USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 523 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 39 THR OG1 : rot -37:sc= 1.27 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 1 USER MOD Set 2.1: A 14 THR OG1 : rot 40:sc= 0.119! USER MOD Set 2.2: A 17 SER OG : rot -87:sc= 0.783 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 130:sc= -2.2! USER MOD Single : A 31 TYR OH : rot 180:sc= -0.283 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0726 USER MOD Single : A 36 TYR OH : rot 30:sc= -1.21! USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.275 (180deg=-1.4!) USER MOD Single : A 55 SER OG : rot -88:sc= 0.292 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 15:sc= -0.331 USER MOD Single : A 60 SER OG : rot 57:sc= 0.707 USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= -1.06 (180deg=-1.18) USER MOD Single : A 68 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.487 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.570 2.319 -7.577 1.00 0.00 N ATOM 109 CA LEU A 8 8.080 1.543 -6.400 1.00 0.00 C ATOM 110 C LEU A 8 9.155 0.565 -5.922 1.00 0.00 C ATOM 111 O LEU A 8 10.182 0.413 -6.553 1.00 0.00 O ATOM 112 CB LEU A 8 6.814 0.728 -6.793 1.00 0.00 C ATOM 113 CG LEU A 8 6.266 1.173 -8.166 1.00 0.00 C ATOM 114 CD1 LEU A 8 5.112 0.251 -8.557 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.732 2.611 -8.074 1.00 0.00 C ATOM 0 HA LEU A 8 7.842 2.247 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.057 -0.334 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.044 0.858 -6.032 1.00 0.00 H new ATOM 0 HG LEU A 8 7.065 1.126 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.716 0.555 -9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.472 -0.776 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.324 0.316 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.347 2.919 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.931 2.655 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.539 3.280 -7.775 1.00 0.00 H new ATOM 127 N GLU A 9 8.898 -0.095 -4.820 1.00 0.00 N ATOM 128 CA GLU A 9 9.908 -1.059 -4.308 1.00 0.00 C ATOM 129 C GLU A 9 9.277 -2.137 -3.424 1.00 0.00 C ATOM 130 O GLU A 9 8.243 -1.926 -2.809 1.00 0.00 O ATOM 131 CB GLU A 9 10.930 -0.273 -3.465 1.00 0.00 C ATOM 132 CG GLU A 9 11.928 -1.253 -2.837 1.00 0.00 C ATOM 133 CD GLU A 9 13.144 -0.475 -2.323 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.063 0.741 -2.353 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.086 -1.144 -1.927 1.00 0.00 O ATOM 0 H GLU A 9 8.047 -0.008 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 9 10.375 -1.554 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.456 0.449 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.418 0.292 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.456 -1.796 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.240 -1.994 -3.573 1.00 0.00 H new ATOM 142 N VAL A 10 9.923 -3.279 -3.388 1.00 0.00 N ATOM 143 CA VAL A 10 9.410 -4.403 -2.562 1.00 0.00 C ATOM 144 C VAL A 10 9.961 -4.288 -1.143 1.00 0.00 C ATOM 145 O VAL A 10 11.154 -4.145 -0.958 1.00 0.00 O ATOM 146 CB VAL A 10 9.907 -5.718 -3.183 1.00 0.00 C ATOM 147 CG1 VAL A 10 9.355 -6.899 -2.381 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.405 -5.809 -4.625 1.00 0.00 C ATOM 0 H VAL A 10 10.784 -3.475 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 10 8.321 -4.378 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 10 10.997 -5.744 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.706 -7.833 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.699 -6.831 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.265 -6.876 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.753 -6.739 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.315 -5.788 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.788 -4.965 -5.198 1.00 0.00 H new ATOM 158 N VAL A 11 9.087 -4.352 -0.167 1.00 0.00 N ATOM 159 CA VAL A 11 9.554 -4.245 1.247 1.00 0.00 C ATOM 160 C VAL A 11 9.551 -5.594 1.947 1.00 0.00 C ATOM 161 O VAL A 11 10.562 -6.029 2.464 1.00 0.00 O ATOM 162 CB VAL A 11 8.601 -3.292 1.982 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.849 -3.368 3.482 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.875 -1.872 1.516 1.00 0.00 C ATOM 0 H VAL A 11 8.081 -4.472 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 11 10.579 -3.874 1.255 1.00 0.00 H new ATOM 0 HB VAL A 11 7.570 -3.574 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.170 -2.689 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.676 -4.387 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.879 -3.082 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.204 -1.184 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.908 -1.608 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.709 -1.804 0.441 1.00 0.00 H new ATOM 174 N ALA A 12 8.421 -6.228 1.955 1.00 0.00 N ATOM 175 CA ALA A 12 8.326 -7.557 2.619 1.00 0.00 C ATOM 176 C ALA A 12 7.427 -8.500 1.829 1.00 0.00 C ATOM 177 O ALA A 12 6.641 -8.072 1.009 1.00 0.00 O ATOM 178 CB ALA A 12 7.722 -7.360 4.019 1.00 0.00 C ATOM 0 H ALA A 12 7.557 -5.888 1.532 1.00 0.00 H new ATOM 0 HA ALA A 12 9.323 -7.993 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.645 -8.324 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.362 -6.698 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.730 -6.918 3.928 1.00 0.00 H new ATOM 184 N ALA A 13 7.563 -9.772 2.092 1.00 0.00 N ATOM 185 CA ALA A 13 6.727 -10.758 1.368 1.00 0.00 C ATOM 186 C ALA A 13 6.444 -11.974 2.238 1.00 0.00 C ATOM 187 O ALA A 13 7.166 -12.950 2.196 1.00 0.00 O ATOM 188 CB ALA A 13 7.488 -11.216 0.116 1.00 0.00 C ATOM 0 H ALA A 13 8.213 -10.164 2.773 1.00 0.00 H new ATOM 0 HA ALA A 13 5.779 -10.290 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.887 -11.943 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.687 -10.356 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.432 -11.674 0.411 1.00 0.00 H new ATOM 194 N THR A 14 5.398 -11.897 3.014 1.00 0.00 N ATOM 195 CA THR A 14 5.064 -13.043 3.887 1.00 0.00 C ATOM 196 C THR A 14 4.550 -14.221 3.039 1.00 0.00 C ATOM 197 O THR A 14 4.096 -14.026 1.928 1.00 0.00 O ATOM 198 CB THR A 14 3.956 -12.602 4.850 1.00 0.00 C ATOM 199 OG1 THR A 14 3.386 -11.452 4.258 1.00 0.00 O ATOM 200 CG2 THR A 14 4.552 -12.098 6.172 1.00 0.00 C ATOM 0 H THR A 14 4.769 -11.096 3.077 1.00 0.00 H new ATOM 0 HA THR A 14 5.951 -13.361 4.435 1.00 0.00 H new ATOM 0 HB THR A 14 3.270 -13.430 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.323 -11.580 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.747 -11.790 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.127 -12.897 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.206 -11.248 5.976 1.00 0.00 H new ATOM 208 N PRO A 15 4.626 -15.436 3.578 1.00 0.00 N ATOM 209 CA PRO A 15 4.163 -16.614 2.849 1.00 0.00 C ATOM 210 C PRO A 15 2.695 -16.477 2.453 1.00 0.00 C ATOM 211 O PRO A 15 2.156 -17.318 1.762 1.00 0.00 O ATOM 212 CB PRO A 15 4.322 -17.785 3.843 1.00 0.00 C ATOM 213 CG PRO A 15 4.876 -17.194 5.174 1.00 0.00 C ATOM 214 CD PRO A 15 5.159 -15.704 4.926 1.00 0.00 C ATOM 0 HA PRO A 15 4.728 -16.758 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.365 -18.278 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.003 -18.537 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.154 -17.319 5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.785 -17.713 5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.672 -15.079 5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.227 -15.491 4.978 1.00 0.00 H new ATOM 222 N THR A 16 2.074 -15.418 2.903 1.00 0.00 N ATOM 223 CA THR A 16 0.645 -15.214 2.561 1.00 0.00 C ATOM 224 C THR A 16 0.292 -13.731 2.522 1.00 0.00 C ATOM 225 O THR A 16 -0.811 -13.346 2.854 1.00 0.00 O ATOM 226 CB THR A 16 -0.207 -15.893 3.638 1.00 0.00 C ATOM 227 OG1 THR A 16 0.367 -15.504 4.870 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.032 -17.416 3.595 1.00 0.00 C ATOM 0 H THR A 16 2.494 -14.695 3.487 1.00 0.00 H new ATOM 0 HA THR A 16 0.454 -15.639 1.576 1.00 0.00 H new ATOM 0 HB THR A 16 -1.255 -15.626 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.137 -15.907 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.647 -17.875 4.369 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.339 -17.790 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.015 -17.667 3.767 1.00 0.00 H new ATOM 236 N SER A 17 1.232 -12.923 2.118 1.00 0.00 N ATOM 237 CA SER A 17 0.954 -11.469 2.056 1.00 0.00 C ATOM 238 C SER A 17 2.114 -10.717 1.426 1.00 0.00 C ATOM 239 O SER A 17 3.232 -10.785 1.900 1.00 0.00 O ATOM 240 CB SER A 17 0.748 -10.951 3.487 1.00 0.00 C ATOM 241 OG SER A 17 1.702 -9.905 3.620 1.00 0.00 O ATOM 0 H SER A 17 2.169 -13.206 1.832 1.00 0.00 H new ATOM 0 HA SER A 17 0.064 -11.307 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.268 -10.585 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.914 -11.738 4.223 1.00 0.00 H new ATOM 0 HG SER A 17 2.559 -10.279 3.913 1.00 0.00 H new ATOM 247 N LEU A 18 1.825 -10.016 0.361 1.00 0.00 N ATOM 248 CA LEU A 18 2.895 -9.246 -0.323 1.00 0.00 C ATOM 249 C LEU A 18 2.859 -7.783 0.127 1.00 0.00 C ATOM 250 O LEU A 18 1.826 -7.145 0.070 1.00 0.00 O ATOM 251 CB LEU A 18 2.632 -9.313 -1.848 1.00 0.00 C ATOM 252 CG LEU A 18 3.948 -9.538 -2.631 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.919 -8.380 -2.360 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.593 -10.869 -2.213 1.00 0.00 C ATOM 0 H LEU A 18 0.898 -9.946 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 18 3.870 -9.666 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.934 -10.121 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.161 -8.388 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 18 3.723 -9.576 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.844 -8.543 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.465 -7.442 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.138 -8.331 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.518 -11.016 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.812 -10.848 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.907 -11.689 -2.426 1.00 0.00 H new ATOM 266 N LEU A 19 3.992 -7.282 0.563 1.00 0.00 N ATOM 267 CA LEU A 19 4.050 -5.861 1.026 1.00 0.00 C ATOM 268 C LEU A 19 4.849 -4.988 0.059 1.00 0.00 C ATOM 269 O LEU A 19 5.985 -5.289 -0.250 1.00 0.00 O ATOM 270 CB LEU A 19 4.759 -5.843 2.393 1.00 0.00 C ATOM 271 CG LEU A 19 4.309 -4.613 3.191 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.086 -4.978 4.036 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.443 -4.169 4.121 1.00 0.00 C ATOM 0 H LEU A 19 4.873 -7.793 0.617 1.00 0.00 H new ATOM 0 HA LEU A 19 3.036 -5.467 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.526 -6.753 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.840 -5.823 2.253 1.00 0.00 H new ATOM 0 HG LEU A 19 4.057 -3.805 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.763 -4.106 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.277 -5.305 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.346 -5.783 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.126 -3.295 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.689 -4.979 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.322 -3.917 3.528 1.00 0.00 H new ATOM 285 N ILE A 20 4.231 -3.918 -0.400 1.00 0.00 N ATOM 286 CA ILE A 20 4.933 -3.000 -1.349 1.00 0.00 C ATOM 287 C ILE A 20 4.876 -1.575 -0.841 1.00 0.00 C ATOM 288 O ILE A 20 4.228 -1.286 0.147 1.00 0.00 O ATOM 289 CB ILE A 20 4.241 -3.066 -2.730 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.935 -2.258 -2.724 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.916 -4.532 -3.031 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.155 -2.543 -4.010 1.00 0.00 C ATOM 0 H ILE A 20 3.278 -3.647 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 20 5.974 -3.311 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 20 4.905 -2.647 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.334 -2.524 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.154 -1.193 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.426 -4.604 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.838 -5.114 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.252 -4.923 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.228 -1.970 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.757 -2.255 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.924 -3.607 -4.067 1.00 0.00 H new ATOM 304 N SER A 21 5.553 -0.708 -1.525 1.00 0.00 N ATOM 305 CA SER A 21 5.553 0.705 -1.101 1.00 0.00 C ATOM 306 C SER A 21 6.036 1.586 -2.231 1.00 0.00 C ATOM 307 O SER A 21 6.992 1.252 -2.905 1.00 0.00 O ATOM 308 CB SER A 21 6.504 0.847 0.094 1.00 0.00 C ATOM 309 OG SER A 21 7.484 -0.141 -0.136 1.00 0.00 O ATOM 0 H SER A 21 6.105 -0.917 -2.357 1.00 0.00 H new ATOM 0 HA SER A 21 4.543 1.009 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.944 1.843 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.986 0.684 1.039 1.00 0.00 H new ATOM 0 HG SER A 21 8.376 0.257 -0.054 1.00 0.00 H new ATOM 315 N TRP A 22 5.366 2.702 -2.426 1.00 0.00 N ATOM 316 CA TRP A 22 5.787 3.616 -3.521 1.00 0.00 C ATOM 317 C TRP A 22 5.828 5.070 -3.060 1.00 0.00 C ATOM 318 O TRP A 22 6.113 5.346 -1.911 1.00 0.00 O ATOM 319 CB TRP A 22 4.821 3.449 -4.726 1.00 0.00 C ATOM 320 CG TRP A 22 3.479 4.126 -4.467 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.137 5.302 -4.968 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.495 3.603 -3.773 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.875 5.477 -4.539 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.390 4.437 -3.768 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.441 2.391 -3.111 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.242 4.061 -3.102 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.295 2.017 -2.446 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.194 2.852 -2.441 1.00 0.00 C ATOM 0 H TRP A 22 4.561 3.009 -1.880 1.00 0.00 H new ATOM 0 HA TRP A 22 6.800 3.350 -3.824 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.277 3.874 -5.620 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.663 2.389 -4.922 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.732 5.965 -5.578 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.323 6.305 -4.763 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.300 1.736 -3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.619 4.713 -3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.256 1.070 -1.928 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.704 2.557 -1.919 1.00 0.00 H new ATOM 415 N VAL A 29 -3.892 15.264 -3.130 1.00 0.00 N ATOM 416 CA VAL A 29 -4.077 13.968 -3.845 1.00 0.00 C ATOM 417 C VAL A 29 -5.434 13.359 -3.523 1.00 0.00 C ATOM 418 O VAL A 29 -5.894 13.425 -2.401 1.00 0.00 O ATOM 419 CB VAL A 29 -2.988 12.991 -3.366 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.290 11.593 -3.916 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.630 13.458 -3.886 1.00 0.00 C ATOM 0 HA VAL A 29 -4.012 14.146 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.971 12.961 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.522 10.896 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.263 11.262 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.300 11.625 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.855 12.769 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.646 13.482 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.418 14.457 -3.505 1.00 0.00 H new ATOM 431 N ARG A 30 -6.051 12.775 -4.515 1.00 0.00 N ATOM 432 CA ARG A 30 -7.373 12.158 -4.278 1.00 0.00 C ATOM 433 C ARG A 30 -7.204 10.696 -3.905 1.00 0.00 C ATOM 434 O ARG A 30 -7.268 10.345 -2.743 1.00 0.00 O ATOM 435 CB ARG A 30 -8.212 12.266 -5.565 1.00 0.00 C ATOM 436 CG ARG A 30 -9.333 13.281 -5.337 1.00 0.00 C ATOM 437 CD ARG A 30 -10.099 13.497 -6.644 1.00 0.00 C ATOM 438 NE ARG A 30 -10.059 14.946 -6.990 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.177 15.601 -7.156 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.736 15.606 -8.336 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.700 16.229 -6.138 1.00 0.00 N ATOM 0 H ARG A 30 -5.695 12.702 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.875 12.676 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.584 12.578 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.630 11.294 -5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.010 12.923 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.917 14.226 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.654 12.905 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.131 13.163 -6.536 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.164 15.423 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.300 15.104 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.609 16.112 -8.485 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.236 16.204 -5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.573 16.745 -6.251 1.00 0.00 H new ATOM 455 N TYR A 31 -6.983 9.859 -4.887 1.00 0.00 N ATOM 456 CA TYR A 31 -6.809 8.423 -4.570 1.00 0.00 C ATOM 457 C TYR A 31 -5.900 7.715 -5.573 1.00 0.00 C ATOM 458 O TYR A 31 -5.509 8.268 -6.591 1.00 0.00 O ATOM 459 CB TYR A 31 -8.187 7.727 -4.599 1.00 0.00 C ATOM 460 CG TYR A 31 -9.300 8.763 -4.774 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.779 9.471 -3.690 1.00 0.00 C ATOM 462 CD2 TYR A 31 -9.851 8.990 -6.018 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.791 10.397 -3.850 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.862 9.913 -6.178 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.341 10.624 -5.095 1.00 0.00 C ATOM 466 OH TYR A 31 -12.351 11.550 -5.257 1.00 0.00 O ATOM 0 H TYR A 31 -6.918 10.108 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.349 8.361 -3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.221 7.005 -5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.341 7.170 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.359 9.299 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.487 8.440 -6.873 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.154 10.947 -2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.283 10.082 -7.158 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.618 11.581 -6.199 1.00 0.00 H new ATOM 476 N TYR A 32 -5.587 6.496 -5.241 1.00 0.00 N ATOM 477 CA TYR A 32 -4.714 5.667 -6.105 1.00 0.00 C ATOM 478 C TYR A 32 -5.370 4.304 -6.282 1.00 0.00 C ATOM 479 O TYR A 32 -6.226 3.940 -5.501 1.00 0.00 O ATOM 480 CB TYR A 32 -3.371 5.456 -5.374 1.00 0.00 C ATOM 481 CG TYR A 32 -2.315 6.450 -5.876 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.434 7.799 -5.607 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.195 6.001 -6.552 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.447 8.681 -6.003 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.210 6.885 -6.946 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.330 8.232 -6.673 1.00 0.00 C ATOM 487 OH TYR A 32 0.660 9.114 -7.042 1.00 0.00 O ATOM 0 H TYR A 32 -5.907 6.033 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.560 6.151 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.513 5.580 -4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.021 4.436 -5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.304 8.167 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.090 4.949 -6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.552 9.734 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.660 6.520 -7.471 1.00 0.00 H new ATOM 0 HH TYR A 32 1.375 8.629 -7.504 1.00 0.00 H new ATOM 497 N ARG A 33 -4.980 3.572 -7.296 1.00 0.00 N ATOM 498 CA ARG A 33 -5.611 2.223 -7.488 1.00 0.00 C ATOM 499 C ARG A 33 -4.584 1.201 -7.898 1.00 0.00 C ATOM 500 O ARG A 33 -3.942 1.321 -8.924 1.00 0.00 O ATOM 501 CB ARG A 33 -6.726 2.304 -8.555 1.00 0.00 C ATOM 502 CG ARG A 33 -7.437 3.661 -8.443 1.00 0.00 C ATOM 503 CD ARG A 33 -8.597 3.703 -9.438 1.00 0.00 C ATOM 504 NE ARG A 33 -8.543 4.990 -10.188 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.652 5.621 -10.467 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.505 5.067 -11.284 1.00 0.00 N ATOM 507 NH2 ARG A 33 -9.868 6.787 -9.918 1.00 0.00 N ATOM 0 H ARG A 33 -4.273 3.836 -7.983 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.045 1.913 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.301 2.184 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.441 1.493 -8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.807 3.809 -7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.736 4.470 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.533 2.862 -10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.548 3.612 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.645 5.376 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.301 4.155 -11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.376 5.545 -11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.177 7.188 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.728 7.296 -10.123 1.00 0.00 H new ATOM 521 N ILE A 34 -4.450 0.201 -7.067 1.00 0.00 N ATOM 522 CA ILE A 34 -3.472 -0.874 -7.348 1.00 0.00 C ATOM 523 C ILE A 34 -4.167 -2.148 -7.825 1.00 0.00 C ATOM 524 O ILE A 34 -4.922 -2.759 -7.092 1.00 0.00 O ATOM 525 CB ILE A 34 -2.718 -1.176 -6.047 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.014 0.102 -5.550 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.650 -2.255 -6.338 1.00 0.00 C ATOM 528 CD1 ILE A 34 -1.566 -0.063 -4.085 1.00 0.00 C ATOM 0 H ILE A 34 -4.981 0.088 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.795 -0.543 -8.136 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.417 -1.525 -5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.150 0.316 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.689 0.953 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.104 -2.482 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.137 -3.159 -6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.956 -1.886 -7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.071 0.849 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.437 -0.254 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.873 -0.901 -4.009 1.00 0.00 H new ATOM 540 N THR A 35 -3.890 -2.518 -9.051 1.00 0.00 N ATOM 541 CA THR A 35 -4.509 -3.747 -9.622 1.00 0.00 C ATOM 542 C THR A 35 -3.442 -4.811 -9.816 1.00 0.00 C ATOM 543 O THR A 35 -2.351 -4.504 -10.255 1.00 0.00 O ATOM 544 CB THR A 35 -5.101 -3.398 -10.997 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.026 -3.515 -11.905 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.505 -1.913 -11.072 1.00 0.00 C ATOM 0 H THR A 35 -3.260 -2.019 -9.680 1.00 0.00 H new ATOM 0 HA THR A 35 -5.282 -4.118 -8.948 1.00 0.00 H new ATOM 0 HB THR A 35 -5.963 -4.035 -11.195 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.338 -3.305 -12.810 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.920 -1.698 -12.057 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.253 -1.701 -10.309 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.628 -1.288 -10.904 1.00 0.00 H new ATOM 554 N TYR A 36 -3.758 -6.048 -9.484 1.00 0.00 N ATOM 555 CA TYR A 36 -2.739 -7.112 -9.661 1.00 0.00 C ATOM 556 C TYR A 36 -3.359 -8.381 -10.205 1.00 0.00 C ATOM 557 O TYR A 36 -4.517 -8.681 -9.949 1.00 0.00 O ATOM 558 CB TYR A 36 -2.075 -7.401 -8.300 1.00 0.00 C ATOM 559 CG TYR A 36 -3.077 -8.054 -7.346 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.152 -7.340 -6.854 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.900 -9.360 -6.935 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.030 -7.922 -5.965 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.778 -9.940 -6.047 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.850 -9.226 -5.555 1.00 0.00 C ATOM 565 OH TYR A 36 -5.729 -9.808 -4.666 1.00 0.00 O ATOM 0 H TYR A 36 -4.657 -6.350 -9.108 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.995 -6.767 -10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.215 -8.057 -8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.701 -6.473 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.306 -6.318 -7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.066 -9.932 -7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.866 -7.352 -5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.626 -10.962 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.619 -9.413 -4.779 1.00 0.00 H new ATOM 575 N GLY A 37 -2.575 -9.095 -10.965 1.00 0.00 N ATOM 576 CA GLY A 37 -3.067 -10.360 -11.559 1.00 0.00 C ATOM 577 C GLY A 37 -1.914 -11.090 -12.250 1.00 0.00 C ATOM 578 O GLY A 37 -0.935 -10.480 -12.633 1.00 0.00 O ATOM 0 H GLY A 37 -1.612 -8.852 -11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.498 -10.993 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.860 -10.151 -12.277 1.00 0.00 H new ATOM 582 N GLU A 38 -2.049 -12.377 -12.399 1.00 0.00 N ATOM 583 CA GLU A 38 -0.966 -13.146 -13.061 1.00 0.00 C ATOM 584 C GLU A 38 -0.846 -12.756 -14.530 1.00 0.00 C ATOM 585 O GLU A 38 -1.833 -12.500 -15.190 1.00 0.00 O ATOM 586 CB GLU A 38 -1.305 -14.643 -12.973 1.00 0.00 C ATOM 587 CG GLU A 38 -0.514 -15.401 -14.044 1.00 0.00 C ATOM 588 CD GLU A 38 -0.427 -16.881 -13.662 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.014 -17.127 -12.540 1.00 0.00 O ATOM 590 OE2 GLU A 38 -0.776 -17.681 -14.514 1.00 0.00 O ATOM 0 H GLU A 38 -2.854 -12.923 -12.094 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.021 -12.930 -12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.059 -15.026 -11.983 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.375 -14.795 -13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.999 -15.293 -15.014 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.487 -14.979 -14.139 1.00 0.00 H new ATOM 597 N THR A 39 0.365 -12.716 -15.015 1.00 0.00 N ATOM 598 CA THR A 39 0.566 -12.344 -16.436 1.00 0.00 C ATOM 599 C THR A 39 0.036 -13.436 -17.361 1.00 0.00 C ATOM 600 O THR A 39 0.037 -14.599 -17.009 1.00 0.00 O ATOM 601 CB THR A 39 2.068 -12.174 -16.683 1.00 0.00 C ATOM 602 OG1 THR A 39 2.549 -11.451 -15.568 1.00 0.00 O ATOM 603 CG2 THR A 39 2.324 -11.249 -17.882 1.00 0.00 C ATOM 0 H THR A 39 1.215 -12.924 -14.491 1.00 0.00 H new ATOM 0 HA THR A 39 0.028 -11.419 -16.643 1.00 0.00 H new ATOM 0 HB THR A 39 2.528 -13.148 -16.848 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.878 -10.792 -15.291 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.398 -11.144 -18.038 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.868 -11.676 -18.775 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.888 -10.269 -17.685 1.00 0.00 H new ATOM 664 N VAL A 45 -6.576 -11.240 -10.794 1.00 0.00 N ATOM 665 CA VAL A 45 -7.136 -11.323 -9.421 1.00 0.00 C ATOM 666 C VAL A 45 -8.164 -10.242 -9.167 1.00 0.00 C ATOM 667 O VAL A 45 -9.353 -10.482 -9.242 1.00 0.00 O ATOM 668 CB VAL A 45 -5.995 -11.156 -8.406 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.574 -11.240 -6.995 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.968 -12.271 -8.601 1.00 0.00 C ATOM 0 HA VAL A 45 -7.622 -12.293 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.509 -10.191 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.773 -11.123 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.310 -10.448 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.053 -12.209 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.159 -12.151 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.448 -13.238 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.563 -12.220 -9.612 1.00 0.00 H new ATOM 680 N GLN A 46 -7.696 -9.067 -8.867 1.00 0.00 N ATOM 681 CA GLN A 46 -8.652 -7.955 -8.602 1.00 0.00 C ATOM 682 C GLN A 46 -7.917 -6.630 -8.433 1.00 0.00 C ATOM 683 O GLN A 46 -6.793 -6.481 -8.869 1.00 0.00 O ATOM 684 CB GLN A 46 -9.415 -8.271 -7.293 1.00 0.00 C ATOM 685 CG GLN A 46 -10.914 -8.042 -7.515 1.00 0.00 C ATOM 686 CD GLN A 46 -11.650 -8.150 -6.175 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.679 -7.221 -5.393 1.00 0.00 O ATOM 688 NE2 GLN A 46 -12.257 -9.266 -5.873 1.00 0.00 N ATOM 0 H GLN A 46 -6.707 -8.827 -8.794 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.336 -7.867 -9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.233 -9.303 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.054 -7.635 -6.485 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.081 -7.059 -7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.305 -8.778 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.237 -10.050 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.751 -9.354 -4.985 1.00 0.00 H new ATOM 697 N GLU A 47 -8.573 -5.687 -7.805 1.00 0.00 N ATOM 698 CA GLU A 47 -7.929 -4.367 -7.598 1.00 0.00 C ATOM 699 C GLU A 47 -8.649 -3.570 -6.510 1.00 0.00 C ATOM 700 O GLU A 47 -9.798 -3.827 -6.210 1.00 0.00 O ATOM 701 CB GLU A 47 -8.013 -3.586 -8.914 1.00 0.00 C ATOM 702 CG GLU A 47 -9.471 -3.206 -9.182 1.00 0.00 C ATOM 703 CD GLU A 47 -9.709 -3.149 -10.693 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.373 -2.119 -11.256 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.212 -4.138 -11.199 1.00 0.00 O ATOM 0 H GLU A 47 -9.518 -5.778 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.895 -4.519 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.395 -2.690 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.625 -4.190 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.139 -3.936 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.696 -2.240 -8.730 1.00 0.00 H new ATOM 712 N PHE A 48 -7.961 -2.615 -5.936 1.00 0.00 N ATOM 713 CA PHE A 48 -8.600 -1.800 -4.867 1.00 0.00 C ATOM 714 C PHE A 48 -8.080 -0.363 -4.889 1.00 0.00 C ATOM 715 O PHE A 48 -7.053 -0.086 -5.477 1.00 0.00 O ATOM 716 CB PHE A 48 -8.262 -2.429 -3.504 1.00 0.00 C ATOM 717 CG PHE A 48 -6.791 -2.861 -3.484 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.391 -4.021 -4.127 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.842 -2.102 -2.818 1.00 0.00 C ATOM 720 CE1 PHE A 48 -5.067 -4.415 -4.100 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.520 -2.500 -2.792 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.134 -3.654 -3.434 1.00 0.00 C ATOM 0 H PHE A 48 -6.997 -2.369 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.677 -1.782 -5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.451 -1.712 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.906 -3.289 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.119 -4.621 -4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.138 -1.193 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.764 -5.322 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.788 -1.904 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.099 -3.962 -3.415 1.00 0.00 H new ATOM 732 N THR A 49 -8.812 0.527 -4.245 1.00 0.00 N ATOM 733 CA THR A 49 -8.384 1.958 -4.210 1.00 0.00 C ATOM 734 C THR A 49 -8.038 2.398 -2.796 1.00 0.00 C ATOM 735 O THR A 49 -8.527 1.839 -1.833 1.00 0.00 O ATOM 736 CB THR A 49 -9.541 2.830 -4.715 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.555 2.706 -3.741 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.159 2.245 -5.990 1.00 0.00 C ATOM 0 H THR A 49 -9.679 0.320 -3.749 1.00 0.00 H new ATOM 0 HA THR A 49 -7.500 2.067 -4.838 1.00 0.00 H new ATOM 0 HB THR A 49 -9.182 3.843 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.330 3.245 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.976 2.884 -6.325 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.400 2.189 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.541 1.245 -5.783 1.00 0.00 H new ATOM 746 N VAL A 50 -7.199 3.399 -2.703 1.00 0.00 N ATOM 747 CA VAL A 50 -6.793 3.908 -1.370 1.00 0.00 C ATOM 748 C VAL A 50 -6.792 5.454 -1.373 1.00 0.00 C ATOM 749 O VAL A 50 -6.695 6.067 -2.418 1.00 0.00 O ATOM 750 CB VAL A 50 -5.365 3.409 -1.094 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.426 2.124 -0.264 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.679 3.114 -2.426 1.00 0.00 C ATOM 0 H VAL A 50 -6.780 3.882 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.487 3.556 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.807 4.169 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.414 1.769 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.930 2.325 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.977 1.361 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.665 2.759 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.240 2.348 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.642 4.024 -3.026 1.00 0.00 H new ATOM 762 N PRO A 51 -6.897 6.065 -0.192 1.00 0.00 N ATOM 763 CA PRO A 51 -6.903 7.530 -0.091 1.00 0.00 C ATOM 764 C PRO A 51 -5.601 8.156 -0.620 1.00 0.00 C ATOM 765 O PRO A 51 -5.373 9.340 -0.459 1.00 0.00 O ATOM 766 CB PRO A 51 -7.039 7.821 1.418 1.00 0.00 C ATOM 767 CG PRO A 51 -6.972 6.454 2.163 1.00 0.00 C ATOM 768 CD PRO A 51 -7.027 5.354 1.095 1.00 0.00 C ATOM 0 HA PRO A 51 -7.709 7.955 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.240 8.482 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.981 8.327 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.055 6.378 2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.803 6.355 2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.222 4.632 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.964 4.800 1.147 1.00 0.00 H new ATOM 776 N GLY A 52 -4.770 7.351 -1.233 1.00 0.00 N ATOM 777 CA GLY A 52 -3.483 7.892 -1.772 1.00 0.00 C ATOM 778 C GLY A 52 -2.667 8.577 -0.670 1.00 0.00 C ATOM 779 O GLY A 52 -1.722 9.287 -0.951 1.00 0.00 O ATOM 0 H GLY A 52 -4.923 6.354 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.900 7.082 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.691 8.604 -2.571 1.00 0.00 H new ATOM 783 N SER A 53 -3.045 8.355 0.558 1.00 0.00 N ATOM 784 CA SER A 53 -2.297 8.988 1.669 1.00 0.00 C ATOM 785 C SER A 53 -1.158 8.091 2.120 1.00 0.00 C ATOM 786 O SER A 53 -0.009 8.488 2.115 1.00 0.00 O ATOM 787 CB SER A 53 -3.254 9.189 2.844 1.00 0.00 C ATOM 788 OG SER A 53 -3.565 10.574 2.808 1.00 0.00 O ATOM 0 H SER A 53 -3.832 7.768 0.835 1.00 0.00 H new ATOM 0 HA SER A 53 -1.888 9.940 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.150 8.577 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.788 8.910 3.789 1.00 0.00 H new ATOM 0 HG SER A 53 -4.183 10.789 3.537 1.00 0.00 H new ATOM 794 N LYS A 54 -1.498 6.893 2.504 1.00 0.00 N ATOM 795 CA LYS A 54 -0.451 5.954 2.962 1.00 0.00 C ATOM 796 C LYS A 54 0.497 5.620 1.823 1.00 0.00 C ATOM 797 O LYS A 54 0.081 5.153 0.782 1.00 0.00 O ATOM 798 CB LYS A 54 -1.130 4.661 3.436 1.00 0.00 C ATOM 799 CG LYS A 54 -1.940 4.955 4.700 1.00 0.00 C ATOM 800 CD LYS A 54 -2.649 3.675 5.149 1.00 0.00 C ATOM 801 CE LYS A 54 -4.163 3.895 5.103 1.00 0.00 C ATOM 802 NZ LYS A 54 -4.571 4.432 3.776 1.00 0.00 N ATOM 0 H LYS A 54 -2.451 6.530 2.519 1.00 0.00 H new ATOM 0 HA LYS A 54 0.116 6.414 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.781 4.270 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.381 3.896 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.284 5.319 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.670 5.741 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.370 2.844 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.339 3.409 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.679 2.955 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.460 4.589 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.549 4.144 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.511 5.470 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.938 4.057 3.040 1.00 0.00 H new ATOM 816 N SER A 55 1.757 5.866 2.039 1.00 0.00 N ATOM 817 CA SER A 55 2.745 5.568 0.979 1.00 0.00 C ATOM 818 C SER A 55 3.076 4.084 0.958 1.00 0.00 C ATOM 819 O SER A 55 3.978 3.656 0.263 1.00 0.00 O ATOM 820 CB SER A 55 4.027 6.360 1.279 1.00 0.00 C ATOM 821 OG SER A 55 4.373 6.950 0.034 1.00 0.00 O ATOM 0 H SER A 55 2.140 6.258 2.899 1.00 0.00 H new ATOM 0 HA SER A 55 2.331 5.847 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.857 7.117 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.821 5.709 1.645 1.00 0.00 H new ATOM 0 HG SER A 55 4.942 6.334 -0.473 1.00 0.00 H new ATOM 827 N THR A 56 2.330 3.324 1.728 1.00 0.00 N ATOM 828 CA THR A 56 2.571 1.859 1.782 1.00 0.00 C ATOM 829 C THR A 56 1.273 1.086 1.568 1.00 0.00 C ATOM 830 O THR A 56 0.196 1.607 1.774 1.00 0.00 O ATOM 831 CB THR A 56 3.119 1.512 3.172 1.00 0.00 C ATOM 832 OG1 THR A 56 2.557 2.471 4.046 1.00 0.00 O ATOM 833 CG2 THR A 56 4.634 1.761 3.250 1.00 0.00 C ATOM 0 H THR A 56 1.569 3.661 2.317 1.00 0.00 H new ATOM 0 HA THR A 56 3.276 1.587 0.997 1.00 0.00 H new ATOM 0 HB THR A 56 2.894 0.471 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.869 2.303 4.960 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.994 1.506 4.247 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.143 1.142 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.841 2.812 3.047 1.00 0.00 H new ATOM 841 N ALA A 57 1.404 -0.147 1.158 1.00 0.00 N ATOM 842 CA ALA A 57 0.193 -0.972 0.925 1.00 0.00 C ATOM 843 C ALA A 57 0.533 -2.455 1.011 1.00 0.00 C ATOM 844 O ALA A 57 1.690 -2.824 1.047 1.00 0.00 O ATOM 845 CB ALA A 57 -0.343 -0.666 -0.481 1.00 0.00 C ATOM 0 H ALA A 57 2.293 -0.613 0.976 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.553 -0.737 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.234 -1.265 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.595 0.392 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.419 -0.908 -1.222 1.00 0.00 H new ATOM 851 N THR A 58 -0.482 -3.281 1.044 1.00 0.00 N ATOM 852 CA THR A 58 -0.228 -4.743 1.128 1.00 0.00 C ATOM 853 C THR A 58 -1.240 -5.528 0.300 1.00 0.00 C ATOM 854 O THR A 58 -2.286 -5.023 -0.052 1.00 0.00 O ATOM 855 CB THR A 58 -0.355 -5.167 2.595 1.00 0.00 C ATOM 856 OG1 THR A 58 0.338 -6.395 2.689 1.00 0.00 O ATOM 857 CG2 THR A 58 -1.810 -5.519 2.944 1.00 0.00 C ATOM 0 H THR A 58 -1.464 -3.006 1.017 1.00 0.00 H new ATOM 0 HA THR A 58 0.769 -4.952 0.739 1.00 0.00 H new ATOM 0 HB THR A 58 0.008 -4.368 3.241 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.901 -6.515 1.896 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.871 -5.816 3.991 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.445 -4.649 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.147 -6.341 2.313 1.00 0.00 H new ATOM 865 N ILE A 59 -0.901 -6.760 0.007 1.00 0.00 N ATOM 866 CA ILE A 59 -1.819 -7.611 -0.796 1.00 0.00 C ATOM 867 C ILE A 59 -1.844 -9.031 -0.250 1.00 0.00 C ATOM 868 O ILE A 59 -0.838 -9.540 0.194 1.00 0.00 O ATOM 869 CB ILE A 59 -1.304 -7.657 -2.239 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.688 -6.376 -2.968 1.00 0.00 C ATOM 871 CG2 ILE A 59 -1.971 -8.846 -2.956 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.711 -6.139 -4.126 1.00 0.00 C ATOM 0 H ILE A 59 -0.030 -7.208 0.291 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.824 -7.191 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.219 -7.762 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.707 -6.451 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.665 -5.531 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.617 -8.895 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.716 -9.772 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.053 -8.714 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.983 -5.223 -4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.302 -6.046 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.756 -6.980 -4.818 1.00 0.00 H new ATOM 884 N SER A 60 -2.994 -9.643 -0.290 1.00 0.00 N ATOM 885 CA SER A 60 -3.097 -11.033 0.226 1.00 0.00 C ATOM 886 C SER A 60 -4.074 -11.847 -0.614 1.00 0.00 C ATOM 887 O SER A 60 -5.080 -11.338 -1.068 1.00 0.00 O ATOM 888 CB SER A 60 -3.616 -10.978 1.669 1.00 0.00 C ATOM 889 OG SER A 60 -3.035 -12.117 2.288 1.00 0.00 O ATOM 0 H SER A 60 -3.859 -9.244 -0.654 1.00 0.00 H new ATOM 0 HA SER A 60 -2.115 -11.504 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.314 -10.056 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.705 -11.017 1.703 1.00 0.00 H new ATOM 0 HG SER A 60 -2.060 -12.075 2.200 1.00 0.00 H new ATOM 895 N GLY A 61 -3.760 -13.102 -0.807 1.00 0.00 N ATOM 896 CA GLY A 61 -4.663 -13.971 -1.618 1.00 0.00 C ATOM 897 C GLY A 61 -4.095 -14.125 -3.024 1.00 0.00 C ATOM 898 O GLY A 61 -4.787 -13.922 -4.003 1.00 0.00 O ATOM 0 H GLY A 61 -2.925 -13.559 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.764 -14.948 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.661 -13.534 -1.663 1.00 0.00 H new ATOM 902 N LEU A 62 -2.839 -14.482 -3.083 1.00 0.00 N ATOM 903 CA LEU A 62 -2.178 -14.662 -4.401 1.00 0.00 C ATOM 904 C LEU A 62 -1.446 -15.997 -4.479 1.00 0.00 C ATOM 905 O LEU A 62 -1.570 -16.830 -3.604 1.00 0.00 O ATOM 906 CB LEU A 62 -1.160 -13.503 -4.601 1.00 0.00 C ATOM 907 CG LEU A 62 0.068 -13.671 -3.669 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.003 -12.482 -3.872 1.00 0.00 C ATOM 909 CD2 LEU A 62 -0.376 -13.702 -2.204 1.00 0.00 C ATOM 0 H LEU A 62 -2.245 -14.656 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.939 -14.652 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.831 -13.479 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.646 -12.549 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 62 0.574 -14.606 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.872 -12.587 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.329 -12.449 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.477 -11.559 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.497 -13.820 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.884 -12.769 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.057 -14.538 -2.048 1.00 0.00 H new ATOM 921 N LYS A 63 -0.694 -16.167 -5.541 1.00 0.00 N ATOM 922 CA LYS A 63 0.069 -17.431 -5.727 1.00 0.00 C ATOM 923 C LYS A 63 1.590 -17.147 -5.754 1.00 0.00 C ATOM 924 O LYS A 63 2.146 -16.912 -6.809 1.00 0.00 O ATOM 925 CB LYS A 63 -0.331 -18.021 -7.092 1.00 0.00 C ATOM 926 CG LYS A 63 -1.639 -18.803 -6.940 1.00 0.00 C ATOM 927 CD LYS A 63 -1.335 -20.217 -6.425 1.00 0.00 C ATOM 928 CE LYS A 63 -1.278 -21.181 -7.612 1.00 0.00 C ATOM 929 NZ LYS A 63 -0.376 -20.651 -8.672 1.00 0.00 N ATOM 0 H LYS A 63 -0.579 -15.480 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.152 -18.115 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.454 -17.223 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.457 -18.676 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.304 -18.288 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.156 -18.857 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.387 -20.226 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.104 -20.534 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.924 -22.156 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.279 -21.327 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.309 -21.341 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.758 -19.755 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.570 -20.486 -8.272 1.00 0.00 H new ATOM 943 N PRO A 64 2.248 -17.174 -4.588 1.00 0.00 N ATOM 944 CA PRO A 64 3.687 -16.913 -4.531 1.00 0.00 C ATOM 945 C PRO A 64 4.474 -17.908 -5.377 1.00 0.00 C ATOM 946 O PRO A 64 4.105 -19.060 -5.495 1.00 0.00 O ATOM 947 CB PRO A 64 4.064 -17.069 -3.041 1.00 0.00 C ATOM 948 CG PRO A 64 2.738 -17.284 -2.249 1.00 0.00 C ATOM 949 CD PRO A 64 1.618 -17.465 -3.285 1.00 0.00 C ATOM 0 HA PRO A 64 3.924 -15.924 -4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.737 -17.915 -2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.587 -16.183 -2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.812 -18.160 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.532 -16.430 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.217 -18.478 -3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.787 -16.788 -3.089 1.00 0.00 H new ATOM 957 N GLY A 65 5.549 -17.438 -5.952 1.00 0.00 N ATOM 958 CA GLY A 65 6.380 -18.335 -6.799 1.00 0.00 C ATOM 959 C GLY A 65 5.871 -18.311 -8.240 1.00 0.00 C ATOM 960 O GLY A 65 5.756 -19.339 -8.878 1.00 0.00 O ATOM 0 H GLY A 65 5.884 -16.478 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.422 -18.017 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.345 -19.352 -6.409 1.00 0.00 H new ATOM 964 N VAL A 66 5.576 -17.134 -8.724 1.00 0.00 N ATOM 965 CA VAL A 66 5.075 -17.026 -10.114 1.00 0.00 C ATOM 966 C VAL A 66 5.112 -15.575 -10.605 1.00 0.00 C ATOM 967 O VAL A 66 5.132 -14.644 -9.818 1.00 0.00 O ATOM 968 CB VAL A 66 3.616 -17.522 -10.126 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.696 -16.392 -9.659 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.224 -17.939 -11.546 1.00 0.00 C ATOM 0 H VAL A 66 5.661 -16.253 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 66 5.706 -17.622 -10.773 1.00 0.00 H new ATOM 0 HB VAL A 66 3.519 -18.378 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.662 -16.738 -9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.972 -16.093 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.798 -15.539 -10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.192 -18.289 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.320 -17.084 -12.216 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.881 -18.741 -11.884 1.00 0.00 H new ATOM 980 N ASP A 67 5.134 -15.417 -11.900 1.00 0.00 N ATOM 981 CA ASP A 67 5.170 -14.054 -12.478 1.00 0.00 C ATOM 982 C ASP A 67 3.909 -13.284 -12.112 1.00 0.00 C ATOM 983 O ASP A 67 2.834 -13.847 -12.056 1.00 0.00 O ATOM 984 CB ASP A 67 5.237 -14.183 -14.008 1.00 0.00 C ATOM 985 CG ASP A 67 5.828 -12.900 -14.597 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.817 -11.917 -13.875 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.253 -12.975 -15.738 1.00 0.00 O ATOM 0 H ASP A 67 5.128 -16.177 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 67 6.036 -13.520 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.850 -15.041 -14.286 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.241 -14.358 -14.414 1.00 0.00 H new ATOM 992 N TYR A 68 4.060 -12.010 -11.863 1.00 0.00 N ATOM 993 CA TYR A 68 2.882 -11.202 -11.501 1.00 0.00 C ATOM 994 C TYR A 68 3.003 -9.782 -12.041 1.00 0.00 C ATOM 995 O TYR A 68 4.045 -9.163 -11.938 1.00 0.00 O ATOM 996 CB TYR A 68 2.814 -11.141 -9.978 1.00 0.00 C ATOM 997 CG TYR A 68 1.578 -11.901 -9.490 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.317 -11.363 -9.639 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.712 -13.137 -8.896 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.795 -12.053 -9.199 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.602 -13.827 -8.457 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.660 -13.292 -8.605 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.770 -13.984 -8.167 1.00 0.00 O ATOM 0 H TYR A 68 4.946 -11.506 -11.897 1.00 0.00 H new ATOM 0 HA TYR A 68 1.988 -11.656 -11.928 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.715 -11.576 -9.546 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.770 -10.103 -9.647 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.198 -10.395 -10.103 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.694 -13.569 -8.773 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.777 -11.621 -9.320 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.722 -14.795 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.528 -14.919 -8.000 1.00 0.00 H new ATOM 1013 N THR A 69 1.927 -9.294 -12.610 1.00 0.00 N ATOM 1014 CA THR A 69 1.940 -7.915 -13.169 1.00 0.00 C ATOM 1015 C THR A 69 1.105 -6.987 -12.297 1.00 0.00 C ATOM 1016 O THR A 69 -0.008 -7.320 -11.931 1.00 0.00 O ATOM 1017 CB THR A 69 1.326 -7.959 -14.573 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.133 -9.332 -14.852 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.340 -7.491 -15.627 1.00 0.00 C ATOM 0 H THR A 69 1.044 -9.794 -12.709 1.00 0.00 H new ATOM 0 HA THR A 69 2.965 -7.545 -13.204 1.00 0.00 H new ATOM 0 HB THR A 69 0.429 -7.341 -14.604 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.738 -9.432 -15.743 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.882 -7.531 -16.615 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.645 -6.467 -15.409 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.214 -8.142 -15.606 1.00 0.00 H new ATOM 1027 N ILE A 70 1.659 -5.837 -11.977 1.00 0.00 N ATOM 1028 CA ILE A 70 0.910 -4.867 -11.123 1.00 0.00 C ATOM 1029 C ILE A 70 0.784 -3.512 -11.807 1.00 0.00 C ATOM 1030 O ILE A 70 1.558 -3.183 -12.683 1.00 0.00 O ATOM 1031 CB ILE A 70 1.685 -4.685 -9.818 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.061 -4.110 -10.114 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.860 -6.063 -9.156 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.095 -2.645 -9.679 1.00 0.00 C ATOM 0 H ILE A 70 2.588 -5.535 -12.269 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.092 -5.256 -10.942 1.00 0.00 H new ATOM 0 HB ILE A 70 1.140 -4.008 -9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.827 -4.677 -9.585 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.282 -4.191 -11.178 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.412 -5.951 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.881 -6.494 -8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.412 -6.721 -9.827 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.079 -2.226 -9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.338 -2.085 -10.228 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.892 -2.578 -8.610 1.00 0.00 H new ATOM 1046 N THR A 71 -0.192 -2.748 -11.393 1.00 0.00 N ATOM 1047 CA THR A 71 -0.379 -1.417 -12.009 1.00 0.00 C ATOM 1048 C THR A 71 -0.946 -0.426 -11.009 1.00 0.00 C ATOM 1049 O THR A 71 -1.953 -0.683 -10.379 1.00 0.00 O ATOM 1050 CB THR A 71 -1.359 -1.554 -13.178 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.799 -2.541 -14.020 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.373 -0.275 -14.034 1.00 0.00 C ATOM 0 H THR A 71 -0.859 -2.992 -10.661 1.00 0.00 H new ATOM 0 HA THR A 71 0.589 -1.050 -12.350 1.00 0.00 H new ATOM 0 HB THR A 71 -2.358 -1.770 -12.800 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.383 -2.680 -14.795 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.076 -0.396 -14.858 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.678 0.571 -13.418 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.375 -0.093 -14.433 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.280 0.698 -10.888 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.754 1.740 -9.931 1.00 0.00 C ATOM 1062 C VAL A 72 -1.346 2.938 -10.674 1.00 0.00 C ATOM 1063 O VAL A 72 -0.816 3.380 -11.677 1.00 0.00 O ATOM 1064 CB VAL A 72 0.449 2.210 -9.088 1.00 0.00 C ATOM 1065 CG1 VAL A 72 1.013 1.017 -8.312 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.533 2.755 -10.010 1.00 0.00 C ATOM 0 H VAL A 72 0.565 0.935 -11.408 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.531 1.314 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 72 0.128 2.989 -8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.864 1.342 -7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.242 0.612 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.335 0.247 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.384 3.087 -9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.854 1.972 -10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.137 3.596 -10.579 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.445 3.434 -10.159 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.112 4.604 -10.799 1.00 0.00 C ATOM 1078 C TYR A 73 -2.890 5.851 -9.972 1.00 0.00 C ATOM 1079 O TYR A 73 -2.955 5.798 -8.753 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.618 4.349 -10.824 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.013 3.450 -12.009 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.409 2.223 -12.206 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -6.016 3.845 -12.878 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.802 1.410 -13.250 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -6.407 3.029 -13.918 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.803 1.806 -14.112 1.00 0.00 C ATOM 1087 OH TYR A 73 -6.197 0.989 -15.152 1.00 0.00 O ATOM 0 H TYR A 73 -2.907 3.077 -9.323 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.703 4.737 -11.801 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.925 3.879 -9.890 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.149 5.299 -10.892 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.624 1.898 -11.539 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.497 4.802 -12.740 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.321 0.454 -13.393 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.193 3.351 -14.586 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.914 1.426 -15.657 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.647 6.955 -10.644 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.416 8.233 -9.910 1.00 0.00 C ATOM 1099 C ALA A 74 -3.436 9.291 -10.324 1.00 0.00 C ATOM 1100 O ALA A 74 -3.339 9.850 -11.400 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.008 8.739 -10.265 1.00 0.00 C ATOM 0 H ALA A 74 -2.600 7.021 -11.661 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.516 8.055 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.814 9.674 -9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.268 7.996 -9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.942 8.906 -11.340 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.403 9.548 -9.459 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.440 10.575 -9.793 1.00 0.00 C ATOM 1109 C VAL A 75 -5.556 11.614 -8.685 1.00 0.00 C ATOM 1110 O VAL A 75 -6.035 11.322 -7.606 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.797 9.868 -9.953 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.857 10.902 -10.361 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.673 8.796 -11.046 1.00 0.00 C ATOM 0 H VAL A 75 -4.512 9.095 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.151 11.080 -10.715 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.090 9.400 -9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.822 10.408 -10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.932 11.669 -9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.570 11.363 -11.306 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.630 8.288 -11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.390 9.267 -11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.911 8.071 -10.760 1.00 0.00 H new ATOM 1123 N THR A 76 -5.113 12.817 -8.981 1.00 0.00 N ATOM 1124 CA THR A 76 -5.179 13.909 -7.968 1.00 0.00 C ATOM 1125 C THR A 76 -6.146 15.003 -8.407 1.00 0.00 C ATOM 1126 O THR A 76 -7.334 14.774 -8.530 1.00 0.00 O ATOM 1127 CB THR A 76 -3.783 14.525 -7.832 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.479 15.050 -9.109 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.724 13.439 -7.600 1.00 0.00 C ATOM 0 H THR A 76 -4.711 13.083 -9.880 1.00 0.00 H new ATOM 0 HA THR A 76 -5.525 13.492 -7.022 1.00 0.00 H new ATOM 0 HB THR A 76 -3.777 15.244 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.591 15.464 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.742 13.903 -7.507 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.956 12.894 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.721 12.748 -8.443 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.883 5.783 -15.736 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.292 4.773 -14.860 1.00 0.00 C ATOM 1268 C PRO A 87 -0.010 4.193 -15.436 1.00 0.00 C ATOM 1269 O PRO A 87 0.343 4.444 -16.572 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.351 3.652 -14.779 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.549 4.078 -15.678 1.00 0.00 C ATOM 1272 CD PRO A 87 -3.163 5.394 -16.356 1.00 0.00 C ATOM 0 HA PRO A 87 -1.034 5.208 -13.894 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.934 2.704 -15.119 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.677 3.505 -13.749 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.763 3.311 -16.422 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.452 4.204 -15.081 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.057 5.266 -17.433 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.925 6.157 -16.199 1.00 0.00 H new ATOM 1280 N ILE A 88 0.658 3.419 -14.630 1.00 0.00 N ATOM 1281 CA ILE A 88 1.921 2.795 -15.080 1.00 0.00 C ATOM 1282 C ILE A 88 2.010 1.387 -14.519 1.00 0.00 C ATOM 1283 O ILE A 88 1.689 1.167 -13.367 1.00 0.00 O ATOM 1284 CB ILE A 88 3.093 3.620 -14.551 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.394 3.110 -15.160 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.165 3.456 -13.021 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.555 3.979 -14.665 1.00 0.00 C ATOM 0 H ILE A 88 0.379 3.193 -13.675 1.00 0.00 H new ATOM 0 HA ILE A 88 1.951 2.758 -16.169 1.00 0.00 H new ATOM 0 HB ILE A 88 2.951 4.668 -14.815 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.557 2.069 -14.880 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.338 3.142 -16.248 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.998 4.041 -12.631 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.235 3.807 -12.573 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.313 2.405 -12.774 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.489 3.619 -15.097 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.390 5.013 -14.967 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.613 3.924 -13.578 1.00 0.00 H new ATOM 1299 N SER A 89 2.441 0.455 -15.339 1.00 0.00 N ATOM 1300 CA SER A 89 2.549 -0.950 -14.854 1.00 0.00 C ATOM 1301 C SER A 89 3.925 -1.541 -15.112 1.00 0.00 C ATOM 1302 O SER A 89 4.662 -1.083 -15.965 1.00 0.00 O ATOM 1303 CB SER A 89 1.510 -1.796 -15.606 1.00 0.00 C ATOM 1304 OG SER A 89 2.126 -2.081 -16.854 1.00 0.00 O ATOM 0 H SER A 89 2.718 0.608 -16.309 1.00 0.00 H new ATOM 0 HA SER A 89 2.378 -0.954 -13.778 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.272 -2.710 -15.062 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.575 -1.252 -15.739 1.00 0.00 H new ATOM 0 HG SER A 89 1.522 -2.626 -17.400 1.00 0.00 H new ATOM 1310 N ILE A 90 4.236 -2.557 -14.357 1.00 0.00 N ATOM 1311 CA ILE A 90 5.545 -3.222 -14.507 1.00 0.00 C ATOM 1312 C ILE A 90 5.443 -4.675 -14.057 1.00 0.00 C ATOM 1313 O ILE A 90 4.665 -5.000 -13.172 1.00 0.00 O ATOM 1314 CB ILE A 90 6.572 -2.498 -13.624 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.005 -2.303 -12.221 1.00 0.00 C ATOM 1316 CG2 ILE A 90 6.861 -1.110 -14.228 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.031 -1.558 -11.364 1.00 0.00 C ATOM 0 H ILE A 90 3.630 -2.953 -13.639 1.00 0.00 H new ATOM 0 HA ILE A 90 5.852 -3.189 -15.552 1.00 0.00 H new ATOM 0 HB ILE A 90 7.484 -3.093 -13.573 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.073 -1.739 -12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.771 -3.269 -11.773 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.590 -0.588 -13.608 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.260 -1.228 -15.235 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.938 -0.532 -14.269 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.632 -1.416 -10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.951 -2.140 -11.309 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.242 -0.587 -11.812 1.00 0.00 H new ATOM 1329 N ASN A 91 6.215 -5.526 -14.673 1.00 0.00 N ATOM 1330 CA ASN A 91 6.171 -6.948 -14.294 1.00 0.00 C ATOM 1331 C ASN A 91 7.223 -7.269 -13.239 1.00 0.00 C ATOM 1332 O ASN A 91 8.208 -6.571 -13.106 1.00 0.00 O ATOM 1333 CB ASN A 91 6.469 -7.772 -15.546 1.00 0.00 C ATOM 1334 CG ASN A 91 7.482 -7.021 -16.414 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.123 -6.221 -17.257 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.755 -7.245 -16.239 1.00 0.00 N ATOM 0 H ASN A 91 6.870 -5.291 -15.419 1.00 0.00 H new ATOM 0 HA ASN A 91 5.189 -7.180 -13.881 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.864 -8.749 -15.267 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.551 -7.948 -16.107 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.443 -6.751 -16.807 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.063 -7.915 -15.534 1.00 0.00 H new ATOM 1343 N TYR A 92 6.991 -8.322 -12.502 1.00 0.00 N ATOM 1344 CA TYR A 92 7.962 -8.709 -11.450 1.00 0.00 C ATOM 1345 C TYR A 92 7.586 -10.059 -10.850 1.00 0.00 C ATOM 1346 O TYR A 92 6.426 -10.333 -10.610 1.00 0.00 O ATOM 1347 CB TYR A 92 7.942 -7.633 -10.345 1.00 0.00 C ATOM 1348 CG TYR A 92 8.775 -8.099 -9.135 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.090 -8.510 -9.291 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.225 -8.099 -7.868 1.00 0.00 C ATOM 1351 CE1 TYR A 92 10.832 -8.911 -8.199 1.00 0.00 C ATOM 1352 CE2 TYR A 92 8.971 -8.501 -6.779 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.279 -8.910 -6.936 1.00 0.00 C ATOM 1354 OH TYR A 92 11.021 -9.316 -5.846 1.00 0.00 O ATOM 0 H TYR A 92 6.173 -8.926 -12.586 1.00 0.00 H new ATOM 0 HA TYR A 92 8.958 -8.788 -11.886 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.342 -6.696 -10.732 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.915 -7.438 -10.036 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.537 -8.516 -10.274 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.202 -7.782 -7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.855 -9.229 -8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.527 -8.495 -5.795 1.00 0.00 H new ATOM 0 HH TYR A 92 10.474 -9.250 -5.035 1.00 0.00 H new ATOM 1364 N ARG A 93 8.574 -10.882 -10.622 1.00 0.00 N ATOM 1365 CA ARG A 93 8.290 -12.217 -10.040 1.00 0.00 C ATOM 1366 C ARG A 93 8.104 -12.135 -8.535 1.00 0.00 C ATOM 1367 O ARG A 93 9.005 -11.747 -7.818 1.00 0.00 O ATOM 1368 CB ARG A 93 9.478 -13.139 -10.340 1.00 0.00 C ATOM 1369 CG ARG A 93 9.716 -13.177 -11.851 1.00 0.00 C ATOM 1370 CD ARG A 93 11.155 -12.742 -12.145 1.00 0.00 C ATOM 1371 NE ARG A 93 11.315 -11.309 -11.775 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.707 -10.455 -12.680 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.986 -10.244 -12.835 1.00 0.00 N ATOM 1374 NH2 ARG A 93 10.808 -9.843 -13.399 1.00 0.00 N ATOM 0 H ARG A 93 9.557 -10.686 -10.813 1.00 0.00 H new ATOM 0 HA ARG A 93 7.370 -12.601 -10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.371 -12.780 -9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.278 -14.143 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.542 -14.183 -12.233 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.013 -12.517 -12.359 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.856 -13.357 -11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.383 -12.886 -13.201 1.00 0.00 H new ATOM 0 HE ARG A 93 11.120 -10.998 -10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.659 -10.743 -12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.312 -9.580 -13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.818 -10.035 -13.249 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.095 -9.172 -14.111 1.00 0.00 H new ATOM 1388 N THR A 94 6.923 -12.507 -8.084 1.00 0.00 N ATOM 1389 CA THR A 94 6.641 -12.463 -6.617 1.00 0.00 C ATOM 1390 C THR A 94 6.251 -13.842 -6.104 1.00 0.00 C ATOM 1391 O THR A 94 5.667 -14.567 -6.893 1.00 0.00 O ATOM 1392 CB THR A 94 5.480 -11.490 -6.368 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.009 -11.132 -7.651 1.00 0.00 O ATOM 1394 CG2 THR A 94 5.994 -10.171 -5.761 1.00 0.00 C ATOM 1395 OXT THR A 94 6.557 -14.097 -4.952 1.00 0.00 O ATOM 0 H THR A 94 6.153 -12.835 -8.666 1.00 0.00 H new ATOM 0 HA THR A 94 7.538 -12.135 -6.092 1.00 0.00 H new ATOM 0 HB THR A 94 4.744 -11.953 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.259 -10.507 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.155 -9.496 -5.593 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.490 -10.376 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.701 -9.706 -6.448 1.00 0.00 H new