USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 638 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 40 ASN : amide:sc= 0.856 K(o=1.9,f=-6.6!) USER MOD Set 1.2: A 52 GLN : amide:sc= 1.06 K(o=1.9,f=-5.9!) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.21 K(o=-1.1,f=-9.2!) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.293 K(o=-1.1,f=-7.1!) USER MOD Set 2.3: A 66 GLN :FLIP amide:sc= -0.228 F(o=-3.8!,f=-1.1) USER MOD Single : A 7 ASN :FLIP amide:sc= 0.846 F(o=-0.35,f=0.85) USER MOD Single : A 11 SER OG : rot 31:sc= 1.29 USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.264 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -87:sc= 1.15 USER MOD Single : A 23 MET CE :methyl -179:sc= -0.592 (180deg=-0.593) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.08) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.0303 K(o=0.03,f=-0.74) USER MOD Single : A 38 MET CE :methyl -143:sc= -0.752 (180deg=-1.84) USER MOD Single : A 42 SER OG : rot -16:sc= 1.17 USER MOD Single : A 45 SER OG : rot -5:sc= 1.28 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 57 SER OG : rot -178:sc= 0.237 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00493 K(o=-0.0049,f=-0.55) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -2:sc= 0.177 USER MOD Single : A 83 THR OG1 : rot 75:sc= -0.0469 USER MOD Single : A 84 MET CE :methyl 157:sc= -0.221 (180deg=-1.27) USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 0.222 (180deg=0.137) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.198) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 6.705 -19.627 0.594 1.00 0.00 N ATOM 2 CA ASN A 7 8.069 -19.802 0.090 1.00 0.00 C ATOM 3 C ASN A 7 8.298 -19.027 -1.209 1.00 0.00 C ATOM 4 O ASN A 7 9.404 -18.554 -1.476 1.00 0.00 O ATOM 5 CB ASN A 7 8.377 -21.288 -0.137 1.00 0.00 C ATOM 6 CG ASN A 7 7.445 -21.937 -1.147 1.00 0.00 C ATOM 7 OD1 ASN A 7 7.975 -22.812 -1.958 1.00 0.00 O flip ATOM 8 ND2 ASN A 7 6.256 -21.633 -1.205 1.00 0.00 N flip ATOM 0 HA ASN A 7 8.744 -19.404 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 7 9.406 -21.392 -0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.302 -21.819 0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.873 -20.945 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.652 -22.068 -1.902 1.00 0.00 H new ATOM 15 N GLY A 8 7.261 -18.908 -2.016 1.00 0.00 N ATOM 16 CA GLY A 8 7.368 -18.192 -3.265 1.00 0.00 C ATOM 17 C GLY A 8 6.761 -16.822 -3.160 1.00 0.00 C ATOM 18 O GLY A 8 5.641 -16.594 -3.610 1.00 0.00 O ATOM 0 H GLY A 8 6.338 -19.298 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.417 -18.107 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.868 -18.755 -4.054 1.00 0.00 H new ATOM 22 N LEU A 9 7.490 -15.916 -2.550 1.00 0.00 N ATOM 23 CA LEU A 9 7.008 -14.569 -2.340 1.00 0.00 C ATOM 24 C LEU A 9 7.385 -13.675 -3.508 1.00 0.00 C ATOM 25 O LEU A 9 8.570 -13.481 -3.790 1.00 0.00 O ATOM 26 CB LEU A 9 7.563 -13.980 -1.028 1.00 0.00 C ATOM 27 CG LEU A 9 7.064 -14.626 0.277 1.00 0.00 C ATOM 28 CD1 LEU A 9 7.618 -16.034 0.447 1.00 0.00 C ATOM 29 CD2 LEU A 9 7.433 -13.759 1.472 1.00 0.00 C ATOM 0 H LEU A 9 8.427 -16.089 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 9 5.921 -14.614 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.650 -14.055 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.318 -12.918 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 9 5.978 -14.701 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.246 -16.461 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.298 -16.654 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.707 -15.996 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.073 -14.229 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.516 -13.650 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.974 -12.776 1.364 1.00 0.00 H new ATOM 41 N PRO A 10 6.385 -13.135 -4.217 1.00 0.00 N ATOM 42 CA PRO A 10 6.616 -12.219 -5.334 1.00 0.00 C ATOM 43 C PRO A 10 7.295 -10.935 -4.868 1.00 0.00 C ATOM 44 O PRO A 10 7.261 -10.598 -3.678 1.00 0.00 O ATOM 45 CB PRO A 10 5.204 -11.909 -5.854 1.00 0.00 C ATOM 46 CG PRO A 10 4.343 -12.997 -5.312 1.00 0.00 C ATOM 47 CD PRO A 10 4.952 -13.389 -4.003 1.00 0.00 C ATOM 0 HA PRO A 10 7.271 -12.651 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.864 -10.931 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.180 -11.893 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.317 -12.653 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.308 -13.845 -5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.555 -12.796 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.758 -14.435 -3.765 1.00 0.00 H new ATOM 55 N SER A 11 7.895 -10.215 -5.803 1.00 0.00 N ATOM 56 CA SER A 11 8.599 -8.981 -5.492 1.00 0.00 C ATOM 57 C SER A 11 7.697 -7.968 -4.772 1.00 0.00 C ATOM 58 O SER A 11 8.148 -7.264 -3.874 1.00 0.00 O ATOM 59 CB SER A 11 9.196 -8.378 -6.770 1.00 0.00 C ATOM 60 OG SER A 11 8.286 -8.464 -7.862 1.00 0.00 O ATOM 0 H SER A 11 7.908 -10.467 -6.791 1.00 0.00 H new ATOM 0 HA SER A 11 9.410 -9.224 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.457 -7.334 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.119 -8.899 -7.023 1.00 0.00 H new ATOM 0 HG SER A 11 7.367 -8.420 -7.526 1.00 0.00 H new ATOM 66 N GLU A 12 6.421 -7.935 -5.147 1.00 0.00 N ATOM 67 CA GLU A 12 5.453 -7.005 -4.557 1.00 0.00 C ATOM 68 C GLU A 12 5.219 -7.313 -3.078 1.00 0.00 C ATOM 69 O GLU A 12 4.865 -6.433 -2.298 1.00 0.00 O ATOM 70 CB GLU A 12 4.106 -7.068 -5.298 1.00 0.00 C ATOM 71 CG GLU A 12 4.206 -7.045 -6.819 1.00 0.00 C ATOM 72 CD GLU A 12 4.503 -8.409 -7.406 1.00 0.00 C ATOM 73 OE1 GLU A 12 3.548 -9.157 -7.685 1.00 0.00 O ATOM 74 OE2 GLU A 12 5.693 -8.740 -7.587 1.00 0.00 O ATOM 0 H GLU A 12 6.028 -8.546 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 12 5.874 -6.004 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.585 -7.977 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.492 -6.227 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.270 -6.671 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.989 -6.347 -7.117 1.00 0.00 H new ATOM 81 N THR A 13 5.425 -8.560 -2.704 1.00 0.00 N ATOM 82 CA THR A 13 5.204 -9.001 -1.342 1.00 0.00 C ATOM 83 C THR A 13 6.503 -8.904 -0.534 1.00 0.00 C ATOM 84 O THR A 13 6.491 -8.897 0.701 1.00 0.00 O ATOM 85 CB THR A 13 4.729 -10.476 -1.340 1.00 0.00 C ATOM 86 OG1 THR A 13 3.758 -10.676 -2.380 1.00 0.00 O ATOM 87 CG2 THR A 13 4.112 -10.857 -0.001 1.00 0.00 C ATOM 0 H THR A 13 5.749 -9.294 -3.334 1.00 0.00 H new ATOM 0 HA THR A 13 4.445 -8.362 -0.891 1.00 0.00 H new ATOM 0 HB THR A 13 5.600 -11.108 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.134 -11.383 -2.113 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.789 -11.898 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.852 -10.730 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.253 -10.216 0.199 1.00 0.00 H new ATOM 95 N TYR A 14 7.613 -8.820 -1.247 1.00 0.00 N ATOM 96 CA TYR A 14 8.928 -8.850 -0.649 1.00 0.00 C ATOM 97 C TYR A 14 9.470 -7.456 -0.269 1.00 0.00 C ATOM 98 O TYR A 14 10.288 -7.340 0.648 1.00 0.00 O ATOM 99 CB TYR A 14 9.885 -9.547 -1.619 1.00 0.00 C ATOM 100 CG TYR A 14 11.273 -9.743 -1.088 1.00 0.00 C ATOM 101 CD1 TYR A 14 11.565 -10.797 -0.240 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.293 -8.880 -1.441 1.00 0.00 C ATOM 103 CE1 TYR A 14 12.837 -10.985 0.245 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.567 -9.055 -0.964 1.00 0.00 C ATOM 105 CZ TYR A 14 13.837 -10.113 -0.119 1.00 0.00 C ATOM 106 OH TYR A 14 15.116 -10.299 0.364 1.00 0.00 O ATOM 0 H TYR A 14 7.623 -8.729 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 14 8.850 -9.399 0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.470 -10.520 -1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.940 -8.963 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.781 -11.483 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.083 -8.054 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.050 -11.811 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.353 -8.370 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 14 15.704 -9.599 0.012 1.00 0.00 H new ATOM 116 N ILE A 15 9.020 -6.409 -0.944 1.00 0.00 N ATOM 117 CA ILE A 15 9.564 -5.072 -0.676 1.00 0.00 C ATOM 118 C ILE A 15 8.716 -4.272 0.311 1.00 0.00 C ATOM 119 O ILE A 15 7.621 -4.693 0.699 1.00 0.00 O ATOM 120 CB ILE A 15 9.825 -4.255 -1.976 1.00 0.00 C ATOM 121 CG1 ILE A 15 8.664 -4.378 -2.975 1.00 0.00 C ATOM 122 CG2 ILE A 15 11.129 -4.690 -2.622 1.00 0.00 C ATOM 123 CD1 ILE A 15 7.407 -3.637 -2.579 1.00 0.00 C ATOM 0 H ILE A 15 8.299 -6.447 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 15 10.530 -5.247 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 15 9.901 -3.205 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.997 -4.008 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.422 -5.433 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.297 -4.110 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.952 -4.524 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.075 -5.749 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.643 -3.781 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.043 -4.021 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.627 -2.574 -2.482 1.00 0.00 H new ATOM 135 N THR A 16 9.228 -3.120 0.714 1.00 0.00 N ATOM 136 CA THR A 16 8.557 -2.288 1.690 1.00 0.00 C ATOM 137 C THR A 16 7.781 -1.160 1.025 1.00 0.00 C ATOM 138 O THR A 16 7.879 -0.960 -0.189 1.00 0.00 O ATOM 139 CB THR A 16 9.562 -1.693 2.693 1.00 0.00 C ATOM 140 OG1 THR A 16 10.536 -0.918 1.984 1.00 0.00 O ATOM 141 CG2 THR A 16 10.264 -2.797 3.474 1.00 0.00 C ATOM 0 H THR A 16 10.112 -2.741 0.375 1.00 0.00 H new ATOM 0 HA THR A 16 7.854 -2.929 2.223 1.00 0.00 H new ATOM 0 HB THR A 16 9.021 -1.060 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.271 -1.499 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.969 -2.353 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.525 -3.381 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.801 -3.447 2.783 1.00 0.00 H new ATOM 149 N CYS A 17 7.024 -0.414 1.823 1.00 0.00 N ATOM 150 CA CYS A 17 6.232 0.683 1.295 1.00 0.00 C ATOM 151 C CYS A 17 7.144 1.827 0.859 1.00 0.00 C ATOM 152 O CYS A 17 6.842 2.549 -0.087 1.00 0.00 O ATOM 153 CB CYS A 17 5.214 1.175 2.337 1.00 0.00 C ATOM 154 SG CYS A 17 5.896 2.297 3.608 1.00 0.00 S ATOM 0 H CYS A 17 6.944 -0.550 2.831 1.00 0.00 H new ATOM 0 HA CYS A 17 5.680 0.322 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.404 1.687 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.777 0.309 2.834 1.00 0.00 H new ATOM 159 N ALA A 18 8.279 1.961 1.538 1.00 0.00 N ATOM 160 CA ALA A 18 9.238 3.003 1.226 1.00 0.00 C ATOM 161 C ALA A 18 9.882 2.749 -0.127 1.00 0.00 C ATOM 162 O ALA A 18 9.995 3.656 -0.954 1.00 0.00 O ATOM 163 CB ALA A 18 10.296 3.096 2.313 1.00 0.00 C ATOM 0 H ALA A 18 8.554 1.355 2.311 1.00 0.00 H new ATOM 0 HA ALA A 18 8.709 3.955 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.007 3.883 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.820 3.328 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.821 2.144 2.392 1.00 0.00 H new ATOM 169 N GLU A 19 10.297 1.505 -0.353 1.00 0.00 N ATOM 170 CA GLU A 19 10.905 1.111 -1.620 1.00 0.00 C ATOM 171 C GLU A 19 9.911 1.245 -2.760 1.00 0.00 C ATOM 172 O GLU A 19 10.292 1.502 -3.905 1.00 0.00 O ATOM 173 CB GLU A 19 11.412 -0.324 -1.534 1.00 0.00 C ATOM 174 CG GLU A 19 12.515 -0.519 -0.518 1.00 0.00 C ATOM 175 CD GLU A 19 12.811 -1.972 -0.261 1.00 0.00 C ATOM 176 OE1 GLU A 19 12.152 -2.567 0.618 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.702 -2.528 -0.925 1.00 0.00 O ATOM 0 H GLU A 19 10.223 0.750 0.329 1.00 0.00 H new ATOM 0 HA GLU A 19 11.746 1.775 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.579 -0.980 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.775 -0.631 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.420 -0.024 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.232 -0.038 0.418 1.00 0.00 H new ATOM 184 N ALA A 20 8.631 1.079 -2.443 1.00 0.00 N ATOM 185 CA ALA A 20 7.577 1.217 -3.432 1.00 0.00 C ATOM 186 C ALA A 20 7.535 2.649 -3.969 1.00 0.00 C ATOM 187 O ALA A 20 7.225 2.881 -5.131 1.00 0.00 O ATOM 188 CB ALA A 20 6.233 0.829 -2.832 1.00 0.00 C ATOM 0 H ALA A 20 8.302 0.848 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 20 7.789 0.544 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.453 0.938 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.270 -0.207 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.012 1.478 -1.985 1.00 0.00 H new ATOM 194 N ASN A 21 7.899 3.593 -3.116 1.00 0.00 N ATOM 195 CA ASN A 21 7.927 5.004 -3.498 1.00 0.00 C ATOM 196 C ASN A 21 9.126 5.255 -4.381 1.00 0.00 C ATOM 197 O ASN A 21 9.064 6.014 -5.346 1.00 0.00 O ATOM 198 CB ASN A 21 8.004 5.906 -2.269 1.00 0.00 C ATOM 199 CG ASN A 21 6.753 5.883 -1.421 1.00 0.00 C ATOM 200 OD1 ASN A 21 6.829 5.982 -0.208 1.00 0.00 O ATOM 201 ND2 ASN A 21 5.597 5.788 -2.050 1.00 0.00 N ATOM 0 H ASN A 21 8.180 3.412 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 21 7.007 5.236 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.853 5.601 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.195 6.929 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.726 5.796 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.575 5.707 -3.067 1.00 0.00 H new ATOM 208 N GLU A 22 10.229 4.620 -4.025 1.00 0.00 N ATOM 209 CA GLU A 22 11.448 4.716 -4.796 1.00 0.00 C ATOM 210 C GLU A 22 11.217 4.198 -6.209 1.00 0.00 C ATOM 211 O GLU A 22 11.606 4.837 -7.178 1.00 0.00 O ATOM 212 CB GLU A 22 12.578 3.947 -4.112 1.00 0.00 C ATOM 213 CG GLU A 22 12.808 4.367 -2.667 1.00 0.00 C ATOM 214 CD GLU A 22 13.063 5.855 -2.521 1.00 0.00 C ATOM 215 OE1 GLU A 22 12.083 6.632 -2.456 1.00 0.00 O ATOM 216 OE2 GLU A 22 14.232 6.252 -2.465 1.00 0.00 O ATOM 0 H GLU A 22 10.301 4.028 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 22 11.742 5.764 -4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.351 2.881 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.499 4.092 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.938 4.092 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.658 3.816 -2.264 1.00 0.00 H new ATOM 223 N MET A 23 10.576 3.036 -6.320 1.00 0.00 N ATOM 224 CA MET A 23 10.237 2.479 -7.623 1.00 0.00 C ATOM 225 C MET A 23 9.308 3.423 -8.392 1.00 0.00 C ATOM 226 O MET A 23 9.502 3.645 -9.569 1.00 0.00 O ATOM 227 CB MET A 23 9.597 1.092 -7.471 1.00 0.00 C ATOM 228 CG MET A 23 9.317 0.394 -8.797 1.00 0.00 C ATOM 229 SD MET A 23 8.813 -1.330 -8.593 1.00 0.00 S ATOM 230 CE MET A 23 7.279 -1.146 -7.684 1.00 0.00 C ATOM 0 H MET A 23 10.283 2.466 -5.526 1.00 0.00 H new ATOM 0 HA MET A 23 11.158 2.368 -8.195 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.255 0.463 -6.872 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.662 1.192 -6.919 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.534 0.935 -9.328 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.211 0.435 -9.419 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.862 -2.130 -7.471 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.472 -0.623 -6.747 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.569 -0.573 -8.280 1.00 0.00 H new ATOM 240 N ALA A 24 8.290 3.952 -7.700 1.00 0.00 N ATOM 241 CA ALA A 24 7.348 4.945 -8.269 1.00 0.00 C ATOM 242 C ALA A 24 8.069 6.108 -8.978 1.00 0.00 C ATOM 243 O ALA A 24 7.505 6.755 -9.862 1.00 0.00 O ATOM 244 CB ALA A 24 6.426 5.484 -7.186 1.00 0.00 C ATOM 0 H ALA A 24 8.090 3.708 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 24 6.758 4.424 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.741 6.212 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.856 4.663 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.020 5.964 -6.408 1.00 0.00 H new ATOM 250 N LYS A 25 9.301 6.366 -8.582 1.00 0.00 N ATOM 251 CA LYS A 25 10.108 7.418 -9.199 1.00 0.00 C ATOM 252 C LYS A 25 10.431 7.050 -10.629 1.00 0.00 C ATOM 253 O LYS A 25 10.555 7.909 -11.500 1.00 0.00 O ATOM 254 CB LYS A 25 11.395 7.646 -8.410 1.00 0.00 C ATOM 255 CG LYS A 25 11.179 8.267 -7.045 1.00 0.00 C ATOM 256 CD LYS A 25 12.487 8.402 -6.286 1.00 0.00 C ATOM 257 CE LYS A 25 12.311 9.231 -5.028 1.00 0.00 C ATOM 258 NZ LYS A 25 11.331 8.631 -4.086 1.00 0.00 N ATOM 0 H LYS A 25 9.773 5.862 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 25 9.533 8.344 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.907 6.692 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.056 8.290 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.719 9.249 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.484 7.654 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.861 7.413 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.236 8.866 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.274 9.336 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.982 10.234 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.271 9.216 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.396 8.585 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.639 7.671 -3.830 1.00 0.00 H new ATOM 272 N THR A 26 10.551 5.770 -10.857 1.00 0.00 N ATOM 273 CA THR A 26 10.802 5.239 -12.162 1.00 0.00 C ATOM 274 C THR A 26 9.483 4.784 -12.785 1.00 0.00 C ATOM 275 O THR A 26 9.268 4.912 -13.998 1.00 0.00 O ATOM 276 CB THR A 26 11.776 4.046 -12.077 1.00 0.00 C ATOM 277 OG1 THR A 26 12.929 4.425 -11.314 1.00 0.00 O ATOM 278 CG2 THR A 26 12.215 3.599 -13.462 1.00 0.00 C ATOM 0 H THR A 26 10.475 5.060 -10.129 1.00 0.00 H new ATOM 0 HA THR A 26 11.253 6.014 -12.781 1.00 0.00 H new ATOM 0 HB THR A 26 11.261 3.216 -11.593 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.548 3.667 -11.258 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.901 2.757 -13.372 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.342 3.296 -14.040 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.717 4.423 -13.968 1.00 0.00 H new ATOM 286 N ASP A 27 8.597 4.265 -11.940 1.00 0.00 N ATOM 287 CA ASP A 27 7.306 3.786 -12.386 1.00 0.00 C ATOM 288 C ASP A 27 6.240 4.001 -11.321 1.00 0.00 C ATOM 289 O ASP A 27 6.074 3.184 -10.414 1.00 0.00 O ATOM 290 CB ASP A 27 7.390 2.321 -12.708 1.00 0.00 C ATOM 291 CG ASP A 27 6.428 1.932 -13.816 1.00 0.00 C ATOM 292 OD1 ASP A 27 5.198 2.104 -13.635 1.00 0.00 O ATOM 293 OD2 ASP A 27 6.891 1.460 -14.874 1.00 0.00 O ATOM 0 H ASP A 27 8.757 4.168 -10.937 1.00 0.00 H new ATOM 0 HA ASP A 27 7.028 4.350 -13.276 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.408 2.072 -13.007 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.169 1.739 -11.813 1.00 0.00 H new ATOM 298 N SER A 28 5.541 5.097 -11.433 1.00 0.00 N ATOM 299 CA SER A 28 4.484 5.436 -10.503 1.00 0.00 C ATOM 300 C SER A 28 3.239 4.594 -10.783 1.00 0.00 C ATOM 301 O SER A 28 2.473 4.274 -9.870 1.00 0.00 O ATOM 302 CB SER A 28 4.155 6.931 -10.605 1.00 0.00 C ATOM 303 OG SER A 28 3.285 7.345 -9.561 1.00 0.00 O ATOM 0 H SER A 28 5.684 5.786 -12.171 1.00 0.00 H new ATOM 0 HA SER A 28 4.824 5.221 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.077 7.511 -10.563 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.692 7.138 -11.570 1.00 0.00 H new ATOM 0 HG SER A 28 3.096 8.302 -9.653 1.00 0.00 H new ATOM 309 N ALA A 29 3.061 4.211 -12.048 1.00 0.00 N ATOM 310 CA ALA A 29 1.909 3.428 -12.460 1.00 0.00 C ATOM 311 C ALA A 29 1.884 2.078 -11.763 1.00 0.00 C ATOM 312 O ALA A 29 0.894 1.729 -11.127 1.00 0.00 O ATOM 313 CB ALA A 29 1.893 3.251 -13.968 1.00 0.00 C ATOM 0 H ALA A 29 3.707 4.435 -12.805 1.00 0.00 H new ATOM 0 HA ALA A 29 1.012 3.973 -12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.022 2.662 -14.256 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.845 4.228 -14.449 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.800 2.736 -14.284 1.00 0.00 H new ATOM 319 N GLN A 30 2.986 1.326 -11.868 1.00 0.00 N ATOM 320 CA GLN A 30 3.079 -0.002 -11.242 1.00 0.00 C ATOM 321 C GLN A 30 2.718 0.050 -9.765 1.00 0.00 C ATOM 322 O GLN A 30 1.993 -0.802 -9.265 1.00 0.00 O ATOM 323 CB GLN A 30 4.488 -0.589 -11.388 1.00 0.00 C ATOM 324 CG GLN A 30 4.875 -0.953 -12.806 1.00 0.00 C ATOM 325 CD GLN A 30 6.249 -1.594 -12.886 1.00 0.00 C ATOM 326 OE1 GLN A 30 6.692 -2.269 -11.955 1.00 0.00 O ATOM 327 NE2 GLN A 30 6.937 -1.382 -13.983 1.00 0.00 N ATOM 0 H GLN A 30 3.823 1.611 -12.377 1.00 0.00 H new ATOM 0 HA GLN A 30 2.365 -0.641 -11.761 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.209 0.131 -11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.563 -1.480 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.133 -1.638 -13.217 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.859 -0.056 -13.425 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.539 -0.818 -14.734 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.870 -1.781 -14.085 1.00 0.00 H new ATOM 336 N VAL A 31 3.185 1.078 -9.089 1.00 0.00 N ATOM 337 CA VAL A 31 2.984 1.203 -7.660 1.00 0.00 C ATOM 338 C VAL A 31 1.545 1.579 -7.329 1.00 0.00 C ATOM 339 O VAL A 31 0.929 0.981 -6.458 1.00 0.00 O ATOM 340 CB VAL A 31 3.946 2.242 -7.054 1.00 0.00 C ATOM 341 CG1 VAL A 31 3.779 2.324 -5.544 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.378 1.900 -7.417 1.00 0.00 C ATOM 0 H VAL A 31 3.710 1.845 -9.509 1.00 0.00 H new ATOM 0 HA VAL A 31 3.195 0.228 -7.221 1.00 0.00 H new ATOM 0 HB VAL A 31 3.703 3.220 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.470 3.065 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.756 2.615 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.992 1.351 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.050 2.641 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.626 0.913 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.488 1.900 -8.501 1.00 0.00 H new ATOM 352 N ALA A 32 0.999 2.530 -8.069 1.00 0.00 N ATOM 353 CA ALA A 32 -0.348 3.018 -7.812 1.00 0.00 C ATOM 354 C ALA A 32 -1.377 1.935 -8.093 1.00 0.00 C ATOM 355 O ALA A 32 -2.418 1.859 -7.430 1.00 0.00 O ATOM 356 CB ALA A 32 -0.633 4.256 -8.653 1.00 0.00 C ATOM 0 H ALA A 32 1.468 2.981 -8.854 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.419 3.289 -6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.644 4.609 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.082 5.039 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.541 4.007 -9.710 1.00 0.00 H new ATOM 362 N GLU A 33 -1.078 1.091 -9.069 1.00 0.00 N ATOM 363 CA GLU A 33 -1.969 0.016 -9.444 1.00 0.00 C ATOM 364 C GLU A 33 -1.880 -1.144 -8.455 1.00 0.00 C ATOM 365 O GLU A 33 -2.884 -1.542 -7.888 1.00 0.00 O ATOM 366 CB GLU A 33 -1.682 -0.448 -10.873 1.00 0.00 C ATOM 367 CG GLU A 33 -1.838 0.665 -11.901 1.00 0.00 C ATOM 368 CD GLU A 33 -1.619 0.209 -13.326 1.00 0.00 C ATOM 369 OE1 GLU A 33 -0.942 -0.816 -13.538 1.00 0.00 O ATOM 370 OE2 GLU A 33 -2.125 0.884 -14.249 1.00 0.00 O ATOM 0 H GLU A 33 -0.218 1.135 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.991 0.395 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.667 -0.843 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.356 -1.266 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.838 1.091 -11.814 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.131 1.462 -11.671 1.00 0.00 H new ATOM 377 N ILE A 34 -0.671 -1.677 -8.251 1.00 0.00 N ATOM 378 CA ILE A 34 -0.458 -2.785 -7.292 1.00 0.00 C ATOM 379 C ILE A 34 -1.038 -2.446 -5.908 1.00 0.00 C ATOM 380 O ILE A 34 -1.721 -3.272 -5.285 1.00 0.00 O ATOM 381 CB ILE A 34 1.048 -3.145 -7.161 1.00 0.00 C ATOM 382 CG1 ILE A 34 1.579 -3.702 -8.489 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.271 -4.149 -6.031 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.076 -3.941 -8.500 1.00 0.00 C ATOM 0 H ILE A 34 0.175 -1.367 -8.730 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.986 -3.653 -7.688 1.00 0.00 H new ATOM 0 HB ILE A 34 1.598 -2.236 -6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.070 -4.640 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.326 -3.008 -9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.333 -4.386 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.930 -3.719 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.709 -5.060 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.375 -4.334 -9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.596 -3.001 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.335 -4.659 -7.722 1.00 0.00 H new ATOM 396 N VAL A 35 -0.764 -1.229 -5.448 1.00 0.00 N ATOM 397 CA VAL A 35 -1.287 -0.757 -4.167 1.00 0.00 C ATOM 398 C VAL A 35 -2.822 -0.747 -4.178 1.00 0.00 C ATOM 399 O VAL A 35 -3.463 -1.118 -3.196 1.00 0.00 O ATOM 400 CB VAL A 35 -0.736 0.653 -3.803 1.00 0.00 C ATOM 401 CG1 VAL A 35 -1.490 1.258 -2.629 1.00 0.00 C ATOM 402 CG2 VAL A 35 0.748 0.566 -3.474 1.00 0.00 C ATOM 0 H VAL A 35 -0.183 -0.551 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.947 -1.453 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.879 1.301 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.080 2.242 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.545 1.355 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.386 0.611 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.123 1.558 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.894 -0.104 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.290 0.183 -4.338 1.00 0.00 H new ATOM 412 N ALA A 36 -3.402 -0.358 -5.307 1.00 0.00 N ATOM 413 CA ALA A 36 -4.853 -0.325 -5.451 1.00 0.00 C ATOM 414 C ALA A 36 -5.429 -1.737 -5.547 1.00 0.00 C ATOM 415 O ALA A 36 -6.482 -2.021 -4.978 1.00 0.00 O ATOM 416 CB ALA A 36 -5.252 0.496 -6.667 1.00 0.00 C ATOM 0 H ALA A 36 -2.889 -0.061 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.267 0.149 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.338 0.508 -6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.886 1.516 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.819 0.053 -7.564 1.00 0.00 H new ATOM 422 N VAL A 37 -4.732 -2.615 -6.274 1.00 0.00 N ATOM 423 CA VAL A 37 -5.155 -4.005 -6.446 1.00 0.00 C ATOM 424 C VAL A 37 -5.403 -4.689 -5.105 1.00 0.00 C ATOM 425 O VAL A 37 -6.526 -5.089 -4.804 1.00 0.00 O ATOM 426 CB VAL A 37 -4.126 -4.832 -7.270 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.529 -6.303 -7.328 1.00 0.00 C ATOM 428 CG2 VAL A 37 -3.996 -4.273 -8.678 1.00 0.00 C ATOM 0 H VAL A 37 -3.864 -2.383 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.092 -3.970 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.160 -4.758 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.794 -6.859 -7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.574 -6.708 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.508 -6.394 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.272 -4.864 -9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.964 -4.316 -9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.658 -3.238 -8.629 1.00 0.00 H new ATOM 438 N MET A 38 -4.365 -4.850 -4.305 1.00 0.00 N ATOM 439 CA MET A 38 -4.521 -5.473 -2.998 1.00 0.00 C ATOM 440 C MET A 38 -5.236 -4.551 -2.026 1.00 0.00 C ATOM 441 O MET A 38 -5.953 -5.009 -1.152 1.00 0.00 O ATOM 442 CB MET A 38 -3.159 -5.879 -2.430 1.00 0.00 C ATOM 443 CG MET A 38 -2.378 -6.839 -3.320 1.00 0.00 C ATOM 444 SD MET A 38 -0.772 -7.292 -2.628 1.00 0.00 S ATOM 445 CE MET A 38 -0.031 -5.676 -2.393 1.00 0.00 C ATOM 0 H MET A 38 -3.413 -4.562 -4.531 1.00 0.00 H new ATOM 0 HA MET A 38 -5.132 -6.366 -3.130 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.562 -4.982 -2.269 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.307 -6.343 -1.455 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.968 -7.742 -3.477 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.230 -6.381 -4.298 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.035 -5.728 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.507 -4.957 -3.060 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.170 -5.359 -1.359 1.00 0.00 H new ATOM 455 N GLY A 39 -5.039 -3.248 -2.189 1.00 0.00 N ATOM 456 CA GLY A 39 -5.678 -2.283 -1.314 1.00 0.00 C ATOM 457 C GLY A 39 -7.184 -2.389 -1.344 1.00 0.00 C ATOM 458 O GLY A 39 -7.818 -2.589 -0.308 1.00 0.00 O ATOM 0 H GLY A 39 -4.447 -2.842 -2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.326 -2.433 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.381 -1.277 -1.609 1.00 0.00 H new ATOM 462 N ASN A 40 -7.755 -2.253 -2.538 1.00 0.00 N ATOM 463 CA ASN A 40 -9.203 -2.364 -2.721 1.00 0.00 C ATOM 464 C ASN A 40 -9.715 -3.712 -2.215 1.00 0.00 C ATOM 465 O ASN A 40 -10.801 -3.801 -1.657 1.00 0.00 O ATOM 466 CB ASN A 40 -9.600 -2.139 -4.195 1.00 0.00 C ATOM 467 CG ASN A 40 -9.765 -3.420 -5.006 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.831 -4.043 -5.009 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.733 -3.802 -5.709 1.00 0.00 N ATOM 0 H ASN A 40 -7.237 -2.065 -3.396 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.674 -1.580 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.536 -1.581 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.843 -1.517 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.791 -4.641 -6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.869 -3.261 -5.681 1.00 0.00 H new ATOM 476 N ALA A 41 -8.912 -4.753 -2.398 1.00 0.00 N ATOM 477 CA ALA A 41 -9.267 -6.084 -1.934 1.00 0.00 C ATOM 478 C ALA A 41 -9.277 -6.131 -0.413 1.00 0.00 C ATOM 479 O ALA A 41 -10.215 -6.630 0.201 1.00 0.00 O ATOM 480 CB ALA A 41 -8.282 -7.098 -2.483 1.00 0.00 C ATOM 0 H ALA A 41 -8.008 -4.698 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.267 -6.328 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.552 -8.094 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.308 -7.077 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.277 -6.852 -2.139 1.00 0.00 H new ATOM 486 N SER A 42 -8.223 -5.600 0.175 1.00 0.00 N ATOM 487 CA SER A 42 -8.076 -5.550 1.613 1.00 0.00 C ATOM 488 C SER A 42 -9.234 -4.774 2.248 1.00 0.00 C ATOM 489 O SER A 42 -9.963 -5.307 3.084 1.00 0.00 O ATOM 490 CB SER A 42 -6.725 -4.923 1.994 1.00 0.00 C ATOM 491 OG SER A 42 -6.502 -4.974 3.394 1.00 0.00 O ATOM 0 H SER A 42 -7.441 -5.189 -0.336 1.00 0.00 H new ATOM 0 HA SER A 42 -8.101 -6.570 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.921 -5.448 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.697 -3.886 1.658 1.00 0.00 H new ATOM 0 HG SER A 42 -7.347 -5.163 3.853 1.00 0.00 H new ATOM 497 N VAL A 43 -9.425 -3.531 1.830 1.00 0.00 N ATOM 498 CA VAL A 43 -10.481 -2.706 2.397 1.00 0.00 C ATOM 499 C VAL A 43 -11.866 -3.344 2.218 1.00 0.00 C ATOM 500 O VAL A 43 -12.690 -3.328 3.138 1.00 0.00 O ATOM 501 CB VAL A 43 -10.469 -1.257 1.834 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.141 -0.581 2.139 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.748 -1.235 0.341 1.00 0.00 C ATOM 0 H VAL A 43 -8.868 -3.075 1.107 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.274 -2.644 3.465 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.268 -0.703 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.148 0.433 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.991 -0.544 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.331 -1.147 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.732 -0.206 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.985 -1.813 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.728 -1.671 0.148 1.00 0.00 H new ATOM 513 N ALA A 44 -12.111 -3.945 1.055 1.00 0.00 N ATOM 514 CA ALA A 44 -13.387 -4.579 0.777 1.00 0.00 C ATOM 515 C ALA A 44 -13.568 -5.885 1.554 1.00 0.00 C ATOM 516 O ALA A 44 -14.678 -6.381 1.678 1.00 0.00 O ATOM 517 CB ALA A 44 -13.521 -4.841 -0.718 1.00 0.00 C ATOM 0 H ALA A 44 -11.437 -4.003 0.292 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.169 -3.895 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.481 -5.317 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.463 -3.897 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.715 -5.497 -1.046 1.00 0.00 H new ATOM 523 N SER A 45 -12.491 -6.432 2.083 1.00 0.00 N ATOM 524 CA SER A 45 -12.590 -7.704 2.786 1.00 0.00 C ATOM 525 C SER A 45 -12.948 -7.513 4.256 1.00 0.00 C ATOM 526 O SER A 45 -13.436 -8.436 4.911 1.00 0.00 O ATOM 527 CB SER A 45 -11.314 -8.554 2.619 1.00 0.00 C ATOM 528 OG SER A 45 -10.157 -7.893 3.103 1.00 0.00 O ATOM 0 H SER A 45 -11.555 -6.029 2.044 1.00 0.00 H new ATOM 0 HA SER A 45 -13.408 -8.258 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.438 -9.498 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.177 -8.795 1.565 1.00 0.00 H new ATOM 0 HG SER A 45 -10.391 -6.980 3.373 1.00 0.00 H new ATOM 534 N ARG A 46 -12.731 -6.311 4.777 1.00 0.00 N ATOM 535 CA ARG A 46 -13.025 -6.055 6.179 1.00 0.00 C ATOM 536 C ARG A 46 -14.347 -5.308 6.325 1.00 0.00 C ATOM 537 O ARG A 46 -15.001 -5.370 7.369 1.00 0.00 O ATOM 538 CB ARG A 46 -11.896 -5.225 6.807 1.00 0.00 C ATOM 539 CG ARG A 46 -11.987 -5.091 8.322 1.00 0.00 C ATOM 540 CD ARG A 46 -11.370 -6.287 9.039 1.00 0.00 C ATOM 541 NE ARG A 46 -11.879 -7.570 8.548 1.00 0.00 N ATOM 542 CZ ARG A 46 -11.101 -8.625 8.273 1.00 0.00 C ATOM 543 NH1 ARG A 46 -9.798 -8.581 8.527 1.00 0.00 N ATOM 544 NH2 ARG A 46 -11.633 -9.727 7.768 1.00 0.00 N ATOM 0 H ARG A 46 -12.360 -5.513 4.261 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.104 -7.013 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.940 -5.681 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.903 -4.229 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.480 -4.179 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.032 -4.992 8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.287 -6.260 8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.571 -6.207 10.107 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.885 -7.665 8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.386 -7.741 8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.210 -9.387 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.636 -9.773 7.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.040 -10.530 7.559 1.00 0.00 H new ATOM 558 N ASP A 47 -14.729 -4.613 5.278 1.00 0.00 N ATOM 559 CA ASP A 47 -15.958 -3.846 5.283 1.00 0.00 C ATOM 560 C ASP A 47 -16.976 -4.408 4.305 1.00 0.00 C ATOM 561 O ASP A 47 -18.122 -4.676 4.673 1.00 0.00 O ATOM 562 CB ASP A 47 -15.650 -2.406 4.937 1.00 0.00 C ATOM 563 CG ASP A 47 -16.864 -1.516 5.035 1.00 0.00 C ATOM 564 OD1 ASP A 47 -17.410 -1.363 6.144 1.00 0.00 O ATOM 565 OD2 ASP A 47 -17.283 -0.986 4.002 1.00 0.00 O ATOM 0 H ASP A 47 -14.203 -4.562 4.405 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.393 -3.906 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.875 -2.033 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.248 -2.357 3.925 1.00 0.00 H new ATOM 570 N LEU A 48 -16.546 -4.560 3.055 1.00 0.00 N ATOM 571 CA LEU A 48 -17.380 -5.097 1.969 1.00 0.00 C ATOM 572 C LEU A 48 -18.429 -4.071 1.504 1.00 0.00 C ATOM 573 O LEU A 48 -19.316 -4.389 0.710 1.00 0.00 O ATOM 574 CB LEU A 48 -18.039 -6.435 2.382 1.00 0.00 C ATOM 575 CG LEU A 48 -18.687 -7.248 1.252 1.00 0.00 C ATOM 576 CD1 LEU A 48 -17.658 -7.622 0.196 1.00 0.00 C ATOM 577 CD2 LEU A 48 -19.351 -8.497 1.813 1.00 0.00 C ATOM 0 H LEU A 48 -15.602 -4.313 2.759 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.727 -5.299 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.282 -7.056 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.800 -6.225 3.133 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.450 -6.629 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.140 -8.197 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.225 -6.716 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.870 -8.221 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.806 -9.063 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.603 -9.114 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.120 -8.209 2.530 1.00 0.00 H new ATOM 589 N LYS A 49 -18.316 -2.837 1.993 1.00 0.00 N ATOM 590 CA LYS A 49 -19.223 -1.766 1.580 1.00 0.00 C ATOM 591 C LYS A 49 -18.420 -0.630 0.943 1.00 0.00 C ATOM 592 O LYS A 49 -18.983 0.339 0.438 1.00 0.00 O ATOM 593 CB LYS A 49 -20.015 -1.221 2.784 1.00 0.00 C ATOM 594 CG LYS A 49 -20.396 -2.270 3.822 1.00 0.00 C ATOM 595 CD LYS A 49 -21.341 -3.317 3.263 1.00 0.00 C ATOM 596 CE LYS A 49 -21.528 -4.448 4.253 1.00 0.00 C ATOM 597 NZ LYS A 49 -22.534 -5.431 3.788 1.00 0.00 N ATOM 0 H LYS A 49 -17.609 -2.554 2.672 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.929 -2.173 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.423 -0.446 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.924 -0.744 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.494 -2.758 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -20.864 -1.780 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -22.305 -2.861 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.946 -3.708 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.575 -4.952 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.837 -4.040 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.632 -6.188 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.450 -4.956 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.227 -5.840 2.882 1.00 0.00 H new ATOM 611 N ILE A 50 -17.100 -0.770 0.971 1.00 0.00 N ATOM 612 CA ILE A 50 -16.190 0.237 0.435 1.00 0.00 C ATOM 613 C ILE A 50 -16.117 0.155 -1.094 1.00 0.00 C ATOM 614 O ILE A 50 -15.959 -0.929 -1.663 1.00 0.00 O ATOM 615 CB ILE A 50 -14.762 0.078 1.045 1.00 0.00 C ATOM 616 CG1 ILE A 50 -14.800 0.307 2.563 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.783 1.045 0.389 1.00 0.00 C ATOM 618 CD1 ILE A 50 -13.478 0.048 3.266 1.00 0.00 C ATOM 0 H ILE A 50 -16.630 -1.584 1.366 1.00 0.00 H new ATOM 0 HA ILE A 50 -16.582 1.216 0.712 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.420 -0.939 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.106 1.335 2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.562 -0.340 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.794 0.917 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.733 0.842 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.121 2.069 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.592 0.233 4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.178 -0.988 3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.715 0.713 2.862 1.00 0.00 H new ATOM 630 N GLU A 51 -16.230 1.304 -1.750 1.00 0.00 N ATOM 631 CA GLU A 51 -16.186 1.367 -3.203 1.00 0.00 C ATOM 632 C GLU A 51 -14.746 1.348 -3.705 1.00 0.00 C ATOM 633 O GLU A 51 -13.797 1.401 -2.919 1.00 0.00 O ATOM 634 CB GLU A 51 -16.883 2.631 -3.731 1.00 0.00 C ATOM 635 CG GLU A 51 -18.362 2.751 -3.393 1.00 0.00 C ATOM 636 CD GLU A 51 -18.613 3.246 -1.986 1.00 0.00 C ATOM 637 OE1 GLU A 51 -17.789 4.034 -1.467 1.00 0.00 O ATOM 638 OE2 GLU A 51 -19.646 2.883 -1.404 1.00 0.00 O ATOM 0 H GLU A 51 -16.353 2.208 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.713 0.489 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.365 3.504 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.772 2.661 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.836 3.431 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.837 1.778 -3.519 1.00 0.00 H new ATOM 645 N GLN A 52 -14.595 1.283 -5.016 1.00 0.00 N ATOM 646 CA GLN A 52 -13.285 1.293 -5.645 1.00 0.00 C ATOM 647 C GLN A 52 -12.728 2.711 -5.683 1.00 0.00 C ATOM 648 O GLN A 52 -12.736 3.367 -6.725 1.00 0.00 O ATOM 649 CB GLN A 52 -13.373 0.722 -7.060 1.00 0.00 C ATOM 650 CG GLN A 52 -13.778 -0.738 -7.099 1.00 0.00 C ATOM 651 CD GLN A 52 -12.705 -1.643 -6.546 1.00 0.00 C ATOM 652 OE1 GLN A 52 -11.516 -1.345 -6.646 1.00 0.00 O ATOM 653 NE2 GLN A 52 -13.111 -2.745 -5.956 1.00 0.00 N ATOM 0 H GLN A 52 -15.373 1.222 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.612 0.669 -5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -14.092 1.306 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.406 0.836 -7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.696 -0.874 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.998 -1.025 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.108 -2.953 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.429 -3.392 -5.559 1.00 0.00 H new ATOM 662 N SER A 53 -12.279 3.184 -4.541 1.00 0.00 N ATOM 663 CA SER A 53 -11.753 4.524 -4.422 1.00 0.00 C ATOM 664 C SER A 53 -10.246 4.554 -4.672 1.00 0.00 C ATOM 665 O SER A 53 -9.467 3.996 -3.894 1.00 0.00 O ATOM 666 CB SER A 53 -12.074 5.087 -3.031 1.00 0.00 C ATOM 667 OG SER A 53 -11.634 6.430 -2.898 1.00 0.00 O ATOM 0 H SER A 53 -12.269 2.651 -3.671 1.00 0.00 H new ATOM 0 HA SER A 53 -12.228 5.146 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.149 5.036 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.598 4.470 -2.269 1.00 0.00 H new ATOM 0 HG SER A 53 -11.855 6.759 -2.002 1.00 0.00 H new ATOM 673 N PRO A 54 -9.810 5.209 -5.770 1.00 0.00 N ATOM 674 CA PRO A 54 -8.384 5.366 -6.083 1.00 0.00 C ATOM 675 C PRO A 54 -7.710 6.285 -5.072 1.00 0.00 C ATOM 676 O PRO A 54 -6.481 6.322 -4.955 1.00 0.00 O ATOM 677 CB PRO A 54 -8.383 6.020 -7.480 1.00 0.00 C ATOM 678 CG PRO A 54 -9.773 5.855 -7.996 1.00 0.00 C ATOM 679 CD PRO A 54 -10.663 5.831 -6.792 1.00 0.00 C ATOM 0 HA PRO A 54 -7.842 4.421 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.109 7.073 -7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.660 5.539 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.041 6.675 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.869 4.933 -8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.977 6.833 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.569 5.252 -6.970 1.00 0.00 H new ATOM 687 N GLU A 55 -8.539 6.996 -4.318 1.00 0.00 N ATOM 688 CA GLU A 55 -8.071 7.930 -3.314 1.00 0.00 C ATOM 689 C GLU A 55 -7.468 7.174 -2.146 1.00 0.00 C ATOM 690 O GLU A 55 -6.544 7.659 -1.486 1.00 0.00 O ATOM 691 CB GLU A 55 -9.218 8.816 -2.837 1.00 0.00 C ATOM 692 CG GLU A 55 -9.903 9.579 -3.956 1.00 0.00 C ATOM 693 CD GLU A 55 -8.950 10.474 -4.716 1.00 0.00 C ATOM 694 OE1 GLU A 55 -8.355 10.013 -5.703 1.00 0.00 O ATOM 695 OE2 GLU A 55 -8.798 11.653 -4.328 1.00 0.00 O ATOM 0 H GLU A 55 -9.555 6.938 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.304 8.567 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.956 8.197 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.836 9.527 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.360 8.871 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.709 10.183 -3.539 1.00 0.00 H new ATOM 702 N LEU A 56 -7.992 5.975 -1.900 1.00 0.00 N ATOM 703 CA LEU A 56 -7.477 5.124 -0.845 1.00 0.00 C ATOM 704 C LEU A 56 -6.066 4.691 -1.177 1.00 0.00 C ATOM 705 O LEU A 56 -5.188 4.736 -0.330 1.00 0.00 O ATOM 706 CB LEU A 56 -8.374 3.899 -0.652 1.00 0.00 C ATOM 707 CG LEU A 56 -9.791 4.184 -0.147 1.00 0.00 C ATOM 708 CD1 LEU A 56 -10.608 2.903 -0.108 1.00 0.00 C ATOM 709 CD2 LEU A 56 -9.752 4.832 1.229 1.00 0.00 C ATOM 0 H LEU A 56 -8.773 5.576 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.467 5.691 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.447 3.372 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.887 3.223 0.051 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.268 4.879 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.613 3.123 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.668 2.479 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.131 2.187 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.769 5.026 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.256 4.163 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.203 5.772 1.173 1.00 0.00 H new ATOM 721 N SER A 57 -5.854 4.302 -2.433 1.00 0.00 N ATOM 722 CA SER A 57 -4.533 3.890 -2.891 1.00 0.00 C ATOM 723 C SER A 57 -3.548 5.038 -2.686 1.00 0.00 C ATOM 724 O SER A 57 -2.515 4.878 -2.037 1.00 0.00 O ATOM 725 CB SER A 57 -4.581 3.478 -4.374 1.00 0.00 C ATOM 726 OG SER A 57 -3.314 3.031 -4.825 1.00 0.00 O ATOM 0 H SER A 57 -6.580 4.264 -3.149 1.00 0.00 H new ATOM 0 HA SER A 57 -4.204 3.027 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.318 2.687 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.907 4.324 -4.979 1.00 0.00 H new ATOM 0 HG SER A 57 -3.366 2.807 -5.778 1.00 0.00 H new ATOM 732 N ALA A 58 -3.895 6.198 -3.252 1.00 0.00 N ATOM 733 CA ALA A 58 -3.115 7.423 -3.089 1.00 0.00 C ATOM 734 C ALA A 58 -2.733 7.664 -1.621 1.00 0.00 C ATOM 735 O ALA A 58 -1.606 8.026 -1.324 1.00 0.00 O ATOM 736 CB ALA A 58 -3.891 8.612 -3.637 1.00 0.00 C ATOM 0 H ALA A 58 -4.724 6.311 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.189 7.307 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.302 9.520 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.096 8.456 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.832 8.712 -3.097 1.00 0.00 H new ATOM 742 N LYS A 59 -3.670 7.429 -0.717 1.00 0.00 N ATOM 743 CA LYS A 59 -3.429 7.629 0.711 1.00 0.00 C ATOM 744 C LYS A 59 -2.461 6.568 1.263 1.00 0.00 C ATOM 745 O LYS A 59 -1.500 6.891 1.969 1.00 0.00 O ATOM 746 CB LYS A 59 -4.760 7.598 1.477 1.00 0.00 C ATOM 747 CG LYS A 59 -4.623 7.769 2.985 1.00 0.00 C ATOM 748 CD LYS A 59 -5.987 7.800 3.673 1.00 0.00 C ATOM 749 CE LYS A 59 -6.764 9.066 3.325 1.00 0.00 C ATOM 750 NZ LYS A 59 -8.113 9.081 3.948 1.00 0.00 N ATOM 0 H LYS A 59 -4.608 7.099 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.965 8.606 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.406 8.387 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.259 6.650 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.028 6.952 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.085 8.692 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.565 6.925 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.852 7.741 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.202 9.939 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.864 9.144 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.607 9.958 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.660 8.262 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.018 9.033 4.983 1.00 0.00 H new ATOM 764 N VAL A 60 -2.725 5.309 0.921 1.00 0.00 N ATOM 765 CA VAL A 60 -1.911 4.173 1.376 1.00 0.00 C ATOM 766 C VAL A 60 -0.453 4.266 0.889 1.00 0.00 C ATOM 767 O VAL A 60 0.463 3.781 1.551 1.00 0.00 O ATOM 768 CB VAL A 60 -2.523 2.819 0.912 1.00 0.00 C ATOM 769 CG1 VAL A 60 -1.661 1.650 1.355 1.00 0.00 C ATOM 770 CG2 VAL A 60 -3.932 2.653 1.451 1.00 0.00 C ATOM 0 H VAL A 60 -3.507 5.043 0.322 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.911 4.216 2.465 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.560 2.830 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.112 0.717 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.665 1.748 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.586 1.644 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.340 1.700 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.910 2.674 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.559 3.466 1.086 1.00 0.00 H new ATOM 780 N VAL A 61 -0.238 4.919 -0.235 1.00 0.00 N ATOM 781 CA VAL A 61 1.101 5.001 -0.799 1.00 0.00 C ATOM 782 C VAL A 61 1.793 6.315 -0.400 1.00 0.00 C ATOM 783 O VAL A 61 3.022 6.389 -0.329 1.00 0.00 O ATOM 784 CB VAL A 61 1.083 4.847 -2.352 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.413 6.034 -3.028 1.00 0.00 C ATOM 786 CG2 VAL A 61 2.488 4.632 -2.895 1.00 0.00 C ATOM 0 H VAL A 61 -0.961 5.396 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 61 1.673 4.170 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 61 0.490 3.963 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.420 5.889 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.617 6.117 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.955 6.947 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.447 4.528 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.113 5.487 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.912 3.727 -2.459 1.00 0.00 H new ATOM 796 N GLU A 62 0.991 7.336 -0.130 1.00 0.00 N ATOM 797 CA GLU A 62 1.508 8.647 0.233 1.00 0.00 C ATOM 798 C GLU A 62 1.866 8.733 1.717 1.00 0.00 C ATOM 799 O GLU A 62 2.970 9.126 2.071 1.00 0.00 O ATOM 800 CB GLU A 62 0.498 9.742 -0.114 1.00 0.00 C ATOM 801 CG GLU A 62 0.993 11.153 0.155 1.00 0.00 C ATOM 802 CD GLU A 62 -0.097 12.185 0.017 1.00 0.00 C ATOM 803 OE1 GLU A 62 -0.360 12.639 -1.112 1.00 0.00 O ATOM 804 OE2 GLU A 62 -0.702 12.554 1.037 1.00 0.00 O ATOM 0 H GLU A 62 -0.027 7.280 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 62 2.420 8.797 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.234 9.656 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.414 9.574 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.410 11.202 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.801 11.389 -0.537 1.00 0.00 H new ATOM 811 N LYS A 63 0.920 8.389 2.579 1.00 0.00 N ATOM 812 CA LYS A 63 1.118 8.536 4.019 1.00 0.00 C ATOM 813 C LYS A 63 1.850 7.365 4.665 1.00 0.00 C ATOM 814 O LYS A 63 2.813 7.563 5.393 1.00 0.00 O ATOM 815 CB LYS A 63 -0.208 8.785 4.728 1.00 0.00 C ATOM 816 CG LYS A 63 -0.842 10.116 4.381 1.00 0.00 C ATOM 817 CD LYS A 63 -1.999 10.430 5.304 1.00 0.00 C ATOM 818 CE LYS A 63 -2.514 11.839 5.077 1.00 0.00 C ATOM 819 NZ LYS A 63 -3.475 12.252 6.130 1.00 0.00 N ATOM 0 H LYS A 63 0.012 8.008 2.312 1.00 0.00 H new ATOM 0 HA LYS A 63 1.765 9.405 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.902 7.984 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.049 8.738 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.094 10.906 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.192 10.097 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.804 9.714 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.681 10.318 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.675 12.534 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.997 11.897 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.804 13.220 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.288 11.604 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.007 12.222 7.058 1.00 0.00 H new ATOM 833 N LEU A 64 1.359 6.154 4.420 1.00 0.00 N ATOM 834 CA LEU A 64 1.907 4.934 5.053 1.00 0.00 C ATOM 835 C LEU A 64 3.438 4.803 4.987 1.00 0.00 C ATOM 836 O LEU A 64 4.030 4.145 5.841 1.00 0.00 O ATOM 837 CB LEU A 64 1.201 3.659 4.560 1.00 0.00 C ATOM 838 CG LEU A 64 -0.119 3.320 5.259 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.129 2.912 6.703 1.00 0.00 C ATOM 840 CD2 LEU A 64 -1.089 4.497 5.203 1.00 0.00 C ATOM 0 H LEU A 64 0.579 5.979 3.786 1.00 0.00 H new ATOM 0 HA LEU A 64 1.684 5.054 6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.010 3.761 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.883 2.817 4.683 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.570 2.481 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.821 2.675 7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.776 2.035 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.610 3.733 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.017 4.228 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.644 5.359 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.300 4.746 4.163 1.00 0.00 H new ATOM 852 N ASN A 65 4.087 5.418 3.988 1.00 0.00 N ATOM 853 CA ASN A 65 5.565 5.419 3.921 1.00 0.00 C ATOM 854 C ASN A 65 6.202 6.075 5.147 1.00 0.00 C ATOM 855 O ASN A 65 7.410 5.982 5.353 1.00 0.00 O ATOM 856 CB ASN A 65 6.072 6.088 2.638 1.00 0.00 C ATOM 857 CG ASN A 65 5.677 7.555 2.493 1.00 0.00 C ATOM 858 OD1 ASN A 65 5.512 8.281 3.472 1.00 0.00 O ATOM 859 ND2 ASN A 65 5.539 7.996 1.260 1.00 0.00 N ATOM 0 H ASN A 65 3.626 5.914 3.225 1.00 0.00 H new ATOM 0 HA ASN A 65 5.870 4.373 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.159 6.012 2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.691 5.535 1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.287 8.970 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.684 7.364 0.473 1.00 0.00 H new ATOM 866 N GLN A 66 5.383 6.710 5.959 1.00 0.00 N ATOM 867 CA GLN A 66 5.861 7.355 7.153 1.00 0.00 C ATOM 868 C GLN A 66 6.062 6.296 8.213 1.00 0.00 C ATOM 869 O GLN A 66 6.978 6.370 9.022 1.00 0.00 O ATOM 870 CB GLN A 66 4.869 8.415 7.636 1.00 0.00 C ATOM 871 CG GLN A 66 5.538 9.662 8.191 1.00 0.00 C ATOM 872 CD GLN A 66 6.068 10.597 7.101 1.00 0.00 C ATOM 873 OE1 GLN A 66 6.396 10.048 5.937 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 6.160 11.807 7.305 1.00 0.00 N flip ATOM 0 H GLN A 66 4.377 6.791 5.808 1.00 0.00 H new ATOM 0 HA GLN A 66 6.803 7.862 6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.220 8.698 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.231 7.981 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.824 10.205 8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.363 9.366 8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.899 12.193 8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.498 12.424 6.567 1.00 0.00 H new ATOM 883 N VAL A 67 5.187 5.298 8.183 1.00 0.00 N ATOM 884 CA VAL A 67 5.273 4.169 9.082 1.00 0.00 C ATOM 885 C VAL A 67 6.562 3.397 8.824 1.00 0.00 C ATOM 886 O VAL A 67 7.326 3.138 9.746 1.00 0.00 O ATOM 887 CB VAL A 67 4.062 3.219 8.920 1.00 0.00 C ATOM 888 CG1 VAL A 67 4.078 2.139 9.989 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.757 4.004 8.969 1.00 0.00 C ATOM 0 H VAL A 67 4.402 5.255 7.534 1.00 0.00 H new ATOM 0 HA VAL A 67 5.269 4.555 10.101 1.00 0.00 H new ATOM 0 HB VAL A 67 4.136 2.734 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.218 1.483 9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.995 1.557 9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.032 2.602 10.975 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.916 3.320 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.677 4.518 9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.742 4.736 8.162 1.00 0.00 H new ATOM 899 N CYS A 68 6.808 3.043 7.555 1.00 0.00 N ATOM 900 CA CYS A 68 8.043 2.340 7.187 1.00 0.00 C ATOM 901 C CYS A 68 9.261 3.197 7.537 1.00 0.00 C ATOM 902 O CYS A 68 10.288 2.686 7.971 1.00 0.00 O ATOM 903 CB CYS A 68 8.062 2.003 5.689 1.00 0.00 C ATOM 904 SG CYS A 68 6.599 1.093 5.078 1.00 0.00 S ATOM 0 H CYS A 68 6.177 3.229 6.776 1.00 0.00 H new ATOM 0 HA CYS A 68 8.080 1.408 7.751 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.154 2.931 5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.953 1.411 5.477 1.00 0.00 H new ATOM 909 N ALA A 69 9.133 4.509 7.336 1.00 0.00 N ATOM 910 CA ALA A 69 10.206 5.449 7.658 1.00 0.00 C ATOM 911 C ALA A 69 10.571 5.394 9.146 1.00 0.00 C ATOM 912 O ALA A 69 11.717 5.640 9.521 1.00 0.00 O ATOM 913 CB ALA A 69 9.803 6.864 7.267 1.00 0.00 C ATOM 0 H ALA A 69 8.295 4.945 6.951 1.00 0.00 H new ATOM 0 HA ALA A 69 11.087 5.158 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.611 7.553 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.605 6.903 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.904 7.150 7.813 1.00 0.00 H new ATOM 919 N LYS A 70 9.603 5.049 9.977 1.00 0.00 N ATOM 920 CA LYS A 70 9.824 4.982 11.414 1.00 0.00 C ATOM 921 C LYS A 70 10.092 3.551 11.867 1.00 0.00 C ATOM 922 O LYS A 70 10.631 3.321 12.952 1.00 0.00 O ATOM 923 CB LYS A 70 8.626 5.554 12.170 1.00 0.00 C ATOM 924 CG LYS A 70 8.353 7.021 11.870 1.00 0.00 C ATOM 925 CD LYS A 70 7.169 7.545 12.669 1.00 0.00 C ATOM 926 CE LYS A 70 7.450 7.518 14.164 1.00 0.00 C ATOM 927 NZ LYS A 70 6.301 8.008 14.952 1.00 0.00 N ATOM 0 H LYS A 70 8.656 4.811 9.683 1.00 0.00 H new ATOM 0 HA LYS A 70 10.705 5.582 11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.739 4.971 11.921 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.794 5.437 13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.239 7.612 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.157 7.145 10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.942 8.565 12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.287 6.942 12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.691 6.500 14.469 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.325 8.131 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.534 7.973 15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.086 8.989 14.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.472 7.408 14.767 1.00 0.00 H new ATOM 941 N ASP A 71 9.710 2.595 11.044 1.00 0.00 N ATOM 942 CA ASP A 71 9.910 1.189 11.354 1.00 0.00 C ATOM 943 C ASP A 71 10.233 0.423 10.077 1.00 0.00 C ATOM 944 O ASP A 71 9.356 0.192 9.247 1.00 0.00 O ATOM 945 CB ASP A 71 8.661 0.608 12.016 1.00 0.00 C ATOM 946 CG ASP A 71 8.921 -0.729 12.667 1.00 0.00 C ATOM 947 OD1 ASP A 71 8.854 -1.759 11.974 1.00 0.00 O ATOM 948 OD2 ASP A 71 9.199 -0.752 13.888 1.00 0.00 O ATOM 0 H ASP A 71 9.255 2.766 10.147 1.00 0.00 H new ATOM 0 HA ASP A 71 10.745 1.094 12.049 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.292 1.308 12.766 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.875 0.498 11.269 1.00 0.00 H new ATOM 953 N PRO A 72 11.505 0.025 9.898 1.00 0.00 N ATOM 954 CA PRO A 72 11.966 -0.653 8.670 1.00 0.00 C ATOM 955 C PRO A 72 11.357 -2.042 8.476 1.00 0.00 C ATOM 956 O PRO A 72 11.404 -2.598 7.375 1.00 0.00 O ATOM 957 CB PRO A 72 13.483 -0.759 8.866 1.00 0.00 C ATOM 958 CG PRO A 72 13.684 -0.695 10.341 1.00 0.00 C ATOM 959 CD PRO A 72 12.599 0.202 10.872 1.00 0.00 C ATOM 0 HA PRO A 72 11.668 -0.099 7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.870 -1.691 8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.005 0.054 8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.621 -1.688 10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.670 -0.299 10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.293 -0.088 11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.926 1.240 10.925 1.00 0.00 H new ATOM 967 N GLN A 73 10.790 -2.599 9.541 1.00 0.00 N ATOM 968 CA GLN A 73 10.178 -3.927 9.486 1.00 0.00 C ATOM 969 C GLN A 73 8.800 -3.880 8.842 1.00 0.00 C ATOM 970 O GLN A 73 8.117 -4.899 8.738 1.00 0.00 O ATOM 971 CB GLN A 73 10.067 -4.525 10.888 1.00 0.00 C ATOM 972 CG GLN A 73 11.350 -4.440 11.695 1.00 0.00 C ATOM 973 CD GLN A 73 12.531 -5.070 10.989 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.383 -6.036 10.236 1.00 0.00 O ATOM 975 NE2 GLN A 73 13.703 -4.515 11.212 1.00 0.00 N ATOM 0 H GLN A 73 10.740 -2.152 10.456 1.00 0.00 H new ATOM 0 HA GLN A 73 10.823 -4.557 8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.273 -4.011 11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.770 -5.570 10.804 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.574 -3.394 11.904 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.202 -4.932 12.656 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.778 -3.717 11.843 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.537 -4.883 10.754 1.00 0.00 H new ATOM 984 N MET A 74 8.387 -2.704 8.426 1.00 0.00 N ATOM 985 CA MET A 74 7.101 -2.541 7.781 1.00 0.00 C ATOM 986 C MET A 74 7.241 -2.652 6.275 1.00 0.00 C ATOM 987 O MET A 74 7.847 -1.798 5.629 1.00 0.00 O ATOM 988 CB MET A 74 6.473 -1.203 8.163 1.00 0.00 C ATOM 989 CG MET A 74 6.117 -1.096 9.634 1.00 0.00 C ATOM 990 SD MET A 74 4.855 -2.286 10.130 1.00 0.00 S ATOM 991 CE MET A 74 4.672 -1.880 11.867 1.00 0.00 C ATOM 0 H MET A 74 8.924 -1.842 8.523 1.00 0.00 H new ATOM 0 HA MET A 74 6.443 -3.339 8.125 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.164 -0.400 7.906 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.572 -1.051 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.014 -1.252 10.233 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.763 -0.087 9.846 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.923 -2.532 12.316 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.626 -2.019 12.376 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.355 -0.842 11.967 1.00 0.00 H new ATOM 1001 N LEU A 75 6.691 -3.714 5.720 1.00 0.00 N ATOM 1002 CA LEU A 75 6.756 -3.940 4.292 1.00 0.00 C ATOM 1003 C LEU A 75 5.549 -3.323 3.591 1.00 0.00 C ATOM 1004 O LEU A 75 4.710 -2.681 4.230 1.00 0.00 O ATOM 1005 CB LEU A 75 6.871 -5.441 3.962 1.00 0.00 C ATOM 1006 CG LEU A 75 8.233 -6.101 4.261 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.450 -6.275 5.757 1.00 0.00 C ATOM 1008 CD2 LEU A 75 8.352 -7.438 3.547 1.00 0.00 C ATOM 0 H LEU A 75 6.192 -4.436 6.240 1.00 0.00 H new ATOM 0 HA LEU A 75 7.657 -3.451 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.102 -5.975 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.649 -5.577 2.904 1.00 0.00 H new ATOM 0 HG LEU A 75 9.011 -5.436 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.419 -6.743 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.424 -5.300 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.663 -6.907 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.320 -7.886 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.557 -8.103 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.264 -7.285 2.471 1.00 0.00 H new ATOM 1020 N LEU A 76 5.466 -3.506 2.278 1.00 0.00 N ATOM 1021 CA LEU A 76 4.362 -2.951 1.502 1.00 0.00 C ATOM 1022 C LEU A 76 3.042 -3.586 1.911 1.00 0.00 C ATOM 1023 O LEU A 76 2.031 -2.899 2.064 1.00 0.00 O ATOM 1024 CB LEU A 76 4.599 -3.146 0.000 1.00 0.00 C ATOM 1025 CG LEU A 76 3.512 -2.576 -0.924 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.427 -1.062 -0.788 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.775 -2.971 -2.367 1.00 0.00 C ATOM 0 H LEU A 76 6.147 -4.032 1.730 1.00 0.00 H new ATOM 0 HA LEU A 76 4.312 -1.882 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.551 -2.685 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.696 -4.213 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 76 2.553 -2.998 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.651 -0.680 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.184 -0.802 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.385 -0.618 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.994 -2.558 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.744 -2.582 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.776 -4.058 -2.452 1.00 0.00 H new ATOM 1039 N ILE A 77 3.062 -4.898 2.107 1.00 0.00 N ATOM 1040 CA ILE A 77 1.865 -5.636 2.486 1.00 0.00 C ATOM 1041 C ILE A 77 1.311 -5.137 3.813 1.00 0.00 C ATOM 1042 O ILE A 77 0.128 -4.844 3.918 1.00 0.00 O ATOM 1043 CB ILE A 77 2.141 -7.155 2.588 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.651 -7.700 1.247 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.888 -7.909 3.033 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.658 -7.565 0.110 1.00 0.00 C ATOM 0 H ILE A 77 3.898 -5.475 2.009 1.00 0.00 H new ATOM 0 HA ILE A 77 1.128 -5.466 1.701 1.00 0.00 H new ATOM 0 HB ILE A 77 2.914 -7.310 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.569 -7.176 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.908 -8.752 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.108 -8.975 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.572 -7.544 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.089 -7.746 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.092 -7.973 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.748 -8.113 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.418 -6.512 -0.041 1.00 0.00 H new ATOM 1058 N THR A 78 2.179 -5.006 4.809 1.00 0.00 N ATOM 1059 CA THR A 78 1.749 -4.575 6.125 1.00 0.00 C ATOM 1060 C THR A 78 1.235 -3.145 6.089 1.00 0.00 C ATOM 1061 O THR A 78 0.248 -2.828 6.726 1.00 0.00 O ATOM 1062 CB THR A 78 2.875 -4.710 7.170 1.00 0.00 C ATOM 1063 OG1 THR A 78 4.065 -4.091 6.685 1.00 0.00 O ATOM 1064 CG2 THR A 78 3.154 -6.173 7.478 1.00 0.00 C ATOM 0 H THR A 78 3.179 -5.192 4.727 1.00 0.00 H new ATOM 0 HA THR A 78 0.934 -5.233 6.425 1.00 0.00 H new ATOM 0 HB THR A 78 2.552 -4.215 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.912 -3.753 5.778 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.952 -6.243 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.252 -6.640 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.459 -6.685 6.565 1.00 0.00 H new ATOM 1072 N ALA A 79 1.925 -2.285 5.344 1.00 0.00 N ATOM 1073 CA ALA A 79 1.495 -0.899 5.170 1.00 0.00 C ATOM 1074 C ALA A 79 0.041 -0.825 4.686 1.00 0.00 C ATOM 1075 O ALA A 79 -0.788 -0.132 5.281 1.00 0.00 O ATOM 1076 CB ALA A 79 2.415 -0.180 4.197 1.00 0.00 C ATOM 0 H ALA A 79 2.785 -2.523 4.850 1.00 0.00 H new ATOM 0 HA ALA A 79 1.551 -0.404 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.083 0.851 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.434 -0.190 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.389 -0.684 3.231 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.263 -1.552 3.622 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.617 -1.570 3.071 1.00 0.00 C ATOM 1084 C ILE A 80 -2.578 -2.256 4.044 1.00 0.00 C ATOM 1085 O ILE A 80 -3.654 -1.730 4.356 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.659 -2.312 1.712 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.626 -1.718 0.745 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.059 -2.241 1.110 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.542 -2.436 -0.586 1.00 0.00 C ATOM 0 H ILE A 80 0.405 -2.137 3.121 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.923 -0.535 2.918 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.409 -3.359 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.871 -0.671 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.355 -1.739 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.072 -2.767 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.772 -2.707 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.335 -1.198 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.210 -1.956 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.265 -3.477 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.510 -2.393 -1.085 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.157 -3.411 4.531 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.942 -4.228 5.456 1.00 0.00 C ATOM 1103 C ASP A 81 -3.299 -3.451 6.732 1.00 0.00 C ATOM 1104 O ASP A 81 -4.408 -3.568 7.256 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.150 -5.506 5.796 1.00 0.00 C ATOM 1106 CG ASP A 81 -2.868 -6.441 6.745 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.897 -7.022 6.353 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -2.397 -6.613 7.893 1.00 0.00 O ATOM 0 H ASP A 81 -1.251 -3.817 4.296 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.882 -4.498 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.930 -6.041 4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.194 -5.222 6.236 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.366 -2.643 7.213 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.586 -1.853 8.422 1.00 0.00 C ATOM 1115 C ASP A 82 -3.561 -0.706 8.174 1.00 0.00 C ATOM 1116 O ASP A 82 -4.397 -0.402 9.033 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.270 -1.311 8.984 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.469 -0.546 10.279 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.875 -1.166 11.287 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.218 0.676 10.302 1.00 0.00 O ATOM 0 H ASP A 82 -1.448 -2.515 6.787 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.026 -2.523 9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.582 -2.139 9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.804 -0.658 8.246 1.00 0.00 H new ATOM 1125 N THR A 83 -3.481 -0.081 6.992 1.00 0.00 N ATOM 1126 CA THR A 83 -4.379 1.017 6.661 1.00 0.00 C ATOM 1127 C THR A 83 -5.831 0.540 6.673 1.00 0.00 C ATOM 1128 O THR A 83 -6.747 1.306 6.985 1.00 0.00 O ATOM 1129 CB THR A 83 -4.056 1.614 5.278 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.652 1.805 5.161 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.754 2.957 5.100 1.00 0.00 C ATOM 0 H THR A 83 -2.810 -0.318 6.261 1.00 0.00 H new ATOM 0 HA THR A 83 -4.238 1.790 7.416 1.00 0.00 H new ATOM 0 HB THR A 83 -4.407 0.924 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.215 0.940 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.515 3.364 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.832 2.821 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.415 3.648 5.872 1.00 0.00 H new ATOM 1139 N MET A 84 -6.026 -0.743 6.348 1.00 0.00 N ATOM 1140 CA MET A 84 -7.352 -1.352 6.349 1.00 0.00 C ATOM 1141 C MET A 84 -8.030 -1.206 7.717 1.00 0.00 C ATOM 1142 O MET A 84 -9.244 -1.170 7.805 1.00 0.00 O ATOM 1143 CB MET A 84 -7.269 -2.830 5.969 1.00 0.00 C ATOM 1144 CG MET A 84 -8.626 -3.507 5.852 1.00 0.00 C ATOM 1145 SD MET A 84 -8.502 -5.298 5.727 1.00 0.00 S ATOM 1146 CE MET A 84 -7.848 -5.690 7.338 1.00 0.00 C ATOM 0 H MET A 84 -5.275 -1.379 6.080 1.00 0.00 H new ATOM 0 HA MET A 84 -7.954 -0.827 5.607 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.743 -2.923 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.674 -3.355 6.716 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.232 -3.249 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.145 -3.121 4.975 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.086 -6.725 7.585 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.766 -5.557 7.334 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.292 -5.028 8.082 1.00 0.00 H new ATOM 1156 N ARG A 85 -7.239 -1.137 8.779 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.795 -0.938 10.114 1.00 0.00 C ATOM 1158 C ARG A 85 -8.046 0.537 10.366 1.00 0.00 C ATOM 1159 O ARG A 85 -9.075 0.913 10.920 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.871 -1.491 11.212 1.00 0.00 C ATOM 1161 CG ARG A 85 -6.909 -3.005 11.384 1.00 0.00 C ATOM 1162 CD ARG A 85 -6.215 -3.719 10.246 1.00 0.00 C ATOM 1163 NE ARG A 85 -6.203 -5.168 10.441 1.00 0.00 N ATOM 1164 CZ ARG A 85 -5.244 -5.970 9.988 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -4.217 -5.462 9.338 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -5.319 -7.283 10.190 1.00 0.00 N ATOM 0 H ARG A 85 -6.222 -1.215 8.746 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.736 -1.487 10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.847 -1.191 10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.140 -1.026 12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.433 -3.275 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.945 -3.338 11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.718 -3.483 9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.191 -3.355 10.159 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.977 -5.589 10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.159 -4.456 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.480 -6.075 8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.114 -7.677 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.582 -7.896 9.841 1.00 0.00 H new ATOM 1180 N ALA A 86 -7.104 1.367 9.936 1.00 0.00 N ATOM 1181 CA ALA A 86 -7.182 2.808 10.139 1.00 0.00 C ATOM 1182 C ALA A 86 -8.414 3.414 9.474 1.00 0.00 C ATOM 1183 O ALA A 86 -9.213 4.086 10.128 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.917 3.483 9.629 1.00 0.00 C ATOM 0 H ALA A 86 -6.267 1.062 9.439 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.273 2.982 11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.990 4.559 9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.054 3.094 10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.800 3.280 8.564 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.578 3.167 8.182 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.705 3.736 7.443 1.00 0.00 C ATOM 1192 C ILE A 87 -10.830 2.726 7.251 1.00 0.00 C ATOM 1193 O ILE A 87 -11.856 3.035 6.648 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.266 4.329 6.064 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.500 3.299 5.207 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -8.419 5.571 6.272 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -9.379 2.301 4.479 1.00 0.00 C ATOM 0 H ILE A 87 -7.954 2.583 7.625 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.086 4.554 8.054 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.172 4.596 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.897 3.834 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.810 2.753 5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.120 5.974 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.998 6.319 6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.530 5.313 6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.754 1.618 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.964 1.734 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.052 2.832 3.806 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.632 1.518 7.765 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.632 0.468 7.634 1.00 0.00 C ATOM 1211 C GLY A 88 -12.931 0.761 8.339 1.00 0.00 C ATOM 1212 O GLY A 88 -13.937 0.097 8.085 1.00 0.00 O ATOM 0 H GLY A 88 -9.792 1.243 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.835 0.305 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.220 -0.462 8.027 1.00 0.00 H new ATOM 1216 N LYS A 89 -12.931 1.729 9.234 1.00 0.00 N ATOM 1217 CA LYS A 89 -14.138 2.081 9.934 1.00 0.00 C ATOM 1218 C LYS A 89 -14.903 3.126 9.147 1.00 0.00 C ATOM 1219 O LYS A 89 -14.310 4.064 8.605 1.00 0.00 O ATOM 1220 CB LYS A 89 -13.827 2.594 11.350 1.00 0.00 C ATOM 1221 CG LYS A 89 -12.946 3.838 11.390 1.00 0.00 C ATOM 1222 CD LYS A 89 -12.762 4.338 12.814 1.00 0.00 C ATOM 1223 CE LYS A 89 -11.877 5.575 12.866 1.00 0.00 C ATOM 1224 NZ LYS A 89 -10.514 5.315 12.331 1.00 0.00 N ATOM 0 H LYS A 89 -12.111 2.280 9.489 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.754 1.187 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -14.766 2.812 11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.337 1.799 11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.973 3.612 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.394 4.623 10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.735 4.568 13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.321 3.549 13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.343 6.377 12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.801 5.922 13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.917 6.154 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.096 4.501 12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.574 5.108 11.313 1.00 0.00 H new ATOM 1238 N LYS A 90 -16.210 2.942 9.077 1.00 0.00 N ATOM 1239 CA LYS A 90 -17.112 3.857 8.374 1.00 0.00 C ATOM 1240 C LYS A 90 -16.885 3.789 6.866 1.00 0.00 C ATOM 1241 O LYS A 90 -17.459 2.882 6.226 1.00 0.00 O ATOM 1242 CB LYS A 90 -16.955 5.301 8.881 1.00 0.00 C ATOM 1243 CG LYS A 90 -17.144 5.459 10.385 1.00 0.00 C ATOM 1244 CD LYS A 90 -16.942 6.901 10.823 1.00 0.00 C ATOM 1245 CE LYS A 90 -18.031 7.817 10.276 1.00 0.00 C ATOM 1246 NZ LYS A 90 -19.374 7.478 10.816 1.00 0.00 N ATOM 1247 OXT LYS A 90 -16.145 4.641 6.323 1.00 0.00 O ATOM 0 H LYS A 90 -16.685 2.149 9.508 1.00 0.00 H new ATOM 0 HA LYS A 90 -18.133 3.540 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -15.963 5.663 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.677 5.935 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -18.145 5.130 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.439 4.816 10.911 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.937 6.953 11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.968 7.251 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.792 8.851 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -18.050 7.746 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -20.040 8.247 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -19.710 6.595 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -19.313 7.355 11.847 1.00 0.00 H new TER 1261 LYS A 90