USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 515 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0.0399 USER MOD Set 2.1: A 26 CYS SG : rot 106:sc= -1.66 USER MOD Set 2.2: A 28 CYS SG : rot -170:sc= 1.09 USER MOD Set 2.3: A 53 CYS SG : rot 128:sc= -1.07 USER MOD Set 2.4: A 58 CYS SG : rot 137:sc= 0.182 USER MOD Set 3.1: A 8 CYS SG : rot -110:sc= 0.257 USER MOD Set 3.2: A 11 CYS SG : rot -171:sc= 0.68 USER MOD Set 3.3: A 15 TYR OH : rot 176:sc= 1.11 USER MOD Set 3.4: A 31 CYS SG : rot -66:sc= -1.77 USER MOD Set 3.5: A 34 CYS SG : rot 92:sc= -1.64 USER MOD Single : A 7 SER OG : rot 10:sc= 0.728 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.655 K(o=-0.65,f=-5.8!) USER MOD Single : A 20 MET CE :methyl 141:sc= -0.887 (180deg=-3.11!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00856 USER MOD Single : A 25 GLN : amide:sc= -6.8! C(o=-6.8!,f=-11!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -77:sc= -1.9 USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= -1.47! (180deg=-2.9!) USER MOD Single : A 49 THR OG1 : rot -116:sc= -1.24 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 65 GLN : amide:sc= -15.5! C(o=-16!,f=-9.8!) USER MOD Single : A 67 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.25) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -167:sc= -0.0643 (180deg=-0.453) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.311 -5.796 0.677 1.00 0.00 N ATOM 92 CA SER A 7 -14.419 -4.395 0.287 1.00 0.00 C ATOM 93 C SER A 7 -13.100 -3.887 -0.285 1.00 0.00 C ATOM 94 O SER A 7 -13.014 -3.538 -1.463 1.00 0.00 O ATOM 95 CB SER A 7 -14.830 -3.541 1.489 1.00 0.00 C ATOM 96 OG SER A 7 -15.410 -4.337 2.507 1.00 0.00 O ATOM 0 HA SER A 7 -15.184 -4.316 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.958 -3.020 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.540 -2.778 1.171 1.00 0.00 H new ATOM 0 HG SER A 7 -15.286 -5.285 2.292 1.00 0.00 H new ATOM 102 N CYS A 8 -12.073 -3.847 0.557 1.00 0.00 N ATOM 103 CA CYS A 8 -10.757 -3.383 0.136 1.00 0.00 C ATOM 104 C CYS A 8 -10.466 -3.798 -1.303 1.00 0.00 C ATOM 105 O CYS A 8 -10.886 -4.866 -1.750 1.00 0.00 O ATOM 106 CB CYS A 8 -9.676 -3.937 1.067 1.00 0.00 C ATOM 107 SG CYS A 8 -8.035 -3.180 0.833 1.00 0.00 S ATOM 0 H CYS A 8 -12.127 -4.131 1.535 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.750 -2.294 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.990 -3.787 2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.594 -5.013 0.911 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.228 -4.049 0.301 1.00 0.00 H new ATOM 112 N LYS A 9 -9.745 -2.947 -2.025 1.00 0.00 N ATOM 113 CA LYS A 9 -9.397 -3.224 -3.413 1.00 0.00 C ATOM 114 C LYS A 9 -7.883 -3.258 -3.598 1.00 0.00 C ATOM 115 O LYS A 9 -7.379 -3.105 -4.712 1.00 0.00 O ATOM 116 CB LYS A 9 -10.011 -2.170 -4.336 1.00 0.00 C ATOM 117 CG LYS A 9 -11.466 -1.863 -4.026 1.00 0.00 C ATOM 118 CD LYS A 9 -11.637 -0.452 -3.489 1.00 0.00 C ATOM 119 CE LYS A 9 -13.013 0.106 -3.816 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.056 -0.410 -2.887 1.00 0.00 N ATOM 0 H LYS A 9 -9.390 -2.059 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.799 -4.203 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.430 -1.251 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.933 -2.513 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.065 -1.984 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.842 -2.579 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.491 -0.453 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.870 0.196 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.986 1.194 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.277 -0.156 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.980 -0.006 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.100 -1.447 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.818 -0.138 -1.912 1.00 0.00 H new ATOM 134 N LEU A 10 -7.161 -3.458 -2.500 1.00 0.00 N ATOM 135 CA LEU A 10 -5.705 -3.512 -2.541 1.00 0.00 C ATOM 136 C LEU A 10 -5.203 -4.918 -2.230 1.00 0.00 C ATOM 137 O LEU A 10 -4.005 -5.193 -2.303 1.00 0.00 O ATOM 138 CB LEU A 10 -5.109 -2.514 -1.547 1.00 0.00 C ATOM 139 CG LEU A 10 -5.239 -1.037 -1.920 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.249 -0.170 -0.671 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.109 -0.620 -2.851 1.00 0.00 C ATOM 0 H LEU A 10 -7.561 -3.585 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.385 -3.246 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.586 -2.667 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.051 -2.745 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.185 -0.896 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.342 0.878 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.092 -0.451 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.320 -0.315 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.218 0.434 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.152 -0.776 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.147 -1.219 -3.761 1.00 0.00 H new ATOM 153 N CYS A 11 -6.128 -5.807 -1.883 1.00 0.00 N ATOM 154 CA CYS A 11 -5.782 -7.187 -1.561 1.00 0.00 C ATOM 155 C CYS A 11 -6.983 -8.108 -1.753 1.00 0.00 C ATOM 156 O CYS A 11 -6.842 -9.241 -2.216 1.00 0.00 O ATOM 157 CB CYS A 11 -5.274 -7.284 -0.121 1.00 0.00 C ATOM 158 SG CYS A 11 -6.517 -6.845 1.136 1.00 0.00 S ATOM 0 H CYS A 11 -7.124 -5.596 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.991 -7.506 -2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.929 -8.301 0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.410 -6.629 -0.007 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.948 -6.773 2.303 1.00 0.00 H new ATOM 163 N LEU A 12 -8.162 -7.615 -1.395 1.00 0.00 N ATOM 164 CA LEU A 12 -9.389 -8.393 -1.527 1.00 0.00 C ATOM 165 C LEU A 12 -9.415 -9.543 -0.526 1.00 0.00 C ATOM 166 O LEU A 12 -9.662 -10.692 -0.892 1.00 0.00 O ATOM 167 CB LEU A 12 -9.520 -8.938 -2.951 1.00 0.00 C ATOM 168 CG LEU A 12 -9.081 -7.996 -4.074 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.202 -8.682 -5.425 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.904 -6.716 -4.047 1.00 0.00 C ATOM 0 H LEU A 12 -8.295 -6.680 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.232 -7.734 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.934 -9.854 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.562 -9.211 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.035 -7.735 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.885 -7.996 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.569 -9.569 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.239 -8.973 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.579 -6.057 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.958 -6.958 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.765 -6.214 -3.089 1.00 0.00 H new ATOM 182 N GLY A 13 -9.161 -9.226 0.739 1.00 0.00 N ATOM 183 CA GLY A 13 -9.162 -10.243 1.774 1.00 0.00 C ATOM 184 C GLY A 13 -10.388 -10.166 2.662 1.00 0.00 C ATOM 185 O GLY A 13 -10.715 -11.122 3.365 1.00 0.00 O ATOM 0 H GLY A 13 -8.954 -8.282 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.114 -11.228 1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.267 -10.135 2.386 1.00 0.00 H new ATOM 189 N GLU A 14 -11.068 -9.024 2.631 1.00 0.00 N ATOM 190 CA GLU A 14 -12.265 -8.826 3.442 1.00 0.00 C ATOM 191 C GLU A 14 -11.895 -8.502 4.887 1.00 0.00 C ATOM 192 O GLU A 14 -11.070 -9.184 5.495 1.00 0.00 O ATOM 193 CB GLU A 14 -13.150 -10.072 3.397 1.00 0.00 C ATOM 194 CG GLU A 14 -13.222 -10.816 4.721 1.00 0.00 C ATOM 195 CD GLU A 14 -14.152 -12.013 4.669 1.00 0.00 C ATOM 196 OE1 GLU A 14 -13.754 -13.048 4.094 1.00 0.00 O ATOM 197 OE2 GLU A 14 -15.277 -11.913 5.201 1.00 0.00 O ATOM 0 H GLU A 14 -10.811 -8.223 2.054 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.818 -7.982 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.157 -9.781 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.772 -10.748 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.223 -11.149 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.560 -10.132 5.500 1.00 0.00 H new ATOM 204 N TYR A 15 -12.510 -7.457 5.428 1.00 0.00 N ATOM 205 CA TYR A 15 -12.244 -7.041 6.800 1.00 0.00 C ATOM 206 C TYR A 15 -13.360 -6.140 7.321 1.00 0.00 C ATOM 207 O TYR A 15 -14.014 -5.418 6.568 1.00 0.00 O ATOM 208 CB TYR A 15 -10.903 -6.311 6.883 1.00 0.00 C ATOM 209 CG TYR A 15 -9.835 -6.904 5.992 1.00 0.00 C ATOM 210 CD1 TYR A 15 -8.886 -7.782 6.503 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.773 -6.587 4.641 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.908 -8.327 5.693 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.799 -7.127 3.824 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.869 -7.996 4.355 1.00 0.00 C ATOM 215 OH TYR A 15 -6.897 -8.537 3.544 1.00 0.00 O ATOM 0 H TYR A 15 -13.196 -6.882 4.938 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.202 -7.935 7.423 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.051 -5.265 6.613 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.553 -6.327 7.915 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.914 -8.043 7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.499 -5.906 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.178 -9.008 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.766 -6.870 2.775 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.048 -8.254 2.618 1.00 0.00 H new ATOM 225 N PRO A 16 -13.582 -6.179 8.643 1.00 0.00 N ATOM 226 CA PRO A 16 -14.616 -5.372 9.297 1.00 0.00 C ATOM 227 C PRO A 16 -14.276 -3.886 9.301 1.00 0.00 C ATOM 228 O PRO A 16 -13.135 -3.500 9.046 1.00 0.00 O ATOM 229 CB PRO A 16 -14.642 -5.919 10.727 1.00 0.00 C ATOM 230 CG PRO A 16 -13.282 -6.488 10.939 1.00 0.00 C ATOM 231 CD PRO A 16 -12.840 -7.016 9.603 1.00 0.00 C ATOM 0 HA PRO A 16 -15.574 -5.442 8.782 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.858 -5.131 11.448 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.413 -6.681 10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.593 -5.726 11.305 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.304 -7.283 11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.762 -6.921 9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.084 -8.072 9.488 1.00 0.00 H new ATOM 239 N VAL A 17 -15.273 -3.056 9.590 1.00 0.00 N ATOM 240 CA VAL A 17 -15.078 -1.611 9.629 1.00 0.00 C ATOM 241 C VAL A 17 -14.092 -1.218 10.724 1.00 0.00 C ATOM 242 O VAL A 17 -13.563 -0.108 10.725 1.00 0.00 O ATOM 243 CB VAL A 17 -16.408 -0.872 9.862 1.00 0.00 C ATOM 244 CG1 VAL A 17 -16.478 -0.331 11.282 1.00 0.00 C ATOM 245 CG2 VAL A 17 -16.579 0.249 8.847 1.00 0.00 C ATOM 0 H VAL A 17 -16.224 -3.359 9.801 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.674 -1.320 8.659 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.225 -1.581 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.425 0.188 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.404 -1.157 11.990 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.655 0.364 11.448 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.524 0.761 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -15.758 0.958 8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.578 -0.169 7.840 1.00 0.00 H new ATOM 255 N GLU A 18 -13.852 -2.137 11.654 1.00 0.00 N ATOM 256 CA GLU A 18 -12.929 -1.886 12.755 1.00 0.00 C ATOM 257 C GLU A 18 -11.514 -2.326 12.390 1.00 0.00 C ATOM 258 O GLU A 18 -10.621 -2.337 13.235 1.00 0.00 O ATOM 259 CB GLU A 18 -13.393 -2.619 14.016 1.00 0.00 C ATOM 260 CG GLU A 18 -14.782 -2.213 14.478 1.00 0.00 C ATOM 261 CD GLU A 18 -15.158 -2.834 15.809 1.00 0.00 C ATOM 262 OE1 GLU A 18 -16.176 -2.410 16.395 1.00 0.00 O ATOM 263 OE2 GLU A 18 -14.436 -3.744 16.266 1.00 0.00 O ATOM 0 H GLU A 18 -14.283 -3.061 11.667 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.919 -0.814 12.949 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.381 -3.693 13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.682 -2.429 14.820 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.830 -1.127 14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.512 -2.508 13.724 1.00 0.00 H new ATOM 270 N GLN A 19 -11.320 -2.687 11.125 1.00 0.00 N ATOM 271 CA GLN A 19 -10.015 -3.128 10.650 1.00 0.00 C ATOM 272 C GLN A 19 -9.569 -2.308 9.444 1.00 0.00 C ATOM 273 O GLN A 19 -8.430 -2.417 8.993 1.00 0.00 O ATOM 274 CB GLN A 19 -10.057 -4.613 10.283 1.00 0.00 C ATOM 275 CG GLN A 19 -9.665 -5.533 11.426 1.00 0.00 C ATOM 276 CD GLN A 19 -9.366 -6.946 10.964 1.00 0.00 C ATOM 277 OE1 GLN A 19 -9.401 -7.240 9.768 1.00 0.00 O ATOM 278 NE2 GLN A 19 -9.070 -7.829 11.909 1.00 0.00 N ATOM 0 H GLN A 19 -12.050 -2.682 10.412 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.295 -2.979 11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.063 -4.868 9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.389 -4.789 9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.788 -5.127 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.471 -5.558 12.160 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.052 -7.542 12.888 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.860 -8.795 11.657 1.00 0.00 H new ATOM 287 N MET A 20 -10.476 -1.485 8.926 1.00 0.00 N ATOM 288 CA MET A 20 -10.175 -0.644 7.772 1.00 0.00 C ATOM 289 C MET A 20 -9.897 0.792 8.204 1.00 0.00 C ATOM 290 O MET A 20 -10.067 1.145 9.372 1.00 0.00 O ATOM 291 CB MET A 20 -11.335 -0.675 6.776 1.00 0.00 C ATOM 292 CG MET A 20 -12.190 -1.929 6.876 1.00 0.00 C ATOM 293 SD MET A 20 -12.816 -2.471 5.274 1.00 0.00 S ATOM 294 CE MET A 20 -11.284 -2.744 4.387 1.00 0.00 C ATOM 0 H MET A 20 -11.425 -1.383 9.287 1.00 0.00 H new ATOM 0 HA MET A 20 -9.281 -1.038 7.289 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.966 0.199 6.939 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.937 -0.597 5.764 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.602 -2.731 7.322 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.030 -1.739 7.545 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.378 -3.634 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.070 -1.881 3.756 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.471 -2.883 5.099 1.00 0.00 H new ATOM 304 N THR A 21 -9.468 1.618 7.254 1.00 0.00 N ATOM 305 CA THR A 21 -9.166 3.015 7.538 1.00 0.00 C ATOM 306 C THR A 21 -9.715 3.928 6.447 1.00 0.00 C ATOM 307 O THR A 21 -9.453 3.725 5.262 1.00 0.00 O ATOM 308 CB THR A 21 -7.648 3.246 7.668 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.184 2.752 8.929 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.314 4.724 7.543 1.00 0.00 C ATOM 0 H THR A 21 -9.322 1.343 6.283 1.00 0.00 H new ATOM 0 HA THR A 21 -9.646 3.256 8.487 1.00 0.00 H new ATOM 0 HB THR A 21 -7.150 2.707 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.218 2.901 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.237 4.863 7.638 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.643 5.090 6.570 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.822 5.280 8.331 1.00 0.00 H new ATOM 318 N THR A 22 -10.480 4.936 6.856 1.00 0.00 N ATOM 319 CA THR A 22 -11.068 5.880 5.913 1.00 0.00 C ATOM 320 C THR A 22 -9.990 6.700 5.212 1.00 0.00 C ATOM 321 O THR A 22 -8.871 6.826 5.710 1.00 0.00 O ATOM 322 CB THR A 22 -12.049 6.838 6.615 1.00 0.00 C ATOM 323 OG1 THR A 22 -12.753 6.144 7.651 1.00 0.00 O ATOM 324 CG2 THR A 22 -13.043 7.419 5.621 1.00 0.00 C ATOM 0 H THR A 22 -10.707 5.119 7.833 1.00 0.00 H new ATOM 0 HA THR A 22 -11.612 5.291 5.174 1.00 0.00 H new ATOM 0 HB THR A 22 -11.475 7.656 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.374 6.760 8.094 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.725 8.092 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.506 7.971 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.611 6.611 5.160 1.00 0.00 H new ATOM 332 N ILE A 23 -10.334 7.255 4.055 1.00 0.00 N ATOM 333 CA ILE A 23 -9.396 8.064 3.287 1.00 0.00 C ATOM 334 C ILE A 23 -9.351 9.496 3.808 1.00 0.00 C ATOM 335 O ILE A 23 -8.325 10.169 3.714 1.00 0.00 O ATOM 336 CB ILE A 23 -9.763 8.084 1.792 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.462 6.726 1.152 1.00 0.00 C ATOM 338 CG2 ILE A 23 -9.006 9.192 1.076 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.048 6.247 1.388 1.00 0.00 C ATOM 0 H ILE A 23 -11.256 7.159 3.629 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.414 7.606 3.405 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.831 8.280 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.158 5.986 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.640 6.792 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.276 9.193 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.265 10.154 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.934 9.024 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.906 5.279 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.345 6.967 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.871 6.148 2.459 1.00 0.00 H new ATOM 351 N ALA A 24 -10.470 9.955 4.358 1.00 0.00 N ATOM 352 CA ALA A 24 -10.558 11.307 4.897 1.00 0.00 C ATOM 353 C ALA A 24 -10.768 12.329 3.784 1.00 0.00 C ATOM 354 O ALA A 24 -10.546 13.524 3.979 1.00 0.00 O ATOM 355 CB ALA A 24 -9.304 11.640 5.692 1.00 0.00 C ATOM 0 H ALA A 24 -11.328 9.411 4.442 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.420 11.351 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.383 12.652 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.198 10.934 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.432 11.572 5.041 1.00 0.00 H new ATOM 361 N GLN A 25 -11.196 11.851 2.621 1.00 0.00 N ATOM 362 CA GLN A 25 -11.434 12.724 1.478 1.00 0.00 C ATOM 363 C GLN A 25 -12.512 12.147 0.566 1.00 0.00 C ATOM 364 O GLN A 25 -13.607 12.699 0.455 1.00 0.00 O ATOM 365 CB GLN A 25 -10.140 12.932 0.689 1.00 0.00 C ATOM 366 CG GLN A 25 -9.427 14.233 1.020 1.00 0.00 C ATOM 367 CD GLN A 25 -8.644 14.156 2.316 1.00 0.00 C ATOM 368 OE1 GLN A 25 -8.459 13.077 2.879 1.00 0.00 O ATOM 369 NE2 GLN A 25 -8.177 15.303 2.795 1.00 0.00 N ATOM 0 H GLN A 25 -11.385 10.864 2.445 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.780 13.686 1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.466 12.098 0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.367 12.913 -0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.750 14.489 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.160 15.037 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.354 16.174 2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.641 15.313 3.663 1.00 0.00 H new ATOM 378 N CYS A 26 -12.195 11.032 -0.084 1.00 0.00 N ATOM 379 CA CYS A 26 -13.136 10.379 -0.985 1.00 0.00 C ATOM 380 C CYS A 26 -14.128 9.519 -0.209 1.00 0.00 C ATOM 381 O CYS A 26 -15.228 9.239 -0.686 1.00 0.00 O ATOM 382 CB CYS A 26 -12.384 9.517 -2.003 1.00 0.00 C ATOM 383 SG CYS A 26 -11.299 8.260 -1.254 1.00 0.00 S ATOM 0 H CYS A 26 -11.293 10.562 -0.003 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.691 11.154 -1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.109 9.019 -2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.784 10.166 -2.640 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.844 7.086 -1.378 1.00 0.00 H new ATOM 388 N GLN A 27 -13.731 9.105 0.990 1.00 0.00 N ATOM 389 CA GLN A 27 -14.586 8.277 1.834 1.00 0.00 C ATOM 390 C GLN A 27 -14.594 6.831 1.346 1.00 0.00 C ATOM 391 O GLN A 27 -15.656 6.247 1.124 1.00 0.00 O ATOM 392 CB GLN A 27 -16.011 8.831 1.850 1.00 0.00 C ATOM 393 CG GLN A 27 -16.074 10.347 1.938 1.00 0.00 C ATOM 394 CD GLN A 27 -16.382 10.838 3.338 1.00 0.00 C ATOM 395 OE1 GLN A 27 -17.523 10.768 3.797 1.00 0.00 O ATOM 396 NE2 GLN A 27 -15.364 11.341 4.027 1.00 0.00 N ATOM 0 H GLN A 27 -12.824 9.329 1.399 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.185 8.297 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.528 8.506 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.548 8.404 2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.122 10.766 1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.837 10.716 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.435 11.380 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.512 11.688 4.975 1.00 0.00 H new ATOM 405 N CYS A 28 -13.406 6.260 1.182 1.00 0.00 N ATOM 406 CA CYS A 28 -13.276 4.883 0.721 1.00 0.00 C ATOM 407 C CYS A 28 -12.941 3.951 1.880 1.00 0.00 C ATOM 408 O CYS A 28 -12.738 4.396 3.009 1.00 0.00 O ATOM 409 CB CYS A 28 -12.195 4.785 -0.358 1.00 0.00 C ATOM 410 SG CYS A 28 -12.702 5.436 -1.981 1.00 0.00 S ATOM 0 H CYS A 28 -12.519 6.730 1.362 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.232 4.576 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.311 5.327 -0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.905 3.741 -0.472 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.809 5.123 -2.872 1.00 0.00 H new ATOM 415 N ILE A 29 -12.885 2.654 1.592 1.00 0.00 N ATOM 416 CA ILE A 29 -12.574 1.659 2.610 1.00 0.00 C ATOM 417 C ILE A 29 -11.400 0.784 2.182 1.00 0.00 C ATOM 418 O ILE A 29 -11.418 0.187 1.105 1.00 0.00 O ATOM 419 CB ILE A 29 -13.787 0.761 2.910 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.950 0.571 4.419 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.636 -0.584 2.214 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.734 1.678 5.087 1.00 0.00 C ATOM 0 H ILE A 29 -13.051 2.269 0.662 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.306 2.206 3.514 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.683 1.248 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.449 -0.380 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.963 0.508 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.502 -1.208 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.566 -0.431 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.732 -1.078 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.810 1.477 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.225 2.629 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.734 1.727 4.656 1.00 0.00 H new ATOM 434 N PHE A 30 -10.383 0.709 3.033 1.00 0.00 N ATOM 435 CA PHE A 30 -9.201 -0.094 2.744 1.00 0.00 C ATOM 436 C PHE A 30 -8.528 -0.557 4.033 1.00 0.00 C ATOM 437 O PHE A 30 -8.333 0.229 4.961 1.00 0.00 O ATOM 438 CB PHE A 30 -8.209 0.705 1.897 1.00 0.00 C ATOM 439 CG PHE A 30 -8.760 1.121 0.563 1.00 0.00 C ATOM 440 CD1 PHE A 30 -9.174 2.426 0.345 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.862 0.208 -0.474 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.680 2.812 -0.881 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.368 0.588 -1.703 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.778 1.891 -1.907 1.00 0.00 C ATOM 0 H PHE A 30 -10.353 1.195 3.929 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.520 -0.974 2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.906 1.594 2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.312 0.106 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.100 3.150 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.543 -0.812 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.999 3.832 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.443 -0.134 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.174 2.190 -2.866 1.00 0.00 H new ATOM 454 N CYS A 31 -8.178 -1.837 4.084 1.00 0.00 N ATOM 455 CA CYS A 31 -7.528 -2.407 5.259 1.00 0.00 C ATOM 456 C CYS A 31 -6.248 -1.648 5.594 1.00 0.00 C ATOM 457 O CYS A 31 -5.369 -1.485 4.747 1.00 0.00 O ATOM 458 CB CYS A 31 -7.212 -3.885 5.025 1.00 0.00 C ATOM 459 SG CYS A 31 -5.796 -4.176 3.916 1.00 0.00 S ATOM 0 H CYS A 31 -8.333 -2.500 3.325 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.213 -2.318 6.102 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.011 -4.359 5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.093 -4.372 4.607 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.089 -3.760 2.720 1.00 0.00 H new ATOM 464 N THR A 32 -6.149 -1.184 6.837 1.00 0.00 N ATOM 465 CA THR A 32 -4.978 -0.441 7.284 1.00 0.00 C ATOM 466 C THR A 32 -3.712 -0.951 6.606 1.00 0.00 C ATOM 467 O THR A 32 -3.057 -0.220 5.861 1.00 0.00 O ATOM 468 CB THR A 32 -4.803 -0.538 8.811 1.00 0.00 C ATOM 469 OG1 THR A 32 -6.080 -0.473 9.457 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.912 0.583 9.326 1.00 0.00 C ATOM 0 H THR A 32 -6.866 -1.310 7.551 1.00 0.00 H new ATOM 0 HA THR A 32 -5.140 0.601 7.009 1.00 0.00 H new ATOM 0 HB THR A 32 -4.329 -1.493 9.039 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.959 -0.537 10.427 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.803 0.494 10.407 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.931 0.514 8.855 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.363 1.546 9.085 1.00 0.00 H new ATOM 478 N LEU A 33 -3.371 -2.208 6.866 1.00 0.00 N ATOM 479 CA LEU A 33 -2.182 -2.816 6.280 1.00 0.00 C ATOM 480 C LEU A 33 -1.936 -2.284 4.872 1.00 0.00 C ATOM 481 O LEU A 33 -0.838 -1.828 4.551 1.00 0.00 O ATOM 482 CB LEU A 33 -2.329 -4.338 6.243 1.00 0.00 C ATOM 483 CG LEU A 33 -1.553 -5.114 7.309 1.00 0.00 C ATOM 484 CD1 LEU A 33 -2.313 -6.365 7.718 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.164 -5.473 6.801 1.00 0.00 C ATOM 0 H LEU A 33 -3.902 -2.827 7.479 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.326 -2.554 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.386 -4.583 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.010 -4.690 5.262 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.444 -4.478 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.745 -6.904 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.285 -6.084 8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.454 -7.006 6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.374 -6.025 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.252 -6.091 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.382 -4.561 6.559 1.00 0.00 H new ATOM 497 N CYS A 34 -2.967 -2.342 4.035 1.00 0.00 N ATOM 498 CA CYS A 34 -2.865 -1.864 2.661 1.00 0.00 C ATOM 499 C CYS A 34 -2.634 -0.356 2.626 1.00 0.00 C ATOM 500 O CYS A 34 -1.607 0.115 2.134 1.00 0.00 O ATOM 501 CB CYS A 34 -4.134 -2.215 1.881 1.00 0.00 C ATOM 502 SG CYS A 34 -4.140 -3.901 1.193 1.00 0.00 S ATOM 0 H CYS A 34 -3.883 -2.715 4.284 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.012 -2.356 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.996 -2.099 2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.256 -1.501 1.066 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.701 -4.713 2.039 1.00 0.00 H new ATOM 507 N LEU A 35 -3.595 0.397 3.151 1.00 0.00 N ATOM 508 CA LEU A 35 -3.497 1.852 3.180 1.00 0.00 C ATOM 509 C LEU A 35 -2.238 2.299 3.915 1.00 0.00 C ATOM 510 O LEU A 35 -1.854 3.467 3.859 1.00 0.00 O ATOM 511 CB LEU A 35 -4.734 2.452 3.850 1.00 0.00 C ATOM 512 CG LEU A 35 -5.182 3.820 3.331 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.845 3.682 1.970 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.127 4.483 4.322 1.00 0.00 C ATOM 0 H LEU A 35 -4.451 0.024 3.562 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.439 2.209 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.562 1.752 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.538 2.538 4.919 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.301 4.453 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.157 4.665 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.137 3.250 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.716 3.033 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.435 5.455 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.006 3.854 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.618 4.616 5.277 1.00 0.00 H new ATOM 526 N LYS A 36 -1.597 1.359 4.605 1.00 0.00 N ATOM 527 CA LYS A 36 -0.379 1.654 5.349 1.00 0.00 C ATOM 528 C LYS A 36 0.857 1.401 4.492 1.00 0.00 C ATOM 529 O LYS A 36 1.579 2.334 4.139 1.00 0.00 O ATOM 530 CB LYS A 36 -0.314 0.802 6.619 1.00 0.00 C ATOM 531 CG LYS A 36 1.047 0.816 7.292 1.00 0.00 C ATOM 532 CD LYS A 36 1.730 -0.538 7.195 1.00 0.00 C ATOM 533 CE LYS A 36 2.823 -0.687 8.243 1.00 0.00 C ATOM 534 NZ LYS A 36 2.993 -2.103 8.669 1.00 0.00 N ATOM 0 H LYS A 36 -1.902 0.387 4.663 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.399 2.708 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.063 1.160 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.576 -0.226 6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.676 1.576 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.933 1.093 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.991 -1.329 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.159 -0.660 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.765 -0.313 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.580 -0.073 9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.747 -2.163 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.102 -2.453 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.250 -2.685 7.846 1.00 0.00 H new ATOM 548 N GLN A 37 1.093 0.137 4.160 1.00 0.00 N ATOM 549 CA GLN A 37 2.241 -0.237 3.343 1.00 0.00 C ATOM 550 C GLN A 37 2.393 0.705 2.153 1.00 0.00 C ATOM 551 O GLN A 37 3.474 0.825 1.577 1.00 0.00 O ATOM 552 CB GLN A 37 2.099 -1.679 2.853 1.00 0.00 C ATOM 553 CG GLN A 37 3.314 -2.543 3.144 1.00 0.00 C ATOM 554 CD GLN A 37 3.272 -3.873 2.416 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.829 -4.016 1.327 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.609 -4.855 3.015 1.00 0.00 N ATOM 0 H GLN A 37 0.504 -0.646 4.444 1.00 0.00 H new ATOM 0 HA GLN A 37 3.135 -0.158 3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.223 -2.128 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.917 -1.672 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.216 -2.004 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.379 -2.722 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.162 -4.692 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.546 -5.772 2.573 1.00 0.00 H new ATOM 565 N TYR A 38 1.302 1.370 1.789 1.00 0.00 N ATOM 566 CA TYR A 38 1.312 2.299 0.666 1.00 0.00 C ATOM 567 C TYR A 38 1.753 3.690 1.113 1.00 0.00 C ATOM 568 O TYR A 38 2.812 4.176 0.715 1.00 0.00 O ATOM 569 CB TYR A 38 -0.075 2.373 0.025 1.00 0.00 C ATOM 570 CG TYR A 38 -0.427 3.747 -0.500 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.527 4.439 -0.008 1.00 0.00 C ATOM 572 CD2 TYR A 38 0.339 4.352 -1.489 1.00 0.00 C ATOM 573 CE1 TYR A 38 -1.852 5.694 -0.484 1.00 0.00 C ATOM 574 CE2 TYR A 38 0.021 5.607 -1.970 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.075 6.274 -1.466 1.00 0.00 C ATOM 576 OH TYR A 38 -1.395 7.524 -1.943 1.00 0.00 O ATOM 0 H TYR A 38 0.399 1.283 2.256 1.00 0.00 H new ATOM 0 HA TYR A 38 2.026 1.930 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.126 1.656 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.822 2.071 0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.138 3.988 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.197 3.832 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.710 6.219 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.628 6.064 -2.738 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.152 7.454 -2.561 1.00 0.00 H new ATOM 586 N VAL A 39 0.932 4.325 1.945 1.00 0.00 N ATOM 587 CA VAL A 39 1.237 5.659 2.448 1.00 0.00 C ATOM 588 C VAL A 39 2.532 5.660 3.254 1.00 0.00 C ATOM 589 O VAL A 39 3.411 6.492 3.032 1.00 0.00 O ATOM 590 CB VAL A 39 0.096 6.200 3.329 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.236 6.092 2.604 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.051 5.457 4.657 1.00 0.00 C ATOM 0 H VAL A 39 0.052 3.937 2.284 1.00 0.00 H new ATOM 0 HA VAL A 39 1.353 6.307 1.579 1.00 0.00 H new ATOM 0 HB VAL A 39 0.286 7.254 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.030 6.479 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.196 6.672 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.438 5.047 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.761 5.852 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.115 4.395 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.997 5.591 5.181 1.00 0.00 H new ATOM 602 N GLU A 40 2.640 4.722 4.190 1.00 0.00 N ATOM 603 CA GLU A 40 3.827 4.615 5.029 1.00 0.00 C ATOM 604 C GLU A 40 5.094 4.850 4.211 1.00 0.00 C ATOM 605 O GLU A 40 6.075 5.404 4.709 1.00 0.00 O ATOM 606 CB GLU A 40 3.885 3.240 5.698 1.00 0.00 C ATOM 607 CG GLU A 40 4.573 3.250 7.052 1.00 0.00 C ATOM 608 CD GLU A 40 6.015 2.784 6.977 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.654 3.000 5.926 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.504 2.205 7.970 1.00 0.00 O ATOM 0 H GLU A 40 1.920 4.026 4.386 1.00 0.00 H new ATOM 0 HA GLU A 40 3.766 5.383 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.870 2.861 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.408 2.547 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.542 4.259 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.023 2.608 7.740 1.00 0.00 H new ATOM 617 N LEU A 41 5.067 4.423 2.954 1.00 0.00 N ATOM 618 CA LEU A 41 6.213 4.586 2.066 1.00 0.00 C ATOM 619 C LEU A 41 6.321 6.025 1.575 1.00 0.00 C ATOM 620 O LEU A 41 7.422 6.556 1.413 1.00 0.00 O ATOM 621 CB LEU A 41 6.096 3.635 0.872 1.00 0.00 C ATOM 622 CG LEU A 41 6.636 2.220 1.086 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.146 2.245 1.264 1.00 0.00 C ATOM 624 CD2 LEU A 41 5.966 1.570 2.288 1.00 0.00 C ATOM 0 H LEU A 41 4.264 3.961 2.526 1.00 0.00 H new ATOM 0 HA LEU A 41 7.115 4.345 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.045 3.563 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.621 4.079 0.026 1.00 0.00 H new ATOM 0 HG LEU A 41 6.406 1.627 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.511 1.229 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.610 2.669 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.400 2.855 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.362 0.564 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.165 2.163 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.890 1.517 2.120 1.00 0.00 H new ATOM 636 N LEU A 42 5.175 6.654 1.341 1.00 0.00 N ATOM 637 CA LEU A 42 5.141 8.034 0.871 1.00 0.00 C ATOM 638 C LEU A 42 5.160 9.009 2.042 1.00 0.00 C ATOM 639 O LEU A 42 6.091 9.801 2.189 1.00 0.00 O ATOM 640 CB LEU A 42 3.896 8.271 0.014 1.00 0.00 C ATOM 641 CG LEU A 42 3.873 7.574 -1.345 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.442 7.316 -1.790 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.614 8.405 -2.384 1.00 0.00 C ATOM 0 H LEU A 42 4.256 6.230 1.469 1.00 0.00 H new ATOM 0 HA LEU A 42 6.030 8.207 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.023 7.947 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.791 9.344 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 42 4.380 6.614 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.447 6.819 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.943 6.680 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.910 8.264 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.587 7.893 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.136 9.380 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.650 8.538 -2.072 1.00 0.00 H new ATOM 655 N ILE A 43 4.126 8.945 2.876 1.00 0.00 N ATOM 656 CA ILE A 43 4.026 9.820 4.037 1.00 0.00 C ATOM 657 C ILE A 43 5.389 10.021 4.693 1.00 0.00 C ATOM 658 O ILE A 43 5.632 11.037 5.345 1.00 0.00 O ATOM 659 CB ILE A 43 3.045 9.258 5.083 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.818 10.164 5.200 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.733 9.112 6.431 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.853 10.028 4.043 1.00 0.00 C ATOM 0 H ILE A 43 3.346 8.296 2.768 1.00 0.00 H new ATOM 0 HA ILE A 43 3.652 10.779 3.678 1.00 0.00 H new ATOM 0 HB ILE A 43 2.716 8.271 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.294 9.935 6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.147 11.201 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.026 8.714 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.579 8.431 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.088 10.087 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.008 10.700 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.361 10.286 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.494 9.000 3.987 1.00 0.00 H new ATOM 674 N LYS A 44 6.275 9.048 4.513 1.00 0.00 N ATOM 675 CA LYS A 44 7.615 9.119 5.084 1.00 0.00 C ATOM 676 C LYS A 44 8.533 9.972 4.214 1.00 0.00 C ATOM 677 O LYS A 44 9.036 11.006 4.655 1.00 0.00 O ATOM 678 CB LYS A 44 8.201 7.713 5.236 1.00 0.00 C ATOM 679 CG LYS A 44 8.310 7.253 6.679 1.00 0.00 C ATOM 680 CD LYS A 44 6.988 7.401 7.413 1.00 0.00 C ATOM 681 CE LYS A 44 6.193 6.106 7.396 1.00 0.00 C ATOM 682 NZ LYS A 44 5.768 5.696 8.764 1.00 0.00 N ATOM 0 H LYS A 44 6.090 8.201 3.976 1.00 0.00 H new ATOM 0 HA LYS A 44 7.540 9.584 6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.579 7.008 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.191 7.690 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.628 6.211 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.078 7.834 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.175 7.701 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.401 8.195 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.313 6.229 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.797 5.315 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.960 4.683 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.297 6.245 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.750 5.873 8.879 1.00 0.00 H new ATOM 696 N GLU A 45 8.745 9.533 2.977 1.00 0.00 N ATOM 697 CA GLU A 45 9.601 10.259 2.047 1.00 0.00 C ATOM 698 C GLU A 45 9.472 11.766 2.251 1.00 0.00 C ATOM 699 O GLU A 45 10.444 12.444 2.583 1.00 0.00 O ATOM 700 CB GLU A 45 9.246 9.897 0.603 1.00 0.00 C ATOM 701 CG GLU A 45 10.219 8.920 -0.036 1.00 0.00 C ATOM 702 CD GLU A 45 9.517 7.775 -0.740 1.00 0.00 C ATOM 703 OE1 GLU A 45 8.637 8.047 -1.583 1.00 0.00 O ATOM 704 OE2 GLU A 45 9.848 6.607 -0.447 1.00 0.00 O ATOM 0 H GLU A 45 8.336 8.679 2.597 1.00 0.00 H new ATOM 0 HA GLU A 45 10.634 9.970 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.245 9.467 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.215 10.808 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.845 9.452 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.882 8.519 0.731 1.00 0.00 H new ATOM 711 N GLY A 46 8.265 12.284 2.047 1.00 0.00 N ATOM 712 CA GLY A 46 8.031 13.707 2.212 1.00 0.00 C ATOM 713 C GLY A 46 8.632 14.528 1.089 1.00 0.00 C ATOM 714 O GLY A 46 9.439 15.425 1.329 1.00 0.00 O ATOM 0 H GLY A 46 7.445 11.744 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.958 13.892 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.453 14.034 3.162 1.00 0.00 H new ATOM 718 N LEU A 47 8.239 14.220 -0.141 1.00 0.00 N ATOM 719 CA LEU A 47 8.744 14.935 -1.308 1.00 0.00 C ATOM 720 C LEU A 47 7.606 15.328 -2.243 1.00 0.00 C ATOM 721 O LEU A 47 7.550 16.458 -2.727 1.00 0.00 O ATOM 722 CB LEU A 47 9.761 14.071 -2.059 1.00 0.00 C ATOM 723 CG LEU A 47 9.184 13.105 -3.095 1.00 0.00 C ATOM 724 CD1 LEU A 47 10.277 12.617 -4.035 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.505 11.930 -2.409 1.00 0.00 C ATOM 0 H LEU A 47 7.572 13.479 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 47 9.234 15.845 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.468 14.731 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.327 13.493 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 47 8.436 13.637 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.849 11.931 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.719 13.469 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.047 12.102 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.101 11.253 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.232 11.397 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.695 12.296 -1.777 1.00 0.00 H new ATOM 737 N GLU A 48 6.698 14.388 -2.490 1.00 0.00 N ATOM 738 CA GLU A 48 5.559 14.638 -3.366 1.00 0.00 C ATOM 739 C GLU A 48 4.582 13.467 -3.334 1.00 0.00 C ATOM 740 O GLU A 48 4.459 12.771 -2.325 1.00 0.00 O ATOM 741 CB GLU A 48 6.033 14.882 -4.799 1.00 0.00 C ATOM 742 CG GLU A 48 6.493 13.621 -5.511 1.00 0.00 C ATOM 743 CD GLU A 48 6.018 13.557 -6.950 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.260 14.528 -7.697 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.407 12.537 -7.329 1.00 0.00 O ATOM 0 H GLU A 48 6.729 13.448 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 48 5.044 15.529 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.222 15.335 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.853 15.600 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.582 13.573 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.124 12.749 -4.971 1.00 0.00 H new ATOM 752 N THR A 49 3.886 13.254 -4.447 1.00 0.00 N ATOM 753 CA THR A 49 2.917 12.170 -4.547 1.00 0.00 C ATOM 754 C THR A 49 1.571 12.578 -3.959 1.00 0.00 C ATOM 755 O THR A 49 0.519 12.186 -4.463 1.00 0.00 O ATOM 756 CB THR A 49 3.416 10.903 -3.827 1.00 0.00 C ATOM 757 OG1 THR A 49 4.825 10.746 -4.030 1.00 0.00 O ATOM 758 CG2 THR A 49 2.686 9.669 -4.335 1.00 0.00 C ATOM 0 H THR A 49 3.976 13.818 -5.292 1.00 0.00 H new ATOM 0 HA THR A 49 2.795 11.953 -5.608 1.00 0.00 H new ATOM 0 HB THR A 49 3.213 11.014 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.993 9.924 -4.536 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.055 8.787 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.617 9.778 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.862 9.557 -5.405 1.00 0.00 H new ATOM 766 N ALA A 50 1.613 13.368 -2.890 1.00 0.00 N ATOM 767 CA ALA A 50 0.395 13.830 -2.236 1.00 0.00 C ATOM 768 C ALA A 50 -0.445 12.657 -1.745 1.00 0.00 C ATOM 769 O ALA A 50 -1.594 12.832 -1.338 1.00 0.00 O ATOM 770 CB ALA A 50 -0.415 14.703 -3.184 1.00 0.00 C ATOM 0 H ALA A 50 2.476 13.701 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 50 0.682 14.424 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.322 15.041 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.179 15.567 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.683 14.127 -4.069 1.00 0.00 H new ATOM 776 N ILE A 51 0.134 11.461 -1.788 1.00 0.00 N ATOM 777 CA ILE A 51 -0.562 10.260 -1.347 1.00 0.00 C ATOM 778 C ILE A 51 -2.036 10.303 -1.739 1.00 0.00 C ATOM 779 O ILE A 51 -2.876 10.783 -0.979 1.00 0.00 O ATOM 780 CB ILE A 51 -0.453 10.073 0.177 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.003 9.841 0.582 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.326 8.913 0.632 1.00 0.00 C ATOM 783 CD1 ILE A 51 1.946 10.921 0.096 1.00 0.00 C ATOM 0 H ILE A 51 1.083 11.299 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.081 9.417 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.806 10.981 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.064 9.779 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.332 8.879 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.238 8.793 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.365 9.116 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.001 7.997 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.961 10.691 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.915 10.969 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.642 11.882 0.510 1.00 0.00 H new ATOM 795 N SER A 52 -2.341 9.798 -2.929 1.00 0.00 N ATOM 796 CA SER A 52 -3.712 9.780 -3.424 1.00 0.00 C ATOM 797 C SER A 52 -4.358 8.418 -3.187 1.00 0.00 C ATOM 798 O SER A 52 -3.669 7.406 -3.051 1.00 0.00 O ATOM 799 CB SER A 52 -3.744 10.119 -4.915 1.00 0.00 C ATOM 800 OG SER A 52 -2.505 10.660 -5.342 1.00 0.00 O ATOM 0 H SER A 52 -1.657 9.395 -3.569 1.00 0.00 H new ATOM 0 HA SER A 52 -4.279 10.532 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.970 9.221 -5.490 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.543 10.833 -5.112 1.00 0.00 H new ATOM 0 HG SER A 52 -2.551 10.867 -6.299 1.00 0.00 H new ATOM 806 N CYS A 53 -5.686 8.401 -3.137 1.00 0.00 N ATOM 807 CA CYS A 53 -6.427 7.165 -2.917 1.00 0.00 C ATOM 808 C CYS A 53 -5.767 5.997 -3.645 1.00 0.00 C ATOM 809 O CYS A 53 -5.363 6.104 -4.802 1.00 0.00 O ATOM 810 CB CYS A 53 -7.875 7.322 -3.388 1.00 0.00 C ATOM 811 SG CYS A 53 -8.899 5.833 -3.155 1.00 0.00 S ATOM 0 H CYS A 53 -6.271 9.230 -3.246 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.421 6.953 -1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.333 8.152 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.875 7.588 -4.445 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.988 6.150 -2.520 1.00 0.00 H new ATOM 816 N PRO A 54 -5.657 4.854 -2.952 1.00 0.00 N ATOM 817 CA PRO A 54 -5.048 3.644 -3.513 1.00 0.00 C ATOM 818 C PRO A 54 -5.909 3.014 -4.603 1.00 0.00 C ATOM 819 O PRO A 54 -5.571 1.961 -5.142 1.00 0.00 O ATOM 820 CB PRO A 54 -4.943 2.708 -2.306 1.00 0.00 C ATOM 821 CG PRO A 54 -6.013 3.167 -1.376 1.00 0.00 C ATOM 822 CD PRO A 54 -6.118 4.655 -1.568 1.00 0.00 C ATOM 0 HA PRO A 54 -4.091 3.853 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.091 1.668 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.960 2.772 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.961 2.677 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.763 2.923 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.141 5.007 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.496 5.197 -0.856 1.00 0.00 H new ATOM 830 N ASP A 55 -7.020 3.667 -4.922 1.00 0.00 N ATOM 831 CA ASP A 55 -7.929 3.170 -5.950 1.00 0.00 C ATOM 832 C ASP A 55 -7.910 4.078 -7.176 1.00 0.00 C ATOM 833 O ASP A 55 -7.913 5.303 -7.054 1.00 0.00 O ATOM 834 CB ASP A 55 -9.351 3.068 -5.398 1.00 0.00 C ATOM 835 CG ASP A 55 -9.965 1.701 -5.628 1.00 0.00 C ATOM 836 OD1 ASP A 55 -9.208 0.709 -5.665 1.00 0.00 O ATOM 837 OD2 ASP A 55 -11.203 1.624 -5.771 1.00 0.00 O ATOM 0 H ASP A 55 -7.314 4.541 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.592 2.177 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.339 3.282 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.976 3.827 -5.869 1.00 0.00 H new ATOM 842 N ALA A 56 -7.892 3.469 -8.357 1.00 0.00 N ATOM 843 CA ALA A 56 -7.874 4.222 -9.605 1.00 0.00 C ATOM 844 C ALA A 56 -9.285 4.607 -10.034 1.00 0.00 C ATOM 845 O ALA A 56 -9.494 5.651 -10.651 1.00 0.00 O ATOM 846 CB ALA A 56 -7.189 3.415 -10.699 1.00 0.00 C ATOM 0 H ALA A 56 -7.889 2.456 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.310 5.140 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.183 3.990 -11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.164 3.195 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.729 2.481 -10.855 1.00 0.00 H new ATOM 852 N ALA A 57 -10.252 3.756 -9.704 1.00 0.00 N ATOM 853 CA ALA A 57 -11.644 4.008 -10.054 1.00 0.00 C ATOM 854 C ALA A 57 -12.193 5.210 -9.291 1.00 0.00 C ATOM 855 O ALA A 57 -13.048 5.939 -9.794 1.00 0.00 O ATOM 856 CB ALA A 57 -12.490 2.774 -9.779 1.00 0.00 C ATOM 0 H ALA A 57 -10.096 2.886 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.689 4.235 -11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.527 2.977 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.120 1.939 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.430 2.520 -8.721 1.00 0.00 H new ATOM 862 N CYS A 58 -11.698 5.408 -8.074 1.00 0.00 N ATOM 863 CA CYS A 58 -12.139 6.519 -7.241 1.00 0.00 C ATOM 864 C CYS A 58 -12.502 7.730 -8.096 1.00 0.00 C ATOM 865 O CYS A 58 -11.647 8.528 -8.482 1.00 0.00 O ATOM 866 CB CYS A 58 -11.047 6.898 -6.238 1.00 0.00 C ATOM 867 SG CYS A 58 -11.623 7.967 -4.880 1.00 0.00 S ATOM 0 H CYS A 58 -10.991 4.813 -7.643 1.00 0.00 H new ATOM 0 HA CYS A 58 -13.028 6.201 -6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.625 5.986 -5.815 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.241 7.405 -6.769 1.00 0.00 H new ATOM 0 HG CYS A 58 -11.126 7.545 -3.755 1.00 0.00 H new ATOM 872 N PRO A 59 -13.801 7.873 -8.400 1.00 0.00 N ATOM 873 CA PRO A 59 -14.306 8.984 -9.211 1.00 0.00 C ATOM 874 C PRO A 59 -14.230 10.319 -8.478 1.00 0.00 C ATOM 875 O PRO A 59 -14.654 11.351 -8.999 1.00 0.00 O ATOM 876 CB PRO A 59 -15.765 8.599 -9.470 1.00 0.00 C ATOM 877 CG PRO A 59 -16.129 7.709 -8.333 1.00 0.00 C ATOM 878 CD PRO A 59 -14.875 6.962 -7.973 1.00 0.00 C ATOM 0 HA PRO A 59 -13.720 9.125 -10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.407 9.479 -9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.876 8.086 -10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.495 8.289 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.925 7.021 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.824 6.754 -6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.817 6.003 -8.488 1.00 0.00 H new ATOM 886 N LYS A 60 -13.687 10.293 -7.266 1.00 0.00 N ATOM 887 CA LYS A 60 -13.553 11.501 -6.460 1.00 0.00 C ATOM 888 C LYS A 60 -12.097 11.953 -6.394 1.00 0.00 C ATOM 889 O LYS A 60 -11.807 13.147 -6.432 1.00 0.00 O ATOM 890 CB LYS A 60 -14.088 11.259 -5.047 1.00 0.00 C ATOM 891 CG LYS A 60 -13.623 12.291 -4.035 1.00 0.00 C ATOM 892 CD LYS A 60 -14.796 12.932 -3.314 1.00 0.00 C ATOM 893 CE LYS A 60 -15.737 11.885 -2.739 1.00 0.00 C ATOM 894 NZ LYS A 60 -17.146 12.112 -3.162 1.00 0.00 N ATOM 0 H LYS A 60 -13.332 9.447 -6.819 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.139 12.289 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.178 11.256 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.775 10.269 -4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.963 11.818 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.041 13.061 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.426 13.570 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.343 13.573 -4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.417 10.894 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.678 11.902 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.755 11.377 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.461 13.047 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.208 12.070 -4.199 1.00 0.00 H new ATOM 908 N GLN A 61 -11.187 10.988 -6.296 1.00 0.00 N ATOM 909 CA GLN A 61 -9.762 11.288 -6.225 1.00 0.00 C ATOM 910 C GLN A 61 -9.415 11.977 -4.910 1.00 0.00 C ATOM 911 O GLN A 61 -8.780 13.030 -4.898 1.00 0.00 O ATOM 912 CB GLN A 61 -9.347 12.172 -7.403 1.00 0.00 C ATOM 913 CG GLN A 61 -10.065 11.836 -8.700 1.00 0.00 C ATOM 914 CD GLN A 61 -9.312 12.317 -9.925 1.00 0.00 C ATOM 915 OE1 GLN A 61 -9.379 11.703 -10.990 1.00 0.00 O ATOM 916 NE2 GLN A 61 -8.590 13.422 -9.781 1.00 0.00 N ATOM 0 H GLN A 61 -11.411 9.993 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.215 10.346 -6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.541 13.214 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.272 12.076 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.205 10.757 -8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.058 12.286 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.563 13.900 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.063 13.793 -10.571 1.00 0.00 H new ATOM 925 N GLY A 62 -9.837 11.374 -3.802 1.00 0.00 N ATOM 926 CA GLY A 62 -9.562 11.944 -2.497 1.00 0.00 C ATOM 927 C GLY A 62 -8.137 11.696 -2.044 1.00 0.00 C ATOM 928 O GLY A 62 -7.717 10.548 -1.892 1.00 0.00 O ATOM 0 H GLY A 62 -10.364 10.501 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.749 13.017 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.251 11.520 -1.766 1.00 0.00 H new ATOM 932 N HIS A 63 -7.389 12.773 -1.831 1.00 0.00 N ATOM 933 CA HIS A 63 -6.001 12.667 -1.394 1.00 0.00 C ATOM 934 C HIS A 63 -5.921 12.476 0.118 1.00 0.00 C ATOM 935 O HIS A 63 -6.906 12.665 0.831 1.00 0.00 O ATOM 936 CB HIS A 63 -5.218 13.914 -1.805 1.00 0.00 C ATOM 937 CG HIS A 63 -4.971 14.007 -3.280 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.946 14.371 -4.185 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.851 13.782 -4.006 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.436 14.366 -5.403 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.166 14.012 -5.322 1.00 0.00 N ATOM 0 H HIS A 63 -7.720 13.730 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.559 11.795 -1.877 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.764 14.800 -1.480 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.261 13.920 -1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.889 13.478 -3.621 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.967 14.610 -6.311 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.524 13.924 -6.109 1.00 0.00 H new ATOM 949 N LEU A 64 -4.741 12.100 0.599 1.00 0.00 N ATOM 950 CA LEU A 64 -4.531 11.882 2.026 1.00 0.00 C ATOM 951 C LEU A 64 -3.562 12.912 2.596 1.00 0.00 C ATOM 952 O LEU A 64 -2.798 13.533 1.859 1.00 0.00 O ATOM 953 CB LEU A 64 -3.998 10.470 2.273 1.00 0.00 C ATOM 954 CG LEU A 64 -4.973 9.326 1.998 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.239 8.124 1.422 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.717 8.940 3.269 1.00 0.00 C ATOM 0 H LEU A 64 -3.915 11.940 0.022 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.490 11.994 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.114 10.324 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.674 10.402 3.311 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.703 9.666 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.950 7.320 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.754 8.407 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.486 7.783 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.407 8.124 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.002 8.620 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.276 9.800 3.638 1.00 0.00 H new ATOM 968 N GLN A 65 -3.597 13.084 3.914 1.00 0.00 N ATOM 969 CA GLN A 65 -2.720 14.036 4.583 1.00 0.00 C ATOM 970 C GLN A 65 -1.353 13.418 4.859 1.00 0.00 C ATOM 971 O GLN A 65 -1.177 12.205 4.749 1.00 0.00 O ATOM 972 CB GLN A 65 -3.352 14.511 5.893 1.00 0.00 C ATOM 973 CG GLN A 65 -4.824 14.154 6.023 1.00 0.00 C ATOM 974 CD GLN A 65 -5.040 12.744 6.538 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.096 12.425 7.082 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.037 11.891 6.366 1.00 0.00 N ATOM 0 H GLN A 65 -4.223 12.576 4.539 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.584 14.892 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.806 14.075 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.241 15.593 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.307 14.861 6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.307 14.260 5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.178 12.199 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.125 10.928 6.691 1.00 0.00 H new ATOM 985 N GLU A 66 -0.389 14.261 5.218 1.00 0.00 N ATOM 986 CA GLU A 66 0.962 13.796 5.508 1.00 0.00 C ATOM 987 C GLU A 66 1.123 13.483 6.992 1.00 0.00 C ATOM 988 O GLU A 66 1.862 12.575 7.370 1.00 0.00 O ATOM 989 CB GLU A 66 1.989 14.847 5.082 1.00 0.00 C ATOM 990 CG GLU A 66 2.641 14.554 3.741 1.00 0.00 C ATOM 991 CD GLU A 66 2.771 15.791 2.874 1.00 0.00 C ATOM 992 OE1 GLU A 66 2.491 15.696 1.661 1.00 0.00 O ATOM 993 OE2 GLU A 66 3.155 16.852 3.407 1.00 0.00 O ATOM 0 H GLU A 66 -0.519 15.268 5.315 1.00 0.00 H new ATOM 0 HA GLU A 66 1.133 12.881 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.501 15.821 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.764 14.916 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.629 14.126 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.054 13.804 3.212 1.00 0.00 H new ATOM 1000 N ASN A 67 0.425 14.243 7.830 1.00 0.00 N ATOM 1001 CA ASN A 67 0.491 14.050 9.274 1.00 0.00 C ATOM 1002 C ASN A 67 -0.576 13.062 9.740 1.00 0.00 C ATOM 1003 O ASN A 67 -0.261 12.006 10.285 1.00 0.00 O ATOM 1004 CB ASN A 67 0.315 15.386 9.999 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.181 15.212 11.421 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.610 15.047 12.350 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.496 15.249 11.597 1.00 0.00 N ATOM 0 H ASN A 67 -0.193 14.998 7.534 1.00 0.00 H new ATOM 0 HA ASN A 67 1.472 13.641 9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.267 15.917 10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.389 16.007 9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.889 15.138 12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.114 15.388 10.797 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.838 13.416 9.518 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.952 12.562 9.915 1.00 0.00 C ATOM 1016 C GLU A 68 -2.653 11.099 9.599 1.00 0.00 C ATOM 1017 O GLU A 68 -3.015 10.202 10.361 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.236 12.997 9.207 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.235 13.682 10.125 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.123 12.695 10.858 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -7.362 12.841 10.779 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -5.582 11.778 11.510 1.00 0.00 O ATOM 0 H GLU A 68 -2.115 14.287 9.066 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.089 12.663 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.980 13.674 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.708 12.123 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.697 14.291 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.857 14.359 9.539 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.993 10.867 8.469 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.648 9.514 8.052 1.00 0.00 C ATOM 1031 C ILE A 69 -0.495 8.960 8.883 1.00 0.00 C ATOM 1032 O ILE A 69 -0.646 7.954 9.576 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.258 9.466 6.562 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.511 9.489 5.685 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.423 8.228 6.272 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.448 8.531 4.516 1.00 0.00 C ATOM 0 H ILE A 69 -1.687 11.598 7.827 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.535 8.900 8.208 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.658 10.346 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.378 9.245 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.662 10.500 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.156 8.209 5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.484 8.252 6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.999 7.335 6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.370 8.601 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.601 8.788 3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.328 7.513 4.886 1.00 0.00 H new ATOM 1048 N GLU A 70 0.653 9.625 8.811 1.00 0.00 N ATOM 1049 CA GLU A 70 1.830 9.199 9.559 1.00 0.00 C ATOM 1050 C GLU A 70 1.485 8.959 11.026 1.00 0.00 C ATOM 1051 O GLU A 70 2.225 8.289 11.749 1.00 0.00 O ATOM 1052 CB GLU A 70 2.939 10.247 9.450 1.00 0.00 C ATOM 1053 CG GLU A 70 2.859 11.330 10.514 1.00 0.00 C ATOM 1054 CD GLU A 70 4.007 12.318 10.426 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.901 12.115 9.578 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.011 13.293 11.206 1.00 0.00 O ATOM 0 H GLU A 70 0.793 10.460 8.243 1.00 0.00 H new ATOM 0 HA GLU A 70 2.182 8.262 9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.906 9.749 9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.892 10.712 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.915 11.865 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.858 10.866 11.500 1.00 0.00 H new ATOM 1063 N CYS A 71 0.357 9.509 11.460 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.086 9.358 12.842 1.00 0.00 C ATOM 1065 C CYS A 71 -0.695 7.978 13.068 1.00 0.00 C ATOM 1066 O CYS A 71 -0.573 7.405 14.151 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.106 10.442 13.194 1.00 0.00 C ATOM 1068 SG CYS A 71 -0.879 11.162 14.837 1.00 0.00 S ATOM 0 H CYS A 71 -0.268 10.064 10.875 1.00 0.00 H new ATOM 0 HA CYS A 71 0.784 9.464 13.491 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.048 11.236 12.450 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.108 10.018 13.130 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.787 12.070 15.042 1.00 0.00 H new ATOM 1074 N MET A 72 -1.353 7.451 12.040 1.00 0.00 N ATOM 1075 CA MET A 72 -1.982 6.138 12.128 1.00 0.00 C ATOM 1076 C MET A 72 -0.954 5.029 11.921 1.00 0.00 C ATOM 1077 O MET A 72 -1.304 3.850 11.857 1.00 0.00 O ATOM 1078 CB MET A 72 -3.100 6.014 11.091 1.00 0.00 C ATOM 1079 CG MET A 72 -2.613 5.559 9.725 1.00 0.00 C ATOM 1080 SD MET A 72 -3.449 6.407 8.372 1.00 0.00 S ATOM 1081 CE MET A 72 -3.062 5.322 7.001 1.00 0.00 C ATOM 0 H MET A 72 -1.464 7.913 11.137 1.00 0.00 H new ATOM 0 HA MET A 72 -2.409 6.032 13.125 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.846 5.308 11.456 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.597 6.978 10.988 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.540 5.733 9.650 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.769 4.485 9.627 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.306 5.820 6.063 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.999 5.080 7.018 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.645 4.405 7.087 1.00 0.00 H new ATOM 1091 N VAL A 73 0.313 5.413 11.818 1.00 0.00 N ATOM 1092 CA VAL A 73 1.391 4.452 11.619 1.00 0.00 C ATOM 1093 C VAL A 73 2.594 4.786 12.494 1.00 0.00 C ATOM 1094 O VAL A 73 3.013 3.980 13.325 1.00 0.00 O ATOM 1095 CB VAL A 73 1.837 4.406 10.146 1.00 0.00 C ATOM 1096 CG1 VAL A 73 0.847 3.608 9.312 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.999 5.815 9.594 1.00 0.00 C ATOM 0 H VAL A 73 0.619 6.385 11.869 1.00 0.00 H new ATOM 0 HA VAL A 73 1.000 3.475 11.903 1.00 0.00 H new ATOM 0 HB VAL A 73 2.804 3.906 10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.179 3.587 8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.787 2.589 9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.136 4.075 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.315 5.763 8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.048 6.343 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.751 6.349 10.175 1.00 0.00 H new ATOM 1107 N ALA A 74 3.146 5.980 12.302 1.00 0.00 N ATOM 1108 CA ALA A 74 4.300 6.421 13.074 1.00 0.00 C ATOM 1109 C ALA A 74 3.882 7.384 14.181 1.00 0.00 C ATOM 1110 O ALA A 74 4.482 8.445 14.352 1.00 0.00 O ATOM 1111 CB ALA A 74 5.327 7.075 12.163 1.00 0.00 C ATOM 0 H ALA A 74 2.812 6.659 11.618 1.00 0.00 H new ATOM 0 HA ALA A 74 4.751 5.545 13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.183 7.399 12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.656 6.358 11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.879 7.938 11.670 1.00 0.00 H new ATOM 1117 N ALA A 75 2.850 7.008 14.929 1.00 0.00 N ATOM 1118 CA ALA A 75 2.354 7.838 16.020 1.00 0.00 C ATOM 1119 C ALA A 75 3.486 8.251 16.953 1.00 0.00 C ATOM 1120 O ALA A 75 3.330 9.218 17.697 1.00 0.00 O ATOM 1121 CB ALA A 75 1.272 7.100 16.794 1.00 0.00 C ATOM 0 H ALA A 75 2.341 6.134 14.799 1.00 0.00 H new ATOM 0 HA ALA A 75 1.925 8.743 15.590 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.911 7.731 17.606 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.445 6.860 16.125 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.684 6.179 17.206 1.00 0.00 H new