USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=23 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 36 TYR OH : rot 180:sc= -0.0808 USER MOD Set 1.2: A 46 GLN : amide:sc= -0.0392 K(o=-0.12,f=-2.3!) USER MOD Set 2.1: A 14 THR OG1 : rot 40:sc= 0.574! USER MOD Set 2.2: A 17 SER OG : rot -87:sc= 0.319 USER MOD Single : A 16 THR OG1 : rot -26:sc= 0.0333 USER MOD Single : A 21 SER OG : rot -140:sc= -2.05 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.836 USER MOD Single : A 32 TYR OH : rot 30:sc= -0.405 USER MOD Single : A 35 THR OG1 : rot -10:sc= 0.371! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -1:sc= 0.943 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 71 THR OG1 : rot -151:sc= -1.39 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= -2.19! USER MOD Single : A 91 ASN : amide:sc= -1.04! C(o=-1!,f=-3.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.403 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.258 3.580 -5.506 1.00 0.00 N ATOM 109 CA LEU A 8 8.747 2.231 -5.920 1.00 0.00 C ATOM 110 C LEU A 8 9.720 1.123 -5.508 1.00 0.00 C ATOM 111 O LEU A 8 10.872 1.149 -5.894 1.00 0.00 O ATOM 112 CB LEU A 8 8.669 2.216 -7.462 1.00 0.00 C ATOM 113 CG LEU A 8 7.213 2.220 -7.925 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.167 2.609 -9.411 1.00 0.00 C ATOM 115 CD2 LEU A 8 6.615 0.810 -7.753 1.00 0.00 C ATOM 0 HA LEU A 8 7.781 2.058 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.188 3.085 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.177 1.333 -7.849 1.00 0.00 H new ATOM 0 HG LEU A 8 6.639 2.933 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.132 2.615 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.598 3.602 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.738 1.886 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.576 0.813 -8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.184 0.098 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.661 0.521 -6.703 1.00 0.00 H new ATOM 127 N GLU A 9 9.252 0.162 -4.735 1.00 0.00 N ATOM 128 CA GLU A 9 10.178 -0.939 -4.314 1.00 0.00 C ATOM 129 C GLU A 9 9.466 -2.029 -3.507 1.00 0.00 C ATOM 130 O GLU A 9 8.415 -1.805 -2.928 1.00 0.00 O ATOM 131 CB GLU A 9 11.280 -0.341 -3.412 1.00 0.00 C ATOM 132 CG GLU A 9 12.565 -1.148 -3.587 1.00 0.00 C ATOM 133 CD GLU A 9 13.510 -0.837 -2.428 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.230 0.136 -1.747 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.460 -1.588 -2.285 1.00 0.00 O ATOM 0 H GLU A 9 8.295 0.095 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 9 10.582 -1.387 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.454 0.703 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.963 -0.360 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.339 -2.214 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.039 -0.899 -4.536 1.00 0.00 H new ATOM 142 N VAL A 10 10.067 -3.202 -3.497 1.00 0.00 N ATOM 143 CA VAL A 10 9.480 -4.342 -2.741 1.00 0.00 C ATOM 144 C VAL A 10 9.997 -4.280 -1.304 1.00 0.00 C ATOM 145 O VAL A 10 11.175 -4.456 -1.067 1.00 0.00 O ATOM 146 CB VAL A 10 9.962 -5.654 -3.388 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.890 -6.730 -3.204 1.00 0.00 C ATOM 148 CG2 VAL A 10 10.196 -5.427 -4.883 1.00 0.00 C ATOM 0 H VAL A 10 10.939 -3.410 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 10 8.391 -4.295 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 10 10.891 -5.974 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.227 -7.661 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.714 -6.890 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.964 -6.407 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.537 -6.354 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.265 -5.110 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.953 -4.654 -5.020 1.00 0.00 H new ATOM 158 N VAL A 11 9.123 -4.032 -0.370 1.00 0.00 N ATOM 159 CA VAL A 11 9.587 -3.957 1.045 1.00 0.00 C ATOM 160 C VAL A 11 9.959 -5.325 1.601 1.00 0.00 C ATOM 161 O VAL A 11 11.121 -5.615 1.808 1.00 0.00 O ATOM 162 CB VAL A 11 8.457 -3.344 1.888 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.060 -2.608 3.085 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.688 -2.347 1.029 1.00 0.00 C ATOM 0 H VAL A 11 8.125 -3.880 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 11 10.485 -3.341 1.085 1.00 0.00 H new ATOM 0 HB VAL A 11 7.790 -4.131 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.261 -2.172 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.629 -3.310 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.720 -1.817 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.883 -1.905 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.364 -1.561 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.267 -2.860 0.165 1.00 0.00 H new ATOM 174 N ALA A 12 8.979 -6.134 1.834 1.00 0.00 N ATOM 175 CA ALA A 12 9.262 -7.488 2.379 1.00 0.00 C ATOM 176 C ALA A 12 8.273 -8.511 1.840 1.00 0.00 C ATOM 177 O ALA A 12 7.346 -8.166 1.131 1.00 0.00 O ATOM 178 CB ALA A 12 9.130 -7.428 3.908 1.00 0.00 C ATOM 0 H ALA A 12 7.994 -5.923 1.673 1.00 0.00 H new ATOM 0 HA ALA A 12 10.266 -7.789 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.334 -8.412 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.844 -6.707 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.118 -7.122 4.174 1.00 0.00 H new ATOM 184 N ALA A 13 8.491 -9.755 2.188 1.00 0.00 N ATOM 185 CA ALA A 13 7.580 -10.830 1.712 1.00 0.00 C ATOM 186 C ALA A 13 7.187 -11.759 2.852 1.00 0.00 C ATOM 187 O ALA A 13 7.958 -11.992 3.763 1.00 0.00 O ATOM 188 CB ALA A 13 8.317 -11.652 0.643 1.00 0.00 C ATOM 0 H ALA A 13 9.260 -10.068 2.780 1.00 0.00 H new ATOM 0 HA ALA A 13 6.677 -10.373 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.664 -12.447 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.594 -11.003 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.216 -12.090 1.077 1.00 0.00 H new ATOM 194 N THR A 14 5.990 -12.274 2.776 1.00 0.00 N ATOM 195 CA THR A 14 5.511 -13.192 3.835 1.00 0.00 C ATOM 196 C THR A 14 4.660 -14.304 3.199 1.00 0.00 C ATOM 197 O THR A 14 4.188 -14.157 2.088 1.00 0.00 O ATOM 198 CB THR A 14 4.654 -12.378 4.820 1.00 0.00 C ATOM 199 OG1 THR A 14 4.427 -11.140 4.179 1.00 0.00 O ATOM 200 CG2 THR A 14 5.462 -12.007 6.077 1.00 0.00 C ATOM 0 H THR A 14 5.326 -12.095 2.023 1.00 0.00 H new ATOM 0 HA THR A 14 6.352 -13.647 4.357 1.00 0.00 H new ATOM 0 HB THR A 14 3.764 -12.947 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.268 -11.291 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.833 -11.432 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.798 -12.916 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.327 -11.409 5.790 1.00 0.00 H new ATOM 208 N PRO A 15 4.468 -15.403 3.914 1.00 0.00 N ATOM 209 CA PRO A 15 3.676 -16.513 3.391 1.00 0.00 C ATOM 210 C PRO A 15 2.281 -16.068 2.948 1.00 0.00 C ATOM 211 O PRO A 15 1.432 -15.781 3.763 1.00 0.00 O ATOM 212 CB PRO A 15 3.559 -17.510 4.564 1.00 0.00 C ATOM 213 CG PRO A 15 4.363 -16.915 5.762 1.00 0.00 C ATOM 214 CD PRO A 15 4.994 -15.599 5.277 1.00 0.00 C ATOM 0 HA PRO A 15 4.150 -16.944 2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.515 -17.659 4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.957 -18.485 4.281 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.708 -16.736 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.133 -17.612 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.723 -14.768 5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.082 -15.660 5.275 1.00 0.00 H new ATOM 222 N THR A 16 2.086 -16.020 1.649 1.00 0.00 N ATOM 223 CA THR A 16 0.761 -15.602 1.096 1.00 0.00 C ATOM 224 C THR A 16 0.518 -14.097 1.263 1.00 0.00 C ATOM 225 O THR A 16 -0.471 -13.577 0.789 1.00 0.00 O ATOM 226 CB THR A 16 -0.351 -16.419 1.811 1.00 0.00 C ATOM 227 OG1 THR A 16 -1.188 -16.871 0.768 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.280 -15.541 2.685 1.00 0.00 C ATOM 0 H THR A 16 2.790 -16.253 0.949 1.00 0.00 H new ATOM 0 HA THR A 16 0.747 -15.803 0.025 1.00 0.00 H new ATOM 0 HB THR A 16 0.119 -17.179 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.116 -16.262 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.035 -16.169 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.691 -15.041 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.769 -14.794 2.060 1.00 0.00 H new ATOM 236 N SER A 17 1.439 -13.424 1.914 1.00 0.00 N ATOM 237 CA SER A 17 1.276 -11.953 2.120 1.00 0.00 C ATOM 238 C SER A 17 2.544 -11.207 1.712 1.00 0.00 C ATOM 239 O SER A 17 3.638 -11.632 2.019 1.00 0.00 O ATOM 240 CB SER A 17 1.004 -11.699 3.609 1.00 0.00 C ATOM 241 OG SER A 17 1.948 -10.703 3.971 1.00 0.00 O ATOM 0 H SER A 17 2.289 -13.828 2.308 1.00 0.00 H new ATOM 0 HA SER A 17 0.449 -11.595 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.018 -11.358 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.137 -12.606 4.198 1.00 0.00 H new ATOM 0 HG SER A 17 2.788 -11.131 4.239 1.00 0.00 H new ATOM 247 N LEU A 18 2.365 -10.109 1.014 1.00 0.00 N ATOM 248 CA LEU A 18 3.540 -9.306 0.568 1.00 0.00 C ATOM 249 C LEU A 18 3.348 -7.829 0.908 1.00 0.00 C ATOM 250 O LEU A 18 2.234 -7.361 1.032 1.00 0.00 O ATOM 251 CB LEU A 18 3.664 -9.446 -0.964 1.00 0.00 C ATOM 252 CG LEU A 18 5.126 -9.250 -1.382 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.840 -10.603 -1.372 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.168 -8.672 -2.801 1.00 0.00 C ATOM 0 H LEU A 18 1.456 -9.738 0.736 1.00 0.00 H new ATOM 0 HA LEU A 18 4.435 -9.669 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.314 -10.429 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.032 -8.709 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 18 5.619 -8.569 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.880 -10.468 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.801 -11.027 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.348 -11.279 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.205 -8.530 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.679 -9.361 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.650 -7.713 -2.819 1.00 0.00 H new ATOM 266 N LEU A 19 4.445 -7.128 1.062 1.00 0.00 N ATOM 267 CA LEU A 19 4.369 -5.673 1.392 1.00 0.00 C ATOM 268 C LEU A 19 4.988 -4.878 0.249 1.00 0.00 C ATOM 269 O LEU A 19 6.147 -5.076 -0.082 1.00 0.00 O ATOM 270 CB LEU A 19 5.163 -5.434 2.695 1.00 0.00 C ATOM 271 CG LEU A 19 5.124 -3.946 3.069 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.671 -3.499 3.258 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.880 -3.744 4.387 1.00 0.00 C ATOM 0 H LEU A 19 5.390 -7.502 0.973 1.00 0.00 H new ATOM 0 HA LEU A 19 3.335 -5.356 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.740 -6.031 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.196 -5.758 2.566 1.00 0.00 H new ATOM 0 HG LEU A 19 5.586 -3.360 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.647 -2.442 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.119 -3.653 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.211 -4.084 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.858 -2.689 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.406 -4.333 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.914 -4.066 4.266 1.00 0.00 H new ATOM 285 N ILE A 20 4.209 -3.981 -0.332 1.00 0.00 N ATOM 286 CA ILE A 20 4.752 -3.171 -1.466 1.00 0.00 C ATOM 287 C ILE A 20 4.655 -1.665 -1.256 1.00 0.00 C ATOM 288 O ILE A 20 3.888 -1.177 -0.449 1.00 0.00 O ATOM 289 CB ILE A 20 3.934 -3.521 -2.725 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.440 -3.258 -2.494 1.00 0.00 C ATOM 291 CG2 ILE A 20 4.110 -5.014 -3.025 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.812 -2.764 -3.802 1.00 0.00 C ATOM 0 H ILE A 20 3.243 -3.783 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 20 5.811 -3.414 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 20 4.286 -2.904 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.945 -4.169 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.306 -2.515 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.536 -5.277 -3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.165 -5.229 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.754 -5.600 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.750 -2.575 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.303 -1.843 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.936 -3.523 -4.575 1.00 0.00 H new ATOM 304 N SER A 21 5.460 -0.972 -2.012 1.00 0.00 N ATOM 305 CA SER A 21 5.497 0.504 -1.945 1.00 0.00 C ATOM 306 C SER A 21 5.489 1.022 -3.373 1.00 0.00 C ATOM 307 O SER A 21 6.137 0.440 -4.222 1.00 0.00 O ATOM 308 CB SER A 21 6.797 0.932 -1.257 1.00 0.00 C ATOM 309 OG SER A 21 6.991 -0.049 -0.252 1.00 0.00 O ATOM 0 H SER A 21 6.106 -1.382 -2.687 1.00 0.00 H new ATOM 0 HA SER A 21 4.647 0.897 -1.388 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.631 0.955 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.712 1.931 -0.829 1.00 0.00 H new ATOM 0 HG SER A 21 7.321 0.380 0.565 1.00 0.00 H new ATOM 315 N TRP A 22 4.769 2.097 -3.635 1.00 0.00 N ATOM 316 CA TRP A 22 4.748 2.618 -5.047 1.00 0.00 C ATOM 317 C TRP A 22 5.193 4.077 -5.181 1.00 0.00 C ATOM 318 O TRP A 22 5.732 4.665 -4.269 1.00 0.00 O ATOM 319 CB TRP A 22 3.311 2.503 -5.566 1.00 0.00 C ATOM 320 CG TRP A 22 2.350 3.191 -4.583 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.230 4.507 -4.482 1.00 0.00 C ATOM 322 CD2 TRP A 22 1.491 2.572 -3.795 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.231 4.666 -3.597 1.00 0.00 N ATOM 324 CE2 TRP A 22 0.710 3.488 -3.110 1.00 0.00 C ATOM 325 CE3 TRP A 22 1.301 1.218 -3.566 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.246 3.062 -2.214 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.341 0.795 -2.665 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.431 1.718 -1.992 1.00 0.00 C ATOM 0 H TRP A 22 4.214 2.620 -2.958 1.00 0.00 H new ATOM 0 HA TRP A 22 5.458 2.022 -5.621 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.231 2.964 -6.551 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.039 1.454 -5.682 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.800 5.271 -4.990 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.888 5.583 -3.310 1.00 0.00 H new ATOM 0 HE3 TRP A 22 1.904 0.492 -4.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.850 3.784 -1.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.196 -0.260 -2.488 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -1.181 1.385 -1.290 1.00 0.00 H new ATOM 415 N VAL A 29 -2.141 12.750 -5.883 1.00 0.00 N ATOM 416 CA VAL A 29 -3.051 11.632 -6.226 1.00 0.00 C ATOM 417 C VAL A 29 -4.222 11.542 -5.260 1.00 0.00 C ATOM 418 O VAL A 29 -4.058 11.141 -4.125 1.00 0.00 O ATOM 419 CB VAL A 29 -2.249 10.337 -6.131 1.00 0.00 C ATOM 420 CG1 VAL A 29 -2.898 9.288 -7.014 1.00 0.00 C ATOM 421 CG2 VAL A 29 -0.822 10.593 -6.618 1.00 0.00 C ATOM 0 HA VAL A 29 -3.449 11.797 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.227 9.989 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.331 8.359 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.920 9.112 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.910 9.638 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.244 9.671 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.846 10.933 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.357 11.358 -5.996 1.00 0.00 H new ATOM 431 N ARG A 30 -5.392 11.915 -5.720 1.00 0.00 N ATOM 432 CA ARG A 30 -6.562 11.843 -4.822 1.00 0.00 C ATOM 433 C ARG A 30 -6.726 10.414 -4.332 1.00 0.00 C ATOM 434 O ARG A 30 -6.595 10.149 -3.153 1.00 0.00 O ATOM 435 CB ARG A 30 -7.821 12.272 -5.600 1.00 0.00 C ATOM 436 CG ARG A 30 -8.845 12.874 -4.627 1.00 0.00 C ATOM 437 CD ARG A 30 -9.974 13.516 -5.426 1.00 0.00 C ATOM 438 NE ARG A 30 -9.697 14.973 -5.556 1.00 0.00 N ATOM 439 CZ ARG A 30 -10.514 15.832 -5.013 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.405 16.091 -3.738 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.413 16.407 -5.763 1.00 0.00 N ATOM 0 H ARG A 30 -5.576 12.259 -6.663 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.419 12.505 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.557 13.003 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.253 11.414 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.242 12.099 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.366 13.617 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.049 13.056 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.929 13.356 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.875 15.297 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.689 15.624 -3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.036 16.760 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.468 16.182 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.061 17.082 -5.356 1.00 0.00 H new ATOM 455 N TYR A 31 -7.017 9.509 -5.251 1.00 0.00 N ATOM 456 CA TYR A 31 -7.186 8.080 -4.847 1.00 0.00 C ATOM 457 C TYR A 31 -6.307 7.194 -5.694 1.00 0.00 C ATOM 458 O TYR A 31 -6.053 7.474 -6.863 1.00 0.00 O ATOM 459 CB TYR A 31 -8.643 7.611 -5.037 1.00 0.00 C ATOM 460 CG TYR A 31 -9.557 8.779 -5.348 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.656 9.260 -6.631 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.334 9.338 -4.360 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.526 10.287 -6.929 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.205 10.364 -4.651 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.308 10.848 -5.940 1.00 0.00 C ATOM 466 OH TYR A 31 -12.180 11.875 -6.235 1.00 0.00 O ATOM 0 H TYR A 31 -7.141 9.701 -6.245 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.912 8.009 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.691 6.882 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.987 7.107 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.047 8.830 -7.413 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.260 8.969 -3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.596 10.655 -7.942 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.811 10.793 -3.867 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.651 12.148 -5.420 1.00 0.00 H new ATOM 476 N TYR A 32 -5.855 6.142 -5.087 1.00 0.00 N ATOM 477 CA TYR A 32 -4.987 5.190 -5.797 1.00 0.00 C ATOM 478 C TYR A 32 -5.726 3.892 -6.029 1.00 0.00 C ATOM 479 O TYR A 32 -6.305 3.349 -5.114 1.00 0.00 O ATOM 480 CB TYR A 32 -3.783 4.893 -4.893 1.00 0.00 C ATOM 481 CG TYR A 32 -2.554 5.633 -5.403 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.057 5.381 -6.660 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.904 6.546 -4.597 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.928 6.029 -7.104 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.781 7.189 -5.039 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.283 6.938 -6.293 1.00 0.00 C ATOM 487 OH TYR A 32 0.836 7.590 -6.727 1.00 0.00 O ATOM 0 H TYR A 32 -6.055 5.902 -4.116 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.680 5.612 -6.754 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.002 5.197 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.589 3.821 -4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.556 4.670 -7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.286 6.754 -3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.545 5.825 -8.093 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.282 7.900 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 32 0.795 7.697 -7.700 1.00 0.00 H new ATOM 497 N ARG A 33 -5.700 3.419 -7.243 1.00 0.00 N ATOM 498 CA ARG A 33 -6.401 2.145 -7.552 1.00 0.00 C ATOM 499 C ARG A 33 -5.358 1.117 -7.923 1.00 0.00 C ATOM 500 O ARG A 33 -4.827 1.117 -9.013 1.00 0.00 O ATOM 501 CB ARG A 33 -7.405 2.384 -8.715 1.00 0.00 C ATOM 502 CG ARG A 33 -7.566 1.107 -9.561 1.00 0.00 C ATOM 503 CD ARG A 33 -8.898 1.173 -10.312 1.00 0.00 C ATOM 504 NE ARG A 33 -8.909 0.117 -11.363 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.988 -0.070 -12.074 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.083 -0.451 -11.473 1.00 0.00 N ATOM 507 NH2 ARG A 33 -9.935 0.129 -13.362 1.00 0.00 N ATOM 0 H ARG A 33 -5.225 3.858 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.966 1.784 -6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.372 2.684 -8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.054 3.202 -9.344 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.740 1.016 -10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.538 0.225 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.728 1.027 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.028 2.156 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.080 -0.455 -11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.086 -0.598 -10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.935 -0.602 -12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.061 0.425 -13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.767 -0.012 -13.934 1.00 0.00 H new ATOM 521 N ILE A 34 -5.064 0.270 -6.981 1.00 0.00 N ATOM 522 CA ILE A 34 -4.053 -0.776 -7.234 1.00 0.00 C ATOM 523 C ILE A 34 -4.684 -2.064 -7.725 1.00 0.00 C ATOM 524 O ILE A 34 -5.550 -2.621 -7.080 1.00 0.00 O ATOM 525 CB ILE A 34 -3.320 -1.047 -5.921 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.573 0.216 -5.485 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.292 -2.170 -6.152 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.809 0.472 -3.990 1.00 0.00 C ATOM 0 H ILE A 34 -5.481 0.260 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.371 -0.426 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.037 -1.337 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.506 0.104 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.915 1.071 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.761 -2.374 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.807 -3.072 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.579 -1.859 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.275 1.372 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.875 0.604 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.445 -0.378 -3.413 1.00 0.00 H new ATOM 540 N THR A 35 -4.231 -2.509 -8.873 1.00 0.00 N ATOM 541 CA THR A 35 -4.773 -3.763 -9.456 1.00 0.00 C ATOM 542 C THR A 35 -3.641 -4.729 -9.735 1.00 0.00 C ATOM 543 O THR A 35 -2.617 -4.335 -10.260 1.00 0.00 O ATOM 544 CB THR A 35 -5.473 -3.437 -10.786 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.432 -3.298 -11.732 1.00 0.00 O ATOM 546 CG2 THR A 35 -6.144 -2.051 -10.746 1.00 0.00 C ATOM 0 H THR A 35 -3.507 -2.052 -9.428 1.00 0.00 H new ATOM 0 HA THR A 35 -5.476 -4.210 -8.754 1.00 0.00 H new ATOM 0 HB THR A 35 -6.213 -4.207 -11.003 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.569 -3.277 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.629 -1.854 -11.702 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.889 -2.030 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.390 -1.287 -10.557 1.00 0.00 H new ATOM 554 N TYR A 36 -3.834 -5.978 -9.373 1.00 0.00 N ATOM 555 CA TYR A 36 -2.766 -6.975 -9.616 1.00 0.00 C ATOM 556 C TYR A 36 -3.340 -8.194 -10.306 1.00 0.00 C ATOM 557 O TYR A 36 -4.527 -8.458 -10.211 1.00 0.00 O ATOM 558 CB TYR A 36 -2.164 -7.386 -8.261 1.00 0.00 C ATOM 559 CG TYR A 36 -3.251 -8.001 -7.376 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.208 -7.203 -6.779 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.277 -9.360 -7.148 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.175 -7.760 -5.966 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.243 -9.915 -6.336 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.199 -9.120 -5.738 1.00 0.00 C ATOM 565 OH TYR A 36 -6.165 -9.678 -4.926 1.00 0.00 O ATOM 0 H TYR A 36 -4.678 -6.337 -8.926 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.997 -6.542 -10.255 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.357 -8.103 -8.414 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.729 -6.517 -7.767 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.200 -6.137 -6.949 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.535 -9.995 -7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.918 -7.126 -5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.252 -10.982 -6.166 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.032 -10.648 -4.878 1.00 0.00 H new ATOM 575 N GLY A 37 -2.499 -8.905 -11.010 1.00 0.00 N ATOM 576 CA GLY A 37 -2.989 -10.117 -11.719 1.00 0.00 C ATOM 577 C GLY A 37 -1.828 -10.884 -12.361 1.00 0.00 C ATOM 578 O GLY A 37 -0.818 -10.308 -12.724 1.00 0.00 O ATOM 0 H GLY A 37 -1.506 -8.700 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.514 -10.765 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.707 -9.828 -12.486 1.00 0.00 H new ATOM 582 N GLU A 38 -2.004 -12.172 -12.485 1.00 0.00 N ATOM 583 CA GLU A 38 -0.941 -13.004 -13.094 1.00 0.00 C ATOM 584 C GLU A 38 -1.075 -13.021 -14.614 1.00 0.00 C ATOM 585 O GLU A 38 -2.160 -13.161 -15.143 1.00 0.00 O ATOM 586 CB GLU A 38 -1.108 -14.439 -12.571 1.00 0.00 C ATOM 587 CG GLU A 38 0.162 -15.232 -12.866 1.00 0.00 C ATOM 588 CD GLU A 38 -0.158 -16.729 -12.844 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.023 -17.085 -12.060 1.00 0.00 O ATOM 590 OE2 GLU A 38 0.478 -17.431 -13.611 1.00 0.00 O ATOM 0 H GLU A 38 -2.839 -12.678 -12.190 1.00 0.00 H new ATOM 0 HA GLU A 38 0.035 -12.595 -12.833 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.303 -14.428 -11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.966 -14.914 -13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.563 -14.949 -13.839 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.928 -15.002 -12.126 1.00 0.00 H new ATOM 597 N THR A 39 0.032 -12.880 -15.290 1.00 0.00 N ATOM 598 CA THR A 39 -0.015 -12.886 -16.774 1.00 0.00 C ATOM 599 C THR A 39 -0.909 -14.011 -17.286 1.00 0.00 C ATOM 600 O THR A 39 -0.544 -15.168 -17.238 1.00 0.00 O ATOM 601 CB THR A 39 1.410 -13.102 -17.297 1.00 0.00 C ATOM 602 OG1 THR A 39 2.041 -11.843 -17.195 1.00 0.00 O ATOM 603 CG2 THR A 39 1.401 -13.407 -18.801 1.00 0.00 C ATOM 0 H THR A 39 0.959 -12.762 -14.881 1.00 0.00 H new ATOM 0 HA THR A 39 -0.422 -11.937 -17.124 1.00 0.00 H new ATOM 0 HB THR A 39 1.885 -13.913 -16.746 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.965 -11.913 -17.515 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.423 -13.556 -19.148 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.820 -14.310 -18.986 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.954 -12.571 -19.339 1.00 0.00 H new ATOM 664 N VAL A 45 -6.461 -10.187 -11.470 1.00 0.00 N ATOM 665 CA VAL A 45 -7.034 -10.874 -10.281 1.00 0.00 C ATOM 666 C VAL A 45 -8.022 -9.991 -9.537 1.00 0.00 C ATOM 667 O VAL A 45 -9.214 -10.217 -9.580 1.00 0.00 O ATOM 668 CB VAL A 45 -5.877 -11.238 -9.331 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.435 -11.568 -7.948 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.142 -12.455 -9.884 1.00 0.00 C ATOM 0 HA VAL A 45 -7.569 -11.762 -10.619 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.190 -10.396 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.616 -11.825 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.968 -10.702 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.120 -12.412 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.321 -12.719 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.833 -13.295 -9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.746 -12.223 -10.872 1.00 0.00 H new ATOM 680 N GLN A 46 -7.512 -9.008 -8.869 1.00 0.00 N ATOM 681 CA GLN A 46 -8.418 -8.096 -8.109 1.00 0.00 C ATOM 682 C GLN A 46 -7.759 -6.745 -7.869 1.00 0.00 C ATOM 683 O GLN A 46 -6.576 -6.580 -8.094 1.00 0.00 O ATOM 684 CB GLN A 46 -8.719 -8.745 -6.742 1.00 0.00 C ATOM 685 CG GLN A 46 -10.138 -8.378 -6.294 1.00 0.00 C ATOM 686 CD GLN A 46 -10.260 -8.602 -4.783 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.318 -8.999 -4.126 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.400 -8.362 -4.194 1.00 0.00 N ATOM 0 H GLN A 46 -6.517 -8.790 -8.810 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.330 -7.941 -8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.619 -9.828 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.995 -8.406 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.352 -7.338 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.869 -8.987 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.195 -8.029 -4.739 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.495 -8.508 -3.189 1.00 0.00 H new ATOM 697 N GLU A 47 -8.540 -5.797 -7.418 1.00 0.00 N ATOM 698 CA GLU A 47 -7.980 -4.450 -7.154 1.00 0.00 C ATOM 699 C GLU A 47 -8.635 -3.816 -5.928 1.00 0.00 C ATOM 700 O GLU A 47 -9.553 -4.370 -5.356 1.00 0.00 O ATOM 701 CB GLU A 47 -8.254 -3.557 -8.381 1.00 0.00 C ATOM 702 CG GLU A 47 -9.764 -3.508 -8.657 1.00 0.00 C ATOM 703 CD GLU A 47 -10.326 -2.161 -8.188 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.833 -1.693 -7.177 1.00 0.00 O ATOM 705 OE2 GLU A 47 -11.217 -1.680 -8.870 1.00 0.00 O ATOM 0 H GLU A 47 -9.536 -5.902 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.910 -4.543 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.874 -2.551 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.728 -3.947 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.954 -3.643 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.266 -4.324 -8.138 1.00 0.00 H new ATOM 712 N PHE A 48 -8.143 -2.665 -5.547 1.00 0.00 N ATOM 713 CA PHE A 48 -8.723 -1.978 -4.362 1.00 0.00 C ATOM 714 C PHE A 48 -8.313 -0.510 -4.328 1.00 0.00 C ATOM 715 O PHE A 48 -7.161 -0.181 -4.537 1.00 0.00 O ATOM 716 CB PHE A 48 -8.204 -2.671 -3.090 1.00 0.00 C ATOM 717 CG PHE A 48 -6.671 -2.738 -3.114 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.019 -3.726 -3.833 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.917 -1.830 -2.386 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.640 -3.809 -3.818 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.537 -1.918 -2.375 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.903 -2.906 -3.090 1.00 0.00 C ATOM 0 H PHE A 48 -7.372 -2.177 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.810 -2.033 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.538 -2.126 -2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.619 -3.677 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.593 -4.437 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.410 -1.050 -1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.140 -4.585 -4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.956 -1.209 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.825 -2.973 -3.080 1.00 0.00 H new ATOM 732 N THR A 49 -9.267 0.350 -4.064 1.00 0.00 N ATOM 733 CA THR A 49 -8.945 1.797 -4.014 1.00 0.00 C ATOM 734 C THR A 49 -8.482 2.212 -2.626 1.00 0.00 C ATOM 735 O THR A 49 -8.667 1.498 -1.661 1.00 0.00 O ATOM 736 CB THR A 49 -10.201 2.597 -4.369 1.00 0.00 C ATOM 737 OG1 THR A 49 -11.213 2.105 -3.514 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.692 2.260 -5.786 1.00 0.00 C ATOM 0 H THR A 49 -10.242 0.110 -3.884 1.00 0.00 H new ATOM 0 HA THR A 49 -8.141 1.994 -4.723 1.00 0.00 H new ATOM 0 HB THR A 49 -9.991 3.663 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 49 -12.051 2.582 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.585 2.843 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.912 2.500 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.928 1.198 -5.846 1.00 0.00 H new ATOM 746 N VAL A 50 -7.885 3.369 -2.557 1.00 0.00 N ATOM 747 CA VAL A 50 -7.393 3.873 -1.255 1.00 0.00 C ATOM 748 C VAL A 50 -7.145 5.411 -1.364 1.00 0.00 C ATOM 749 O VAL A 50 -6.648 5.867 -2.377 1.00 0.00 O ATOM 750 CB VAL A 50 -6.051 3.156 -0.955 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.024 3.561 -2.005 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.537 3.558 0.430 1.00 0.00 C ATOM 0 H VAL A 50 -7.718 3.986 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.118 3.682 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.208 2.078 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.078 3.061 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.381 3.272 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.878 4.641 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.594 3.049 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.381 4.636 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.270 3.276 1.186 1.00 0.00 H new ATOM 762 N PRO A 51 -7.523 6.199 -0.333 1.00 0.00 N ATOM 763 CA PRO A 51 -7.313 7.660 -0.377 1.00 0.00 C ATOM 764 C PRO A 51 -5.826 8.059 -0.510 1.00 0.00 C ATOM 765 O PRO A 51 -5.451 9.155 -0.144 1.00 0.00 O ATOM 766 CB PRO A 51 -7.853 8.179 0.974 1.00 0.00 C ATOM 767 CG PRO A 51 -8.379 6.951 1.775 1.00 0.00 C ATOM 768 CD PRO A 51 -8.215 5.713 0.881 1.00 0.00 C ATOM 0 HA PRO A 51 -7.814 8.081 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.067 8.690 1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.652 8.903 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.820 6.831 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.425 7.091 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.633 4.940 1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.182 5.275 0.634 1.00 0.00 H new ATOM 776 N GLY A 52 -5.015 7.175 -1.027 1.00 0.00 N ATOM 777 CA GLY A 52 -3.565 7.507 -1.180 1.00 0.00 C ATOM 778 C GLY A 52 -2.995 8.062 0.126 1.00 0.00 C ATOM 779 O GLY A 52 -1.903 8.596 0.151 1.00 0.00 O ATOM 0 H GLY A 52 -5.288 6.246 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.012 6.615 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.437 8.238 -1.978 1.00 0.00 H new ATOM 783 N SER A 53 -3.742 7.927 1.187 1.00 0.00 N ATOM 784 CA SER A 53 -3.250 8.441 2.483 1.00 0.00 C ATOM 785 C SER A 53 -1.951 7.752 2.842 1.00 0.00 C ATOM 786 O SER A 53 -1.144 8.276 3.585 1.00 0.00 O ATOM 787 CB SER A 53 -4.295 8.123 3.561 1.00 0.00 C ATOM 788 OG SER A 53 -4.704 9.395 4.039 1.00 0.00 O ATOM 0 H SER A 53 -4.662 7.487 1.208 1.00 0.00 H new ATOM 0 HA SER A 53 -3.084 9.516 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.135 7.564 3.148 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.870 7.516 4.360 1.00 0.00 H new ATOM 0 HG SER A 53 -5.381 9.280 4.738 1.00 0.00 H new ATOM 794 N LYS A 54 -1.781 6.574 2.297 1.00 0.00 N ATOM 795 CA LYS A 54 -0.548 5.791 2.568 1.00 0.00 C ATOM 796 C LYS A 54 0.190 5.493 1.269 1.00 0.00 C ATOM 797 O LYS A 54 -0.394 5.017 0.314 1.00 0.00 O ATOM 798 CB LYS A 54 -0.959 4.464 3.219 1.00 0.00 C ATOM 799 CG LYS A 54 -1.789 4.755 4.469 1.00 0.00 C ATOM 800 CD LYS A 54 -1.273 3.901 5.626 1.00 0.00 C ATOM 801 CE LYS A 54 -2.249 4.003 6.799 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.149 2.816 6.833 1.00 0.00 N ATOM 0 H LYS A 54 -2.450 6.123 1.673 1.00 0.00 H new ATOM 0 HA LYS A 54 0.110 6.363 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.536 3.863 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.074 3.884 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.724 5.813 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.840 4.537 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.172 2.863 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.283 4.240 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.695 4.074 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.841 4.914 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.805 2.901 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.690 2.765 5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.580 1.952 6.941 1.00 0.00 H new ATOM 816 N SER A 55 1.460 5.778 1.253 1.00 0.00 N ATOM 817 CA SER A 55 2.252 5.519 0.025 1.00 0.00 C ATOM 818 C SER A 55 2.633 4.047 -0.080 1.00 0.00 C ATOM 819 O SER A 55 3.140 3.596 -1.099 1.00 0.00 O ATOM 820 CB SER A 55 3.527 6.353 0.103 1.00 0.00 C ATOM 821 OG SER A 55 3.105 7.582 0.678 1.00 0.00 O ATOM 0 H SER A 55 1.981 6.177 2.034 1.00 0.00 H new ATOM 0 HA SER A 55 1.656 5.783 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.285 5.866 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.965 6.504 -0.884 1.00 0.00 H new ATOM 0 HG SER A 55 3.874 8.183 0.766 1.00 0.00 H new ATOM 827 N THR A 56 2.387 3.332 0.976 1.00 0.00 N ATOM 828 CA THR A 56 2.715 1.889 0.987 1.00 0.00 C ATOM 829 C THR A 56 1.611 1.116 1.692 1.00 0.00 C ATOM 830 O THR A 56 0.905 1.660 2.517 1.00 0.00 O ATOM 831 CB THR A 56 4.023 1.699 1.758 1.00 0.00 C ATOM 832 OG1 THR A 56 3.689 1.904 3.116 1.00 0.00 O ATOM 833 CG2 THR A 56 5.013 2.825 1.431 1.00 0.00 C ATOM 0 H THR A 56 1.970 3.689 1.836 1.00 0.00 H new ATOM 0 HA THR A 56 2.814 1.524 -0.035 1.00 0.00 H new ATOM 0 HB THR A 56 4.455 0.727 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.490 1.794 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.936 2.671 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.230 2.820 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.577 3.785 1.708 1.00 0.00 H new ATOM 841 N ALA A 57 1.475 -0.137 1.364 1.00 0.00 N ATOM 842 CA ALA A 57 0.412 -0.933 2.022 1.00 0.00 C ATOM 843 C ALA A 57 0.649 -2.424 1.855 1.00 0.00 C ATOM 844 O ALA A 57 1.383 -2.852 0.981 1.00 0.00 O ATOM 845 CB ALA A 57 -0.930 -0.572 1.368 1.00 0.00 C ATOM 0 H ALA A 57 2.045 -0.635 0.680 1.00 0.00 H new ATOM 0 HA ALA A 57 0.413 -0.705 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.729 -1.146 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.124 0.493 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.891 -0.806 0.304 1.00 0.00 H new ATOM 851 N THR A 58 0.019 -3.193 2.702 1.00 0.00 N ATOM 852 CA THR A 58 0.182 -4.659 2.621 1.00 0.00 C ATOM 853 C THR A 58 -0.871 -5.263 1.705 1.00 0.00 C ATOM 854 O THR A 58 -1.911 -4.678 1.478 1.00 0.00 O ATOM 855 CB THR A 58 0.011 -5.245 4.026 1.00 0.00 C ATOM 856 OG1 THR A 58 0.578 -4.293 4.903 1.00 0.00 O ATOM 857 CG2 THR A 58 0.881 -6.500 4.207 1.00 0.00 C ATOM 0 H THR A 58 -0.599 -2.863 3.443 1.00 0.00 H new ATOM 0 HA THR A 58 1.170 -4.889 2.222 1.00 0.00 H new ATOM 0 HB THR A 58 -1.039 -5.479 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.498 -4.611 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.742 -6.897 5.212 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.589 -7.254 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.929 -6.240 4.061 1.00 0.00 H new ATOM 865 N ILE A 59 -0.582 -6.423 1.193 1.00 0.00 N ATOM 866 CA ILE A 59 -1.554 -7.082 0.292 1.00 0.00 C ATOM 867 C ILE A 59 -1.419 -8.595 0.381 1.00 0.00 C ATOM 868 O ILE A 59 -0.334 -9.130 0.266 1.00 0.00 O ATOM 869 CB ILE A 59 -1.260 -6.634 -1.144 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.377 -7.096 -2.069 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.055 -7.281 -1.605 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.988 -6.789 -3.517 1.00 0.00 C ATOM 0 H ILE A 59 0.282 -6.939 1.360 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.567 -6.804 0.583 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.185 -5.547 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.550 -8.165 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.309 -6.591 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.275 -6.970 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.865 -6.967 -0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.041 -8.366 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.784 -7.118 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.836 -5.716 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.066 -7.315 -3.765 1.00 0.00 H new ATOM 884 N SER A 60 -2.528 -9.258 0.594 1.00 0.00 N ATOM 885 CA SER A 60 -2.496 -10.742 0.698 1.00 0.00 C ATOM 886 C SER A 60 -3.621 -11.362 -0.115 1.00 0.00 C ATOM 887 O SER A 60 -4.785 -11.142 0.158 1.00 0.00 O ATOM 888 CB SER A 60 -2.682 -11.128 2.174 1.00 0.00 C ATOM 889 OG SER A 60 -1.966 -12.347 2.304 1.00 0.00 O ATOM 0 H SER A 60 -3.450 -8.834 0.700 1.00 0.00 H new ATOM 0 HA SER A 60 -1.543 -11.107 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.287 -10.361 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.735 -11.255 2.423 1.00 0.00 H new ATOM 0 HG SER A 60 -1.585 -12.597 1.436 1.00 0.00 H new ATOM 895 N GLY A 61 -3.253 -12.128 -1.101 1.00 0.00 N ATOM 896 CA GLY A 61 -4.286 -12.778 -1.952 1.00 0.00 C ATOM 897 C GLY A 61 -3.645 -13.850 -2.831 1.00 0.00 C ATOM 898 O GLY A 61 -4.282 -14.815 -3.202 1.00 0.00 O ATOM 0 H GLY A 61 -2.286 -12.332 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.057 -13.225 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.777 -12.031 -2.576 1.00 0.00 H new ATOM 902 N LEU A 62 -2.395 -13.657 -3.143 1.00 0.00 N ATOM 903 CA LEU A 62 -1.693 -14.650 -3.991 1.00 0.00 C ATOM 904 C LEU A 62 -1.272 -15.864 -3.171 1.00 0.00 C ATOM 905 O LEU A 62 -1.721 -16.052 -2.056 1.00 0.00 O ATOM 906 CB LEU A 62 -0.438 -13.969 -4.613 1.00 0.00 C ATOM 907 CG LEU A 62 0.717 -13.877 -3.586 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.847 -13.043 -4.192 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.231 -13.191 -2.305 1.00 0.00 C ATOM 0 H LEU A 62 -1.834 -12.858 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.366 -14.993 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.109 -14.535 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.699 -12.970 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 62 1.066 -14.881 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.668 -12.970 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.202 -13.520 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.478 -12.044 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.052 -13.132 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.118 -12.186 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.587 -13.767 -1.872 1.00 0.00 H new ATOM 921 N LYS A 63 -0.418 -16.669 -3.736 1.00 0.00 N ATOM 922 CA LYS A 63 0.041 -17.870 -3.005 1.00 0.00 C ATOM 923 C LYS A 63 1.291 -18.495 -3.652 1.00 0.00 C ATOM 924 O LYS A 63 2.206 -18.895 -2.959 1.00 0.00 O ATOM 925 CB LYS A 63 -1.104 -18.912 -2.969 1.00 0.00 C ATOM 926 CG LYS A 63 -1.396 -19.297 -1.515 1.00 0.00 C ATOM 927 CD LYS A 63 -2.349 -20.497 -1.498 1.00 0.00 C ATOM 928 CE LYS A 63 -2.839 -20.734 -0.066 1.00 0.00 C ATOM 929 NZ LYS A 63 -4.245 -20.265 0.089 1.00 0.00 N ATOM 0 H LYS A 63 -0.022 -16.544 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 63 0.311 -17.567 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.000 -18.501 -3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.824 -19.796 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.469 -19.545 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.841 -18.455 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.196 -20.313 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.840 -21.385 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.775 -21.795 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.194 -20.207 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.561 -20.433 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.297 -19.248 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.859 -20.786 -0.569 1.00 0.00 H new ATOM 943 N PRO A 64 1.312 -18.577 -4.980 1.00 0.00 N ATOM 944 CA PRO A 64 2.450 -19.154 -5.687 1.00 0.00 C ATOM 945 C PRO A 64 3.546 -18.114 -5.933 1.00 0.00 C ATOM 946 O PRO A 64 3.461 -16.990 -5.478 1.00 0.00 O ATOM 947 CB PRO A 64 1.863 -19.592 -7.047 1.00 0.00 C ATOM 948 CG PRO A 64 0.428 -18.976 -7.143 1.00 0.00 C ATOM 949 CD PRO A 64 0.202 -18.174 -5.850 1.00 0.00 C ATOM 0 HA PRO A 64 2.905 -19.964 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.489 -19.242 -7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.822 -20.679 -7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.342 -18.332 -8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.323 -19.759 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.214 -17.101 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.763 -18.408 -5.399 1.00 0.00 H new ATOM 957 N GLY A 65 4.549 -18.527 -6.652 1.00 0.00 N ATOM 958 CA GLY A 65 5.686 -17.611 -6.969 1.00 0.00 C ATOM 959 C GLY A 65 5.851 -17.568 -8.481 1.00 0.00 C ATOM 960 O GLY A 65 6.788 -18.121 -9.023 1.00 0.00 O ATOM 0 H GLY A 65 4.634 -19.467 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.490 -16.612 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.602 -17.964 -6.496 1.00 0.00 H new ATOM 964 N VAL A 66 4.926 -16.904 -9.126 1.00 0.00 N ATOM 965 CA VAL A 66 4.981 -16.799 -10.609 1.00 0.00 C ATOM 966 C VAL A 66 4.970 -15.341 -11.089 1.00 0.00 C ATOM 967 O VAL A 66 4.756 -14.417 -10.317 1.00 0.00 O ATOM 968 CB VAL A 66 3.726 -17.531 -11.148 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.476 -16.949 -10.483 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.617 -17.359 -12.665 1.00 0.00 C ATOM 0 H VAL A 66 4.136 -16.431 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 66 5.908 -17.241 -10.974 1.00 0.00 H new ATOM 0 HB VAL A 66 3.812 -18.593 -10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.591 -17.462 -10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.542 -17.085 -9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.404 -15.886 -10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.730 -17.879 -13.027 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.540 -16.299 -12.906 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.503 -17.776 -13.143 1.00 0.00 H new ATOM 980 N ASP A 67 5.232 -15.173 -12.363 1.00 0.00 N ATOM 981 CA ASP A 67 5.252 -13.817 -12.954 1.00 0.00 C ATOM 982 C ASP A 67 4.005 -13.039 -12.567 1.00 0.00 C ATOM 983 O ASP A 67 2.918 -13.351 -13.013 1.00 0.00 O ATOM 984 CB ASP A 67 5.283 -13.972 -14.482 1.00 0.00 C ATOM 985 CG ASP A 67 6.576 -13.359 -15.025 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.803 -12.204 -14.706 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.261 -14.082 -15.729 1.00 0.00 O ATOM 0 H ASP A 67 5.433 -15.930 -13.016 1.00 0.00 H new ATOM 0 HA ASP A 67 6.124 -13.275 -12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.224 -15.026 -14.754 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.418 -13.480 -14.927 1.00 0.00 H new ATOM 992 N TYR A 68 4.189 -12.037 -11.740 1.00 0.00 N ATOM 993 CA TYR A 68 3.032 -11.217 -11.304 1.00 0.00 C ATOM 994 C TYR A 68 3.255 -9.749 -11.640 1.00 0.00 C ATOM 995 O TYR A 68 4.327 -9.217 -11.418 1.00 0.00 O ATOM 996 CB TYR A 68 2.897 -11.359 -9.783 1.00 0.00 C ATOM 997 CG TYR A 68 1.611 -12.125 -9.464 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.377 -11.549 -9.688 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.667 -13.411 -8.965 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.782 -12.247 -9.418 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.507 -14.110 -8.694 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.726 -13.534 -8.919 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.885 -14.232 -8.650 1.00 0.00 O ATOM 0 H TYR A 68 5.091 -11.758 -11.353 1.00 0.00 H new ATOM 0 HA TYR A 68 2.133 -11.559 -11.816 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.760 -11.887 -9.377 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.875 -10.375 -9.314 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.318 -10.544 -10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.626 -13.874 -8.785 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.741 -11.784 -9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.566 -15.115 -8.303 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.659 -15.121 -8.306 1.00 0.00 H new ATOM 1013 N THR A 69 2.235 -9.127 -12.181 1.00 0.00 N ATOM 1014 CA THR A 69 2.349 -7.690 -12.548 1.00 0.00 C ATOM 1015 C THR A 69 1.394 -6.849 -11.713 1.00 0.00 C ATOM 1016 O THR A 69 0.240 -7.206 -11.546 1.00 0.00 O ATOM 1017 CB THR A 69 1.969 -7.541 -14.025 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.591 -8.835 -14.447 1.00 0.00 O ATOM 1019 CG2 THR A 69 3.203 -7.202 -14.875 1.00 0.00 C ATOM 0 H THR A 69 1.332 -9.556 -12.382 1.00 0.00 H new ATOM 0 HA THR A 69 3.369 -7.351 -12.367 1.00 0.00 H new ATOM 0 HB THR A 69 1.206 -6.770 -14.134 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.332 -8.808 -15.392 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.909 -7.101 -15.920 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.637 -6.264 -14.528 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.940 -8.000 -14.781 1.00 0.00 H new ATOM 1027 N ILE A 70 1.893 -5.747 -11.198 1.00 0.00 N ATOM 1028 CA ILE A 70 1.028 -4.857 -10.366 1.00 0.00 C ATOM 1029 C ILE A 70 0.994 -3.462 -10.965 1.00 0.00 C ATOM 1030 O ILE A 70 1.878 -3.091 -11.715 1.00 0.00 O ATOM 1031 CB ILE A 70 1.607 -4.796 -8.951 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.974 -4.146 -8.981 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.761 -6.233 -8.428 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.863 -2.719 -8.437 1.00 0.00 C ATOM 0 H ILE A 70 2.855 -5.430 -11.319 1.00 0.00 H new ATOM 0 HA ILE A 70 0.012 -5.251 -10.337 1.00 0.00 H new ATOM 0 HB ILE A 70 0.943 -4.217 -8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.678 -4.723 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.361 -4.131 -10.000 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.173 -6.211 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.786 -6.721 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.433 -6.788 -9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.844 -2.245 -8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.172 -2.147 -9.055 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.494 -2.748 -7.412 1.00 0.00 H new ATOM 1046 N THR A 71 -0.015 -2.701 -10.633 1.00 0.00 N ATOM 1047 CA THR A 71 -0.082 -1.334 -11.202 1.00 0.00 C ATOM 1048 C THR A 71 -0.847 -0.374 -10.316 1.00 0.00 C ATOM 1049 O THR A 71 -1.849 -0.737 -9.737 1.00 0.00 O ATOM 1050 CB THR A 71 -0.848 -1.438 -12.533 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.322 -2.572 -13.180 1.00 0.00 O ATOM 1052 CG2 THR A 71 -0.532 -0.258 -13.478 1.00 0.00 C ATOM 0 H THR A 71 -0.777 -2.963 -10.007 1.00 0.00 H new ATOM 0 HA THR A 71 0.935 -0.956 -11.313 1.00 0.00 H new ATOM 0 HB THR A 71 -1.918 -1.464 -12.327 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.392 -2.457 -14.151 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.095 -0.373 -14.405 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.813 0.679 -12.997 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.535 -0.246 -13.700 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.354 0.853 -10.228 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.051 1.865 -9.383 1.00 0.00 C ATOM 1062 C VAL A 72 -1.584 2.956 -10.293 1.00 0.00 C ATOM 1063 O VAL A 72 -0.850 3.563 -11.066 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.084 2.458 -8.299 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.583 1.306 -7.560 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.995 3.336 -8.932 1.00 0.00 C ATOM 0 H VAL A 72 0.488 1.182 -10.701 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.876 1.394 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.666 3.076 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.259 1.703 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.179 0.691 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.147 0.698 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.647 3.730 -8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.583 2.742 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.525 4.163 -9.464 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.865 3.141 -10.231 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.499 4.169 -11.070 1.00 0.00 C ATOM 1078 C TYR A 73 -3.634 5.467 -10.314 1.00 0.00 C ATOM 1079 O TYR A 73 -4.420 5.570 -9.393 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.902 3.673 -11.435 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.869 2.953 -12.780 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.127 1.800 -12.938 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.602 3.427 -13.848 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.119 1.131 -14.145 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.594 2.759 -15.052 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.853 1.606 -15.212 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.839 0.944 -16.422 1.00 0.00 O ATOM 0 H TYR A 73 -3.501 2.618 -9.629 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.889 4.341 -11.956 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.271 2.999 -10.662 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.593 4.514 -11.481 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.548 1.418 -12.110 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.186 4.329 -13.739 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.534 0.230 -14.255 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.173 3.141 -15.879 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.413 1.417 -17.060 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.869 6.439 -10.703 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.957 7.727 -10.005 1.00 0.00 C ATOM 1099 C ALA A 74 -4.090 8.545 -10.588 1.00 0.00 C ATOM 1100 O ALA A 74 -3.906 9.248 -11.563 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.636 8.485 -10.206 1.00 0.00 C ATOM 0 H ALA A 74 -2.195 6.393 -11.467 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.141 7.560 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.686 9.445 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.814 7.897 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.470 8.651 -11.270 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.250 8.448 -9.978 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.408 9.222 -10.499 1.00 0.00 C ATOM 1109 C VAL A 75 -6.664 10.480 -9.680 1.00 0.00 C ATOM 1110 O VAL A 75 -6.813 10.425 -8.467 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.653 8.328 -10.442 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.461 8.515 -11.729 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.219 6.863 -10.332 1.00 0.00 C ATOM 0 H VAL A 75 -5.437 7.874 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.186 9.528 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.261 8.597 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.348 7.883 -11.697 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.762 9.558 -11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.849 8.237 -12.587 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.101 6.224 -10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.617 6.596 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.629 6.725 -9.426 1.00 0.00 H new ATOM 1123 N THR A 76 -6.706 11.594 -10.372 1.00 0.00 N ATOM 1124 CA THR A 76 -6.949 12.895 -9.695 1.00 0.00 C ATOM 1125 C THR A 76 -8.242 13.513 -10.206 1.00 0.00 C ATOM 1126 O THR A 76 -9.260 13.474 -9.544 1.00 0.00 O ATOM 1127 CB THR A 76 -5.781 13.832 -10.028 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.702 13.370 -9.241 1.00 0.00 O ATOM 1129 CG2 THR A 76 -6.050 15.253 -9.515 1.00 0.00 C ATOM 0 H THR A 76 -6.581 11.652 -11.383 1.00 0.00 H new ATOM 0 HA THR A 76 -7.029 12.744 -8.619 1.00 0.00 H new ATOM 0 HB THR A 76 -5.613 13.843 -11.105 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.914 13.928 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.206 15.896 -9.765 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.954 15.643 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.181 15.231 -8.433 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.481 5.733 -15.887 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.109 4.726 -14.894 1.00 0.00 C ATOM 1268 C PRO A 87 0.359 4.344 -15.007 1.00 0.00 C ATOM 1269 O PRO A 87 1.005 4.646 -15.991 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.970 3.495 -15.238 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.614 3.760 -16.629 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.375 5.238 -16.960 1.00 0.00 C ATOM 0 HA PRO A 87 -1.266 5.100 -13.882 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.359 2.593 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.739 3.339 -14.481 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.168 3.118 -17.389 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.681 3.537 -16.609 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.915 5.353 -17.941 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.312 5.794 -16.980 1.00 0.00 H new ATOM 1280 N ILE A 88 0.860 3.689 -13.993 1.00 0.00 N ATOM 1281 CA ILE A 88 2.287 3.271 -14.017 1.00 0.00 C ATOM 1282 C ILE A 88 2.397 1.862 -13.459 1.00 0.00 C ATOM 1283 O ILE A 88 2.012 1.613 -12.334 1.00 0.00 O ATOM 1284 CB ILE A 88 3.107 4.244 -13.165 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.578 3.822 -13.170 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.574 4.218 -11.719 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.403 4.846 -12.387 1.00 0.00 C ATOM 0 H ILE A 88 0.343 3.428 -13.154 1.00 0.00 H new ATOM 0 HA ILE A 88 2.669 3.283 -15.038 1.00 0.00 H new ATOM 0 HB ILE A 88 3.020 5.250 -13.575 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.686 2.834 -12.723 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.944 3.750 -14.194 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.153 4.908 -11.105 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.526 4.517 -11.712 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.666 3.210 -11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.451 4.547 -12.389 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.304 5.826 -12.853 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.042 4.895 -11.360 1.00 0.00 H new ATOM 1299 N SER A 89 2.928 0.960 -14.261 1.00 0.00 N ATOM 1300 CA SER A 89 3.066 -0.449 -13.795 1.00 0.00 C ATOM 1301 C SER A 89 4.495 -0.957 -13.809 1.00 0.00 C ATOM 1302 O SER A 89 5.376 -0.381 -14.415 1.00 0.00 O ATOM 1303 CB SER A 89 2.266 -1.331 -14.756 1.00 0.00 C ATOM 1304 OG SER A 89 1.441 -0.420 -15.466 1.00 0.00 O ATOM 0 H SER A 89 3.266 1.143 -15.206 1.00 0.00 H new ATOM 0 HA SER A 89 2.712 -0.486 -12.765 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.922 -1.881 -15.430 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.672 -2.069 -14.217 1.00 0.00 H new ATOM 0 HG SER A 89 0.891 -0.911 -16.111 1.00 0.00 H new ATOM 1310 N ILE A 90 4.674 -2.056 -13.123 1.00 0.00 N ATOM 1311 CA ILE A 90 6.005 -2.689 -13.038 1.00 0.00 C ATOM 1312 C ILE A 90 5.832 -4.207 -12.961 1.00 0.00 C ATOM 1313 O ILE A 90 4.924 -4.702 -12.299 1.00 0.00 O ATOM 1314 CB ILE A 90 6.735 -2.192 -11.779 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.832 -2.298 -10.555 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.114 -0.714 -11.987 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.446 -3.298 -9.568 1.00 0.00 C ATOM 0 H ILE A 90 3.936 -2.542 -12.613 1.00 0.00 H new ATOM 0 HA ILE A 90 6.591 -2.428 -13.919 1.00 0.00 H new ATOM 0 HB ILE A 90 7.622 -2.805 -11.616 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.722 -1.322 -10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.835 -2.624 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.633 -0.344 -11.103 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.767 -0.624 -12.855 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.211 -0.126 -12.150 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.807 -3.381 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.534 -4.274 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.435 -2.952 -9.267 1.00 0.00 H new ATOM 1329 N ASN A 91 6.695 -4.917 -13.641 1.00 0.00 N ATOM 1330 CA ASN A 91 6.605 -6.401 -13.630 1.00 0.00 C ATOM 1331 C ASN A 91 7.660 -7.019 -12.718 1.00 0.00 C ATOM 1332 O ASN A 91 8.752 -6.504 -12.587 1.00 0.00 O ATOM 1333 CB ASN A 91 6.847 -6.895 -15.067 1.00 0.00 C ATOM 1334 CG ASN A 91 7.302 -8.355 -15.034 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.404 -8.665 -14.624 1.00 0.00 O ATOM 1336 ND2 ASN A 91 6.487 -9.279 -15.457 1.00 0.00 N ATOM 0 H ASN A 91 7.455 -4.531 -14.201 1.00 0.00 H new ATOM 0 HA ASN A 91 5.623 -6.695 -13.259 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.933 -6.801 -15.654 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.603 -6.278 -15.553 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.774 -10.258 -15.443 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.562 -9.024 -15.802 1.00 0.00 H new ATOM 1343 N TYR A 92 7.309 -8.120 -12.101 1.00 0.00 N ATOM 1344 CA TYR A 92 8.277 -8.788 -11.195 1.00 0.00 C ATOM 1345 C TYR A 92 7.734 -10.137 -10.732 1.00 0.00 C ATOM 1346 O TYR A 92 6.553 -10.282 -10.482 1.00 0.00 O ATOM 1347 CB TYR A 92 8.505 -7.884 -9.971 1.00 0.00 C ATOM 1348 CG TYR A 92 9.403 -8.607 -8.956 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.671 -9.028 -9.311 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.956 -8.847 -7.672 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.476 -9.679 -8.398 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.762 -9.499 -6.759 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.028 -9.920 -7.116 1.00 0.00 C ATOM 1354 OH TYR A 92 11.833 -10.570 -6.203 1.00 0.00 O ATOM 0 H TYR A 92 6.401 -8.577 -12.188 1.00 0.00 H new ATOM 0 HA TYR A 92 9.213 -8.955 -11.727 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.969 -6.947 -10.280 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.550 -7.630 -9.511 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.035 -8.846 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.968 -8.522 -7.379 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.464 -10.002 -8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.399 -9.681 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 92 11.358 -10.654 -5.350 1.00 0.00 H new ATOM 1364 N ARG A 93 8.608 -11.102 -10.627 1.00 0.00 N ATOM 1365 CA ARG A 93 8.161 -12.447 -10.182 1.00 0.00 C ATOM 1366 C ARG A 93 7.889 -12.472 -8.687 1.00 0.00 C ATOM 1367 O ARG A 93 8.802 -12.415 -7.886 1.00 0.00 O ATOM 1368 CB ARG A 93 9.272 -13.452 -10.519 1.00 0.00 C ATOM 1369 CG ARG A 93 9.466 -13.475 -12.038 1.00 0.00 C ATOM 1370 CD ARG A 93 10.486 -14.552 -12.404 1.00 0.00 C ATOM 1371 NE ARG A 93 10.574 -14.649 -13.889 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.188 -15.665 -14.427 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.392 -15.959 -14.022 1.00 0.00 N ATOM 1374 NH2 ARG A 93 10.577 -16.354 -15.353 1.00 0.00 N ATOM 0 H ARG A 93 9.604 -11.016 -10.829 1.00 0.00 H new ATOM 0 HA ARG A 93 7.233 -12.704 -10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.201 -13.169 -10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.006 -14.445 -10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.516 -13.675 -12.534 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.809 -12.501 -12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.461 -14.306 -11.984 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.189 -15.512 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 93 10.158 -13.928 -14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.837 -15.398 -13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.889 -16.750 -14.431 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.635 -16.094 -15.644 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.042 -17.152 -15.785 1.00 0.00 H new ATOM 1388 N THR A 94 6.619 -12.560 -8.343 1.00 0.00 N ATOM 1389 CA THR A 94 6.237 -12.591 -6.898 1.00 0.00 C ATOM 1390 C THR A 94 5.451 -13.857 -6.575 1.00 0.00 C ATOM 1391 O THR A 94 5.055 -14.511 -7.532 1.00 0.00 O ATOM 1392 CB THR A 94 5.357 -11.361 -6.595 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.147 -10.737 -7.844 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.128 -10.307 -5.757 1.00 0.00 C ATOM 1395 OXT THR A 94 5.283 -14.103 -5.393 1.00 0.00 O ATOM 0 H THR A 94 5.840 -12.611 -9.000 1.00 0.00 H new ATOM 0 HA THR A 94 7.142 -12.578 -6.290 1.00 0.00 H new ATOM 0 HB THR A 94 4.458 -11.678 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.588 -9.941 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.480 -9.453 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.439 -10.751 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.007 -9.976 -6.309 1.00 0.00 H new