USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 554 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 16 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0158) USER MOD Set 1.2: A 33 TYR OH : rot -177:sc= 1.29 USER MOD Set 2.1: A 12 SER OG : rot -146:sc= -0.116 USER MOD Set 2.2: A 14 ASN : amide:sc= -2.05! C(o=-2.2!,f=-6!) USER MOD Single : A 10 GLN :FLIP amide:sc= 0.751 F(o=-1,f=0.75) USER MOD Single : A 15 SER OG : rot -6:sc= -4.47! USER MOD Single : A 17 CYS SG : rot 53:sc= -0.989 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -76:sc= 0.45 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00211 USER MOD Single : A 24 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0531) USER MOD Single : A 30 SER OG : rot 91:sc= -7.41! USER MOD Single : A 35 THR OG1 : rot 58:sc= 1.05 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -130:sc= -0.0728 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 46 THR OG1 : rot -27:sc= 0.0126 USER MOD Single : A 48 THR OG1 : rot -123:sc= -1.9! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 90:sc= 0.854 USER MOD Single : A 51 THR OG1 : rot -170:sc= 0 USER MOD Single : A 52 SER OG : rot 37:sc= 0.797 USER MOD Single : A 53 THR OG1 : rot 85:sc= 0.058 USER MOD Single : A 55 SER OG : rot 43:sc= -0.212 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0088 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.405 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 77 SER OG : rot -150:sc= -0.138 USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= -1.57! (180deg=-3.65!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.127 USER MOD Single : A 90 ASN :FLIP amide:sc= -3.89 F(o=-7.1!,f=-3.9) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 49.936 -2.408 -4.786 1.00 0.00 N ATOM 111 CA GLN A 10 49.677 -3.424 -3.724 1.00 0.00 C ATOM 112 C GLN A 10 50.079 -2.826 -2.373 1.00 0.00 C ATOM 113 O GLN A 10 50.207 -3.519 -1.382 1.00 0.00 O ATOM 114 CB GLN A 10 50.524 -4.664 -4.056 1.00 0.00 C ATOM 115 CG GLN A 10 51.766 -4.289 -4.868 1.00 0.00 C ATOM 116 CD GLN A 10 51.468 -4.460 -6.358 1.00 0.00 C ATOM 117 OE1 GLN A 10 52.025 -5.442 -7.013 1.00 0.00 O flip ATOM 118 NE2 GLN A 10 50.721 -3.695 -6.931 1.00 0.00 N flip ATOM 0 HA GLN A 10 48.625 -3.706 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.826 -5.158 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 10 49.922 -5.378 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 10 52.053 -3.259 -4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 10 52.607 -4.919 -4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 10 50.286 -2.928 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 10 50.528 -3.819 -7.925 1.00 0.00 H new ATOM 127 N LEU A 11 50.266 -1.532 -2.338 1.00 0.00 N ATOM 128 CA LEU A 11 50.647 -0.849 -1.071 1.00 0.00 C ATOM 129 C LEU A 11 49.866 -1.443 0.098 1.00 0.00 C ATOM 130 O LEU A 11 48.654 -1.376 0.141 1.00 0.00 O ATOM 131 CB LEU A 11 50.249 0.614 -1.301 1.00 0.00 C ATOM 132 CG LEU A 11 50.939 1.522 -0.281 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.415 1.141 -0.159 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.829 2.977 -0.747 1.00 0.00 C ATOM 0 H LEU A 11 50.169 -0.915 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 11 51.704 -0.958 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 11 50.523 0.917 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.167 0.720 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 11 50.457 1.405 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.900 1.792 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.497 0.105 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 11 52.901 1.255 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.319 3.629 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.311 3.085 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 11 49.778 3.254 -0.831 1.00 0.00 H new ATOM 146 N SER A 12 50.555 -2.030 1.039 1.00 0.00 N ATOM 147 CA SER A 12 49.861 -2.638 2.214 1.00 0.00 C ATOM 148 C SER A 12 48.672 -1.770 2.638 1.00 0.00 C ATOM 149 O SER A 12 48.609 -0.595 2.334 1.00 0.00 O ATOM 150 CB SER A 12 50.920 -2.681 3.317 1.00 0.00 C ATOM 151 OG SER A 12 50.584 -1.750 4.337 1.00 0.00 O ATOM 0 H SER A 12 51.571 -2.116 1.046 1.00 0.00 H new ATOM 0 HA SER A 12 49.462 -3.628 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.984 -3.686 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 12 51.900 -2.445 2.903 1.00 0.00 H new ATOM 0 HG SER A 12 51.404 -1.372 4.718 1.00 0.00 H new ATOM 157 N ALA A 13 47.726 -2.338 3.332 1.00 0.00 N ATOM 158 CA ALA A 13 46.540 -1.544 3.765 1.00 0.00 C ATOM 159 C ALA A 13 46.954 -0.459 4.766 1.00 0.00 C ATOM 160 O ALA A 13 46.159 0.375 5.149 1.00 0.00 O ATOM 161 CB ALA A 13 45.606 -2.556 4.428 1.00 0.00 C ATOM 0 H ALA A 13 47.722 -3.317 3.619 1.00 0.00 H new ATOM 0 HA ALA A 13 46.063 -1.033 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.706 -2.048 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 13 45.333 -3.326 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 13 46.112 -3.017 5.276 1.00 0.00 H new ATOM 167 N ASN A 14 48.187 -0.463 5.196 1.00 0.00 N ATOM 168 CA ASN A 14 48.630 0.572 6.175 1.00 0.00 C ATOM 169 C ASN A 14 50.028 1.092 5.826 1.00 0.00 C ATOM 170 O ASN A 14 50.739 1.589 6.676 1.00 0.00 O ATOM 171 CB ASN A 14 48.653 -0.147 7.524 1.00 0.00 C ATOM 172 CG ASN A 14 49.717 -1.245 7.498 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.872 -0.984 7.220 1.00 0.00 O ATOM 174 ND2 ASN A 14 49.376 -2.474 7.776 1.00 0.00 N ATOM 0 H ASN A 14 48.903 -1.133 4.914 1.00 0.00 H new ATOM 0 HA ASN A 14 47.968 1.438 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.867 0.563 8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 14 47.675 -0.579 7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.078 -3.214 7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 14 48.408 -2.694 8.009 1.00 0.00 H new ATOM 181 N SER A 15 50.432 0.986 4.589 1.00 0.00 N ATOM 182 CA SER A 15 51.784 1.483 4.214 1.00 0.00 C ATOM 183 C SER A 15 51.735 2.985 3.915 1.00 0.00 C ATOM 184 O SER A 15 50.832 3.681 4.333 1.00 0.00 O ATOM 185 CB SER A 15 52.161 0.704 2.959 1.00 0.00 C ATOM 186 OG SER A 15 53.556 0.447 2.976 1.00 0.00 O ATOM 0 H SER A 15 49.888 0.580 3.828 1.00 0.00 H new ATOM 0 HA SER A 15 52.509 1.341 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.606 -0.233 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.894 1.273 2.068 1.00 0.00 H new ATOM 0 HG SER A 15 53.965 0.914 3.734 1.00 0.00 H new ATOM 192 N LYS A 16 52.701 3.488 3.196 1.00 0.00 N ATOM 193 CA LYS A 16 52.710 4.944 2.871 1.00 0.00 C ATOM 194 C LYS A 16 53.523 5.201 1.599 1.00 0.00 C ATOM 195 O LYS A 16 54.431 4.462 1.271 1.00 0.00 O ATOM 196 CB LYS A 16 53.373 5.613 4.077 1.00 0.00 C ATOM 197 CG LYS A 16 52.875 7.055 4.201 1.00 0.00 C ATOM 198 CD LYS A 16 54.036 7.963 4.612 1.00 0.00 C ATOM 199 CE LYS A 16 53.576 9.422 4.580 1.00 0.00 C ATOM 200 NZ LYS A 16 52.880 9.636 5.878 1.00 0.00 N ATOM 0 H LYS A 16 53.484 2.954 2.819 1.00 0.00 H new ATOM 0 HA LYS A 16 51.708 5.332 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.142 5.058 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.457 5.600 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.457 7.389 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.075 7.113 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.381 7.701 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.880 7.821 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 16 54.422 10.100 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 16 52.908 9.607 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 52.024 10.207 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 52.614 8.717 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 53.515 10.134 6.534 1.00 0.00 H new ATOM 214 N CYS A 17 53.207 6.245 0.882 1.00 0.00 N ATOM 215 CA CYS A 17 53.962 6.552 -0.367 1.00 0.00 C ATOM 216 C CYS A 17 53.679 7.989 -0.815 1.00 0.00 C ATOM 217 O CYS A 17 53.234 8.228 -1.921 1.00 0.00 O ATOM 218 CB CYS A 17 53.439 5.557 -1.402 1.00 0.00 C ATOM 219 SG CYS A 17 51.699 5.911 -1.751 1.00 0.00 S ATOM 0 H CYS A 17 52.458 6.899 1.107 1.00 0.00 H new ATOM 0 HA CYS A 17 55.040 6.467 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.026 5.626 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.547 4.538 -1.030 1.00 0.00 H new ATOM 0 HG CYS A 17 51.566 7.166 -2.064 1.00 0.00 H new ATOM 224 N GLU A 18 53.929 8.946 0.036 1.00 0.00 N ATOM 225 CA GLU A 18 53.670 10.365 -0.342 1.00 0.00 C ATOM 226 C GLU A 18 54.903 10.970 -1.021 1.00 0.00 C ATOM 227 O GLU A 18 55.926 11.181 -0.402 1.00 0.00 O ATOM 228 CB GLU A 18 53.378 11.078 0.979 1.00 0.00 C ATOM 229 CG GLU A 18 53.292 12.586 0.740 1.00 0.00 C ATOM 230 CD GLU A 18 52.088 12.894 -0.152 1.00 0.00 C ATOM 231 OE1 GLU A 18 50.973 12.757 0.323 1.00 0.00 O ATOM 232 OE2 GLU A 18 52.301 13.266 -1.294 1.00 0.00 O ATOM 0 H GLU A 18 54.301 8.807 0.976 1.00 0.00 H new ATOM 0 HA GLU A 18 52.845 10.460 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.442 10.713 1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.162 10.859 1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.197 13.111 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 18 54.208 12.943 0.269 1.00 0.00 H new ATOM 239 N LYS A 19 54.809 11.254 -2.293 1.00 0.00 N ATOM 240 CA LYS A 19 55.971 11.849 -3.017 1.00 0.00 C ATOM 241 C LYS A 19 57.113 10.835 -3.119 1.00 0.00 C ATOM 242 O LYS A 19 58.223 11.092 -2.697 1.00 0.00 O ATOM 243 CB LYS A 19 56.396 13.051 -2.171 1.00 0.00 C ATOM 244 CG LYS A 19 56.676 14.245 -3.085 1.00 0.00 C ATOM 245 CD LYS A 19 56.959 15.486 -2.237 1.00 0.00 C ATOM 246 CE LYS A 19 57.846 16.452 -3.025 1.00 0.00 C ATOM 247 NZ LYS A 19 56.897 17.388 -3.689 1.00 0.00 N ATOM 0 H LYS A 19 53.977 11.100 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 19 55.713 12.138 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.612 13.302 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.287 12.805 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 19 57.529 14.030 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 19 55.821 14.425 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.023 15.975 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.451 15.200 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 19 58.532 16.985 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 19 58.455 15.922 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 57.430 18.083 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 56.262 16.852 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 56.336 17.883 -2.967 1.00 0.00 H new ATOM 261 N SER A 20 56.850 9.686 -3.678 1.00 0.00 N ATOM 262 CA SER A 20 57.924 8.659 -3.810 1.00 0.00 C ATOM 263 C SER A 20 57.870 8.017 -5.198 1.00 0.00 C ATOM 264 O SER A 20 56.908 8.168 -5.925 1.00 0.00 O ATOM 265 CB SER A 20 57.625 7.618 -2.729 1.00 0.00 C ATOM 266 OG SER A 20 56.588 8.098 -1.882 1.00 0.00 O ATOM 0 H SER A 20 55.940 9.413 -4.049 1.00 0.00 H new ATOM 0 HA SER A 20 58.919 9.089 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.327 6.676 -3.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 58.523 7.417 -2.144 1.00 0.00 H new ATOM 0 HG SER A 20 56.952 8.770 -1.268 1.00 0.00 H new ATOM 272 N THR A 21 58.895 7.301 -5.571 1.00 0.00 N ATOM 273 CA THR A 21 58.898 6.649 -6.910 1.00 0.00 C ATOM 274 C THR A 21 58.859 5.129 -6.748 1.00 0.00 C ATOM 275 O THR A 21 59.855 4.504 -6.443 1.00 0.00 O ATOM 276 CB THR A 21 60.210 7.092 -7.563 1.00 0.00 C ATOM 277 OG1 THR A 21 60.075 8.425 -8.034 1.00 0.00 O ATOM 278 CG2 THR A 21 60.543 6.166 -8.735 1.00 0.00 C ATOM 0 H THR A 21 59.729 7.140 -5.007 1.00 0.00 H new ATOM 0 HA THR A 21 58.034 6.927 -7.513 1.00 0.00 H new ATOM 0 HB THR A 21 61.014 7.044 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.914 8.711 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 21 61.477 6.485 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.648 5.143 -8.372 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.741 6.209 -9.472 1.00 0.00 H new ATOM 286 N LEU A 22 57.717 4.531 -6.938 1.00 0.00 N ATOM 287 CA LEU A 22 57.625 3.053 -6.782 1.00 0.00 C ATOM 288 C LEU A 22 57.484 2.374 -8.147 1.00 0.00 C ATOM 289 O LEU A 22 56.899 2.912 -9.065 1.00 0.00 O ATOM 290 CB LEU A 22 56.374 2.814 -5.933 1.00 0.00 C ATOM 291 CG LEU A 22 56.491 3.563 -4.600 1.00 0.00 C ATOM 292 CD1 LEU A 22 57.903 3.397 -4.033 1.00 0.00 C ATOM 293 CD2 LEU A 22 56.201 5.050 -4.821 1.00 0.00 C ATOM 0 H LEU A 22 56.847 4.999 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 22 58.519 2.639 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 22 55.489 3.152 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 22 56.248 1.747 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 22 55.770 3.152 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 22 57.980 3.931 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 22 58.108 2.339 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 22 58.628 3.803 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 22 56.284 5.582 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 22 56.920 5.459 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 22 55.192 5.169 -5.216 1.00 0.00 H new ATOM 305 N THR A 23 58.016 1.190 -8.276 1.00 0.00 N ATOM 306 CA THR A 23 57.919 0.455 -9.571 1.00 0.00 C ATOM 307 C THR A 23 57.860 -1.050 -9.297 1.00 0.00 C ATOM 308 O THR A 23 58.824 -1.649 -8.866 1.00 0.00 O ATOM 309 CB THR A 23 59.193 0.819 -10.335 1.00 0.00 C ATOM 310 OG1 THR A 23 59.117 2.174 -10.757 1.00 0.00 O ATOM 311 CG2 THR A 23 59.334 -0.091 -11.556 1.00 0.00 C ATOM 0 H THR A 23 58.517 0.697 -7.537 1.00 0.00 H new ATOM 0 HA THR A 23 57.027 0.717 -10.139 1.00 0.00 H new ATOM 0 HB THR A 23 60.059 0.688 -9.686 1.00 0.00 H new ATOM 0 HG1 THR A 23 59.933 2.411 -11.245 1.00 0.00 H new ATOM 0 HG21 THR A 23 60.242 0.169 -12.100 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.390 -1.130 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.470 0.039 -12.208 1.00 0.00 H new ATOM 319 N ASN A 24 56.729 -1.662 -9.522 1.00 0.00 N ATOM 320 CA ASN A 24 56.608 -3.121 -9.250 1.00 0.00 C ATOM 321 C ASN A 24 56.870 -3.379 -7.765 1.00 0.00 C ATOM 322 O ASN A 24 57.755 -4.129 -7.403 1.00 0.00 O ATOM 323 CB ASN A 24 57.687 -3.783 -10.109 1.00 0.00 C ATOM 324 CG ASN A 24 57.044 -4.379 -11.363 1.00 0.00 C ATOM 325 OD1 ASN A 24 57.301 -3.930 -12.463 1.00 0.00 O ATOM 326 ND2 ASN A 24 56.213 -5.377 -11.242 1.00 0.00 N ATOM 0 H ASN A 24 55.886 -1.215 -9.882 1.00 0.00 H new ATOM 0 HA ASN A 24 55.618 -3.512 -9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.445 -3.051 -10.388 1.00 0.00 H new ATOM 0 HB3 ASN A 24 58.192 -4.563 -9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.778 -5.782 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.998 -5.753 -10.318 1.00 0.00 H new ATOM 333 N CYS A 25 56.119 -2.750 -6.901 1.00 0.00 N ATOM 334 CA CYS A 25 56.350 -2.951 -5.442 1.00 0.00 C ATOM 335 C CYS A 25 55.219 -3.753 -4.799 1.00 0.00 C ATOM 336 O CYS A 25 54.371 -4.317 -5.458 1.00 0.00 O ATOM 337 CB CYS A 25 56.391 -1.544 -4.836 1.00 0.00 C ATOM 338 SG CYS A 25 58.021 -1.245 -4.111 1.00 0.00 S ATOM 0 H CYS A 25 55.361 -2.110 -7.140 1.00 0.00 H new ATOM 0 HA CYS A 25 57.270 -3.510 -5.270 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.181 -0.800 -5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.618 -1.442 -4.074 1.00 0.00 H new ATOM 343 N TYR A 26 55.226 -3.786 -3.499 1.00 0.00 N ATOM 344 CA TYR A 26 54.192 -4.516 -2.719 1.00 0.00 C ATOM 345 C TYR A 26 54.432 -4.187 -1.251 1.00 0.00 C ATOM 346 O TYR A 26 54.262 -5.001 -0.365 1.00 0.00 O ATOM 347 CB TYR A 26 54.436 -5.999 -3.004 1.00 0.00 C ATOM 348 CG TYR A 26 53.308 -6.817 -2.421 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.170 -7.086 -3.191 1.00 0.00 C ATOM 350 CD2 TYR A 26 53.400 -7.306 -1.112 1.00 0.00 C ATOM 351 CE1 TYR A 26 51.123 -7.842 -2.650 1.00 0.00 C ATOM 352 CE2 TYR A 26 52.353 -8.062 -0.572 1.00 0.00 C ATOM 353 CZ TYR A 26 51.215 -8.330 -1.341 1.00 0.00 C ATOM 354 OH TYR A 26 50.181 -9.075 -0.809 1.00 0.00 O ATOM 0 H TYR A 26 55.930 -3.321 -2.926 1.00 0.00 H new ATOM 0 HA TYR A 26 53.166 -4.250 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.503 -6.167 -4.079 1.00 0.00 H new ATOM 0 HB3 TYR A 26 55.387 -6.311 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.100 -6.711 -4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.279 -7.100 -0.519 1.00 0.00 H new ATOM 0 HE1 TYR A 26 50.244 -8.049 -3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 26 52.423 -8.438 0.438 1.00 0.00 H new ATOM 0 HH TYR A 26 50.405 -9.337 0.108 1.00 0.00 H new ATOM 364 N VAL A 27 54.859 -2.978 -1.021 1.00 0.00 N ATOM 365 CA VAL A 27 55.169 -2.504 0.358 1.00 0.00 C ATOM 366 C VAL A 27 54.246 -3.147 1.393 1.00 0.00 C ATOM 367 O VAL A 27 53.072 -3.352 1.160 1.00 0.00 O ATOM 368 CB VAL A 27 54.958 -0.987 0.306 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.520 -0.353 1.577 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.677 -0.396 -0.919 1.00 0.00 C ATOM 0 H VAL A 27 55.010 -2.280 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 27 56.182 -2.772 0.659 1.00 0.00 H new ATOM 0 HB VAL A 27 53.891 -0.778 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.371 0.726 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 27 55.005 -0.762 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.586 -0.570 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.521 0.682 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.744 -0.607 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.276 -0.844 -1.828 1.00 0.00 H new ATOM 380 N ASP A 28 54.780 -3.465 2.542 1.00 0.00 N ATOM 381 CA ASP A 28 53.956 -4.095 3.611 1.00 0.00 C ATOM 382 C ASP A 28 54.399 -3.578 4.982 1.00 0.00 C ATOM 383 O ASP A 28 55.543 -3.719 5.369 1.00 0.00 O ATOM 384 CB ASP A 28 54.236 -5.593 3.492 1.00 0.00 C ATOM 385 CG ASP A 28 53.119 -6.262 2.686 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.984 -5.939 1.518 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.420 -7.085 3.253 1.00 0.00 O ATOM 0 H ASP A 28 55.759 -3.314 2.786 1.00 0.00 H new ATOM 0 HA ASP A 28 52.895 -3.868 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.197 -5.756 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.301 -6.041 4.484 1.00 0.00 H new ATOM 392 N LYS A 29 53.505 -2.982 5.722 1.00 0.00 N ATOM 393 CA LYS A 29 53.882 -2.460 7.067 1.00 0.00 C ATOM 394 C LYS A 29 55.101 -1.542 6.958 1.00 0.00 C ATOM 395 O LYS A 29 55.977 -1.556 7.799 1.00 0.00 O ATOM 396 CB LYS A 29 54.225 -3.702 7.890 1.00 0.00 C ATOM 397 CG LYS A 29 52.938 -4.432 8.277 1.00 0.00 C ATOM 398 CD LYS A 29 52.939 -4.700 9.782 1.00 0.00 C ATOM 399 CE LYS A 29 52.105 -3.630 10.489 1.00 0.00 C ATOM 400 NZ LYS A 29 53.070 -2.540 10.802 1.00 0.00 N ATOM 0 H LYS A 29 52.532 -2.834 5.455 1.00 0.00 H new ATOM 0 HA LYS A 29 53.082 -1.874 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.872 -4.364 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.777 -3.416 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.070 -3.832 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.861 -5.371 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 29 52.530 -5.690 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.960 -4.692 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 29 51.298 -3.272 9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 29 51.644 -4.023 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.598 -1.813 11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.876 -2.931 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.411 -2.113 9.917 1.00 0.00 H new ATOM 414 N SER A 30 55.170 -0.745 5.925 1.00 0.00 N ATOM 415 CA SER A 30 56.342 0.164 5.771 1.00 0.00 C ATOM 416 C SER A 30 55.882 1.587 5.445 1.00 0.00 C ATOM 417 O SER A 30 54.703 1.860 5.338 1.00 0.00 O ATOM 418 CB SER A 30 57.145 -0.419 4.610 1.00 0.00 C ATOM 419 OG SER A 30 57.835 -1.577 5.058 1.00 0.00 O ATOM 0 H SER A 30 54.470 -0.684 5.186 1.00 0.00 H new ATOM 0 HA SER A 30 56.932 0.229 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.481 -0.673 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.854 0.319 4.234 1.00 0.00 H new ATOM 0 HG SER A 30 57.276 -2.368 4.910 1.00 0.00 H new ATOM 425 N GLU A 31 56.807 2.497 5.296 1.00 0.00 N ATOM 426 CA GLU A 31 56.425 3.905 4.985 1.00 0.00 C ATOM 427 C GLU A 31 57.033 4.345 3.648 1.00 0.00 C ATOM 428 O GLU A 31 56.328 4.633 2.703 1.00 0.00 O ATOM 429 CB GLU A 31 57.003 4.733 6.134 1.00 0.00 C ATOM 430 CG GLU A 31 55.905 5.616 6.731 1.00 0.00 C ATOM 431 CD GLU A 31 56.452 6.356 7.954 1.00 0.00 C ATOM 432 OE1 GLU A 31 56.779 5.694 8.925 1.00 0.00 O ATOM 433 OE2 GLU A 31 56.533 7.572 7.898 1.00 0.00 O ATOM 0 H GLU A 31 57.809 2.327 5.376 1.00 0.00 H new ATOM 0 HA GLU A 31 55.346 4.026 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.412 4.075 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.825 5.351 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.554 6.331 5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.048 5.006 7.015 1.00 0.00 H new ATOM 440 N VAL A 32 58.335 4.405 3.568 1.00 0.00 N ATOM 441 CA VAL A 32 58.987 4.832 2.294 1.00 0.00 C ATOM 442 C VAL A 32 58.577 6.268 1.951 1.00 0.00 C ATOM 443 O VAL A 32 57.497 6.711 2.292 1.00 0.00 O ATOM 444 CB VAL A 32 58.477 3.857 1.232 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.303 4.019 -0.046 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.613 2.418 1.744 1.00 0.00 C ATOM 0 H VAL A 32 58.976 4.177 4.328 1.00 0.00 H new ATOM 0 HA VAL A 32 60.075 4.818 2.362 1.00 0.00 H new ATOM 0 HB VAL A 32 57.429 4.069 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.941 3.325 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.207 5.040 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.351 3.808 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.249 1.726 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.661 2.205 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 32 58.026 2.299 2.655 1.00 0.00 H new ATOM 456 N TYR A 33 59.427 7.003 1.282 1.00 0.00 N ATOM 457 CA TYR A 33 59.076 8.409 0.927 1.00 0.00 C ATOM 458 C TYR A 33 59.600 8.765 -0.468 1.00 0.00 C ATOM 459 O TYR A 33 58.889 9.324 -1.281 1.00 0.00 O ATOM 460 CB TYR A 33 59.760 9.272 1.991 1.00 0.00 C ATOM 461 CG TYR A 33 58.857 9.408 3.193 1.00 0.00 C ATOM 462 CD1 TYR A 33 57.940 10.463 3.259 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.938 8.483 4.242 1.00 0.00 C ATOM 464 CE1 TYR A 33 57.102 10.593 4.374 1.00 0.00 C ATOM 465 CE2 TYR A 33 58.100 8.613 5.356 1.00 0.00 C ATOM 466 CZ TYR A 33 57.182 9.668 5.422 1.00 0.00 C ATOM 467 OH TYR A 33 56.358 9.797 6.521 1.00 0.00 O ATOM 0 H TYR A 33 60.346 6.691 0.967 1.00 0.00 H new ATOM 0 HA TYR A 33 57.997 8.563 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.708 8.821 2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 33 59.989 10.256 1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.878 11.177 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 33 59.647 7.670 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 33 56.394 11.407 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 33 58.162 7.899 6.164 1.00 0.00 H new ATOM 0 HH TYR A 33 56.575 9.101 7.176 1.00 0.00 H new ATOM 477 N GLY A 34 60.838 8.458 -0.755 1.00 0.00 N ATOM 478 CA GLY A 34 61.392 8.795 -2.099 1.00 0.00 C ATOM 479 C GLY A 34 62.123 7.583 -2.682 1.00 0.00 C ATOM 480 O GLY A 34 62.945 7.712 -3.568 1.00 0.00 O ATOM 0 H GLY A 34 61.486 7.991 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.587 9.101 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.077 9.639 -2.018 1.00 0.00 H new ATOM 484 N THR A 35 61.832 6.409 -2.197 1.00 0.00 N ATOM 485 CA THR A 35 62.510 5.190 -2.727 1.00 0.00 C ATOM 486 C THR A 35 62.096 4.942 -4.181 1.00 0.00 C ATOM 487 O THR A 35 61.038 5.354 -4.614 1.00 0.00 O ATOM 488 CB THR A 35 62.025 4.053 -1.826 1.00 0.00 C ATOM 489 OG1 THR A 35 62.659 4.155 -0.559 1.00 0.00 O ATOM 490 CG2 THR A 35 62.370 2.708 -2.465 1.00 0.00 C ATOM 0 H THR A 35 61.153 6.239 -1.455 1.00 0.00 H new ATOM 0 HA THR A 35 63.596 5.282 -2.722 1.00 0.00 H new ATOM 0 HB THR A 35 60.945 4.124 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.456 5.027 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.023 1.900 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.883 2.632 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.450 2.632 -2.593 1.00 0.00 H new ATOM 498 N THR A 36 62.922 4.269 -4.938 1.00 0.00 N ATOM 499 CA THR A 36 62.574 3.993 -6.363 1.00 0.00 C ATOM 500 C THR A 36 61.943 2.604 -6.491 1.00 0.00 C ATOM 501 O THR A 36 61.240 2.313 -7.438 1.00 0.00 O ATOM 502 CB THR A 36 63.906 4.048 -7.113 1.00 0.00 C ATOM 503 OG1 THR A 36 64.655 5.167 -6.661 1.00 0.00 O ATOM 504 CG2 THR A 36 63.644 4.176 -8.614 1.00 0.00 C ATOM 0 H THR A 36 63.822 3.899 -4.632 1.00 0.00 H new ATOM 0 HA THR A 36 61.853 4.708 -6.760 1.00 0.00 H new ATOM 0 HB THR A 36 64.469 3.134 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.510 5.203 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.594 4.215 -9.147 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.070 3.316 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 36 63.081 5.089 -8.809 1.00 0.00 H new ATOM 512 N CYS A 37 62.187 1.749 -5.538 1.00 0.00 N ATOM 513 CA CYS A 37 61.603 0.376 -5.587 1.00 0.00 C ATOM 514 C CYS A 37 61.835 -0.269 -6.955 1.00 0.00 C ATOM 515 O CYS A 37 60.934 -0.360 -7.766 1.00 0.00 O ATOM 516 CB CYS A 37 60.106 0.572 -5.344 1.00 0.00 C ATOM 517 SG CYS A 37 59.228 -0.970 -5.706 1.00 0.00 S ATOM 0 H CYS A 37 62.769 1.941 -4.722 1.00 0.00 H new ATOM 0 HA CYS A 37 62.061 -0.282 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.930 0.869 -4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.727 1.376 -5.975 1.00 0.00 H new ATOM 522 N THR A 38 63.023 -0.735 -7.217 1.00 0.00 N ATOM 523 CA THR A 38 63.284 -1.389 -8.530 1.00 0.00 C ATOM 524 C THR A 38 62.767 -2.828 -8.484 1.00 0.00 C ATOM 525 O THR A 38 63.528 -3.772 -8.402 1.00 0.00 O ATOM 526 CB THR A 38 64.803 -1.366 -8.697 1.00 0.00 C ATOM 527 OG1 THR A 38 65.284 -0.050 -8.460 1.00 0.00 O ATOM 528 CG2 THR A 38 65.168 -1.795 -10.119 1.00 0.00 C ATOM 0 H THR A 38 63.821 -0.692 -6.583 1.00 0.00 H new ATOM 0 HA THR A 38 62.787 -0.886 -9.359 1.00 0.00 H new ATOM 0 HB THR A 38 65.258 -2.054 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 38 65.873 0.220 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 38 66.251 -1.778 -10.237 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.799 -2.804 -10.301 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.714 -1.109 -10.834 1.00 0.00 H new ATOM 536 N GLY A 39 61.474 -3.000 -8.524 1.00 0.00 N ATOM 537 CA GLY A 39 60.903 -4.375 -8.467 1.00 0.00 C ATOM 538 C GLY A 39 61.201 -4.985 -7.096 1.00 0.00 C ATOM 539 O GLY A 39 61.691 -6.092 -6.988 1.00 0.00 O ATOM 0 H GLY A 39 60.789 -2.248 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.827 -4.343 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 39 61.333 -4.993 -9.255 1.00 0.00 H new ATOM 543 N SER A 40 60.909 -4.267 -6.044 1.00 0.00 N ATOM 544 CA SER A 40 61.174 -4.798 -4.674 1.00 0.00 C ATOM 545 C SER A 40 59.977 -4.516 -3.762 1.00 0.00 C ATOM 546 O SER A 40 58.980 -3.971 -4.186 1.00 0.00 O ATOM 547 CB SER A 40 62.407 -4.038 -4.189 1.00 0.00 C ATOM 548 OG SER A 40 62.419 -2.741 -4.771 1.00 0.00 O ATOM 0 H SER A 40 60.498 -3.334 -6.074 1.00 0.00 H new ATOM 0 HA SER A 40 61.332 -5.876 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.397 -3.961 -3.102 1.00 0.00 H new ATOM 0 HB3 SER A 40 63.313 -4.580 -4.462 1.00 0.00 H new ATOM 0 HG SER A 40 63.208 -2.250 -4.460 1.00 0.00 H new ATOM 554 N ARG A 41 60.063 -4.884 -2.513 1.00 0.00 N ATOM 555 CA ARG A 41 58.922 -4.633 -1.585 1.00 0.00 C ATOM 556 C ARG A 41 59.419 -4.511 -0.143 1.00 0.00 C ATOM 557 O ARG A 41 60.588 -4.686 0.141 1.00 0.00 O ATOM 558 CB ARG A 41 58.019 -5.857 -1.735 1.00 0.00 C ATOM 559 CG ARG A 41 58.811 -7.118 -1.382 1.00 0.00 C ATOM 560 CD ARG A 41 57.870 -8.323 -1.351 1.00 0.00 C ATOM 561 NE ARG A 41 58.019 -8.964 -2.687 1.00 0.00 N ATOM 562 CZ ARG A 41 56.989 -9.528 -3.257 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.183 -10.275 -2.552 1.00 0.00 N ATOM 564 NH2 ARG A 41 56.766 -9.346 -4.530 1.00 0.00 N ATOM 0 H ARG A 41 60.871 -5.346 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 41 58.401 -3.704 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.151 -5.765 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.644 -5.923 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 41 59.602 -7.280 -2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 41 59.295 -6.996 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 41 58.138 -9.012 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.840 -8.015 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 41 58.925 -8.962 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.359 -10.417 -1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 41 55.378 -10.716 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 41 57.397 -8.763 -5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 41 55.961 -9.787 -4.975 1.00 0.00 H new ATOM 578 N PHE A 42 58.536 -4.218 0.773 1.00 0.00 N ATOM 579 CA PHE A 42 58.952 -4.092 2.199 1.00 0.00 C ATOM 580 C PHE A 42 58.139 -5.055 3.069 1.00 0.00 C ATOM 581 O PHE A 42 57.419 -5.900 2.576 1.00 0.00 O ATOM 582 CB PHE A 42 58.641 -2.646 2.588 1.00 0.00 C ATOM 583 CG PHE A 42 59.299 -1.694 1.620 1.00 0.00 C ATOM 584 CD1 PHE A 42 58.661 -1.364 0.418 1.00 0.00 C ATOM 585 CD2 PHE A 42 60.545 -1.134 1.925 1.00 0.00 C ATOM 586 CE1 PHE A 42 59.266 -0.479 -0.476 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.150 -0.246 1.030 1.00 0.00 C ATOM 588 CZ PHE A 42 60.510 0.080 -0.170 1.00 0.00 C ATOM 0 H PHE A 42 57.544 -4.060 0.595 1.00 0.00 H new ATOM 0 HA PHE A 42 60.006 -4.333 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.563 -2.486 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 42 58.995 -2.450 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 42 57.699 -1.795 0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 42 61.039 -1.388 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 42 58.773 -0.226 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 42 62.111 0.188 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.978 0.765 -0.862 1.00 0.00 H new ATOM 598 N ASP A 43 58.247 -4.923 4.361 1.00 0.00 N ATOM 599 CA ASP A 43 57.482 -5.815 5.277 1.00 0.00 C ATOM 600 C ASP A 43 57.758 -5.422 6.726 1.00 0.00 C ATOM 601 O ASP A 43 58.304 -6.187 7.497 1.00 0.00 O ATOM 602 CB ASP A 43 57.995 -7.227 4.992 1.00 0.00 C ATOM 603 CG ASP A 43 57.003 -8.252 5.545 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.983 -8.463 4.910 1.00 0.00 O ATOM 605 OD2 ASP A 43 57.280 -8.810 6.595 1.00 0.00 O ATOM 0 H ASP A 43 58.836 -4.231 4.825 1.00 0.00 H new ATOM 0 HA ASP A 43 56.405 -5.745 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.121 -7.370 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.974 -7.369 5.450 1.00 0.00 H new ATOM 610 N GLY A 44 57.389 -4.230 7.097 1.00 0.00 N ATOM 611 CA GLY A 44 57.632 -3.775 8.489 1.00 0.00 C ATOM 612 C GLY A 44 58.881 -2.894 8.518 1.00 0.00 C ATOM 613 O GLY A 44 59.851 -3.204 9.179 1.00 0.00 O ATOM 0 H GLY A 44 56.928 -3.550 6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.771 -3.218 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.762 -4.634 9.148 1.00 0.00 H new ATOM 617 N VAL A 45 58.880 -1.805 7.796 1.00 0.00 N ATOM 618 CA VAL A 45 60.091 -0.933 7.789 1.00 0.00 C ATOM 619 C VAL A 45 59.711 0.549 7.874 1.00 0.00 C ATOM 620 O VAL A 45 58.627 0.911 8.287 1.00 0.00 O ATOM 621 CB VAL A 45 60.796 -1.224 6.452 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.679 -2.711 6.114 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.153 -0.406 5.326 1.00 0.00 C ATOM 0 H VAL A 45 58.104 -1.484 7.218 1.00 0.00 H new ATOM 0 HA VAL A 45 60.730 -1.139 8.648 1.00 0.00 H new ATOM 0 HB VAL A 45 61.846 -0.949 6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.180 -2.909 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.146 -3.301 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.627 -2.984 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.660 -0.620 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.100 -0.672 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.242 0.657 5.552 1.00 0.00 H new ATOM 633 N THR A 46 60.614 1.398 7.468 1.00 0.00 N ATOM 634 CA THR A 46 60.358 2.865 7.493 1.00 0.00 C ATOM 635 C THR A 46 61.440 3.563 6.669 1.00 0.00 C ATOM 636 O THR A 46 62.171 4.399 7.161 1.00 0.00 O ATOM 637 CB THR A 46 60.453 3.272 8.963 1.00 0.00 C ATOM 638 OG1 THR A 46 59.522 2.517 9.723 1.00 0.00 O ATOM 639 CG2 THR A 46 60.140 4.764 9.100 1.00 0.00 C ATOM 0 H THR A 46 61.533 1.132 7.114 1.00 0.00 H new ATOM 0 HA THR A 46 59.388 3.135 7.075 1.00 0.00 H new ATOM 0 HB THR A 46 61.461 3.079 9.331 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.768 2.258 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.208 5.055 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 46 60.857 5.341 8.516 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.132 4.960 8.733 1.00 0.00 H new ATOM 647 N ILE A 47 61.561 3.202 5.421 1.00 0.00 N ATOM 648 CA ILE A 47 62.611 3.815 4.562 1.00 0.00 C ATOM 649 C ILE A 47 62.138 5.149 3.982 1.00 0.00 C ATOM 650 O ILE A 47 60.986 5.520 4.099 1.00 0.00 O ATOM 651 CB ILE A 47 62.835 2.803 3.437 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.848 3.367 2.438 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.508 2.539 2.721 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.199 2.295 1.403 1.00 0.00 C ATOM 0 H ILE A 47 60.975 2.507 4.959 1.00 0.00 H new ATOM 0 HA ILE A 47 63.520 4.026 5.125 1.00 0.00 H new ATOM 0 HB ILE A 47 63.217 1.872 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.434 4.245 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.748 3.691 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.665 1.818 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.784 2.140 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.129 3.471 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.920 2.698 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.630 1.430 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.296 1.993 0.872 1.00 0.00 H new ATOM 666 N THR A 48 63.025 5.864 3.350 1.00 0.00 N ATOM 667 CA THR A 48 62.649 7.170 2.745 1.00 0.00 C ATOM 668 C THR A 48 63.255 7.263 1.337 1.00 0.00 C ATOM 669 O THR A 48 63.180 6.329 0.565 1.00 0.00 O ATOM 670 CB THR A 48 63.240 8.225 3.685 1.00 0.00 C ATOM 671 OG1 THR A 48 64.602 7.915 3.947 1.00 0.00 O ATOM 672 CG2 THR A 48 62.454 8.231 4.997 1.00 0.00 C ATOM 0 H THR A 48 64.002 5.597 3.226 1.00 0.00 H new ATOM 0 HA THR A 48 61.573 7.304 2.637 1.00 0.00 H new ATOM 0 HB THR A 48 63.176 9.208 3.219 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.737 7.827 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.872 8.981 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.409 8.468 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.519 7.249 5.465 1.00 0.00 H new ATOM 680 N THR A 49 63.859 8.366 0.992 1.00 0.00 N ATOM 681 CA THR A 49 64.464 8.479 -0.365 1.00 0.00 C ATOM 682 C THR A 49 65.633 7.501 -0.493 1.00 0.00 C ATOM 683 O THR A 49 66.759 7.833 -0.193 1.00 0.00 O ATOM 684 CB THR A 49 64.968 9.918 -0.457 1.00 0.00 C ATOM 685 OG1 THR A 49 63.859 10.806 -0.503 1.00 0.00 O ATOM 686 CG2 THR A 49 65.812 10.081 -1.721 1.00 0.00 C ATOM 0 H THR A 49 63.960 9.189 1.586 1.00 0.00 H new ATOM 0 HA THR A 49 63.753 8.245 -1.157 1.00 0.00 H new ATOM 0 HB THR A 49 65.578 10.148 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.182 11.730 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.172 11.108 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.662 9.400 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.204 9.852 -2.596 1.00 0.00 H new ATOM 694 N SER A 50 65.381 6.298 -0.931 1.00 0.00 N ATOM 695 CA SER A 50 66.494 5.311 -1.064 1.00 0.00 C ATOM 696 C SER A 50 66.442 4.626 -2.431 1.00 0.00 C ATOM 697 O SER A 50 65.386 4.284 -2.925 1.00 0.00 O ATOM 698 CB SER A 50 66.255 4.294 0.051 1.00 0.00 C ATOM 699 OG SER A 50 67.203 4.503 1.089 1.00 0.00 O ATOM 0 H SER A 50 64.459 5.956 -1.201 1.00 0.00 H new ATOM 0 HA SER A 50 67.473 5.784 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.243 4.397 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.345 3.281 -0.340 1.00 0.00 H new ATOM 0 HG SER A 50 66.841 5.141 1.739 1.00 0.00 H new ATOM 705 N THR A 51 67.574 4.427 -3.050 1.00 0.00 N ATOM 706 CA THR A 51 67.580 3.767 -4.390 1.00 0.00 C ATOM 707 C THR A 51 67.590 2.241 -4.252 1.00 0.00 C ATOM 708 O THR A 51 67.980 1.535 -5.159 1.00 0.00 O ATOM 709 CB THR A 51 68.870 4.235 -5.056 1.00 0.00 C ATOM 710 OG1 THR A 51 69.154 5.569 -4.659 1.00 0.00 O ATOM 711 CG2 THR A 51 68.711 4.169 -6.574 1.00 0.00 C ATOM 0 H THR A 51 68.491 4.691 -2.690 1.00 0.00 H new ATOM 0 HA THR A 51 66.692 4.026 -4.966 1.00 0.00 H new ATOM 0 HB THR A 51 69.693 3.588 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.888 5.923 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.632 4.503 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.499 3.143 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.888 4.814 -6.882 1.00 0.00 H new ATOM 719 N SER A 52 67.169 1.733 -3.126 1.00 0.00 N ATOM 720 CA SER A 52 67.153 0.250 -2.920 1.00 0.00 C ATOM 721 C SER A 52 66.763 -0.474 -4.211 1.00 0.00 C ATOM 722 O SER A 52 65.704 -0.248 -4.763 1.00 0.00 O ATOM 723 CB SER A 52 66.101 0.019 -1.839 1.00 0.00 C ATOM 724 OG SER A 52 64.834 0.451 -2.318 1.00 0.00 O ATOM 0 H SER A 52 66.833 2.281 -2.334 1.00 0.00 H new ATOM 0 HA SER A 52 68.132 -0.134 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.062 -1.037 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.366 0.566 -0.934 1.00 0.00 H new ATOM 0 HG SER A 52 64.756 0.241 -3.272 1.00 0.00 H new ATOM 730 N THR A 53 67.606 -1.348 -4.697 1.00 0.00 N ATOM 731 CA THR A 53 67.271 -2.084 -5.952 1.00 0.00 C ATOM 732 C THR A 53 67.042 -3.565 -5.644 1.00 0.00 C ATOM 733 O THR A 53 67.958 -4.285 -5.300 1.00 0.00 O ATOM 734 CB THR A 53 68.490 -1.906 -6.861 1.00 0.00 C ATOM 735 OG1 THR A 53 68.997 -0.586 -6.721 1.00 0.00 O ATOM 736 CG2 THR A 53 68.082 -2.148 -8.315 1.00 0.00 C ATOM 0 H THR A 53 68.507 -1.583 -4.281 1.00 0.00 H new ATOM 0 HA THR A 53 66.361 -1.709 -6.420 1.00 0.00 H new ATOM 0 HB THR A 53 69.262 -2.622 -6.578 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.601 -0.548 -5.950 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.950 -2.021 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.695 -3.162 -8.421 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.310 -1.434 -8.600 1.00 0.00 H new ATOM 744 N GLY A 54 65.828 -4.025 -5.761 1.00 0.00 N ATOM 745 CA GLY A 54 65.548 -5.458 -5.469 1.00 0.00 C ATOM 746 C GLY A 54 66.118 -5.812 -4.094 1.00 0.00 C ATOM 747 O GLY A 54 67.182 -6.387 -3.982 1.00 0.00 O ATOM 0 H GLY A 54 65.019 -3.472 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.474 -5.642 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.995 -6.092 -6.235 1.00 0.00 H new ATOM 751 N SER A 55 65.421 -5.468 -3.045 1.00 0.00 N ATOM 752 CA SER A 55 65.930 -5.781 -1.679 1.00 0.00 C ATOM 753 C SER A 55 64.773 -5.863 -0.681 1.00 0.00 C ATOM 754 O SER A 55 64.022 -4.923 -0.508 1.00 0.00 O ATOM 755 CB SER A 55 66.853 -4.617 -1.326 1.00 0.00 C ATOM 756 OG SER A 55 66.217 -3.393 -1.674 1.00 0.00 O ATOM 0 H SER A 55 64.523 -4.985 -3.075 1.00 0.00 H new ATOM 0 HA SER A 55 66.445 -6.741 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.084 -4.631 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.799 -4.713 -1.859 1.00 0.00 H new ATOM 0 HG SER A 55 65.277 -3.423 -1.398 1.00 0.00 H new ATOM 762 N ARG A 56 64.631 -6.975 -0.015 1.00 0.00 N ATOM 763 CA ARG A 56 63.530 -7.111 0.980 1.00 0.00 C ATOM 764 C ARG A 56 63.888 -6.341 2.253 1.00 0.00 C ATOM 765 O ARG A 56 64.696 -6.779 3.047 1.00 0.00 O ATOM 766 CB ARG A 56 63.439 -8.611 1.263 1.00 0.00 C ATOM 767 CG ARG A 56 62.429 -8.861 2.383 1.00 0.00 C ATOM 768 CD ARG A 56 61.985 -10.327 2.353 1.00 0.00 C ATOM 769 NE ARG A 56 60.840 -10.401 3.301 1.00 0.00 N ATOM 770 CZ ARG A 56 59.626 -10.183 2.877 1.00 0.00 C ATOM 771 NH1 ARG A 56 59.201 -8.960 2.711 1.00 0.00 N ATOM 772 NH2 ARG A 56 58.836 -11.189 2.615 1.00 0.00 N ATOM 0 H ARG A 56 65.229 -7.795 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 56 62.583 -6.710 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.137 -9.144 0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.417 -8.997 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 56 62.875 -8.625 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.566 -8.206 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 56 61.687 -10.629 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 56 62.794 -10.991 2.658 1.00 0.00 H new ATOM 0 HE ARG A 56 61.005 -10.622 4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 56 59.819 -8.174 2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 56 58.251 -8.791 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 56 59.168 -12.145 2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 56 57.887 -11.019 2.283 1.00 0.00 H new ATOM 786 N ILE A 57 63.297 -5.195 2.450 1.00 0.00 N ATOM 787 CA ILE A 57 63.614 -4.396 3.668 1.00 0.00 C ATOM 788 C ILE A 57 62.787 -4.891 4.861 1.00 0.00 C ATOM 789 O ILE A 57 62.721 -4.250 5.890 1.00 0.00 O ATOM 790 CB ILE A 57 63.245 -2.952 3.307 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.775 -2.616 1.908 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.871 -1.997 4.325 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.284 -2.862 1.851 1.00 0.00 C ATOM 0 H ILE A 57 62.610 -4.778 1.822 1.00 0.00 H new ATOM 0 HA ILE A 57 64.661 -4.483 3.958 1.00 0.00 H new ATOM 0 HB ILE A 57 62.160 -2.845 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.269 -3.228 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.558 -1.575 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.609 -0.970 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.495 -2.230 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.955 -2.109 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.654 -2.621 0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.784 -2.231 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.491 -3.909 2.072 1.00 0.00 H new ATOM 805 N SER A 58 62.165 -6.030 4.730 1.00 0.00 N ATOM 806 CA SER A 58 61.347 -6.573 5.855 1.00 0.00 C ATOM 807 C SER A 58 62.076 -6.395 7.190 1.00 0.00 C ATOM 808 O SER A 58 63.270 -6.170 7.231 1.00 0.00 O ATOM 809 CB SER A 58 61.192 -8.058 5.539 1.00 0.00 C ATOM 810 OG SER A 58 62.407 -8.730 5.845 1.00 0.00 O ATOM 0 H SER A 58 62.187 -6.610 3.892 1.00 0.00 H new ATOM 0 HA SER A 58 60.389 -6.061 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.372 -8.482 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.942 -8.194 4.487 1.00 0.00 H new ATOM 0 HG SER A 58 62.312 -9.685 5.645 1.00 0.00 H new ATOM 816 N GLY A 59 61.368 -6.501 8.283 1.00 0.00 N ATOM 817 CA GLY A 59 62.023 -6.347 9.613 1.00 0.00 C ATOM 818 C GLY A 59 61.016 -5.793 10.622 1.00 0.00 C ATOM 819 O GLY A 59 59.992 -5.259 10.248 1.00 0.00 O ATOM 0 H GLY A 59 60.366 -6.687 8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.404 -7.309 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.878 -5.676 9.532 1.00 0.00 H new ATOM 823 N PRO A 60 61.348 -5.934 11.876 1.00 0.00 N ATOM 824 CA PRO A 60 60.468 -5.434 12.958 1.00 0.00 C ATOM 825 C PRO A 60 60.585 -3.913 13.061 1.00 0.00 C ATOM 826 O PRO A 60 60.933 -3.373 14.092 1.00 0.00 O ATOM 827 CB PRO A 60 61.021 -6.107 14.210 1.00 0.00 C ATOM 828 CG PRO A 60 62.453 -6.408 13.895 1.00 0.00 C ATOM 829 CD PRO A 60 62.564 -6.567 12.398 1.00 0.00 C ATOM 0 HA PRO A 60 59.413 -5.655 12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.938 -5.453 15.078 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.470 -7.018 14.444 1.00 0.00 H new ATOM 0 HG2 PRO A 60 63.100 -5.603 14.244 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.774 -7.318 14.402 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.461 -6.084 12.012 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.620 -7.617 12.112 1.00 0.00 H new ATOM 837 N GLY A 61 60.311 -3.219 11.992 1.00 0.00 N ATOM 838 CA GLY A 61 60.420 -1.735 12.017 1.00 0.00 C ATOM 839 C GLY A 61 61.666 -1.322 11.234 1.00 0.00 C ATOM 840 O GLY A 61 62.203 -0.248 11.416 1.00 0.00 O ATOM 0 H GLY A 61 60.016 -3.617 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.531 -1.283 11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.484 -1.378 13.045 1.00 0.00 H new ATOM 844 N CYS A 62 62.126 -2.180 10.362 1.00 0.00 N ATOM 845 CA CYS A 62 63.339 -1.865 9.552 1.00 0.00 C ATOM 846 C CYS A 62 63.338 -0.394 9.128 1.00 0.00 C ATOM 847 O CYS A 62 62.386 0.095 8.551 1.00 0.00 O ATOM 848 CB CYS A 62 63.227 -2.774 8.329 1.00 0.00 C ATOM 849 SG CYS A 62 64.880 -3.186 7.724 1.00 0.00 S ATOM 0 H CYS A 62 61.710 -3.092 10.175 1.00 0.00 H new ATOM 0 HA CYS A 62 64.262 -2.026 10.109 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.687 -3.684 8.589 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.656 -2.277 7.545 1.00 0.00 H new ATOM 854 N LYS A 63 64.395 0.319 9.407 1.00 0.00 N ATOM 855 CA LYS A 63 64.442 1.756 9.013 1.00 0.00 C ATOM 856 C LYS A 63 65.538 1.993 7.971 1.00 0.00 C ATOM 857 O LYS A 63 66.615 1.435 8.049 1.00 0.00 O ATOM 858 CB LYS A 63 64.760 2.513 10.302 1.00 0.00 C ATOM 859 CG LYS A 63 64.876 4.008 9.995 1.00 0.00 C ATOM 860 CD LYS A 63 64.902 4.797 11.305 1.00 0.00 C ATOM 861 CE LYS A 63 65.990 4.230 12.219 1.00 0.00 C ATOM 862 NZ LYS A 63 65.984 5.116 13.417 1.00 0.00 N ATOM 0 H LYS A 63 65.224 -0.029 9.888 1.00 0.00 H new ATOM 0 HA LYS A 63 63.505 2.086 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.977 2.341 11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.691 2.145 10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.783 4.203 9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.035 4.330 9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 65.094 5.851 11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 63 63.931 4.738 11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 63 65.778 3.196 12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 63 66.963 4.237 11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 66.705 4.791 14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 66.195 6.092 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 65.048 5.083 13.868 1.00 0.00 H new ATOM 876 N ILE A 64 65.274 2.822 6.998 1.00 0.00 N ATOM 877 CA ILE A 64 66.301 3.104 5.951 1.00 0.00 C ATOM 878 C ILE A 64 66.228 4.577 5.534 1.00 0.00 C ATOM 879 O ILE A 64 65.170 5.169 5.497 1.00 0.00 O ATOM 880 CB ILE A 64 65.936 2.199 4.771 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.014 0.731 5.199 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.918 2.438 3.623 1.00 0.00 C ATOM 883 CD1 ILE A 64 67.478 0.334 5.401 1.00 0.00 C ATOM 0 H ILE A 64 64.390 3.318 6.882 1.00 0.00 H new ATOM 0 HA ILE A 64 67.314 2.915 6.306 1.00 0.00 H new ATOM 0 HB ILE A 64 64.922 2.429 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 64 65.455 0.580 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 64 65.555 0.096 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.659 1.794 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 64 66.866 3.481 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.930 2.209 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 64 67.533 -0.711 5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 64 68.024 0.469 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.922 0.961 6.174 1.00 0.00 H new ATOM 895 N SER A 65 67.343 5.172 5.215 1.00 0.00 N ATOM 896 CA SER A 65 67.323 6.604 4.794 1.00 0.00 C ATOM 897 C SER A 65 68.432 6.866 3.774 1.00 0.00 C ATOM 898 O SER A 65 69.587 6.570 4.005 1.00 0.00 O ATOM 899 CB SER A 65 67.559 7.408 6.070 1.00 0.00 C ATOM 900 OG SER A 65 66.945 6.742 7.166 1.00 0.00 O ATOM 0 H SER A 65 68.264 4.733 5.227 1.00 0.00 H new ATOM 0 HA SER A 65 66.382 6.879 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.628 7.520 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.147 8.411 5.963 1.00 0.00 H new ATOM 0 HG SER A 65 67.096 7.255 7.987 1.00 0.00 H new ATOM 906 N THR A 66 68.082 7.411 2.642 1.00 0.00 N ATOM 907 CA THR A 66 69.104 7.686 1.593 1.00 0.00 C ATOM 908 C THR A 66 70.083 6.519 1.485 1.00 0.00 C ATOM 909 O THR A 66 71.275 6.674 1.666 1.00 0.00 O ATOM 910 CB THR A 66 69.828 8.953 2.038 1.00 0.00 C ATOM 911 OG1 THR A 66 68.908 9.827 2.679 1.00 0.00 O ATOM 912 CG2 THR A 66 70.417 9.635 0.802 1.00 0.00 C ATOM 0 H THR A 66 67.129 7.679 2.397 1.00 0.00 H new ATOM 0 HA THR A 66 68.648 7.812 0.611 1.00 0.00 H new ATOM 0 HB THR A 66 70.624 8.704 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.374 10.640 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.939 10.544 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.118 8.959 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.614 9.889 0.110 1.00 0.00 H new ATOM 920 N CYS A 67 69.589 5.353 1.183 1.00 0.00 N ATOM 921 CA CYS A 67 70.486 4.172 1.053 1.00 0.00 C ATOM 922 C CYS A 67 70.306 3.544 -0.326 1.00 0.00 C ATOM 923 O CYS A 67 69.282 2.959 -0.621 1.00 0.00 O ATOM 924 CB CYS A 67 70.031 3.201 2.142 1.00 0.00 C ATOM 925 SG CYS A 67 71.377 2.059 2.533 1.00 0.00 S ATOM 0 H CYS A 67 68.600 5.166 1.020 1.00 0.00 H new ATOM 0 HA CYS A 67 71.539 4.434 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.736 3.752 3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.155 2.646 1.806 1.00 0.00 H new ATOM 930 N ILE A 68 71.285 3.657 -1.181 1.00 0.00 N ATOM 931 CA ILE A 68 71.143 3.059 -2.537 1.00 0.00 C ATOM 932 C ILE A 68 70.817 1.568 -2.412 1.00 0.00 C ATOM 933 O ILE A 68 69.760 1.121 -2.798 1.00 0.00 O ATOM 934 CB ILE A 68 72.496 3.270 -3.221 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.585 4.707 -3.741 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.633 2.301 -4.398 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.902 5.650 -2.582 1.00 0.00 C ATOM 0 H ILE A 68 72.169 4.133 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 68 70.337 3.516 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 68 73.295 3.088 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.358 4.781 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.644 4.994 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.597 2.453 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 68 72.567 1.275 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.833 2.484 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.965 6.673 -2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 68 72.113 5.584 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.854 5.367 -2.133 1.00 0.00 H new ATOM 949 N ILE A 69 71.720 0.804 -1.866 1.00 0.00 N ATOM 950 CA ILE A 69 71.469 -0.660 -1.701 1.00 0.00 C ATOM 951 C ILE A 69 71.105 -1.303 -3.041 1.00 0.00 C ATOM 952 O ILE A 69 70.739 -0.632 -3.986 1.00 0.00 O ATOM 953 CB ILE A 69 70.284 -0.763 -0.734 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.439 0.259 0.393 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.226 -2.170 -0.135 1.00 0.00 C ATOM 956 CD1 ILE A 69 69.239 0.166 1.337 1.00 0.00 C ATOM 0 H ILE A 69 72.625 1.128 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 69 72.354 -1.176 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 69 69.364 -0.561 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 69 71.362 0.073 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.512 1.265 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.382 -2.239 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.104 -2.901 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.151 -2.374 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 69 69.350 0.895 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.323 0.373 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 69 69.187 -0.837 1.762 1.00 0.00 H new ATOM 968 N THR A 70 71.193 -2.602 -3.125 1.00 0.00 N ATOM 969 CA THR A 70 70.841 -3.295 -4.395 1.00 0.00 C ATOM 970 C THR A 70 70.218 -4.664 -4.086 1.00 0.00 C ATOM 971 O THR A 70 69.220 -4.755 -3.400 1.00 0.00 O ATOM 972 CB THR A 70 72.163 -3.445 -5.150 1.00 0.00 C ATOM 973 OG1 THR A 70 72.868 -2.212 -5.115 1.00 0.00 O ATOM 974 CG2 THR A 70 71.879 -3.834 -6.602 1.00 0.00 C ATOM 0 H THR A 70 71.494 -3.214 -2.367 1.00 0.00 H new ATOM 0 HA THR A 70 70.109 -2.743 -4.985 1.00 0.00 H new ATOM 0 HB THR A 70 72.767 -4.221 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 70 73.716 -2.306 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.820 -3.941 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 70 71.338 -4.780 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.276 -3.059 -7.075 1.00 0.00 H new ATOM 982 N GLY A 71 70.793 -5.731 -4.579 1.00 0.00 N ATOM 983 CA GLY A 71 70.224 -7.077 -4.305 1.00 0.00 C ATOM 984 C GLY A 71 70.330 -7.381 -2.813 1.00 0.00 C ATOM 985 O GLY A 71 71.193 -8.118 -2.380 1.00 0.00 O ATOM 0 H GLY A 71 71.632 -5.724 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.182 -7.114 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.758 -7.833 -4.880 1.00 0.00 H new ATOM 989 N GLY A 72 69.464 -6.815 -2.021 1.00 0.00 N ATOM 990 CA GLY A 72 69.523 -7.071 -0.557 1.00 0.00 C ATOM 991 C GLY A 72 70.896 -6.644 -0.033 1.00 0.00 C ATOM 992 O GLY A 72 71.305 -7.021 1.048 1.00 0.00 O ATOM 0 H GLY A 72 68.719 -6.187 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.736 -6.517 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.354 -8.128 -0.352 1.00 0.00 H new ATOM 996 N VAL A 73 71.608 -5.863 -0.795 1.00 0.00 N ATOM 997 CA VAL A 73 72.960 -5.410 -0.349 1.00 0.00 C ATOM 998 C VAL A 73 73.026 -3.880 -0.302 1.00 0.00 C ATOM 999 O VAL A 73 72.499 -3.213 -1.167 1.00 0.00 O ATOM 1000 CB VAL A 73 73.905 -5.927 -1.424 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.826 -7.453 -1.493 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.483 -5.327 -2.764 1.00 0.00 C ATOM 0 H VAL A 73 71.314 -5.517 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 73 73.207 -5.774 0.648 1.00 0.00 H new ATOM 0 HB VAL A 73 74.930 -5.640 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.504 -7.818 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.111 -7.876 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.807 -7.754 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.149 -5.686 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.460 -5.627 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 73 73.539 -4.240 -2.710 1.00 0.00 H new ATOM 1012 N PRO A 74 73.693 -3.377 0.702 1.00 0.00 N ATOM 1013 CA PRO A 74 73.852 -1.916 0.853 1.00 0.00 C ATOM 1014 C PRO A 74 75.048 -1.428 0.030 1.00 0.00 C ATOM 1015 O PRO A 74 76.140 -1.949 0.138 1.00 0.00 O ATOM 1016 CB PRO A 74 74.120 -1.742 2.342 1.00 0.00 C ATOM 1017 CG PRO A 74 74.700 -3.048 2.804 1.00 0.00 C ATOM 1018 CD PRO A 74 74.350 -4.111 1.785 1.00 0.00 C ATOM 0 HA PRO A 74 72.987 -1.350 0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.813 -0.920 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 74 73.202 -1.509 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.782 -2.966 2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.302 -3.315 3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 74 75.241 -4.629 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.690 -4.867 2.210 1.00 0.00 H new ATOM 1026 N ALA A 75 74.856 -0.432 -0.790 1.00 0.00 N ATOM 1027 CA ALA A 75 75.989 0.082 -1.612 1.00 0.00 C ATOM 1028 C ALA A 75 76.822 1.073 -0.797 1.00 0.00 C ATOM 1029 O ALA A 75 76.467 1.416 0.313 1.00 0.00 O ATOM 1030 CB ALA A 75 75.334 0.785 -2.800 1.00 0.00 C ATOM 0 H ALA A 75 73.966 0.048 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 75 76.661 -0.714 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.106 1.191 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.727 0.070 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.701 1.595 -2.439 1.00 0.00 H new ATOM 1036 N PRO A 76 77.905 1.505 -1.381 1.00 0.00 N ATOM 1037 CA PRO A 76 78.802 2.474 -0.703 1.00 0.00 C ATOM 1038 C PRO A 76 78.131 3.847 -0.626 1.00 0.00 C ATOM 1039 O PRO A 76 78.640 4.829 -1.132 1.00 0.00 O ATOM 1040 CB PRO A 76 80.036 2.511 -1.602 1.00 0.00 C ATOM 1041 CG PRO A 76 79.543 2.086 -2.949 1.00 0.00 C ATOM 1042 CD PRO A 76 78.395 1.140 -2.715 1.00 0.00 C ATOM 0 HA PRO A 76 79.044 2.197 0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.470 3.510 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.812 1.839 -1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.220 2.949 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.337 1.598 -3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 76 77.619 1.258 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.720 0.100 -2.751 1.00 0.00 H new ATOM 1050 N SER A 77 76.990 3.921 0.004 1.00 0.00 N ATOM 1051 CA SER A 77 76.281 5.226 0.115 1.00 0.00 C ATOM 1052 C SER A 77 76.759 5.984 1.356 1.00 0.00 C ATOM 1053 O SER A 77 76.523 5.575 2.475 1.00 0.00 O ATOM 1054 CB SER A 77 74.803 4.859 0.245 1.00 0.00 C ATOM 1055 OG SER A 77 74.018 6.043 0.199 1.00 0.00 O ATOM 0 H SER A 77 76.518 3.132 0.447 1.00 0.00 H new ATOM 0 HA SER A 77 76.467 5.874 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 77 74.512 4.185 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.629 4.330 1.182 1.00 0.00 H new ATOM 0 HG SER A 77 73.199 5.913 0.721 1.00 0.00 H new ATOM 1061 N ALA A 78 77.432 7.087 1.164 1.00 0.00 N ATOM 1062 CA ALA A 78 77.928 7.873 2.331 1.00 0.00 C ATOM 1063 C ALA A 78 76.755 8.515 3.078 1.00 0.00 C ATOM 1064 O ALA A 78 76.928 9.132 4.109 1.00 0.00 O ATOM 1065 CB ALA A 78 78.834 8.949 1.729 1.00 0.00 C ATOM 0 H ALA A 78 77.660 7.478 0.250 1.00 0.00 H new ATOM 0 HA ALA A 78 78.458 7.250 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.240 9.571 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.652 8.474 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.256 9.569 1.043 1.00 0.00 H new ATOM 1071 N ALA A 79 75.563 8.381 2.562 1.00 0.00 N ATOM 1072 CA ALA A 79 74.385 8.991 3.243 1.00 0.00 C ATOM 1073 C ALA A 79 73.540 7.910 3.926 1.00 0.00 C ATOM 1074 O ALA A 79 72.929 8.143 4.949 1.00 0.00 O ATOM 1075 CB ALA A 79 73.588 9.664 2.126 1.00 0.00 C ATOM 0 H ALA A 79 75.354 7.877 1.700 1.00 0.00 H new ATOM 0 HA ALA A 79 74.681 9.696 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.701 10.138 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.207 10.418 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.286 8.916 1.393 1.00 0.00 H new ATOM 1081 N CYS A 80 73.503 6.729 3.371 1.00 0.00 N ATOM 1082 CA CYS A 80 72.696 5.643 3.997 1.00 0.00 C ATOM 1083 C CYS A 80 72.968 5.596 5.505 1.00 0.00 C ATOM 1084 O CYS A 80 73.904 6.201 5.990 1.00 0.00 O ATOM 1085 CB CYS A 80 73.166 4.359 3.315 1.00 0.00 C ATOM 1086 SG CYS A 80 72.339 2.940 4.070 1.00 0.00 S ATOM 0 H CYS A 80 73.994 6.470 2.515 1.00 0.00 H new ATOM 0 HA CYS A 80 71.623 5.792 3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.944 4.398 2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.247 4.258 3.412 1.00 0.00 H new ATOM 1091 N LYS A 81 72.156 4.898 6.254 1.00 0.00 N ATOM 1092 CA LYS A 81 72.380 4.845 7.730 1.00 0.00 C ATOM 1093 C LYS A 81 72.901 3.467 8.170 1.00 0.00 C ATOM 1094 O LYS A 81 73.770 3.371 9.013 1.00 0.00 O ATOM 1095 CB LYS A 81 71.006 5.180 8.353 1.00 0.00 C ATOM 1096 CG LYS A 81 70.260 3.921 8.831 1.00 0.00 C ATOM 1097 CD LYS A 81 69.523 3.275 7.655 1.00 0.00 C ATOM 1098 CE LYS A 81 69.471 1.756 7.851 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.778 1.555 9.156 1.00 0.00 N ATOM 0 H LYS A 81 71.355 4.367 5.913 1.00 0.00 H new ATOM 0 HA LYS A 81 73.145 5.549 8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.147 5.858 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.395 5.705 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.966 3.212 9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.551 4.184 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.512 3.677 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.030 3.514 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.929 1.272 7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.473 1.326 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.075 0.649 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 69.026 2.330 9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.749 1.546 9.005 1.00 0.00 H new ATOM 1113 N ILE A 82 72.376 2.403 7.627 1.00 0.00 N ATOM 1114 CA ILE A 82 72.850 1.050 8.048 1.00 0.00 C ATOM 1115 C ILE A 82 72.856 0.960 9.578 1.00 0.00 C ATOM 1116 O ILE A 82 73.890 0.787 10.192 1.00 0.00 O ATOM 1117 CB ILE A 82 74.278 0.932 7.513 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.257 0.870 5.985 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.924 -0.341 8.060 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.271 -0.205 5.525 1.00 0.00 C ATOM 0 H ILE A 82 71.645 2.409 6.916 1.00 0.00 H new ATOM 0 HA ILE A 82 72.209 0.254 7.669 1.00 0.00 H new ATOM 0 HB ILE A 82 74.852 1.802 7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 82 73.970 1.839 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.255 0.647 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.942 -0.425 7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.947 -0.298 9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.345 -1.208 7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.259 -0.246 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.577 -1.173 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.273 0.037 5.890 1.00 0.00 H new ATOM 1132 N SER A 83 71.715 1.090 10.201 1.00 0.00 N ATOM 1133 CA SER A 83 71.669 1.027 11.690 1.00 0.00 C ATOM 1134 C SER A 83 70.996 -0.268 12.160 1.00 0.00 C ATOM 1135 O SER A 83 71.643 -1.169 12.656 1.00 0.00 O ATOM 1136 CB SER A 83 70.846 2.242 12.112 1.00 0.00 C ATOM 1137 OG SER A 83 70.886 2.368 13.527 1.00 0.00 O ATOM 0 H SER A 83 70.815 1.237 9.744 1.00 0.00 H new ATOM 0 HA SER A 83 72.667 1.034 12.128 1.00 0.00 H new ATOM 0 HB2 SER A 83 71.241 3.144 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.815 2.133 11.774 1.00 0.00 H new ATOM 0 HG SER A 83 70.360 3.148 13.801 1.00 0.00 H new ATOM 1143 N GLY A 84 69.702 -0.365 12.019 1.00 0.00 N ATOM 1144 CA GLY A 84 68.997 -1.599 12.470 1.00 0.00 C ATOM 1145 C GLY A 84 67.988 -2.041 11.410 1.00 0.00 C ATOM 1146 O GLY A 84 66.793 -1.993 11.621 1.00 0.00 O ATOM 0 H GLY A 84 69.104 0.354 11.612 1.00 0.00 H new ATOM 0 HA2 GLY A 84 69.719 -2.395 12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 84 68.486 -1.411 13.414 1.00 0.00 H new ATOM 1150 N CYS A 85 68.457 -2.477 10.275 1.00 0.00 N ATOM 1151 CA CYS A 85 67.515 -2.927 9.210 1.00 0.00 C ATOM 1152 C CYS A 85 67.994 -4.253 8.613 1.00 0.00 C ATOM 1153 O CYS A 85 68.667 -5.028 9.265 1.00 0.00 O ATOM 1154 CB CYS A 85 67.544 -1.818 8.157 1.00 0.00 C ATOM 1155 SG CYS A 85 65.849 -1.413 7.666 1.00 0.00 S ATOM 0 H CYS A 85 69.447 -2.542 10.038 1.00 0.00 H new ATOM 0 HA CYS A 85 66.508 -3.095 9.591 1.00 0.00 H new ATOM 0 HB2 CYS A 85 68.040 -0.934 8.557 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.119 -2.140 7.289 1.00 0.00 H new ATOM 1160 N THR A 86 67.655 -4.524 7.382 1.00 0.00 N ATOM 1161 CA THR A 86 68.100 -5.802 6.758 1.00 0.00 C ATOM 1162 C THR A 86 67.531 -5.946 5.352 1.00 0.00 C ATOM 1163 O THR A 86 66.405 -5.578 5.080 1.00 0.00 O ATOM 1164 CB THR A 86 67.540 -6.904 7.654 1.00 0.00 C ATOM 1165 OG1 THR A 86 67.630 -8.150 6.976 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.074 -6.605 7.984 1.00 0.00 C ATOM 0 H THR A 86 67.092 -3.919 6.784 1.00 0.00 H new ATOM 0 HA THR A 86 69.186 -5.845 6.671 1.00 0.00 H new ATOM 0 HB THR A 86 68.114 -6.948 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 86 67.273 -8.861 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 86 65.677 -7.393 8.624 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.005 -5.648 8.502 1.00 0.00 H new ATOM 0 HG23 THR A 86 65.495 -6.560 7.061 1.00 0.00 H new ATOM 1174 N PHE A 87 68.299 -6.499 4.462 1.00 0.00 N ATOM 1175 CA PHE A 87 67.804 -6.696 3.069 1.00 0.00 C ATOM 1176 C PHE A 87 68.017 -8.156 2.662 1.00 0.00 C ATOM 1177 O PHE A 87 68.906 -8.823 3.154 1.00 0.00 O ATOM 1178 CB PHE A 87 68.631 -5.781 2.147 1.00 0.00 C ATOM 1179 CG PHE A 87 69.279 -4.644 2.905 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.530 -3.869 3.798 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.636 -4.363 2.702 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.138 -2.817 4.493 1.00 0.00 C ATOM 1183 CE2 PHE A 87 71.244 -3.311 3.397 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.495 -2.539 4.293 1.00 0.00 C ATOM 0 H PHE A 87 69.250 -6.825 4.635 1.00 0.00 H new ATOM 0 HA PHE A 87 66.743 -6.456 2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.402 -6.370 1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.987 -5.375 1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.482 -4.083 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 87 71.213 -4.958 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.560 -2.220 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 87 72.291 -3.095 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.965 -1.728 4.830 1.00 0.00 H new ATOM 1194 N SER A 88 67.217 -8.657 1.765 1.00 0.00 N ATOM 1195 CA SER A 88 67.382 -10.071 1.326 1.00 0.00 C ATOM 1196 C SER A 88 67.141 -10.176 -0.179 1.00 0.00 C ATOM 1197 O SER A 88 66.996 -11.253 -0.724 1.00 0.00 O ATOM 1198 CB SER A 88 66.319 -10.853 2.096 1.00 0.00 C ATOM 1199 OG SER A 88 66.178 -10.299 3.398 1.00 0.00 O ATOM 0 H SER A 88 66.455 -8.149 1.316 1.00 0.00 H new ATOM 0 HA SER A 88 68.384 -10.454 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 88 65.367 -10.813 1.566 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.602 -11.903 2.164 1.00 0.00 H new ATOM 0 HG SER A 88 65.495 -10.798 3.894 1.00 0.00 H new ATOM 1205 N ALA A 89 67.087 -9.057 -0.854 1.00 0.00 N ATOM 1206 CA ALA A 89 66.844 -9.070 -2.329 1.00 0.00 C ATOM 1207 C ALA A 89 65.389 -9.448 -2.622 1.00 0.00 C ATOM 1208 O ALA A 89 64.978 -9.517 -3.764 1.00 0.00 O ATOM 1209 CB ALA A 89 67.795 -10.127 -2.889 1.00 0.00 C ATOM 0 H ALA A 89 67.201 -8.129 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 89 67.018 -8.093 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.671 -10.192 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 89 68.824 -9.850 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 89 67.569 -11.094 -2.440 1.00 0.00 H new ATOM 1215 N ASN A 90 64.611 -9.689 -1.596 1.00 0.00 N ATOM 1216 CA ASN A 90 63.179 -10.063 -1.787 1.00 0.00 C ATOM 1217 C ASN A 90 62.995 -10.906 -3.056 1.00 0.00 C ATOM 1218 O ASN A 90 63.933 -11.590 -3.430 1.00 0.00 O ATOM 1219 CB ASN A 90 62.434 -8.727 -1.890 1.00 0.00 C ATOM 1220 CG ASN A 90 62.506 -8.192 -3.324 1.00 0.00 C ATOM 1221 OD1 ASN A 90 63.568 -7.542 -3.712 1.00 0.00 O flip ATOM 1222 ND2 ASN A 90 61.586 -8.369 -4.097 1.00 0.00 N flip ATOM 1223 OXT ASN A 90 61.919 -10.853 -3.628 1.00 0.00 O ATOM 0 H ASN A 90 64.913 -9.641 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 90 62.801 -10.675 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.393 -8.859 -1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.872 -8.004 -1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 90 60.755 -8.877 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 90 61.644 -8.009 -5.050 1.00 0.00 H new