A 7 -0.409 -8.765 90.039 1.00 0.00 O ATOM 104 CB MET A 7 -2.103 -7.512 87.408 1.00 0.00 C ATOM 105 CG MET A 7 -1.070 -6.415 87.668 1.00 0.00 C ATOM 106 SD MET A 7 -1.369 -5.029 86.541 1.00 0.00 S ATOM 107 CE MET A 7 -3.165 -4.929 86.756 1.00 0.00 C ATOM 0 H MET A 7 -3.354 -9.571 86.983 1.00 0.00 H new ATOM 0 HA MET A 7 -0.623 -9.108 87.560 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.291 -7.598 86.338 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.050 -7.248 87.878 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.134 -6.077 88.702 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.063 -6.806 87.522 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.510 -3.933 86.477 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.649 -5.672 86.122 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.418 -5.122 87.799 1.00 0.00 H new ATOM 117 N TRP A 8 -2.593 -8.587 90.166 1.00 0.00 N ATOM 118 CA TRP A 8 -2.558 -8.431 91.652 1.00 0.00 C ATOM 119 C TRP A 8 -1.667 -9.490 92.307 1.00 0.00 C ATOM 120 O TRP A 8 -1.364 -9.410 93.484 1.00 0.00 O ATOM 121 CB TRP A 8 -3.978 -8.547 92.203 1.00 0.00 C ATOM 122 CG TRP A 8 -3.986 -8.123 93.635 1.00 0.00 C ATOM 123 CD1 TRP A 8 -3.803 -8.950 94.686 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.179 -6.789 94.189 1.00 0.00 C ATOM 125 NE1 TRP A 8 -3.872 -8.212 95.853 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.103 -6.874 95.600 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.413 -5.527 93.612 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.252 -5.747 96.409 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.563 -4.390 94.424 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.482 -4.501 95.820 1.00 0.00 C ATOM 0 H TRP A 8 -3.526 -8.561 89.754 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.141 -7.451 91.883 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.658 -7.923 91.623 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.333 -9.574 92.113 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.631 -10.014 94.625 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.765 -8.607 96.787 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.478 -5.432 92.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.190 -5.837 97.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.742 -3.426 93.971 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.597 -3.624 96.439 1.00 0.00 H new ATOM 141 N ALA A 9 -1.239 -10.479 91.573 1.00 0.00 N ATOM 142 CA ALA A 9 -0.367 -11.523 92.182 1.00 0.00 C ATOM 143 C ALA A 9 1.091 -11.057 92.137 1.00 0.00 C ATOM 144 O ALA A 9 1.755 -10.972 93.150 1.00 0.00 O ATOM 145 CB ALA A 9 -0.517 -12.840 91.421 1.00 0.00 C ATOM 0 H ALA A 9 -1.453 -10.610 90.584 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.665 -11.682 93.218 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.124 -13.597 91.873 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.555 -13.170 91.466 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.227 -12.694 90.380 1.00 0.00 H new ATOM 151 N LEU A 10 1.583 -10.730 90.972 1.00 0.00 N ATOM 152 CA LEU A 10 2.987 -10.235 90.860 1.00 0.00 C ATOM 153 C LEU A 10 3.165 -9.104 91.872 1.00 0.00 C ATOM 154 O LEU A 10 4.258 -8.639 92.135 1.00 0.00 O ATOM 155 CB LEU A 10 3.223 -9.664 89.452 1.00 0.00 C ATOM 156 CG LEU A 10 2.978 -10.732 88.371 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.546 -10.615 87.830 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.954 -10.511 87.213 1.00 0.00 C ATOM 0 H LEU A 10 1.072 -10.784 90.091 1.00 0.00 H new ATOM 0 HA LEU A 10 3.687 -11.049 91.046 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.560 -8.815 89.285 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.244 -9.291 89.374 1.00 0.00 H new ATOM 0 HG LEU A 10 3.125 -11.719 88.810 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.383 -11.375 87.066 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.836 -10.761 88.644 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.401 -9.626 87.395 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.784 -11.265 86.445 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.797 -9.519 86.789 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.977 -10.591 87.580 1.00 0.00 H new ATOM 170 N LYS A 11 2.067 -8.642 92.403 1.00 0.00 N ATOM 171 CA LYS A 11 2.081 -7.507 93.369 1.00 0.00 C ATOM 172 C LYS A 11 2.207 -7.982 94.824 1.00 0.00 C ATOM 173 O LYS A 11 3.213 -7.769 95.472 1.00 0.00 O ATOM 174 CB LYS A 11 0.763 -6.749 93.201 1.00 0.00 C ATOM 175 CG LYS A 11 0.540 -5.800 94.374 1.00 0.00 C ATOM 176 CD LYS A 11 -0.527 -4.785 93.973 1.00 0.00 C ATOM 177 CE LYS A 11 -1.042 -4.067 95.214 1.00 0.00 C ATOM 178 NZ LYS A 11 0.072 -3.303 95.837 1.00 0.00 N ATOM 0 H LYS A 11 1.138 -9.013 92.203 1.00 0.00 H new ATOM 0 HA LYS A 11 2.946 -6.877 93.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.777 -6.186 92.268 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.064 -7.456 93.135 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.223 -6.355 95.257 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.469 -5.292 94.633 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.111 -4.064 93.270 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.349 -5.288 93.464 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.856 -3.393 94.947 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.446 -4.788 95.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.310 -2.656 96.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.738 -3.964 96.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.568 -2.754 95.106 1.00 0.00 H new ATOM 192 N ASN A 12 1.173 -8.579 95.353 1.00 0.00 N ATOM 193 CA ASN A 12 1.201 -9.015 96.780 1.00 0.00 C ATOM 194 C ASN A 12 1.921 -10.353 96.933 1.00 0.00 C ATOM 195 O ASN A 12 2.015 -10.889 98.019 1.00 0.00 O ATOM 196 CB ASN A 12 -0.237 -9.156 97.275 1.00 0.00 C ATOM 197 CG ASN A 12 -0.238 -9.379 98.787 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.269 -10.503 99.247 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.207 -8.347 99.585 1.00 0.00 N ATOM 0 H ASN A 12 0.306 -8.785 94.856 1.00 0.00 H new ATOM 0 HA ASN A 12 1.739 -8.270 97.366 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.807 -8.260 97.029 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.725 -9.992 96.773 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.209 -8.484 100.596 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.181 -7.404 99.198 1.00 0.00 H new ATOM 206 N GLY A 13 2.450 -10.893 95.876 1.00 0.00 N ATOM 207 CA GLY A 13 3.177 -12.178 96.002 1.00 0.00 C ATOM 208 C GLY A 13 2.217 -13.367 95.958 1.00 0.00 C ATOM 209 O GLY A 13 2.569 -14.455 96.368 1.00 0.00 O ATOM 0 H GLY A 13 2.410 -10.502 94.935 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.906 -12.266 95.196 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.734 -12.192 96.939 1.00 0.00 H new ATOM 213 N ASP A 14 1.025 -13.198 95.454 1.00 0.00 N ATOM 214 CA ASP A 14 0.110 -14.363 95.376 1.00 0.00 C ATOM 215 C ASP A 14 0.684 -15.310 94.336 1.00 0.00 C ATOM 216 O ASP A 14 0.037 -15.708 93.389 1.00 0.00 O ATOM 217 CB ASP A 14 -1.286 -13.926 94.964 1.00 0.00 C ATOM 218 CG ASP A 14 -1.682 -12.664 95.732 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.085 -12.413 96.766 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.579 -11.975 95.277 1.00 0.00 O ATOM 0 H ASP A 14 0.653 -12.317 95.099 1.00 0.00 H new ATOM 0 HA ASP A 14 0.028 -14.847 96.349 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.315 -13.734 93.891 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.001 -14.724 95.165 1.00 0.00 H new ATOM 225 N LEU A 15 1.923 -15.634 94.520 1.00 0.00 N ATOM 226 CA LEU A 15 2.649 -16.524 93.591 1.00 0.00 C ATOM 227 C LEU A 15 1.772 -17.726 93.225 1.00 0.00 C ATOM 228 O LEU A 15 1.869 -18.280 92.152 1.00 0.00 O ATOM 229 CB LEU A 15 3.938 -16.961 94.307 1.00 0.00 C ATOM 230 CG LEU A 15 4.801 -17.861 93.420 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.206 -19.269 93.365 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.899 -17.276 92.005 1.00 0.00 C ATOM 0 H LEU A 15 2.483 -15.305 95.307 1.00 0.00 H new ATOM 0 HA LEU A 15 2.895 -16.016 92.659 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.510 -16.080 94.597 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.683 -17.491 95.224 1.00 0.00 H new ATOM 0 HG LEU A 15 5.803 -17.916 93.846 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.827 -19.902 92.731 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.168 -19.688 94.371 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.198 -19.222 92.954 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.516 -17.926 91.384 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.901 -17.201 91.572 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.350 -16.285 92.052 1.00 0.00 H new ATOM 244 N ASP A 16 0.906 -18.123 94.105 1.00 0.00 N ATOM 245 CA ASP A 16 0.011 -19.270 93.813 1.00 0.00 C ATOM 246 C ASP A 16 -0.943 -18.899 92.670 1.00 0.00 C ATOM 247 O ASP A 16 -1.414 -19.747 91.937 1.00 0.00 O ATOM 248 CB ASP A 16 -0.799 -19.587 95.066 1.00 0.00 C ATOM 249 CG ASP A 16 0.152 -19.884 96.228 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.775 -18.952 96.709 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.242 -21.037 96.615 1.00 0.00 O ATOM 0 H ASP A 16 0.778 -17.699 95.024 1.00 0.00 H new ATOM 0 HA ASP A 16 0.602 -20.138 93.519 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.445 -18.745 95.317 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.448 -20.444 94.885 1.00 0.00 H new ATOM 256 N GLU A 17 -1.246 -17.635 92.534 1.00 0.00 N ATOM 257 CA GLU A 17 -2.190 -17.190 91.459 1.00 0.00 C ATOM 258 C GLU A 17 -1.479 -17.108 90.101 1.00 0.00 C ATOM 259 O GLU A 17 -1.972 -17.606 89.109 1.00 0.00 O ATOM 260 CB GLU A 17 -2.754 -15.817 91.822 1.00 0.00 C ATOM 261 CG GLU A 17 -3.801 -15.967 92.928 1.00 0.00 C ATOM 262 CD GLU A 17 -4.515 -14.632 93.137 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.987 -13.625 92.696 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.580 -14.639 93.733 1.00 0.00 O ATOM 0 H GLU A 17 -0.880 -16.886 93.122 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.996 -17.919 91.381 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.951 -15.159 92.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.203 -15.353 90.943 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.522 -16.739 92.659 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.324 -16.286 93.855 1.00 0.00 H new ATOM 271 N VAL A 18 -0.329 -16.492 90.035 1.00 0.00 N ATOM 272 CA VAL A 18 0.382 -16.405 88.722 1.00 0.00 C ATOM 273 C VAL A 18 0.780 -17.819 88.311 1.00 0.00 C ATOM 274 O VAL A 18 0.846 -18.151 87.144 1.00 0.00 O ATOM 275 CB VAL A 18 1.649 -15.550 88.874 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.353 -14.080 88.533 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.150 -15.652 90.316 1.00 0.00 C ATOM 0 H VAL A 18 0.146 -16.050 90.822 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.265 -15.951 87.972 1.00 0.00 H new ATOM 0 HB VAL A 18 2.411 -15.918 88.187 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.262 -13.490 88.646 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.000 -14.009 87.504 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.586 -13.698 89.207 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.050 -15.048 90.432 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.379 -15.289 90.996 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.379 -16.692 90.549 1.00 0.00 H new ATOM 287 N LYS A 19 1.036 -18.646 89.286 1.00 0.00 N ATOM 288 CA LYS A 19 1.425 -20.057 89.025 1.00 0.00 C ATOM 289 C LYS A 19 0.298 -20.759 88.262 1.00 0.00 C ATOM 290 O LYS A 19 0.528 -21.638 87.456 1.00 0.00 O ATOM 291 CB LYS A 19 1.651 -20.741 90.384 1.00 0.00 C ATOM 292 CG LYS A 19 2.089 -22.204 90.214 1.00 0.00 C ATOM 293 CD LYS A 19 3.552 -22.294 89.752 1.00 0.00 C ATOM 294 CE LYS A 19 4.484 -21.537 90.713 1.00 0.00 C ATOM 295 NZ LYS A 19 5.816 -22.204 90.726 1.00 0.00 N ATOM 0 H LYS A 19 0.990 -18.396 90.274 1.00 0.00 H new ATOM 0 HA LYS A 19 2.334 -20.106 88.426 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.410 -20.196 90.945 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.732 -20.701 90.969 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.970 -22.735 91.159 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.444 -22.698 89.487 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.855 -23.340 89.695 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.646 -21.880 88.748 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.586 -20.499 90.398 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.060 -21.525 91.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.290 -22.016 91.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.692 -23.230 90.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.398 -21.833 89.948 1.00 0.00 H new ATOM 309 N ASP A 20 -0.919 -20.376 88.522 1.00 0.00 N ATOM 310 CA ASP A 20 -2.082 -21.010 87.835 1.00 0.00 C ATOM 311 C ASP A 20 -2.089 -20.649 86.343 1.00 0.00 C ATOM 312 O ASP A 20 -2.170 -21.510 85.490 1.00 0.00 O ATOM 313 CB ASP A 20 -3.381 -20.515 88.477 1.00 0.00 C ATOM 314 CG ASP A 20 -4.569 -21.270 87.874 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.537 -22.489 87.883 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.489 -20.615 87.414 1.00 0.00 O ATOM 0 H ASP A 20 -1.163 -19.643 89.188 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.001 -22.092 87.937 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.348 -20.669 89.555 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.496 -19.444 88.312 1.00 0.00 H new ATOM 321 N TYR A 21 -2.023 -19.387 86.018 1.00 0.00 N ATOM 322 CA TYR A 21 -2.043 -18.991 84.578 1.00 0.00 C ATOM 323 C TYR A 21 -0.825 -19.579 83.862 1.00 0.00 C ATOM 324 O TYR A 21 -0.938 -20.205 82.828 1.00 0.00 O ATOM 325 CB TYR A 21 -2.006 -17.463 84.470 1.00 0.00 C ATOM 326 CG TYR A 21 -3.360 -16.899 84.832 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.681 -16.658 86.173 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.294 -16.620 83.827 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.937 -16.138 86.509 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.550 -16.099 84.163 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.871 -15.859 85.504 1.00 0.00 C ATOM 332 OH TYR A 21 -7.110 -15.346 85.835 1.00 0.00 O ATOM 0 H TYR A 21 -1.956 -18.615 86.682 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.953 -19.371 84.113 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.243 -17.059 85.135 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.736 -17.166 83.457 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.960 -16.873 86.948 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.046 -16.807 82.793 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.185 -15.952 87.544 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.270 -15.883 83.388 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.636 -15.209 85.019 1.00 0.00 H new ATOM 342 N VAL A 22 0.337 -19.373 84.408 1.00 0.00 N ATOM 343 CA VAL A 22 1.577 -19.901 83.780 1.00 0.00 C ATOM 344 C VAL A 22 1.600 -21.429 83.873 1.00 0.00 C ATOM 345 O VAL A 22 2.237 -22.095 83.079 1.00 0.00 O ATOM 346 CB VAL A 22 2.777 -19.289 84.499 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.056 -20.038 84.125 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.900 -17.826 84.078 1.00 0.00 C ATOM 0 H VAL A 22 0.483 -18.854 85.274 1.00 0.00 H new ATOM 0 HA VAL A 22 1.614 -19.633 82.724 1.00 0.00 H new ATOM 0 HB VAL A 22 2.634 -19.362 85.577 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.904 -19.592 84.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.963 -21.085 84.415 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.214 -19.973 83.049 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.753 -17.373 84.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.044 -17.769 82.999 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.990 -17.291 84.351 1.00 0.00 H new ATOM 358 N ALA A 23 0.896 -21.994 84.817 1.00 0.00 N ATOM 359 CA ALA A 23 0.870 -23.476 84.923 1.00 0.00 C ATOM 360 C ALA A 23 0.255 -24.029 83.638 1.00 0.00 C ATOM 361 O ALA A 23 0.427 -25.180 83.294 1.00 0.00 O ATOM 362 CB ALA A 23 0.016 -23.904 86.123 1.00 0.00 C ATOM 0 H ALA A 23 0.342 -21.495 85.513 1.00 0.00 H new ATOM 0 HA ALA A 23 1.881 -23.859 85.062 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.004 -24.992 86.191 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.439 -23.488 87.037 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.002 -23.537 85.994 1.00 0.00 H new ATOM 368 N LYS A 24 -0.455 -23.199 82.922 1.00 0.00 N ATOM 369 CA LYS A 24 -1.085 -23.643 81.650 1.00 0.00 C ATOM 370 C LYS A 24 -0.006 -24.186 80.716 1.00 0.00 C ATOM 371 O LYS A 24 0.179 -25.381 80.597 1.00 0.00 O ATOM 372 CB LYS A 24 -1.775 -22.453 80.978 1.00 0.00 C ATOM 373 CG LYS A 24 -3.076 -22.099 81.727 1.00 0.00 C ATOM 374 CD LYS A 24 -4.241 -22.040 80.735 1.00 0.00 C ATOM 375 CE LYS A 24 -4.712 -23.460 80.407 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.571 -23.434 79.189 1.00 0.00 N ATOM 0 H LYS A 24 -0.626 -22.224 83.168 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.819 -24.421 81.861 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.106 -21.593 80.970 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.999 -22.693 79.939 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.278 -22.844 82.497 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.967 -21.139 82.232 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.063 -21.463 81.158 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.930 -21.530 79.823 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.853 -24.110 80.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.269 -23.872 81.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.890 -24.399 78.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.398 -22.827 79.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.026 -23.058 78.387 1.00 0.00 H new ATOM 390 N GLY A 25 0.705 -23.320 80.048 1.00 0.00 N ATOM 391 CA GLY A 25 1.768 -23.796 79.117 1.00 0.00 C ATOM 392 C GLY A 25 2.868 -22.744 78.959 1.00 0.00 C ATOM 393 O GLY A 25 3.048 -22.176 77.901 1.00 0.00 O ATOM 0 H GLY A 25 0.597 -22.307 80.106 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.198 -24.724 79.494 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.331 -24.020 78.144 1.00 0.00 H new ATOM 397 N GLU A 26 3.609 -22.504 80.001 1.00 0.00 N ATOM 398 CA GLU A 26 4.730 -21.512 79.949 1.00 0.00 C ATOM 399 C GLU A 26 4.407 -20.353 79.000 1.00 0.00 C ATOM 400 O GLU A 26 5.037 -20.186 77.975 1.00 0.00 O ATOM 401 CB GLU A 26 6.025 -22.202 79.500 1.00 0.00 C ATOM 402 CG GLU A 26 5.748 -23.146 78.329 1.00 0.00 C ATOM 403 CD GLU A 26 7.073 -23.707 77.809 1.00 0.00 C ATOM 404 OE1 GLU A 26 8.093 -23.411 78.408 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.043 -24.422 76.821 1.00 0.00 O ATOM 0 H GLU A 26 3.487 -22.959 80.906 1.00 0.00 H new ATOM 0 HA GLU A 26 4.862 -21.105 80.952 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.760 -21.453 79.206 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.454 -22.760 80.332 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.096 -23.959 78.648 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.227 -22.614 77.533 1.00 0.00 H new ATOM 412 N ASP A 27 3.453 -19.534 79.347 1.00 0.00 N ATOM 413 CA ASP A 27 3.114 -18.363 78.485 1.00 0.00 C ATOM 414 C ASP A 27 3.635 -17.106 79.179 1.00 0.00 C ATOM 415 O ASP A 27 2.936 -16.124 79.324 1.00 0.00 O ATOM 416 CB ASP A 27 1.596 -18.264 78.324 1.00 0.00 C ATOM 417 CG ASP A 27 1.087 -19.464 77.524 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.534 -19.635 76.402 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.258 -20.189 78.047 1.00 0.00 O ATOM 0 H ASP A 27 2.891 -19.624 80.193 1.00 0.00 H new ATOM 0 HA ASP A 27 3.565 -18.473 77.499 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.117 -18.237 79.303 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.334 -17.337 77.815 1.00 0.00 H new ATOM 424 N VAL A 28 4.857 -17.146 79.635 1.00 0.00 N ATOM 425 CA VAL A 28 5.431 -15.976 80.353 1.00 0.00 C ATOM 426 C VAL A 28 6.073 -15.004 79.362 1.00 0.00 C ATOM 427 O VAL A 28 7.278 -14.845 79.302 1.00 0.00 O ATOM 428 CB VAL A 28 6.456 -16.477 81.362 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.724 -17.304 82.417 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.491 -17.365 80.662 1.00 0.00 C ATOM 0 H VAL A 28 5.485 -17.944 79.540 1.00 0.00 H new ATOM 0 HA VAL A 28 4.640 -15.439 80.877 1.00 0.00 H new ATOM 0 HB VAL A 28 6.966 -15.630 81.820 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.440 -17.673 83.151 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.981 -16.682 82.916 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.228 -18.148 81.938 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.220 -17.719 81.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.989 -18.219 80.207 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.001 -16.790 79.889 1.00 0.00 H new ATOM 440 N ASN A 29 5.258 -14.345 78.598 1.00 0.00 N ATOM 441 CA ASN A 29 5.754 -13.365 77.606 1.00 0.00 C ATOM 442 C ASN A 29 4.536 -12.676 77.001 1.00 0.00 C ATOM 443 O ASN A 29 4.483 -12.379 75.824 1.00 0.00 O ATOM 444 CB ASN A 29 6.548 -14.089 76.519 1.00 0.00 C ATOM 445 CG ASN A 29 5.922 -15.455 76.253 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.134 -16.429 77.091 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.230 -15.637 75.272 1.00 0.00 N flip ATOM 0 H ASN A 29 4.243 -14.448 78.621 1.00 0.00 H new ATOM 0 HA ASN A 29 6.412 -12.633 78.075 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.555 -13.497 75.604 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.586 -14.208 76.830 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.064 -14.874 74.616 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.814 -16.553 75.104 1.00 0.00 H new ATOM 454 N ARG A 30 3.548 -12.433 77.820 1.00 0.00 N ATOM 455 CA ARG A 30 2.301 -11.775 77.349 1.00 0.00 C ATOM 456 C ARG A 30 2.254 -10.346 77.881 1.00 0.00 C ATOM 457 O ARG A 30 2.547 -10.096 79.034 1.00 0.00 O ATOM 458 CB ARG A 30 1.096 -12.547 77.892 1.00 0.00 C ATOM 459 CG ARG A 30 1.081 -13.957 77.299 1.00 0.00 C ATOM 460 CD ARG A 30 -0.152 -14.713 77.801 1.00 0.00 C ATOM 461 NE ARG A 30 -1.382 -13.932 77.487 1.00 0.00 N ATOM 462 CZ ARG A 30 -2.549 -14.513 77.531 1.00 0.00 C ATOM 463 NH1 ARG A 30 -2.638 -15.778 77.838 1.00 0.00 N ATOM 464 NH2 ARG A 30 -3.629 -13.827 77.272 1.00 0.00 N ATOM 0 H ARG A 30 3.556 -12.668 78.813 1.00 0.00 H new ATOM 0 HA ARG A 30 2.279 -11.764 76.259 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.145 -12.599 78.980 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.173 -12.025 77.639 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.069 -13.904 76.210 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.988 -14.491 77.583 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.204 -15.696 77.332 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.078 -14.876 78.876 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.311 -12.945 77.238 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.795 -16.313 78.044 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.551 -16.231 77.872 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.560 -12.837 77.035 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.542 -14.281 77.306 1.00 0.00 H new ATOM 478 N THR A 31 1.878 -9.406 77.066 1.00 0.00 N ATOM 479 CA THR A 31 1.804 -8.004 77.555 1.00 0.00 C ATOM 480 C THR A 31 0.908 -7.983 78.795 1.00 0.00 C ATOM 481 O THR A 31 -0.205 -8.472 78.781 1.00 0.00 O ATOM 482 CB THR A 31 1.234 -7.097 76.458 1.00 0.00 C ATOM 483 OG1 THR A 31 1.583 -7.629 75.188 1.00 0.00 O ATOM 484 CG2 THR A 31 1.821 -5.691 76.602 1.00 0.00 C ATOM 0 H THR A 31 1.620 -9.545 76.089 1.00 0.00 H new ATOM 0 HA THR A 31 2.797 -7.634 77.811 1.00 0.00 H new ATOM 0 HB THR A 31 0.149 -7.046 76.550 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.220 -7.055 74.482 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.416 -5.046 75.822 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.560 -5.286 77.580 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.906 -5.738 76.507 1.00 0.00 H new ATOM 492 N LEU A 32 1.410 -7.462 79.877 1.00 0.00 N ATOM 493 CA LEU A 32 0.629 -7.446 81.144 1.00 0.00 C ATOM 494 C LEU A 32 -0.571 -6.488 81.053 1.00 0.00 C ATOM 495 O LEU A 32 -1.636 -6.872 80.611 1.00 0.00 O ATOM 496 CB LEU A 32 1.570 -7.038 82.285 1.00 0.00 C ATOM 497 CG LEU A 32 1.100 -7.661 83.602 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.171 -7.459 84.682 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.201 -6.987 84.047 1.00 0.00 C ATOM 0 H LEU A 32 2.337 -7.042 79.939 1.00 0.00 H new ATOM 0 HA LEU A 32 0.224 -8.440 81.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.586 -7.363 82.062 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.595 -5.952 82.376 1.00 0.00 H new ATOM 0 HG LEU A 32 0.931 -8.728 83.456 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.833 -7.904 85.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.099 -7.937 84.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.343 -6.393 84.829 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.538 -7.429 84.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.028 -5.920 84.190 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.965 -7.131 83.283 1.00 0.00 H new ATOM 511 N GLU A 33 -0.433 -5.258 81.487 1.00 0.00 N ATOM 512 CA GLU A 33 -1.598 -4.321 81.438 1.00 0.00 C ATOM 513 C GLU A 33 -1.815 -3.788 80.016 1.00 0.00 C ATOM 514 O GLU A 33 -2.934 -3.697 79.554 1.00 0.00 O ATOM 515 CB GLU A 33 -1.367 -3.148 82.398 1.00 0.00 C ATOM 516 CG GLU A 33 -0.270 -2.236 81.850 1.00 0.00 C ATOM 517 CD GLU A 33 0.150 -1.243 82.935 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.310 -1.667 84.068 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.303 -0.076 82.615 1.00 0.00 O ATOM 0 H GLU A 33 0.427 -4.866 81.869 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.489 -4.871 81.741 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.291 -2.584 82.526 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.083 -3.522 83.382 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.587 -2.829 81.532 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.631 -1.701 80.971 1.00 0.00 H new ATOM 526 N GLY A 34 -0.772 -3.428 79.316 1.00 0.00 N ATOM 527 CA GLY A 34 -0.968 -2.902 77.930 1.00 0.00 C ATOM 528 C GLY A 34 0.366 -2.854 77.189 1.00 0.00 C ATOM 529 O GLY A 34 0.424 -3.004 75.985 1.00 0.00 O ATOM 0 H GLY A 34 0.195 -3.474 79.637 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.670 -3.536 77.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.406 -1.905 77.971 1.00 0.00 H new ATOM 533 N GLY A 35 1.434 -2.650 77.896 1.00 0.00 N ATOM 534 CA GLY A 35 2.772 -2.597 77.238 1.00 0.00 C ATOM 535 C GLY A 35 3.834 -3.042 78.237 1.00 0.00 C ATOM 536 O GLY A 35 4.999 -2.728 78.100 1.00 0.00 O ATOM 0 H GLY A 35 1.444 -2.516 78.907 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.786 -3.244 76.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.981 -1.585 76.892 1.00 0.00 H new ATOM 540 N ARG A 36 3.437 -3.765 79.252 1.00 0.00 N ATOM 541 CA ARG A 36 4.416 -4.228 80.281 1.00 0.00 C ATOM 542 C ARG A 36 4.456 -5.767 80.316 1.00 0.00 C ATOM 543 O ARG A 36 3.588 -6.432 79.792 1.00 0.00 O ATOM 544 CB ARG A 36 3.985 -3.695 81.652 1.00 0.00 C ATOM 545 CG ARG A 36 3.559 -2.223 81.535 1.00 0.00 C ATOM 546 CD ARG A 36 4.787 -1.342 81.279 1.00 0.00 C ATOM 547 NE ARG A 36 4.449 0.083 81.562 1.00 0.00 N ATOM 548 CZ ARG A 36 5.404 0.961 81.731 1.00 0.00 C ATOM 549 NH1 ARG A 36 6.652 0.586 81.670 1.00 0.00 N ATOM 550 NH2 ARG A 36 5.109 2.212 81.965 1.00 0.00 N ATOM 0 H ARG A 36 2.473 -4.056 79.413 1.00 0.00 H new ATOM 0 HA ARG A 36 5.409 -3.855 80.032 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.159 -4.291 82.040 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.807 -3.789 82.362 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.842 -2.107 80.723 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.058 -1.907 82.450 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.615 -1.662 81.911 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.115 -1.450 80.245 1.00 0.00 H new ATOM 0 HE ARG A 36 3.473 0.373 81.624 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.883 -0.391 81.491 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.397 1.270 81.802 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.133 2.505 82.016 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.854 2.896 82.097 1.00 0.00 H new ATOM 564 N LYS A 37 5.464 -6.334 80.938 1.00 0.00 N ATOM 565 CA LYS A 37 5.577 -7.829 81.027 1.00 0.00 C ATOM 566 C LYS A 37 5.410 -8.249 82.503 1.00 0.00 C ATOM 567 O LYS A 37 5.471 -7.410 83.380 1.00 0.00 O ATOM 568 CB LYS A 37 6.956 -8.266 80.504 1.00 0.00 C ATOM 569 CG LYS A 37 7.905 -7.060 80.465 1.00 0.00 C ATOM 570 CD LYS A 37 8.206 -6.587 81.895 1.00 0.00 C ATOM 571 CE LYS A 37 8.902 -5.220 81.858 1.00 0.00 C ATOM 572 NZ LYS A 37 9.681 -5.084 80.596 1.00 0.00 N ATOM 0 H LYS A 37 6.220 -5.822 81.392 1.00 0.00 H new ATOM 0 HA LYS A 37 4.804 -8.305 80.423 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.369 -9.044 81.146 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.857 -8.695 79.507 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.832 -7.331 79.959 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.455 -6.250 79.892 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.281 -6.518 82.467 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.840 -7.314 82.402 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.162 -4.423 81.927 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.564 -5.115 82.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.081 -4.126 80.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.452 -5.782 80.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.055 -5.249 79.782 1.00 0.00 H new ATOM 586 N PRO A 38 5.174 -9.522 82.744 1.00 0.00 N ATOM 587 CA PRO A 38 4.966 -10.036 84.123 1.00 0.00 C ATOM 588 C PRO A 38 6.278 -10.111 84.940 1.00 0.00 C ATOM 589 O PRO A 38 6.474 -11.043 85.699 1.00 0.00 O ATOM 590 CB PRO A 38 4.411 -11.456 83.911 1.00 0.00 C ATOM 591 CG PRO A 38 4.691 -11.843 82.437 1.00 0.00 C ATOM 592 CD PRO A 38 5.076 -10.555 81.685 1.00 0.00 C ATOM 0 HA PRO A 38 4.306 -9.378 84.689 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.889 -12.161 84.591 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.342 -11.486 84.120 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.496 -12.576 82.379 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.810 -12.301 81.987 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.022 -10.672 81.156 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.325 -10.290 80.941 1.00 0.00 H new ATOM 600 N LEU A 39 7.177 -9.157 84.814 1.00 0.00 N ATOM 601 CA LEU A 39 8.456 -9.223 85.610 1.00 0.00 C ATOM 602 C LEU A 39 8.681 -7.902 86.360 1.00 0.00 C ATOM 603 O LEU A 39 9.349 -7.859 87.372 1.00 0.00 O ATOM 604 CB LEU A 39 9.640 -9.477 84.654 1.00 0.00 C ATOM 605 CG LEU A 39 10.954 -9.834 85.407 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.682 -10.567 86.728 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.809 -10.740 84.509 1.00 0.00 C ATOM 0 H LEU A 39 7.085 -8.345 84.204 1.00 0.00 H new ATOM 0 HA LEU A 39 8.384 -10.035 86.334 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.384 -10.289 83.973 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.806 -8.589 84.044 1.00 0.00 H new ATOM 0 HG LEU A 39 11.471 -8.903 85.638 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.628 -10.796 87.219 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.080 -9.933 87.379 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.145 -11.494 86.526 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.733 -10.997 85.026 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.256 -11.651 84.279 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.045 -10.216 83.583 1.00 0.00 H new ATOM 619 N HIS A 40 8.137 -6.823 85.871 1.00 0.00 N ATOM 620 CA HIS A 40 8.337 -5.511 86.557 1.00 0.00 C ATOM 621 C HIS A 40 7.509 -5.481 87.841 1.00 0.00 C ATOM 622 O HIS A 40 7.960 -5.025 88.872 1.00 0.00 O ATOM 623 CB HIS A 40 7.882 -4.381 85.626 1.00 0.00 C ATOM 624 CG HIS A 40 8.490 -3.078 86.070 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.028 -2.085 86.898 1.00 0.00 N flip ATOM 626 CD2 HIS A 40 9.740 -2.662 85.640 1.00 0.00 C flip ATOM 627 CE1 HIS A 40 8.974 -1.068 86.983 1.00 0.00 C flip ATOM 628 NE2 HIS A 40 9.986 -1.466 86.206 1.00 0.00 N flip ATOM 0 H HIS A 40 7.563 -6.790 85.028 1.00 0.00 H new ATOM 0 HA HIS A 40 9.391 -5.379 86.802 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.179 -4.601 84.601 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.795 -4.307 85.634 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.128 -2.092 87.378 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.397 -3.200 84.972 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.905 -0.154 87.554 1.00 0.00 H new ATOM 636 N TYR A 41 6.305 -5.975 87.789 1.00 0.00 N ATOM 637 CA TYR A 41 5.449 -5.990 89.007 1.00 0.00 C ATOM 638 C TYR A 41 6.000 -7.028 89.976 1.00 0.00 C ATOM 639 O TYR A 41 6.071 -6.810 91.169 1.00 0.00 O ATOM 640 CB TYR A 41 4.026 -6.358 88.610 1.00 0.00 C ATOM 641 CG TYR A 41 3.583 -5.428 87.514 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.051 -5.610 86.207 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.719 -4.370 87.808 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.652 -4.733 85.195 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.318 -3.495 86.797 1.00 0.00 C ATOM 646 CZ TYR A 41 2.785 -3.674 85.490 1.00 0.00 C ATOM 647 OH TYR A 41 2.390 -2.807 84.494 1.00 0.00 O ATOM 0 H TYR A 41 5.875 -6.370 86.953 1.00 0.00 H new ATOM 0 HA TYR A 41 5.447 -5.009 89.483 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.983 -7.393 88.270 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.360 -6.277 89.469 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.720 -6.427 85.981 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.361 -4.229 88.817 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.012 -4.872 84.186 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.647 -2.680 87.024 1.00 0.00 H new ATOM 0 HH TYR A 41 1.420 -2.677 84.539 1.00 0.00 H new ATOM 657 N ALA A 42 6.414 -8.150 89.465 1.00 0.00 N ATOM 658 CA ALA A 42 6.989 -9.193 90.347 1.00 0.00 C ATOM 659 C ALA A 42 8.310 -8.662 90.887 1.00 0.00 C ATOM 660 O ALA A 42 8.523 -8.577 92.075 1.00 0.00 O ATOM 661 CB ALA A 42 7.242 -10.463 89.533 1.00 0.00 C ATOM 0 H ALA A 42 6.378 -8.388 88.474 1.00 0.00 H new ATOM 0 HA ALA A 42 6.307 -9.428 91.164 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.665 -11.232 90.180 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.301 -10.819 89.113 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.940 -10.244 88.725 1.00 0.00 H new ATOM 667 N ALA A 43 9.194 -8.283 90.016 1.00 0.00 N ATOM 668 CA ALA A 43 10.494 -7.737 90.474 1.00 0.00 C ATOM 669 C ALA A 43 10.234 -6.606 91.476 1.00 0.00 C ATOM 670 O ALA A 43 10.648 -6.661 92.618 1.00 0.00 O ATOM 671 CB ALA A 43 11.243 -7.167 89.265 1.00 0.00 C ATOM 0 H ALA A 43 9.073 -8.328 89.004 1.00 0.00 H new ATOM 0 HA ALA A 43 11.085 -8.523 90.945 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.202 -6.762 89.589 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.412 -7.959 88.535 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.649 -6.374 88.810 1.00 0.00 H new ATOM 677 N ASP A 44 9.561 -5.573 91.041 1.00 0.00 N ATOM 678 CA ASP A 44 9.274 -4.408 91.930 1.00 0.00 C ATOM 679 C ASP A 44 8.458 -4.809 93.168 1.00 0.00 C ATOM 680 O ASP A 44 8.423 -4.085 94.143 1.00 0.00 O ATOM 681 CB ASP A 44 8.494 -3.357 91.141 1.00 0.00 C ATOM 682 CG ASP A 44 9.314 -2.924 89.927 1.00 0.00 C ATOM 683 OD1 ASP A 44 9.918 -3.786 89.311 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.326 -1.740 89.636 1.00 0.00 O ATOM 0 H ASP A 44 9.193 -5.486 90.094 1.00 0.00 H new ATOM 0 HA ASP A 44 10.229 -4.011 92.274 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.535 -3.764 90.820 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.279 -2.496 91.774 1.00 0.00 H new ATOM 689 N CYS A 45 7.785 -5.925 93.151 1.00 0.00 N ATOM 690 CA CYS A 45 6.972 -6.299 94.348 1.00 0.00 C ATOM 691 C CYS A 45 6.535 -7.759 94.248 1.00 0.00 C ATOM 692 O CYS A 45 5.362 -8.071 94.270 1.00 0.00 O ATOM 693 CB CYS A 45 5.730 -5.400 94.410 1.00 0.00 C ATOM 694 SG CYS A 45 5.363 -4.760 92.755 1.00 0.00 S ATOM 0 H CYS A 45 7.760 -6.587 92.375 1.00 0.00 H new ATOM 0 HA CYS A 45 7.573 -6.168 95.248 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.878 -5.964 94.790 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.900 -4.574 95.101 1.00 0.00 H new ATOM 0 HG CYS A 45 5.817 -5.586 91.860 1.00 0.00 H new ATOM 700 N GLY A 46 7.468 -8.654 94.131 1.00 0.00 N ATOM 701 CA GLY A 46 7.110 -10.101 94.021 1.00 0.00 C ATOM 702 C GLY A 46 7.637 -10.869 95.234 1.00 0.00 C ATOM 703 O GLY A 46 7.849 -12.065 95.167 1.00 0.00 O ATOM 0 H GLY A 46 8.467 -8.452 94.106 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.028 -10.211 93.954 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.530 -10.519 93.106 1.00 0.00 H new ATOM 707 N GLN A 47 7.884 -10.205 96.332 1.00 0.00 N ATOM 708 CA GLN A 47 8.435 -10.931 97.508 1.00 0.00 C ATOM 709 C GLN A 47 9.707 -11.643 97.034 1.00 0.00 C ATOM 710 O GLN A 47 10.271 -12.475 97.712 1.00 0.00 O ATOM 711 CB GLN A 47 7.403 -11.941 98.034 1.00 0.00 C ATOM 712 CG GLN A 47 6.022 -11.274 98.104 1.00 0.00 C ATOM 713 CD GLN A 47 6.106 -9.986 98.928 1.00 0.00 C ATOM 714 OE1 GLN A 47 6.939 -9.863 99.804 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.269 -9.013 98.682 1.00 0.00 N ATOM 0 H GLN A 47 7.730 -9.205 96.463 1.00 0.00 H new ATOM 0 HA GLN A 47 8.664 -10.247 98.325 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.365 -12.812 97.380 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.697 -12.297 99.021 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.665 -11.050 97.099 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.301 -11.957 98.553 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.570 -9.116 97.947 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.315 -8.151 99.225 1.00 0.00 H new ATOM 724 N LEU A 48 10.153 -11.267 95.858 1.00 0.00 N ATOM 725 CA LEU A 48 11.390 -11.833 95.250 1.00 0.00 C ATOM 726 C LEU A 48 11.216 -13.304 94.882 1.00 0.00 C ATOM 727 O LEU A 48 12.122 -13.942 94.382 1.00 0.00 O ATOM 728 CB LEU A 48 12.563 -11.663 96.200 1.00 0.00 C ATOM 729 CG LEU A 48 12.913 -10.166 96.381 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.240 -9.286 95.317 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.472 -9.696 97.770 1.00 0.00 C ATOM 0 H LEU A 48 9.690 -10.566 95.279 1.00 0.00 H new ATOM 0 HA LEU A 48 11.590 -11.285 94.329 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.320 -12.104 97.167 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.430 -12.199 95.814 1.00 0.00 H new ATOM 0 HG LEU A 48 13.993 -10.067 96.270 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.513 -8.244 95.482 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.572 -9.596 94.326 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.158 -9.393 95.388 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.720 -8.642 97.893 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.395 -9.830 97.875 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.986 -10.281 98.532 1.00 0.00 H new ATOM 743 N GLU A 49 10.057 -13.842 95.091 1.00 0.00 N ATOM 744 CA GLU A 49 9.803 -15.255 94.720 1.00 0.00 C ATOM 745 C GLU A 49 9.140 -15.295 93.349 1.00 0.00 C ATOM 746 O GLU A 49 9.408 -16.161 92.538 1.00 0.00 O ATOM 747 CB GLU A 49 8.879 -15.898 95.743 1.00 0.00 C ATOM 748 CG GLU A 49 9.288 -15.462 97.145 1.00 0.00 C ATOM 749 CD GLU A 49 8.481 -16.246 98.182 1.00 0.00 C ATOM 750 OE1 GLU A 49 8.304 -17.438 97.990 1.00 0.00 O ATOM 751 OE2 GLU A 49 8.058 -15.641 99.152 1.00 0.00 O ATOM 0 H GLU A 49 9.262 -13.358 95.509 1.00 0.00 H new ATOM 0 HA GLU A 49 10.746 -15.801 94.695 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.846 -15.609 95.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.927 -16.984 95.660 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.354 -15.633 97.294 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.117 -14.393 97.269 1.00 0.00 H new ATOM 758 N ILE A 50 8.259 -14.369 93.097 1.00 0.00 N ATOM 759 CA ILE A 50 7.552 -14.350 91.791 1.00 0.00 C ATOM 760 C ILE A 50 8.511 -14.035 90.648 1.00 0.00 C ATOM 761 O ILE A 50 8.524 -14.723 89.657 1.00 0.00 O ATOM 762 CB ILE A 50 6.435 -13.307 91.815 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.592 -13.492 93.106 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.584 -13.485 90.548 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.088 -13.456 92.814 1.00 0.00 C ATOM 0 H ILE A 50 7.998 -13.623 93.742 1.00 0.00 H new ATOM 0 HA ILE A 50 7.129 -15.341 91.626 1.00 0.00 H new ATOM 0 HB ILE A 50 6.839 -12.295 91.825 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.849 -14.442 93.575 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.843 -12.707 93.819 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.779 -12.750 90.544 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.210 -13.343 89.667 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.159 -14.488 90.533 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.534 -13.589 93.743 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.827 -12.496 92.370 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.833 -14.258 92.121 1.00 0.00 H new ATOM 777 N LEU A 51 9.289 -12.994 90.745 1.00 0.00 N ATOM 778 CA LEU A 51 10.192 -12.665 89.608 1.00 0.00 C ATOM 779 C LEU A 51 10.886 -13.936 89.095 1.00 0.00 C ATOM 780 O LEU A 51 10.822 -14.242 87.928 1.00 0.00 O ATOM 781 CB LEU A 51 11.260 -11.591 89.946 1.00 0.00 C ATOM 782 CG LEU A 51 11.539 -11.415 91.448 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.279 -10.974 92.204 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.096 -12.712 92.036 1.00 0.00 C ATOM 0 H LEU A 51 9.339 -12.366 91.547 1.00 0.00 H new ATOM 0 HA LEU A 51 9.554 -12.239 88.834 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.192 -11.854 89.445 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.937 -10.634 89.536 1.00 0.00 H new ATOM 0 HG LEU A 51 12.284 -10.628 91.564 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.511 -10.859 93.263 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.929 -10.022 91.804 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.500 -11.727 92.083 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.290 -12.575 93.100 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.371 -13.514 91.899 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.025 -12.972 91.529 1.00 0.00 H new ATOM 796 N GLU A 52 11.561 -14.667 89.938 1.00 0.00 N ATOM 797 CA GLU A 52 12.258 -15.896 89.444 1.00 0.00 C ATOM 798 C GLU A 52 11.256 -16.912 88.872 1.00 0.00 C ATOM 799 O GLU A 52 11.587 -17.680 87.993 1.00 0.00 O ATOM 800 CB GLU A 52 13.097 -16.555 90.554 1.00 0.00 C ATOM 801 CG GLU A 52 12.349 -16.570 91.888 1.00 0.00 C ATOM 802 CD GLU A 52 11.392 -17.765 91.934 1.00 0.00 C ATOM 803 OE1 GLU A 52 11.257 -18.432 90.921 1.00 0.00 O ATOM 804 OE2 GLU A 52 10.813 -17.994 92.982 1.00 0.00 O ATOM 0 H GLU A 52 11.662 -14.474 90.934 1.00 0.00 H new ATOM 0 HA GLU A 52 12.931 -15.581 88.646 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.348 -17.576 90.265 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.038 -16.016 90.669 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.059 -16.629 92.713 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.792 -15.641 92.013 1.00 0.00 H new ATOM 811 N PHE A 53 10.047 -16.950 89.371 1.00 0.00 N ATOM 812 CA PHE A 53 9.057 -17.955 88.862 1.00 0.00 C ATOM 813 C PHE A 53 8.825 -17.818 87.353 1.00 0.00 C ATOM 814 O PHE A 53 9.312 -18.606 86.577 1.00 0.00 O ATOM 815 CB PHE A 53 7.720 -17.769 89.569 1.00 0.00 C ATOM 816 CG PHE A 53 6.661 -18.553 88.828 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.783 -19.941 88.695 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.567 -17.888 88.258 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.811 -20.666 87.998 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.595 -18.612 87.562 1.00 0.00 C ATOM 821 CZ PHE A 53 4.718 -20.002 87.431 1.00 0.00 C ATOM 0 H PHE A 53 9.701 -16.333 90.106 1.00 0.00 H new ATOM 0 HA PHE A 53 9.470 -18.943 89.065 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.789 -18.111 90.602 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.454 -16.712 89.600 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.628 -20.453 89.131 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.475 -16.816 88.357 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.904 -21.737 87.898 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.750 -18.101 87.125 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.968 -20.561 86.892 1.00 0.00 H new ATOM 831 N LEU A 54 8.046 -16.859 86.931 1.00 0.00 N ATOM 832 CA LEU A 54 7.772 -16.728 85.475 1.00 0.00 C ATOM 833 C LEU A 54 9.088 -16.622 84.701 1.00 0.00 C ATOM 834 O LEU A 54 9.114 -16.617 83.486 1.00 0.00 O ATOM 835 CB LEU A 54 6.847 -15.523 85.190 1.00 0.00 C ATOM 836 CG LEU A 54 7.444 -14.154 85.603 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.398 -14.273 86.789 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.177 -13.524 84.415 1.00 0.00 C ATOM 0 H LEU A 54 7.592 -16.167 87.527 1.00 0.00 H new ATOM 0 HA LEU A 54 7.248 -17.622 85.136 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.616 -15.500 84.125 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.904 -15.670 85.717 1.00 0.00 H new ATOM 0 HG LEU A 54 6.614 -13.518 85.910 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.790 -13.288 87.041 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.863 -14.681 87.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.223 -14.936 86.527 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.594 -12.562 84.713 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.982 -14.184 84.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.477 -13.377 83.592 1.00 0.00 H new ATOM 850 N LEU A 55 10.186 -16.578 85.399 1.00 0.00 N ATOM 851 CA LEU A 55 11.510 -16.517 84.721 1.00 0.00 C ATOM 852 C LEU A 55 12.005 -17.951 84.504 1.00 0.00 C ATOM 853 O LEU A 55 12.599 -18.273 83.493 1.00 0.00 O ATOM 854 CB LEU A 55 12.483 -15.746 85.616 1.00 0.00 C ATOM 855 CG LEU A 55 13.614 -15.145 84.782 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.458 -14.235 85.681 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.496 -16.266 84.217 1.00 0.00 C ATOM 0 H LEU A 55 10.224 -16.582 86.418 1.00 0.00 H new ATOM 0 HA LEU A 55 11.436 -16.011 83.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.952 -14.954 86.144 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.896 -16.412 86.373 1.00 0.00 H new ATOM 0 HG LEU A 55 13.196 -14.571 83.955 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.269 -13.799 85.098 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.832 -13.439 86.083 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.874 -14.819 86.502 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.300 -15.832 83.623 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.922 -16.843 85.038 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.893 -16.921 83.588 1.00 0.00 H new ATOM 869 N LEU A 56 11.727 -18.819 85.440 1.00 0.00 N ATOM 870 CA LEU A 56 12.133 -20.246 85.302 1.00 0.00 C ATOM 871 C LEU A 56 11.518 -20.791 84.018 1.00 0.00 C ATOM 872 O LEU A 56 12.172 -21.433 83.222 1.00 0.00 O ATOM 873 CB LEU A 56 11.605 -21.048 86.503 1.00 0.00 C ATOM 874 CG LEU A 56 12.721 -21.272 87.529 1.00 0.00 C ATOM 875 CD1 LEU A 56 13.111 -19.941 88.173 1.00 0.00 C ATOM 876 CD2 LEU A 56 12.223 -22.231 88.613 1.00 0.00 C ATOM 0 H LEU A 56 11.231 -18.597 86.303 1.00 0.00 H new ATOM 0 HA LEU A 56 13.219 -20.330 85.269 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.776 -20.514 86.968 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.216 -22.008 86.164 1.00 0.00 H new ATOM 0 HG LEU A 56 13.591 -21.697 87.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.905 -20.108 88.901 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.463 -19.254 87.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.244 -19.511 88.674 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.013 -22.394 89.346 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.353 -21.800 89.108 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.948 -23.183 88.158 1.00 0.00 H new ATOM 888 N LYS A 57 10.265 -20.510 83.807 1.00 0.00 N ATOM 889 CA LYS A 57 9.596 -20.974 82.565 1.00 0.00 C ATOM 890 C LYS A 57 10.326 -20.308 81.403 1.00 0.00 C ATOM 891 O LYS A 57 11.456 -20.637 81.099 1.00 0.00 O ATOM 892 CB LYS A 57 8.123 -20.534 82.571 1.00 0.00 C ATOM 893 CG LYS A 57 7.302 -21.431 83.509 1.00 0.00 C ATOM 894 CD LYS A 57 7.590 -21.068 84.979 1.00 0.00 C ATOM 895 CE LYS A 57 8.466 -22.148 85.619 1.00 0.00 C ATOM 896 NZ LYS A 57 7.625 -23.325 85.981 1.00 0.00 N ATOM 0 H LYS A 57 9.674 -19.977 84.444 1.00 0.00 H new ATOM 0 HA LYS A 57 9.627 -22.060 82.483 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.048 -19.495 82.893 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.717 -20.585 81.561 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.239 -21.313 83.299 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.548 -22.478 83.330 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.091 -20.102 85.033 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.654 -20.973 85.530 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.253 -22.449 84.927 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.957 -21.752 86.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.222 -24.058 86.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.890 -23.032 86.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.176 -23.707 85.124 1.00 0.00 H new ATOM 910 N GLY A 58 9.718 -19.339 80.781 1.00 0.00 N ATOM 911 CA GLY A 58 10.410 -18.622 79.680 1.00 0.00 C ATOM 912 C GLY A 58 11.542 -17.805 80.304 1.00 0.00 C ATOM 913 O GLY A 58 12.325 -18.322 81.073 1.00 0.00 O ATOM 0 H GLY A 58 8.774 -19.014 80.988 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.805 -19.329 78.950 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.715 -17.971 79.150 1.00 0.00 H new ATOM 917 N ALA A 59 11.627 -16.534 80.017 1.00 0.00 N ATOM 918 CA ALA A 59 12.707 -15.720 80.641 1.00 0.00 C ATOM 919 C ALA A 59 12.659 -14.278 80.133 1.00 0.00 C ATOM 920 O ALA A 59 13.464 -13.864 79.324 1.00 0.00 O ATOM 921 CB ALA A 59 14.081 -16.336 80.336 1.00 0.00 C ATOM 0 H ALA A 59 11.004 -16.030 79.386 1.00 0.00 H new ATOM 0 HA ALA A 59 12.550 -15.715 81.720 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.861 -15.731 80.798 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.122 -17.349 80.736 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.235 -16.365 79.257 1.00 0.00 H new ATOM 927 N ASP A 60 11.748 -13.496 80.641 1.00 0.00 N ATOM 928 CA ASP A 60 11.688 -12.071 80.231 1.00 0.00 C ATOM 929 C ASP A 60 12.880 -11.387 80.896 1.00 0.00 C ATOM 930 O ASP A 60 13.073 -10.189 80.813 1.00 0.00 O ATOM 931 CB ASP A 60 10.377 -11.457 80.728 1.00 0.00 C ATOM 932 CG ASP A 60 10.143 -10.113 80.038 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.559 -10.114 78.967 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.545 -9.107 80.596 1.00 0.00 O ATOM 0 H ASP A 60 11.045 -13.784 81.321 1.00 0.00 H new ATOM 0 HA ASP A 60 11.725 -11.955 79.148 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.547 -12.132 80.521 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.415 -11.320 81.809 1.00 0.00 H new ATOM 939 N ILE A 61 13.677 -12.179 81.565 1.00 0.00 N ATOM 940 CA ILE A 61 14.876 -11.658 82.272 1.00 0.00 C ATOM 941 C ILE A 61 15.697 -10.791 81.329 1.00 0.00 C ATOM 942 O ILE A 61 16.453 -9.939 81.749 1.00 0.00 O ATOM 943 CB ILE A 61 15.729 -12.845 82.724 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.781 -12.371 83.728 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.421 -13.464 81.503 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.825 -13.471 83.943 1.00 0.00 C ATOM 0 H ILE A 61 13.541 -13.186 81.650 1.00 0.00 H new ATOM 0 HA ILE A 61 14.565 -11.061 83.130 1.00 0.00 H new ATOM 0 HB ILE A 61 15.093 -13.591 83.200 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.264 -11.465 83.362 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.305 -12.118 84.675 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.030 -14.310 81.820 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.668 -13.805 80.792 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.057 -12.717 81.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.572 -13.129 84.659 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.336 -14.366 84.328 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.310 -13.702 82.995 1.00 0.00 H new ATOM 958 N ASN A 62 15.570 -11.018 80.056 1.00 0.00 N ATOM 959 CA ASN A 62 16.360 -10.225 79.074 1.00 0.00 C ATOM 960 C ASN A 62 15.524 -9.947 77.820 1.00 0.00 C ATOM 961 O ASN A 62 15.664 -8.924 77.185 1.00 0.00 O ATOM 962 CB ASN A 62 17.620 -11.016 78.703 1.00 0.00 C ATOM 963 CG ASN A 62 17.233 -12.412 78.198 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.019 -12.854 78.394 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 18.046 -13.109 77.621 1.00 0.00 N flip ATOM 0 H ASN A 62 14.952 -11.720 79.649 1.00 0.00 H new ATOM 0 HA ASN A 62 16.640 -9.269 79.516 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.180 -10.484 77.934 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.274 -11.102 79.571 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.994 -12.766 77.467 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.780 -14.037 77.291 1.00 0.00 H new ATOM 972 N ALA A 63 14.662 -10.861 77.473 1.00 0.00 N ATOM 973 CA ALA A 63 13.784 -10.712 76.258 1.00 0.00 C ATOM 974 C ALA A 63 13.574 -9.242 75.811 1.00 0.00 C ATOM 975 O ALA A 63 13.808 -8.933 74.662 1.00 0.00 O ATOM 976 CB ALA A 63 12.439 -11.361 76.546 1.00 0.00 C ATOM 0 H ALA A 63 14.519 -11.730 77.988 1.00 0.00 H new ATOM 0 HA ALA A 63 14.295 -11.206 75.431 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.792 -11.261 75.674 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.585 -12.418 76.769 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.974 -10.870 77.401 1.00 0.00 H new ATOM 982 N PRO A 64 13.141 -8.379 76.711 1.00 0.00 N ATOM 983 CA PRO A 64 12.896 -6.959 76.426 1.00 0.00 C ATOM 984 C PRO A 64 13.536 -6.451 75.130 1.00 0.00 C ATOM 985 O PRO A 64 14.683 -6.714 74.821 1.00 0.00 O ATOM 986 CB PRO A 64 13.467 -6.304 77.680 1.00 0.00 C ATOM 987 CG PRO A 64 13.296 -7.364 78.814 1.00 0.00 C ATOM 988 CD PRO A 64 12.883 -8.682 78.124 1.00 0.00 C ATOM 0 HA PRO A 64 11.846 -6.734 76.240 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.516 -6.040 77.543 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.935 -5.383 77.919 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.225 -7.491 79.369 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.538 -7.047 79.530 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.473 -9.529 78.474 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.836 -8.927 78.305 1.00 0.00 H new ATOM 996 N ASP A 65 12.752 -5.715 74.374 1.00 0.00 N ATOM 997 CA ASP A 65 13.203 -5.134 73.074 1.00 0.00 C ATOM 998 C ASP A 65 12.695 -3.686 72.989 1.00 0.00 C ATOM 999 O ASP A 65 13.453 -2.763 72.755 1.00 0.00 O ATOM 1000 CB ASP A 65 12.602 -5.942 71.919 1.00 0.00 C ATOM 1001 CG ASP A 65 13.398 -7.233 71.720 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.432 -7.371 72.353 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.959 -8.061 70.941 1.00 0.00 O ATOM 0 H ASP A 65 11.788 -5.488 74.617 1.00 0.00 H new ATOM 0 HA ASP A 65 14.291 -5.161 73.009 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.559 -6.176 72.131 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.616 -5.351 71.003 1.00 0.00 H new ATOM 1008 N LYS A 66 11.414 -3.485 73.182 1.00 0.00 N ATOM 1009 CA LYS A 66 10.839 -2.119 73.124 1.00 0.00 C ATOM 1010 C LYS A 66 10.937 -1.469 74.504 1.00 0.00 C ATOM 1011 O LYS A 66 10.917 -0.261 74.640 1.00 0.00 O ATOM 1012 CB LYS A 66 9.379 -2.222 72.702 1.00 0.00 C ATOM 1013 CG LYS A 66 8.884 -0.845 72.269 1.00 0.00 C ATOM 1014 CD LYS A 66 9.148 -0.636 70.775 1.00 0.00 C ATOM 1015 CE LYS A 66 8.789 0.801 70.390 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.356 1.061 70.708 1.00 0.00 N ATOM 0 H LYS A 66 10.739 -4.224 73.379 1.00 0.00 H new ATOM 0 HA LYS A 66 11.387 -1.510 72.405 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.274 -2.934 71.883 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.775 -2.596 73.528 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.817 -0.752 72.474 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.388 -0.071 72.847 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.196 -0.834 70.549 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.557 -1.339 70.188 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.425 1.502 70.930 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.971 0.960 69.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.040 1.919 70.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.780 0.251 70.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.247 1.195 71.734 1.00 0.00 H new ATOM 1030 N HIS A 67 11.064 -2.266 75.527 1.00 0.00 N ATOM 1031 CA HIS A 67 11.190 -1.717 76.899 1.00 0.00 C ATOM 1032 C HIS A 67 12.615 -1.219 77.072 1.00 0.00 C ATOM 1033 O HIS A 67 13.002 -0.734 78.116 1.00 0.00 O ATOM 1034 CB HIS A 67 10.906 -2.832 77.906 1.00 0.00 C ATOM 1035 CG HIS A 67 9.788 -3.694 77.394 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.739 -4.634 76.397 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 8.511 -3.645 77.931 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 8.454 -5.162 76.312 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 7.755 -4.532 77.259 1.00 0.00 N flip ATOM 0 H HIS A 67 11.086 -3.284 75.467 1.00 0.00 H new ATOM 0 HA HIS A 67 10.485 -0.902 77.060 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.802 -3.433 78.061 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.637 -2.405 78.872 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.183 -3.011 78.741 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.099 -5.918 75.628 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.768 -4.702 77.450 1.00 0.00 H new ATOM 1047 N HIS A 68 13.392 -1.329 76.031 1.00 0.00 N ATOM 1048 CA HIS A 68 14.804 -0.870 76.078 1.00 0.00 C ATOM 1049 C HIS A 68 15.412 -1.149 77.441 1.00 0.00 C ATOM 1050 O HIS A 68 16.315 -0.460 77.866 1.00 0.00 O ATOM 1051 CB HIS A 68 14.862 0.635 75.803 1.00 0.00 C ATOM 1052 CG HIS A 68 14.315 1.396 76.983 1.00 0.00 C ATOM 1053 ND1 HIS A 68 12.958 1.608 77.160 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.932 2.006 78.048 1.00 0.00 C ATOM 1055 CE1 HIS A 68 12.802 2.320 78.291 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.974 2.589 78.872 1.00 0.00 N ATOM 0 H HIS A 68 13.102 -1.724 75.137 1.00 0.00 H new ATOM 0 HA HIS A 68 15.370 -1.411 75.320 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.891 0.938 75.610 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.286 0.872 74.908 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.998 2.030 78.220 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.846 2.635 78.681 1.00 0.00 H new ATOM 0 HE2 HIS A 68 14.133 3.110 79.734 1.00 0.00 H new ATOM 1064 N ILE A 69 14.952 -2.147 78.146 1.00 0.00 N ATOM 1065 CA ILE A 69 15.578 -2.392 79.463 1.00 0.00 C ATOM 1066 C ILE A 69 15.416 -3.820 79.943 1.00 0.00 C ATOM 1067 O ILE A 69 14.569 -4.587 79.528 1.00 0.00 O ATOM 1068 CB ILE A 69 15.020 -1.415 80.510 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.171 -0.551 81.043 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.362 -2.176 81.674 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.221 -1.413 81.766 1.00 0.00 C ATOM 0 H ILE A 69 14.198 -2.779 77.876 1.00 0.00 H new ATOM 0 HA ILE A 69 16.647 -2.223 79.335 1.00 0.00 H new ATOM 0 HB ILE A 69 14.262 -0.787 80.042 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.641 -0.016 80.218 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.779 0.201 81.728 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.975 -1.463 82.402 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.543 -2.787 81.293 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.101 -2.818 82.153 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.025 -0.775 82.133 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.754 -1.928 82.606 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.629 -2.148 81.072 1.00 0.00 H new ATOM 1083 N THR A 70 16.273 -4.119 80.858 1.00 0.00 N ATOM 1084 CA THR A 70 16.344 -5.422 81.527 1.00 0.00 C ATOM 1085 C THR A 70 15.775 -5.171 82.944 1.00 0.00 C ATOM 1086 O THR A 70 16.276 -4.319 83.642 1.00 0.00 O ATOM 1087 CB THR A 70 17.833 -5.772 81.556 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.370 -5.358 82.805 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.533 -5.017 80.409 1.00 0.00 C ATOM 0 H THR A 70 16.977 -3.459 81.189 1.00 0.00 H new ATOM 0 HA THR A 70 15.793 -6.235 81.054 1.00 0.00 H new ATOM 0 HB THR A 70 17.983 -6.845 81.433 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.346 -5.306 82.740 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.597 -5.254 80.413 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.098 -5.318 79.456 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.400 -3.944 80.545 1.00 0.00 H new ATOM 1097 N PRO A 71 14.697 -5.833 83.304 1.00 0.00 N ATOM 1098 CA PRO A 71 14.034 -5.579 84.604 1.00 0.00 C ATOM 1099 C PRO A 71 14.951 -5.814 85.812 1.00 0.00 C ATOM 1100 O PRO A 71 14.622 -5.417 86.909 1.00 0.00 O ATOM 1101 CB PRO A 71 12.832 -6.536 84.609 1.00 0.00 C ATOM 1102 CG PRO A 71 12.668 -7.043 83.159 1.00 0.00 C ATOM 1103 CD PRO A 71 14.032 -6.864 82.483 1.00 0.00 C ATOM 0 HA PRO A 71 13.744 -4.533 84.700 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.001 -7.367 85.294 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.930 -6.024 84.945 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.362 -8.089 83.145 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.897 -6.478 82.635 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.599 -7.795 82.473 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.926 -6.544 81.446 1.00 0.00 H new ATOM 1111 N LEU A 72 16.095 -6.415 85.655 1.00 0.00 N ATOM 1112 CA LEU A 72 16.968 -6.589 86.848 1.00 0.00 C ATOM 1113 C LEU A 72 17.208 -5.202 87.436 1.00 0.00 C ATOM 1114 O LEU A 72 17.230 -5.018 88.633 1.00 0.00 O ATOM 1115 CB LEU A 72 18.329 -7.228 86.484 1.00 0.00 C ATOM 1116 CG LEU A 72 18.237 -8.197 85.282 1.00 0.00 C ATOM 1117 CD1 LEU A 72 16.877 -8.905 85.247 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.463 -7.442 83.969 1.00 0.00 C ATOM 0 H LEU A 72 16.458 -6.785 84.777 1.00 0.00 H new ATOM 0 HA LEU A 72 16.478 -7.256 87.557 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.045 -6.439 86.254 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.715 -7.766 87.350 1.00 0.00 H new ATOM 0 HG LEU A 72 19.016 -8.951 85.400 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.840 -9.580 84.392 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.740 -9.475 86.166 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.083 -8.164 85.158 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.395 -8.138 83.133 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.704 -6.668 83.859 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.451 -6.982 83.979 1.00 0.00 H new ATOM 1130 N LEU A 73 17.351 -4.216 86.586 1.00 0.00 N ATOM 1131 CA LEU A 73 17.550 -2.831 87.077 1.00 0.00 C ATOM 1132 C LEU A 73 16.247 -2.376 87.734 1.00 0.00 C ATOM 1133 O LEU A 73 16.221 -1.476 88.546 1.00 0.00 O ATOM 1134 CB LEU A 73 17.901 -1.906 85.906 1.00 0.00 C ATOM 1135 CG LEU A 73 19.274 -2.296 85.327 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.111 -3.401 84.280 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.917 -1.075 84.668 1.00 0.00 C ATOM 0 H LEU A 73 17.337 -4.318 85.571 1.00 0.00 H new ATOM 0 HA LEU A 73 18.369 -2.795 87.796 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.136 -1.977 85.132 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.919 -0.869 86.242 1.00 0.00 H new ATOM 0 HG LEU A 73 19.907 -2.658 86.137 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.088 -3.668 83.878 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.657 -4.277 84.743 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.471 -3.045 83.472 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.889 -1.352 84.259 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.274 -0.714 83.865 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.047 -0.287 85.410 1.00 0.00 H new ATOM 1149 N SER A 74 15.158 -3.008 87.396 1.00 0.00 N ATOM 1150 CA SER A 74 13.868 -2.621 88.019 1.00 0.00 C ATOM 1151 C SER A 74 13.967 -2.787 89.542 1.00 0.00 C ATOM 1152 O SER A 74 13.599 -1.909 90.304 1.00 0.00 O ATOM 1153 CB SER A 74 12.740 -3.490 87.461 1.00 0.00 C ATOM 1154 OG SER A 74 11.489 -2.930 87.836 1.00 0.00 O ATOM 0 H SER A 74 15.108 -3.770 86.720 1.00 0.00 H new ATOM 0 HA SER A 74 13.650 -1.578 87.788 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.814 -3.550 86.375 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.826 -4.507 87.843 1.00 0.00 H new ATOM 0 HG SER A 74 11.376 -2.060 87.400 1.00 0.00 H new ATOM 1160 N ALA A 75 14.472 -3.902 89.997 1.00 0.00 N ATOM 1161 CA ALA A 75 14.599 -4.112 91.475 1.00 0.00 C ATOM 1162 C ALA A 75 15.668 -3.173 92.036 1.00 0.00 C ATOM 1163 O ALA A 75 15.566 -2.685 93.145 1.00 0.00 O ATOM 1164 CB ALA A 75 14.990 -5.563 91.756 1.00 0.00 C ATOM 0 H ALA A 75 14.801 -4.674 89.417 1.00 0.00 H new ATOM 0 HA ALA A 75 13.643 -3.898 91.954 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.082 -5.713 92.832 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.223 -6.229 91.361 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.944 -5.782 91.276 1.00 0.00 H new ATOM 1170 N VAL A 76 16.693 -2.915 91.273 1.00 0.00 N ATOM 1171 CA VAL A 76 17.778 -2.012 91.738 1.00 0.00 C ATOM 1172 C VAL A 76 17.165 -0.772 92.412 1.00 0.00 C ATOM 1173 O VAL A 76 17.333 -0.560 93.597 1.00 0.00 O ATOM 1174 CB VAL A 76 18.636 -1.641 90.518 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.608 -0.506 90.852 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.428 -2.885 90.088 1.00 0.00 C ATOM 0 H VAL A 76 16.825 -3.297 90.336 1.00 0.00 H new ATOM 0 HA VAL A 76 18.411 -2.500 92.480 1.00 0.00 H new ATOM 0 HB VAL A 76 17.985 -1.300 89.713 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.202 -0.264 89.971 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.046 0.375 91.163 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.269 -0.819 91.660 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.044 -2.643 89.222 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.067 -3.211 90.909 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.735 -3.685 89.828 1.00 0.00 H new ATOM 1186 N TYR A 77 16.444 0.037 91.685 1.00 0.00 N ATOM 1187 CA TYR A 77 15.816 1.236 92.312 1.00 0.00 C ATOM 1188 C TYR A 77 14.596 0.794 93.133 1.00 0.00 C ATOM 1189 O TYR A 77 13.526 1.359 93.021 1.00 0.00 O ATOM 1190 CB TYR A 77 15.363 2.216 91.219 1.00 0.00 C ATOM 1191 CG TYR A 77 16.190 2.022 89.965 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.391 2.722 89.798 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.748 1.149 88.961 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.145 2.550 88.632 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.504 0.981 87.794 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.703 1.680 87.630 1.00 0.00 C ATOM 1197 OH TYR A 77 18.449 1.513 86.479 1.00 0.00 O ATOM 0 H TYR A 77 16.263 -0.079 90.688 1.00 0.00 H new ATOM 0 HA TYR A 77 16.541 1.728 92.960 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.308 2.059 90.995 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.465 3.241 91.575 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.735 3.395 90.569 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.823 0.605 89.088 1.00 0.00 H new ATOM 0 HE1 TYR A 77 19.071 3.091 88.505 1.00 0.00 H new ATOM 0 HE2 TYR A 77 16.160 0.311 87.020 1.00 0.00 H new ATOM 0 HH TYR A 77 17.870 1.619 85.696 1.00 0.00 H new ATOM 1207 N GLU A 78 14.742 -0.217 93.948 1.00 0.00 N ATOM 1208 CA GLU A 78 13.581 -0.697 94.763 1.00 0.00 C ATOM 1209 C GLU A 78 13.992 -0.875 96.222 1.00 0.00 C ATOM 1210 O GLU A 78 13.178 -0.785 97.118 1.00 0.00 O ATOM 1211 CB GLU A 78 13.109 -2.050 94.224 1.00 0.00 C ATOM 1212 CG GLU A 78 11.674 -2.317 94.683 1.00 0.00 C ATOM 1213 CD GLU A 78 11.377 -3.812 94.551 1.00 0.00 C ATOM 1214 OE1 GLU A 78 12.046 -4.458 93.762 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.490 -4.284 95.243 1.00 0.00 O ATOM 0 H GLU A 78 15.612 -0.732 94.086 1.00 0.00 H new ATOM 0 HA GLU A 78 12.782 0.041 94.698 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.160 -2.056 93.135 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.768 -2.843 94.578 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.544 -1.998 95.717 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.973 -1.740 94.081 1.00 0.00 H new ATOM 1222 N GLY A 79 15.235 -1.169 96.472 1.00 0.00 N ATOM 1223 CA GLY A 79 15.662 -1.404 97.878 1.00 0.00 C ATOM 1224 C GLY A 79 15.457 -2.887 98.165 1.00 0.00 C ATOM 1225 O GLY A 79 15.821 -3.396 99.207 1.00 0.00 O ATOM 0 H GLY A 79 15.970 -1.257 95.770 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.707 -1.126 98.015 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.077 -0.794 98.566 1.00 0.00 H new ATOM 1229 N HIS A 80 14.886 -3.589 97.219 1.00 0.00 N ATOM 1230 CA HIS A 80 14.659 -5.042 97.395 1.00 0.00 C ATOM 1231 C HIS A 80 15.973 -5.754 97.111 1.00 0.00 C ATOM 1232 O HIS A 80 16.542 -6.391 97.971 1.00 0.00 O ATOM 1233 CB HIS A 80 13.601 -5.513 96.387 1.00 0.00 C ATOM 1234 CG HIS A 80 12.230 -5.417 96.994 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.342 -6.485 96.997 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.578 -4.387 97.620 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.217 -6.075 97.601 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.304 -4.804 98.003 1.00 0.00 N ATOM 0 H HIS A 80 14.567 -3.208 96.328 1.00 0.00 H new ATOM 0 HA HIS A 80 14.314 -5.259 98.406 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.651 -4.904 95.484 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.804 -6.542 96.089 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.988 -3.403 97.791 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.346 -6.697 97.745 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.592 -4.257 98.486 1.00 0.00 H new ATOM 1246 N VAL A 81 16.446 -5.629 95.901 1.00 0.00 N ATOM 1247 CA VAL A 81 17.723 -6.271 95.498 1.00 0.00 C ATOM 1248 C VAL A 81 17.892 -7.629 96.178 1.00 0.00 C ATOM 1249 O VAL A 81 18.961 -8.217 96.180 1.00 0.00 O ATOM 1250 CB VAL A 81 18.894 -5.320 95.784 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.059 -4.374 94.585 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.589 -4.486 97.036 1.00 0.00 C ATOM 0 H VAL A 81 15.988 -5.096 95.161 1.00 0.00 H new ATOM 0 HA VAL A 81 17.707 -6.465 94.425 1.00 0.00 H new ATOM 0 HB VAL A 81 19.805 -5.896 95.945 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.888 -3.691 94.772 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.265 -4.957 93.687 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.142 -3.802 94.444 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.422 -3.812 97.236 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.682 -3.904 96.873 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.446 -5.149 97.889 1.00 0.00 H new ATOM 1262 N SER A 82 16.821 -8.175 96.677 1.00 0.00 N ATOM 1263 CA SER A 82 16.890 -9.532 97.262 1.00 0.00 C ATOM 1264 C SER A 82 16.809 -10.474 96.068 1.00 0.00 C ATOM 1265 O SER A 82 17.219 -11.620 96.106 1.00 0.00 O ATOM 1266 CB SER A 82 15.712 -9.766 98.222 1.00 0.00 C ATOM 1267 OG SER A 82 16.180 -9.691 99.563 1.00 0.00 O ATOM 0 H SER A 82 15.901 -7.736 96.703 1.00 0.00 H new ATOM 0 HA SER A 82 17.799 -9.686 97.844 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.936 -9.020 98.053 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.263 -10.741 98.035 1.00 0.00 H new ATOM 0 HG SER A 82 15.432 -9.838 100.179 1.00 0.00 H new ATOM 1273 N CYS A 83 16.288 -9.946 94.987 1.00 0.00 N ATOM 1274 CA CYS A 83 16.159 -10.722 93.724 1.00 0.00 C ATOM 1275 C CYS A 83 17.477 -10.632 92.947 1.00 0.00 C ATOM 1276 O CYS A 83 18.070 -11.637 92.619 1.00 0.00 O ATOM 1277 CB CYS A 83 15.023 -10.125 92.887 1.00 0.00 C ATOM 1278 SG CYS A 83 15.366 -10.334 91.124 1.00 0.00 S ATOM 0 H CYS A 83 15.941 -8.989 94.931 1.00 0.00 H new ATOM 0 HA CYS A 83 15.938 -11.766 93.944 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.081 -10.611 93.141 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.909 -9.066 93.119 1.00 0.00 H new ATOM 0 HG CYS A 83 14.393 -9.824 90.429 1.00 0.00 H new ATOM 1284 N VAL A 84 17.953 -9.439 92.657 1.00 0.00 N ATOM 1285 CA VAL A 84 19.244 -9.319 91.910 1.00 0.00 C ATOM 1286 C VAL A 84 20.175 -10.431 92.385 1.00 0.00 C ATOM 1287 O VAL A 84 20.903 -11.021 91.618 1.00 0.00 O ATOM 1288 CB VAL A 84 19.895 -7.965 92.182 1.00 0.00 C ATOM 1289 CG1 VAL A 84 19.003 -6.840 91.649 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.102 -7.785 93.681 1.00 0.00 C ATOM 0 H VAL A 84 17.507 -8.555 92.903 1.00 0.00 H new ATOM 0 HA VAL A 84 19.056 -9.403 90.840 1.00 0.00 H new ATOM 0 HB VAL A 84 20.860 -7.927 91.676 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.474 -5.877 91.847 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.865 -6.963 90.575 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.033 -6.878 92.146 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.567 -6.817 93.871 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.139 -7.831 94.189 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.749 -8.578 94.057 1.00 0.00 H new ATOM 1300 N LYS A 85 20.133 -10.735 93.652 1.00 0.00 N ATOM 1301 CA LYS A 85 20.987 -11.824 94.181 1.00 0.00 C ATOM 1302 C LYS A 85 20.488 -13.155 93.586 1.00 0.00 C ATOM 1303 O LYS A 85 21.194 -13.849 92.873 1.00 0.00 O ATOM 1304 CB LYS A 85 20.857 -11.846 95.719 1.00 0.00 C ATOM 1305 CG LYS A 85 22.183 -11.441 96.386 1.00 0.00 C ATOM 1306 CD LYS A 85 22.373 -9.924 96.286 1.00 0.00 C ATOM 1307 CE LYS A 85 23.705 -9.520 96.930 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.837 -10.172 98.264 1.00 0.00 N ATOM 0 H LYS A 85 19.541 -10.273 94.342 1.00 0.00 H new ATOM 0 HA LYS A 85 22.032 -11.672 93.912 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.065 -11.165 96.031 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.568 -12.844 96.050 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.183 -11.748 97.432 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.015 -11.953 95.903 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.356 -9.615 95.241 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.549 -9.412 96.783 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.535 -9.814 96.287 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.754 -8.436 97.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.539 -9.658 98.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.918 -10.156 98.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.146 -11.157 98.140 1.00 0.00 H new ATOM 1322 N LEU A 86 19.255 -13.491 93.874 1.00 0.00 N ATOM 1323 CA LEU A 86 18.632 -14.745 93.354 1.00 0.00 C ATOM 1324 C LEU A 86 18.543 -14.669 91.826 1.00 0.00 C ATOM 1325 O LEU A 86 18.173 -15.610 91.158 1.00 0.00 O ATOM 1326 CB LEU A 86 17.247 -14.857 94.042 1.00 0.00 C ATOM 1327 CG LEU A 86 16.077 -15.128 93.075 1.00 0.00 C ATOM 1328 CD1 LEU A 86 15.938 -14.018 92.019 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.236 -16.498 92.399 1.00 0.00 C ATOM 0 H LEU A 86 18.639 -12.932 94.464 1.00 0.00 H new ATOM 0 HA LEU A 86 19.216 -15.638 93.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.285 -15.658 94.781 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.048 -13.933 94.584 1.00 0.00 H new ATOM 0 HG LEU A 86 15.162 -15.134 93.667 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.102 -14.247 91.358 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.757 -13.064 92.515 1.00 0.00 H new ATOM 0 HD13 LEU A 86 16.856 -13.955 91.435 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.400 -16.668 91.721 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.169 -16.520 91.836 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.252 -17.279 93.159 1.00 0.00 H new ATOM 1341 N LEU A 87 18.869 -13.539 91.265 1.00 0.00 N ATOM 1342 CA LEU A 87 18.781 -13.380 89.783 1.00 0.00 C ATOM 1343 C LEU A 87 20.014 -13.939 89.052 1.00 0.00 C ATOM 1344 O LEU A 87 19.915 -14.933 88.360 1.00 0.00 O ATOM 1345 CB LEU A 87 18.623 -11.895 89.455 1.00 0.00 C ATOM 1346 CG LEU A 87 17.342 -11.683 88.653 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.102 -10.189 88.456 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.477 -12.365 87.282 1.00 0.00 C ATOM 0 H LEU A 87 19.194 -12.714 91.769 1.00 0.00 H new ATOM 0 HA LEU A 87 17.919 -13.951 89.438 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.590 -11.310 90.374 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.483 -11.544 88.885 1.00 0.00 H new ATOM 0 HG LEU A 87 16.501 -12.116 89.194 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.187 -10.040 87.883 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.005 -9.705 89.428 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.943 -9.753 87.916 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.562 -12.214 86.709 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.319 -11.933 86.742 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.645 -13.433 87.422 1.00 0.00 H new ATOM 1360 N LEU A 88 21.168 -13.298 89.137 1.00 0.00 N ATOM 1361 CA LEU A 88 22.334 -13.830 88.364 1.00 0.00 C ATOM 1362 C LEU A 88 22.481 -15.322 88.620 1.00 0.00 C ATOM 1363 O LEU A 88 23.140 -16.028 87.881 1.00 0.00 O ATOM 1364 CB LEU A 88 23.650 -13.080 88.662 1.00 0.00 C ATOM 1365 CG LEU A 88 24.198 -13.383 90.062 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.091 -13.240 91.097 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.785 -14.805 90.111 1.00 0.00 C ATOM 0 H LEU A 88 21.343 -12.459 89.690 1.00 0.00 H new ATOM 0 HA LEU A 88 22.129 -13.662 87.307 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.397 -13.354 87.917 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.482 -12.007 88.566 1.00 0.00 H new ATOM 0 HG LEU A 88 24.991 -12.670 90.289 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.489 -13.457 92.088 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.703 -12.221 91.077 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.287 -13.939 90.868 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.170 -15.005 91.111 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.006 -15.529 89.870 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.595 -14.889 89.387 1.00 0.00 H new ATOM 1379 N SER A 89 21.832 -15.828 89.624 1.00 0.00 N ATOM 1380 CA SER A 89 21.900 -17.290 89.865 1.00 0.00 C ATOM 1381 C SER A 89 21.358 -17.969 88.606 1.00 0.00 C ATOM 1382 O SER A 89 21.482 -19.162 88.412 1.00 0.00 O ATOM 1383 CB SER A 89 21.031 -17.659 91.067 1.00 0.00 C ATOM 1384 OG SER A 89 20.559 -18.992 90.916 1.00 0.00 O ATOM 0 H SER A 89 21.262 -15.298 90.283 1.00 0.00 H new ATOM 0 HA SER A 89 22.922 -17.607 90.075 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.607 -17.567 91.988 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.190 -16.970 91.147 1.00 0.00 H new ATOM 0 HG SER A 89 21.071 -19.442 90.212 1.00 0.00 H new ATOM 1390 N LYS A 90 20.751 -17.186 87.746 1.00 0.00 N ATOM 1391 CA LYS A 90 20.178 -17.724 86.480 1.00 0.00 C ATOM 1392 C LYS A 90 20.929 -17.124 85.289 1.00 0.00 C ATOM 1393 O LYS A 90 20.868 -17.626 84.184 1.00 0.00 O ATOM 1394 CB LYS A 90 18.701 -17.326 86.402 1.00 0.00 C ATOM 1395 CG LYS A 90 17.900 -18.166 87.399 1.00 0.00 C ATOM 1396 CD LYS A 90 16.413 -17.803 87.326 1.00 0.00 C ATOM 1397 CE LYS A 90 16.189 -16.379 87.846 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.045 -16.134 89.042 1.00 0.00 N ATOM 0 H LYS A 90 20.629 -16.181 87.874 1.00 0.00 H new ATOM 0 HA LYS A 90 20.273 -18.810 86.458 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.585 -16.266 86.626 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.323 -17.481 85.391 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.034 -19.226 87.182 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.273 -17.998 88.409 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.062 -17.881 86.297 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.829 -18.509 87.916 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.425 -15.656 87.065 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.139 -16.238 88.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.626 -15.377 89.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.110 -17.005 89.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.997 -15.848 88.735 1.00 0.00 H new ATOM 1412 N GLY A 91 21.643 -16.053 85.510 1.00 0.00 N ATOM 1413 CA GLY A 91 22.406 -15.408 84.404 1.00 0.00 C ATOM 1414 C GLY A 91 22.142 -13.901 84.405 1.00 0.00 C ATOM 1415 O GLY A 91 22.739 -13.156 85.157 1.00 0.00 O ATOM 0 H GLY A 91 21.731 -15.594 86.417 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.472 -15.600 84.525 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.111 -15.838 83.447 1.00 0.00 H new ATOM 1419 N ALA A 92 21.247 -13.447 83.570 1.00 0.00 N ATOM 1420 CA ALA A 92 20.934 -11.989 83.519 1.00 0.00 C ATOM 1421 C ALA A 92 22.218 -11.168 83.457 1.00 0.00 C ATOM 1422 O ALA A 92 22.176 -9.959 83.554 1.00 0.00 O ATOM 1423 CB ALA A 92 20.168 -11.594 84.790 1.00 0.00 C ATOM 0 H ALA A 92 20.717 -14.025 82.918 1.00 0.00 H new ATOM 0 HA ALA A 92 20.335 -11.792 82.630 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.936 -10.529 84.759 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.242 -12.166 84.849 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.782 -11.806 85.665 1.00 0.00 H new ATOM 1429 N ASP A 93 23.359 -11.789 83.318 1.00 0.00 N ATOM 1430 CA ASP A 93 24.615 -10.987 83.290 1.00 0.00 C ATOM 1431 C ASP A 93 24.537 -9.991 84.448 1.00 0.00 C ATOM 1432 O ASP A 93 24.805 -10.313 85.587 1.00 0.00 O ATOM 1433 CB ASP A 93 24.708 -10.228 81.959 1.00 0.00 C ATOM 1434 CG ASP A 93 25.879 -9.243 82.005 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.957 -9.650 82.403 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.677 -8.096 81.636 1.00 0.00 O ATOM 0 H ASP A 93 23.475 -12.798 83.224 1.00 0.00 H new ATOM 0 HA ASP A 93 25.492 -11.627 83.386 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.844 -10.931 81.137 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.778 -9.693 81.769 1.00 0.00 H new ATOM 1441 N LYS A 94 24.121 -8.800 84.158 1.00 0.00 N ATOM 1442 CA LYS A 94 23.951 -7.773 85.211 1.00 0.00 C ATOM 1443 C LYS A 94 23.114 -6.657 84.610 1.00 0.00 C ATOM 1444 O LYS A 94 22.189 -6.143 85.207 1.00 0.00 O ATOM 1445 CB LYS A 94 25.312 -7.233 85.666 1.00 0.00 C ATOM 1446 CG LYS A 94 26.244 -7.022 84.464 1.00 0.00 C ATOM 1447 CD LYS A 94 27.322 -5.988 84.824 1.00 0.00 C ATOM 1448 CE LYS A 94 26.805 -4.574 84.532 1.00 0.00 C ATOM 1449 NZ LYS A 94 27.844 -3.573 84.916 1.00 0.00 N ATOM 0 H LYS A 94 23.886 -8.487 83.216 1.00 0.00 H new ATOM 0 HA LYS A 94 23.463 -8.199 86.088 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.176 -6.290 86.196 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.769 -7.930 86.368 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.711 -7.966 84.182 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.671 -6.680 83.602 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.587 -6.078 85.877 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.228 -6.179 84.250 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.564 -4.475 83.474 1.00 0.00 H new ATOM 0 HE3 LYS A 94 25.885 -4.390 85.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.806 -2.765 84.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 27.666 -3.242 85.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.785 -4.013 84.868 1.00 0.00 H new ATOM 1463 N THR A 95 23.448 -6.306 83.411 1.00 0.00 N ATOM 1464 CA THR A 95 22.728 -5.252 82.676 1.00 0.00 C ATOM 1465 C THR A 95 22.954 -5.549 81.189 1.00 0.00 C ATOM 1466 O THR A 95 23.702 -4.883 80.505 1.00 0.00 O ATOM 1467 CB THR A 95 23.301 -3.901 83.113 1.00 0.00 C ATOM 1468 OG1 THR A 95 22.565 -3.438 84.238 1.00 0.00 O ATOM 1469 CG2 THR A 95 23.216 -2.864 81.991 1.00 0.00 C ATOM 0 H THR A 95 24.221 -6.724 82.893 1.00 0.00 H new ATOM 0 HA THR A 95 21.656 -5.223 82.873 1.00 0.00 H new ATOM 0 HB THR A 95 24.353 -4.035 83.365 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.260 -4.204 84.768 1.00 0.00 H new ATOM 0 HG21 THR A 95 23.632 -1.918 82.338 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.782 -3.215 81.128 1.00 0.00 H new ATOM 0 HG23 THR A 95 22.174 -2.720 81.707 1.00 0.00 H new ATOM 1477 N VAL A 96 22.365 -6.611 80.716 1.00 0.00 N ATOM 1478 CA VAL A 96 22.588 -7.045 79.308 1.00 0.00 C ATOM 1479 C VAL A 96 21.869 -6.126 78.300 1.00 0.00 C ATOM 1480 O VAL A 96 21.817 -6.420 77.121 1.00 0.00 O ATOM 1481 CB VAL A 96 22.111 -8.517 79.189 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.989 -8.668 78.159 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.288 -9.406 78.775 1.00 0.00 C ATOM 0 H VAL A 96 21.731 -7.204 81.251 1.00 0.00 H new ATOM 0 HA VAL A 96 23.648 -6.975 79.062 1.00 0.00 H new ATOM 0 HB VAL A 96 21.726 -8.820 80.163 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.683 -9.713 78.105 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.138 -8.055 78.456 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.346 -8.344 77.182 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.952 -10.439 78.692 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.675 -9.072 77.813 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.075 -9.340 79.526 1.00 0.00 H new ATOM 1493 N LYS A 97 21.346 -5.003 78.730 1.00 0.00 N ATOM 1494 CA LYS A 97 20.679 -4.090 77.748 1.00 0.00 C ATOM 1495 C LYS A 97 20.447 -2.677 78.334 1.00 0.00 C ATOM 1496 O LYS A 97 19.786 -1.863 77.721 1.00 0.00 O ATOM 1497 CB LYS A 97 19.340 -4.699 77.321 1.00 0.00 C ATOM 1498 CG LYS A 97 19.314 -4.888 75.801 1.00 0.00 C ATOM 1499 CD LYS A 97 17.877 -5.156 75.350 1.00 0.00 C ATOM 1500 CE LYS A 97 17.870 -5.716 73.924 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.188 -7.171 73.955 1.00 0.00 N ATOM 0 H LYS A 97 21.351 -4.683 79.698 1.00 0.00 H new ATOM 0 HA LYS A 97 21.339 -3.983 76.887 1.00 0.00 H new ATOM 0 HB2 LYS A 97 19.192 -5.658 77.818 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.520 -4.050 77.630 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.703 -3.998 75.306 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.958 -5.719 75.515 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.400 -5.863 76.029 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.297 -4.234 75.390 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.894 -5.557 73.465 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.600 -5.187 73.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.067 -7.573 73.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.172 -7.305 74.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.548 -7.652 74.618 1.00 0.00 H new ATOM 1515 N GLY A 98 20.976 -2.360 79.491 1.00 0.00 N ATOM 1516 CA GLY A 98 20.760 -0.986 80.052 1.00 0.00 C ATOM 1517 C GLY A 98 21.607 0.008 79.261 1.00 0.00 C ATOM 1518 O GLY A 98 22.369 -0.388 78.402 1.00 0.00 O ATOM 0 H GLY A 98 21.542 -2.984 80.067 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.706 -0.715 79.992 1.00 0.00 H new ATOM 0 HA3 GLY A 98 21.036 -0.961 81.106 1.00 0.00 H new ATOM 1522 N PRO A 99 21.476 1.271 79.583 1.00 0.00 N ATOM 1523 CA PRO A 99 22.257 2.326 78.918 1.00 0.00 C ATOM 1524 C PRO A 99 23.685 1.833 78.708 1.00 0.00 C ATOM 1525 O PRO A 99 24.090 1.497 77.615 1.00 0.00 O ATOM 1526 CB PRO A 99 22.195 3.498 79.912 1.00 0.00 C ATOM 1527 CG PRO A 99 20.982 3.228 80.838 1.00 0.00 C ATOM 1528 CD PRO A 99 20.566 1.757 80.634 1.00 0.00 C ATOM 0 HA PRO A 99 21.883 2.611 77.935 1.00 0.00 H new ATOM 0 HB2 PRO A 99 23.117 3.565 80.490 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.078 4.446 79.387 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.246 3.412 81.880 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.157 3.898 80.595 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.674 1.181 81.553 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.523 1.676 80.328 1.00 0.00 H new ATOM 1536 N ASP A 100 24.430 1.769 79.763 1.00 0.00 N ATOM 1537 CA ASP A 100 25.822 1.279 79.675 1.00 0.00 C ATOM 1538 C ASP A 100 26.301 1.017 81.096 1.00 0.00 C ATOM 1539 O ASP A 100 25.778 0.166 81.794 1.00 0.00 O ATOM 1540 CB ASP A 100 26.709 2.335 79.005 1.00 0.00 C ATOM 1541 CG ASP A 100 28.160 1.845 78.984 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.359 0.646 78.875 1.00 0.00 O ATOM 1543 OD2 ASP A 100 29.047 2.678 79.077 1.00 0.00 O ATOM 0 H ASP A 100 24.129 2.040 80.699 1.00 0.00 H new ATOM 0 HA ASP A 100 25.874 0.368 79.078 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.363 2.524 77.989 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.641 3.279 79.546 1.00 0.00 H new ATOM 1548 N GLY A 101 27.267 1.754 81.543 1.00 0.00 N ATOM 1549 CA GLY A 101 27.753 1.556 82.924 1.00 0.00 C ATOM 1550 C GLY A 101 26.640 1.932 83.908 1.00 0.00 C ATOM 1551 O GLY A 101 26.801 1.819 85.114 1.00 0.00 O ATOM 0 H GLY A 101 27.741 2.485 81.012 1.00 0.00 H new ATOM 0 HA2 GLY A 101 28.051 0.518 83.072 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.636 2.170 83.103 1.00 0.00 H new ATOM 1555 N LEU A 102 25.489 2.362 83.432 1.00 0.00 N ATOM 1556 CA LEU A 102 24.429 2.714 84.408 1.00 0.00 C ATOM 1557 C LEU A 102 24.212 1.547 85.309 1.00 0.00 C ATOM 1558 O LEU A 102 24.543 1.596 86.474 1.00 0.00 O ATOM 1559 CB LEU A 102 23.083 3.062 83.766 1.00 0.00 C ATOM 1560 CG LEU A 102 22.141 3.594 84.867 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.939 4.305 84.256 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.631 2.444 85.748 1.00 0.00 C ATOM 0 H LEU A 102 25.253 2.478 82.446 1.00 0.00 H new ATOM 0 HA LEU A 102 24.776 3.602 84.937 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.217 3.812 82.987 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.651 2.182 83.290 1.00 0.00 H new ATOM 0 HG LEU A 102 22.713 4.297 85.473 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.290 4.671 85.051 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.282 5.145 83.652 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.385 3.608 83.627 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.969 2.841 86.517 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.085 1.729 85.133 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.477 1.944 86.220 1.00 0.00 H new ATOM 1574 N THR A 103 23.628 0.506 84.798 1.00 0.00 N ATOM 1575 CA THR A 103 23.360 -0.666 85.659 1.00 0.00 C ATOM 1576 C THR A 103 23.277 -0.199 87.113 1.00 0.00 C ATOM 1577 O THR A 103 22.331 0.442 87.537 1.00 0.00 O ATOM 1578 CB THR A 103 24.513 -1.660 85.525 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.521 -2.529 86.648 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.844 -0.909 85.447 1.00 0.00 C ATOM 0 H THR A 103 23.327 0.418 83.827 1.00 0.00 H new ATOM 0 HA THR A 103 22.425 -1.141 85.361 1.00 0.00 H new ATOM 0 HB THR A 103 24.380 -2.243 84.614 1.00 0.00 H new ATOM 0 HG1 THR A 103 23.908 -3.277 86.487 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.661 -1.625 85.352 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.838 -0.247 84.581 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.983 -0.319 86.353 1.00 0.00 H new ATOM 1588 N ALA A 104 24.267 -0.522 87.876 1.00 0.00 N ATOM 1589 CA ALA A 104 24.280 -0.126 89.310 1.00 0.00 C ATOM 1590 C ALA A 104 25.034 1.208 89.515 1.00 0.00 C ATOM 1591 O ALA A 104 24.804 1.908 90.478 1.00 0.00 O ATOM 1592 CB ALA A 104 24.968 -1.240 90.106 1.00 0.00 C ATOM 0 H ALA A 104 25.083 -1.051 87.569 1.00 0.00 H new ATOM 0 HA ALA A 104 23.256 0.018 89.654 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.990 -0.972 91.162 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.417 -2.172 89.979 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.988 -1.370 89.743 1.00 0.00 H new ATOM 1598 N LEU A 105 25.962 1.540 88.648 1.00 0.00 N ATOM 1599 CA LEU A 105 26.763 2.785 88.836 1.00 0.00 C ATOM 1600 C LEU A 105 25.904 4.055 88.913 1.00 0.00 C ATOM 1601 O LEU A 105 25.842 4.707 89.940 1.00 0.00 O ATOM 1602 CB LEU A 105 27.727 2.947 87.668 1.00 0.00 C ATOM 1603 CG LEU A 105 28.458 1.635 87.377 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.520 1.896 86.307 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.133 1.111 88.652 1.00 0.00 C ATOM 0 H LEU A 105 26.197 0.998 87.817 1.00 0.00 H new ATOM 0 HA LEU A 105 27.285 2.673 89.786 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.180 3.267 86.781 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.452 3.729 87.895 1.00 0.00 H new ATOM 0 HG LEU A 105 27.745 0.888 87.027 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.051 0.970 86.088 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.040 2.263 85.400 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.227 2.642 86.670 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.650 0.177 88.432 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.851 1.847 89.012 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.378 0.936 89.418 1.00 0.00 H new ATOM 1617 N GLU A 106 25.288 4.444 87.830 1.00 0.00 N ATOM 1618 CA GLU A 106 24.492 5.702 87.838 1.00 0.00 C ATOM 1619 C GLU A 106 23.125 5.448 88.489 1.00 0.00 C ATOM 1620 O GLU A 106 22.302 6.342 88.603 1.00 0.00 O ATOM 1621 CB GLU A 106 24.348 6.198 86.376 1.00 0.00 C ATOM 1622 CG GLU A 106 22.930 6.706 86.073 1.00 0.00 C ATOM 1623 CD GLU A 106 22.740 8.112 86.645 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.570 8.530 87.437 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.762 8.745 86.286 1.00 0.00 O ATOM 0 H GLU A 106 25.302 3.945 86.941 1.00 0.00 H new ATOM 0 HA GLU A 106 24.993 6.473 88.423 1.00 0.00 H new ATOM 0 HB2 GLU A 106 25.066 6.998 86.193 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.595 5.386 85.692 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.762 6.718 84.996 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.193 6.028 86.503 1.00 0.00 H new ATOM 1632 N ALA A 107 22.872 4.240 88.921 1.00 0.00 N ATOM 1633 CA ALA A 107 21.556 3.943 89.558 1.00 0.00 C ATOM 1634 C ALA A 107 21.471 4.451 91.010 1.00 0.00 C ATOM 1635 O ALA A 107 20.480 5.043 91.388 1.00 0.00 O ATOM 1636 CB ALA A 107 21.317 2.435 89.572 1.00 0.00 C ATOM 0 H ALA A 107 23.516 3.451 88.861 1.00 0.00 H new ATOM 0 HA ALA A 107 20.800 4.460 88.967 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.355 2.223 90.038 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.316 2.057 88.550 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.110 1.946 90.138 1.00 0.00 H new ATOM 1642 N THR A 108 22.436 4.188 91.862 1.00 0.00 N ATOM 1643 CA THR A 108 22.260 4.641 93.277 1.00 0.00 C ATOM 1644 C THR A 108 23.581 4.818 94.030 1.00 0.00 C ATOM 1645 O THR A 108 24.622 5.102 93.471 1.00 0.00 O ATOM 1646 CB THR A 108 21.472 3.559 93.998 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.179 3.981 95.323 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.321 2.286 94.036 1.00 0.00 C ATOM 0 H THR A 108 23.305 3.698 91.650 1.00 0.00 H new ATOM 0 HA THR A 108 21.762 5.610 93.255 1.00 0.00 H new ATOM 0 HB THR A 108 20.535 3.368 93.476 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.037 4.951 95.334 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.772 1.497 94.550 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.545 1.968 93.018 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.252 2.485 94.567 1.00 0.00 H new ATOM 1656 N ASP A 109 23.508 4.633 95.328 1.00 0.00 N ATOM 1657 CA ASP A 109 24.699 4.754 96.202 1.00 0.00 C ATOM 1658 C ASP A 109 24.606 3.715 97.325 1.00 0.00 C ATOM 1659 O ASP A 109 25.532 3.550 98.094 1.00 0.00 O ATOM 1660 CB ASP A 109 24.773 6.158 96.810 1.00 0.00 C ATOM 1661 CG ASP A 109 26.038 6.274 97.665 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.118 6.241 97.098 1.00 0.00 O ATOM 1663 OD2 ASP A 109 25.906 6.392 98.873 1.00 0.00 O ATOM 0 H ASP A 109 22.647 4.398 95.821 1.00 0.00 H new ATOM 0 HA ASP A 109 25.596 4.581 95.608 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.784 6.909 96.020 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.890 6.350 97.419 1.00 0.00 H new ATOM 1668 N ASN A 110 23.517 2.981 97.416 1.00 0.00 N ATOM 1669 CA ASN A 110 23.438 1.939 98.486 1.00 0.00 C ATOM 1670 C ASN A 110 24.296 0.765 98.017 1.00 0.00 C ATOM 1671 O ASN A 110 24.330 0.436 96.850 1.00 0.00 O ATOM 1672 CB ASN A 110 21.985 1.509 98.760 1.00 0.00 C ATOM 1673 CG ASN A 110 21.407 0.789 97.555 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.008 0.896 96.416 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.397 0.121 97.657 1.00 0.00 N flip ATOM 0 H ASN A 110 22.700 3.057 96.810 1.00 0.00 H new ATOM 0 HA ASN A 110 23.807 2.333 99.433 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.951 0.856 99.632 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.379 2.384 98.994 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.928 0.041 98.559 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.019 -0.359 96.841 1.00 0.00 H new ATOM 1682 N GLN A 111 25.059 0.203 98.903 1.00 0.00 N ATOM 1683 CA GLN A 111 26.018 -0.877 98.519 1.00 0.00 C ATOM 1684 C GLN A 111 25.348 -2.231 98.181 1.00 0.00 C ATOM 1685 O GLN A 111 26.029 -3.194 97.891 1.00 0.00 O ATOM 1686 CB GLN A 111 27.022 -1.013 99.669 1.00 0.00 C ATOM 1687 CG GLN A 111 27.724 -2.366 99.638 1.00 0.00 C ATOM 1688 CD GLN A 111 28.880 -2.322 100.632 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.027 -1.359 101.358 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.710 -3.319 100.699 1.00 0.00 N ATOM 0 H GLN A 111 25.064 0.445 99.894 1.00 0.00 H new ATOM 0 HA GLN A 111 26.512 -0.593 97.590 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.762 -0.216 99.604 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.506 -0.891 100.621 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.027 -3.163 99.899 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.092 -2.581 98.635 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.586 -4.127 100.089 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.485 -3.293 101.361 1.00 0.00 H new ATOM 1699 N ALA A 112 24.045 -2.334 98.165 1.00 0.00 N ATOM 1700 CA ALA A 112 23.425 -3.650 97.797 1.00 0.00 C ATOM 1701 C ALA A 112 23.339 -3.725 96.271 1.00 0.00 C ATOM 1702 O ALA A 112 23.626 -4.734 95.640 1.00 0.00 O ATOM 1703 CB ALA A 112 22.021 -3.756 98.396 1.00 0.00 C ATOM 0 H ALA A 112 23.391 -1.583 98.385 1.00 0.00 H new ATOM 0 HA ALA A 112 24.030 -4.469 98.186 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.580 -4.715 98.123 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.082 -3.681 99.482 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.399 -2.948 98.011 1.00 0.00 H new ATOM 1709 N ILE A 113 22.987 -2.630 95.689 1.00 0.00 N ATOM 1710 CA ILE A 113 22.897 -2.527 94.209 1.00 0.00 C ATOM 1711 C ILE A 113 24.304 -2.618 93.658 1.00 0.00 C ATOM 1712 O ILE A 113 24.619 -3.421 92.798 1.00 0.00 O ATOM 1713 CB ILE A 113 22.351 -1.135 93.885 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.826 -1.152 93.830 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.913 -0.643 92.552 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.246 -1.099 95.244 1.00 0.00 C ATOM 0 H ILE A 113 22.749 -1.772 96.186 1.00 0.00 H new ATOM 0 HA ILE A 113 22.263 -3.308 93.789 1.00 0.00 H new ATOM 0 HB ILE A 113 22.663 -0.454 94.677 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.466 -0.302 93.249 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.483 -2.053 93.322 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.516 0.349 92.334 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.000 -0.594 92.611 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.624 -1.332 91.759 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.157 -1.112 95.191 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.592 -1.963 95.812 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.575 -0.185 95.738 1.00 0.00 H new ATOM 1728 N LYS A 114 25.147 -1.781 94.167 1.00 0.00 N ATOM 1729 CA LYS A 114 26.548 -1.766 93.721 1.00 0.00 C ATOM 1730 C LYS A 114 27.095 -3.186 93.848 1.00 0.00 C ATOM 1731 O LYS A 114 28.130 -3.521 93.305 1.00 0.00 O ATOM 1732 CB LYS A 114 27.332 -0.779 94.595 1.00 0.00 C ATOM 1733 CG LYS A 114 26.558 0.551 94.684 1.00 0.00 C ATOM 1734 CD LYS A 114 26.666 1.315 93.361 1.00 0.00 C ATOM 1735 CE LYS A 114 26.285 2.780 93.583 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.318 3.438 94.432 1.00 0.00 N ATOM 0 H LYS A 114 24.918 -1.095 94.886 1.00 0.00 H new ATOM 0 HA LYS A 114 26.639 -1.444 92.684 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.478 -1.195 95.592 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.322 -0.609 94.172 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.511 0.356 94.915 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.956 1.158 95.497 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.682 1.248 92.972 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.009 0.867 92.616 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.204 3.295 92.626 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.309 2.844 94.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.330 4.459 94.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.094 3.281 95.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.252 3.034 94.218 1.00 0.00 H new ATOM 1750 N ALA A 115 26.379 -4.036 94.545 1.00 0.00 N ATOM 1751 CA ALA A 115 26.829 -5.443 94.686 1.00 0.00 C ATOM 1752 C ALA A 115 26.804 -6.099 93.309 1.00 0.00 C ATOM 1753 O ALA A 115 27.697 -6.838 92.950 1.00 0.00 O ATOM 1754 CB ALA A 115 25.908 -6.205 95.642 1.00 0.00 C ATOM 0 H ALA A 115 25.505 -3.810 95.019 1.00 0.00 H new ATOM 0 HA ALA A 115 27.839 -5.465 95.095 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.252 -7.235 95.734 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.925 -5.727 96.622 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.890 -6.196 95.252 1.00 0.00 H new ATOM 1760 N LEU A 116 25.789 -5.836 92.520 1.00 0.00 N ATOM 1761 CA LEU A 116 25.753 -6.454 91.162 1.00 0.00 C ATOM 1762 C LEU A 116 26.828 -5.798 90.285 1.00 0.00 C ATOM 1763 O LEU A 116 27.221 -6.340 89.272 1.00 0.00 O ATOM 1764 CB LEU A 116 24.378 -6.247 90.504 1.00 0.00 C ATOM 1765 CG LEU A 116 23.486 -7.499 90.633 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.297 -7.357 89.681 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.252 -8.781 90.266 1.00 0.00 C ATOM 0 H LEU A 116 25.000 -5.233 92.753 1.00 0.00 H new ATOM 0 HA LEU A 116 25.938 -7.524 91.260 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.878 -5.396 90.966 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.512 -6.004 89.450 1.00 0.00 H new ATOM 0 HG LEU A 116 23.158 -7.577 91.670 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.658 -8.236 89.763 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.725 -6.467 89.944 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.660 -7.266 88.657 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.591 -9.642 90.369 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.602 -8.713 89.236 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.106 -8.898 90.933 1.00 0.00 H new ATOM 1779 N LEU A 117 27.320 -4.647 90.669 1.00 0.00 N ATOM 1780 CA LEU A 117 28.381 -3.989 89.850 1.00 0.00 C ATOM 1781 C LEU A 117 29.694 -4.708 90.153 1.00 0.00 C ATOM 1782 O LEU A 117 30.753 -4.364 89.671 1.00 0.00 O ATOM 1783 CB LEU A 117 28.439 -2.479 90.186 1.00 0.00 C ATOM 1784 CG LEU A 117 29.708 -2.086 90.968 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.906 -1.932 90.011 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.471 -0.736 91.657 1.00 0.00 C ATOM 0 H LEU A 117 27.036 -4.139 91.507 1.00 0.00 H new ATOM 0 HA LEU A 117 28.174 -4.060 88.782 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.396 -1.904 89.261 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.560 -2.208 90.771 1.00 0.00 H new ATOM 0 HG LEU A 117 29.923 -2.866 91.698 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.793 -1.654 90.580 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.085 -2.877 89.498 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.688 -1.156 89.277 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.364 -0.450 92.213 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.253 0.023 90.905 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.628 -0.821 92.343 1.00 0.00 H new ATOM 1798 N GLN A 118 29.597 -5.747 90.930 1.00 0.00 N ATOM 1799 CA GLN A 118 30.792 -6.561 91.279 1.00 0.00 C ATOM 1800 C GLN A 118 31.324 -7.240 90.016 1.00 0.00 C ATOM 1801 O GLN A 118 30.681 -7.115 88.986 1.00 0.00 O ATOM 1802 CB GLN A 118 30.377 -7.648 92.279 1.00 0.00 C ATOM 1803 CG GLN A 118 29.303 -8.547 91.645 1.00 0.00 C ATOM 1804 CD GLN A 118 29.967 -9.612 90.764 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.686 -9.701 89.585 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.839 -10.429 91.290 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.360 -7.878 90.100 1.00 0.00 O ATOM 0 H GLN A 118 28.724 -6.073 91.346 1.00 0.00 H new ATOM 0 HA GLN A 118 31.561 -5.920 91.712 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.244 -8.245 92.564 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.992 -7.190 93.190 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.710 -9.025 92.425 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.618 -7.945 91.048 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.075 -10.355 92.279 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.284 -11.141 90.711 1.00 0.00 H new