USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 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 23 MET CE :methyl -121:sc= -0.302 (180deg=-0.467) USER MOD Set 1.2: A 33 MET CE :methyl 150:sc= -0.151 (180deg=-0.798) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 169:sc= -0.412! (180deg=-1.05!) USER MOD Set 2.2: A 102 GLN : amide:sc= -0.0294 K(o=-0.44,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 31 HIS : no HE2:sc= -0.933 K(o=-0.93,f=-5.7!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0899 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0916 USER MOD Single : A 37 THR OG1 : rot -142:sc= -1.81! USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= 1.5 (180deg=-0.104) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -2.37! (180deg=-3.42!) USER MOD Single : A 44 TYR OH : rot -30:sc= -0.439 USER MOD Single : A 46 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.29) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.96) USER MOD Single : A 67 ASN : amide:sc= -0.598 K(o=-0.6,f=-5.8!) USER MOD Single : A 71 THR OG1 : rot 75:sc= 0.407 USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= -0.136 (180deg=-0.506) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0.6 (180deg=0.521) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.397 (180deg=0.048) USER MOD Single : A 83 SER OG : rot 65:sc= 1.25 USER MOD Single : A 85 ASN : amide:sc= -2.64! K(o=-2.6!,f=-0.17) USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= -0.0259 (180deg=-0.285) USER MOD Single : A 91 ASN : amide:sc= 0.49 K(o=0.49,f=-0.23) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 136:sc= 0.878 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -139:sc= -0.339 (180deg=-2.29!) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 11.526 0.386 -0.530 1.00 0.00 N ATOM 164 CA ALA A 12 10.421 -0.199 -1.280 1.00 0.00 C ATOM 165 C ALA A 12 9.095 0.232 -0.665 1.00 0.00 C ATOM 166 O ALA A 12 8.123 0.506 -1.367 1.00 0.00 O ATOM 167 CB ALA A 12 10.534 -1.717 -1.304 1.00 0.00 C ATOM 0 HA ALA A 12 10.464 0.158 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.700 -2.135 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.473 -2.005 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.510 -2.100 -0.284 1.00 0.00 H new ATOM 173 N ILE A 13 9.087 0.320 0.656 1.00 0.00 N ATOM 174 CA ILE A 13 7.914 0.757 1.394 1.00 0.00 C ATOM 175 C ILE A 13 7.653 2.238 1.133 1.00 0.00 C ATOM 176 O ILE A 13 6.520 2.646 0.890 1.00 0.00 O ATOM 177 CB ILE A 13 8.099 0.527 2.910 1.00 0.00 C ATOM 178 CG1 ILE A 13 8.479 -0.932 3.178 1.00 0.00 C ATOM 179 CG2 ILE A 13 6.833 0.903 3.668 1.00 0.00 C ATOM 180 CD1 ILE A 13 8.838 -1.218 4.621 1.00 0.00 C ATOM 0 H ILE A 13 9.889 0.092 1.243 1.00 0.00 H new ATOM 0 HA ILE A 13 7.061 0.170 1.053 1.00 0.00 H new ATOM 0 HB ILE A 13 8.907 1.167 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.647 -1.573 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.324 -1.199 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.984 0.734 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.605 1.955 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.003 0.290 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.095 -2.272 4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.690 -0.604 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.987 -0.984 5.261 1.00 0.00 H new ATOM 192 N GLU A 14 8.717 3.033 1.166 1.00 0.00 N ATOM 193 CA GLU A 14 8.612 4.470 0.934 1.00 0.00 C ATOM 194 C GLU A 14 8.091 4.750 -0.472 1.00 0.00 C ATOM 195 O GLU A 14 7.304 5.667 -0.677 1.00 0.00 O ATOM 196 CB GLU A 14 9.976 5.139 1.127 1.00 0.00 C ATOM 197 CG GLU A 14 9.903 6.639 1.364 1.00 0.00 C ATOM 198 CD GLU A 14 9.228 6.982 2.678 1.00 0.00 C ATOM 199 OE1 GLU A 14 9.855 6.785 3.741 1.00 0.00 O ATOM 200 OE2 GLU A 14 8.070 7.442 2.656 1.00 0.00 O ATOM 0 H GLU A 14 9.665 2.706 1.352 1.00 0.00 H new ATOM 0 HA GLU A 14 7.908 4.883 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.481 4.672 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.589 4.951 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.910 7.055 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.358 7.108 0.545 1.00 0.00 H new ATOM 207 N LYS A 15 8.517 3.948 -1.443 1.00 0.00 N ATOM 208 CA LYS A 15 8.049 4.118 -2.815 1.00 0.00 C ATOM 209 C LYS A 15 6.587 3.707 -2.944 1.00 0.00 C ATOM 210 O LYS A 15 5.877 4.200 -3.817 1.00 0.00 O ATOM 211 CB LYS A 15 8.917 3.336 -3.804 1.00 0.00 C ATOM 212 CG LYS A 15 10.352 3.844 -3.885 1.00 0.00 C ATOM 213 CD LYS A 15 10.432 5.313 -4.304 1.00 0.00 C ATOM 214 CE LYS A 15 10.320 5.504 -5.815 1.00 0.00 C ATOM 215 NZ LYS A 15 8.939 5.285 -6.329 1.00 0.00 N ATOM 0 H LYS A 15 9.178 3.183 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 15 8.133 5.176 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.927 2.285 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.464 3.389 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.833 3.720 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.909 3.236 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.635 5.870 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.376 5.734 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.642 6.513 -6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.001 4.815 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.881 5.606 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.707 4.272 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.264 5.823 -5.750 1.00 0.00 H new ATOM 229 N ALA A 16 6.137 2.814 -2.075 1.00 0.00 N ATOM 230 CA ALA A 16 4.725 2.463 -2.022 1.00 0.00 C ATOM 231 C ALA A 16 3.915 3.660 -1.533 1.00 0.00 C ATOM 232 O ALA A 16 2.834 3.952 -2.046 1.00 0.00 O ATOM 233 CB ALA A 16 4.497 1.254 -1.128 1.00 0.00 C ATOM 0 H ALA A 16 6.724 2.322 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 16 4.392 2.198 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.434 1.013 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.054 0.402 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.839 1.479 -0.118 1.00 0.00 H new ATOM 239 N LEU A 17 4.464 4.366 -0.549 1.00 0.00 N ATOM 240 CA LEU A 17 3.866 5.606 -0.066 1.00 0.00 C ATOM 241 C LEU A 17 4.010 6.699 -1.115 1.00 0.00 C ATOM 242 O LEU A 17 3.158 7.571 -1.237 1.00 0.00 O ATOM 243 CB LEU A 17 4.516 6.055 1.250 1.00 0.00 C ATOM 244 CG LEU A 17 3.934 5.431 2.524 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.449 5.728 2.627 1.00 0.00 C ATOM 246 CD2 LEU A 17 4.177 3.932 2.564 1.00 0.00 C ATOM 0 H LEU A 17 5.324 4.100 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 17 2.808 5.423 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.580 5.822 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.429 7.139 1.326 1.00 0.00 H new ATOM 0 HG LEU A 17 4.443 5.877 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.050 5.278 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.295 6.807 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.934 5.312 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.753 3.519 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.704 3.464 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.249 3.736 2.541 1.00 0.00 H new ATOM 258 N ASP A 18 5.102 6.630 -1.864 1.00 0.00 N ATOM 259 CA ASP A 18 5.358 7.540 -2.978 1.00 0.00 C ATOM 260 C ASP A 18 4.219 7.480 -3.999 1.00 0.00 C ATOM 261 O ASP A 18 3.888 8.481 -4.635 1.00 0.00 O ATOM 262 CB ASP A 18 6.701 7.173 -3.618 1.00 0.00 C ATOM 263 CG ASP A 18 7.026 7.961 -4.869 1.00 0.00 C ATOM 264 OD1 ASP A 18 7.123 9.202 -4.793 1.00 0.00 O ATOM 265 OD2 ASP A 18 7.223 7.329 -5.930 1.00 0.00 O ATOM 0 H ASP A 18 5.839 5.940 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 18 5.407 8.565 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.494 7.329 -2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.697 6.111 -3.862 1.00 0.00 H new ATOM 270 N PHE A 19 3.616 6.302 -4.141 1.00 0.00 N ATOM 271 CA PHE A 19 2.422 6.152 -4.964 1.00 0.00 C ATOM 272 C PHE A 19 1.186 6.646 -4.216 1.00 0.00 C ATOM 273 O PHE A 19 0.542 7.610 -4.629 1.00 0.00 O ATOM 274 CB PHE A 19 2.206 4.688 -5.362 1.00 0.00 C ATOM 275 CG PHE A 19 3.260 4.118 -6.265 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.509 4.679 -7.508 1.00 0.00 C ATOM 277 CD2 PHE A 19 3.986 3.001 -5.882 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.463 4.137 -8.348 1.00 0.00 C ATOM 279 CE2 PHE A 19 4.942 2.459 -6.716 1.00 0.00 C ATOM 280 CZ PHE A 19 5.182 3.027 -7.949 1.00 0.00 C ATOM 0 H PHE A 19 3.935 5.441 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 19 2.571 6.750 -5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.158 4.083 -4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.238 4.600 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.952 5.549 -7.823 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.801 2.549 -4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.646 4.581 -9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.502 1.590 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.931 2.605 -8.602 1.00 0.00 H new ATOM 290 N ILE A 20 0.876 5.977 -3.107 1.00 0.00 N ATOM 291 CA ILE A 20 -0.351 6.228 -2.350 1.00 0.00 C ATOM 292 C ILE A 20 -0.384 7.640 -1.760 1.00 0.00 C ATOM 293 O ILE A 20 -1.149 8.494 -2.199 1.00 0.00 O ATOM 294 CB ILE A 20 -0.510 5.199 -1.205 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.516 3.773 -1.764 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.784 5.464 -0.414 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.614 2.705 -0.696 1.00 0.00 C ATOM 0 H ILE A 20 1.466 5.247 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.177 6.128 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 20 0.340 5.305 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.354 3.665 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.394 3.614 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.875 4.729 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.744 6.465 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.646 5.388 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.613 1.721 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.238 2.786 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.538 2.838 -0.133 1.00 0.00 H new ATOM 309 N GLY A 21 0.481 7.883 -0.783 1.00 0.00 N ATOM 310 CA GLY A 21 0.462 9.145 -0.064 1.00 0.00 C ATOM 311 C GLY A 21 1.060 10.281 -0.861 1.00 0.00 C ATOM 312 O GLY A 21 0.987 11.438 -0.455 1.00 0.00 O ATOM 0 H GLY A 21 1.198 7.227 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.566 9.393 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.012 9.034 0.871 1.00 0.00 H new ATOM 316 N GLY A 22 1.651 9.946 -1.996 1.00 0.00 N ATOM 317 CA GLY A 22 2.253 10.948 -2.841 1.00 0.00 C ATOM 318 C GLY A 22 1.220 11.742 -3.620 1.00 0.00 C ATOM 319 O GLY A 22 1.516 12.821 -4.133 1.00 0.00 O ATOM 0 H GLY A 22 1.724 8.991 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.845 11.628 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.940 10.467 -3.538 1.00 0.00 H new ATOM 323 N MET A 23 0.003 11.220 -3.707 1.00 0.00 N ATOM 324 CA MET A 23 -1.049 11.902 -4.447 1.00 0.00 C ATOM 325 C MET A 23 -2.033 12.589 -3.499 1.00 0.00 C ATOM 326 O MET A 23 -2.938 11.969 -2.942 1.00 0.00 O ATOM 327 CB MET A 23 -1.778 10.937 -5.407 1.00 0.00 C ATOM 328 CG MET A 23 -2.543 9.804 -4.735 1.00 0.00 C ATOM 329 SD MET A 23 -3.417 8.761 -5.925 1.00 0.00 S ATOM 330 CE MET A 23 -2.039 7.951 -6.728 1.00 0.00 C ATOM 0 H MET A 23 -0.277 10.337 -3.280 1.00 0.00 H new ATOM 0 HA MET A 23 -0.578 12.675 -5.054 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.475 11.514 -6.015 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.044 10.504 -6.087 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.848 9.191 -4.160 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.259 10.222 -4.028 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.060 8.170 -7.796 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.104 8.315 -6.302 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.112 6.874 -6.577 1.00 0.00 H new ATOM 340 N ASN A 24 -1.835 13.883 -3.295 1.00 0.00 N ATOM 341 CA ASN A 24 -2.776 14.680 -2.515 1.00 0.00 C ATOM 342 C ASN A 24 -3.847 15.238 -3.442 1.00 0.00 C ATOM 343 O ASN A 24 -4.143 16.435 -3.433 1.00 0.00 O ATOM 344 CB ASN A 24 -2.060 15.821 -1.782 1.00 0.00 C ATOM 345 CG ASN A 24 -1.059 15.327 -0.752 1.00 0.00 C ATOM 346 OD1 ASN A 24 0.113 15.123 -1.061 1.00 0.00 O ATOM 347 ND2 ASN A 24 -1.511 15.129 0.479 1.00 0.00 N ATOM 0 H ASN A 24 -1.036 14.404 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.238 14.041 -1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.545 16.447 -2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.801 16.450 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.879 14.796 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.491 15.309 0.698 1.00 0.00 H new ATOM 354 N THR A 25 -4.419 14.352 -4.244 1.00 0.00 N ATOM 355 CA THR A 25 -5.402 14.727 -5.242 1.00 0.00 C ATOM 356 C THR A 25 -6.787 14.868 -4.623 1.00 0.00 C ATOM 357 O THR A 25 -6.939 14.871 -3.400 1.00 0.00 O ATOM 358 CB THR A 25 -5.442 13.684 -6.373 1.00 0.00 C ATOM 359 OG1 THR A 25 -5.531 12.366 -5.817 1.00 0.00 O ATOM 360 CG2 THR A 25 -4.205 13.786 -7.252 1.00 0.00 C ATOM 0 H THR A 25 -4.213 13.353 -4.219 1.00 0.00 H new ATOM 0 HA THR A 25 -5.108 15.692 -5.653 1.00 0.00 H new ATOM 0 HB THR A 25 -6.320 13.881 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.558 11.707 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.258 13.038 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.155 14.780 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.314 13.613 -6.648 1.00 0.00 H new ATOM 368 N SER A 26 -7.793 14.983 -5.474 1.00 0.00 N ATOM 369 CA SER A 26 -9.162 15.146 -5.023 1.00 0.00 C ATOM 370 C SER A 26 -9.808 13.797 -4.718 1.00 0.00 C ATOM 371 O SER A 26 -9.143 12.752 -4.766 1.00 0.00 O ATOM 372 CB SER A 26 -9.961 15.891 -6.091 1.00 0.00 C ATOM 373 OG SER A 26 -9.736 15.332 -7.376 1.00 0.00 O ATOM 0 H SER A 26 -7.684 14.966 -6.488 1.00 0.00 H new ATOM 0 HA SER A 26 -9.159 15.725 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.024 15.847 -5.852 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.678 16.944 -6.094 1.00 0.00 H new ATOM 0 HG SER A 26 -10.259 15.824 -8.043 1.00 0.00 H new ATOM 430 N HIS A 31 -11.963 6.000 -4.790 1.00 0.00 N ATOM 431 CA HIS A 31 -11.053 6.791 -5.605 1.00 0.00 C ATOM 432 C HIS A 31 -11.016 6.303 -7.047 1.00 0.00 C ATOM 433 O HIS A 31 -11.391 5.168 -7.346 1.00 0.00 O ATOM 434 CB HIS A 31 -9.645 6.780 -5.013 1.00 0.00 C ATOM 435 CG HIS A 31 -9.451 7.739 -3.873 1.00 0.00 C ATOM 436 ND1 HIS A 31 -8.357 7.699 -3.042 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.185 8.805 -3.464 1.00 0.00 C ATOM 438 CE1 HIS A 31 -8.421 8.694 -2.182 1.00 0.00 C ATOM 439 NE2 HIS A 31 -9.519 9.386 -2.415 1.00 0.00 N ATOM 0 HA HIS A 31 -11.430 7.814 -5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.415 5.772 -4.668 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.930 7.019 -5.800 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.610 7.005 -3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.122 9.135 -3.887 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.694 8.908 -1.413 1.00 0.00 H new ATOM 448 N SER A 32 -10.532 7.171 -7.927 1.00 0.00 N ATOM 449 CA SER A 32 -10.521 6.913 -9.358 1.00 0.00 C ATOM 450 C SER A 32 -9.653 5.706 -9.703 1.00 0.00 C ATOM 451 O SER A 32 -10.159 4.623 -9.992 1.00 0.00 O ATOM 452 CB SER A 32 -10.007 8.155 -10.080 1.00 0.00 C ATOM 453 OG SER A 32 -10.289 9.322 -9.322 1.00 0.00 O ATOM 0 H SER A 32 -10.136 8.074 -7.666 1.00 0.00 H new ATOM 0 HA SER A 32 -11.537 6.686 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.932 8.070 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.473 8.231 -11.063 1.00 0.00 H new ATOM 0 HG SER A 32 -9.952 10.110 -9.797 1.00 0.00 H new ATOM 459 N MET A 33 -8.344 5.894 -9.666 1.00 0.00 N ATOM 460 CA MET A 33 -7.413 4.813 -9.944 1.00 0.00 C ATOM 461 C MET A 33 -6.957 4.201 -8.634 1.00 0.00 C ATOM 462 O MET A 33 -6.890 2.981 -8.489 1.00 0.00 O ATOM 463 CB MET A 33 -6.192 5.334 -10.709 1.00 0.00 C ATOM 464 CG MET A 33 -5.193 4.247 -11.074 1.00 0.00 C ATOM 465 SD MET A 33 -3.482 4.802 -10.951 1.00 0.00 S ATOM 466 CE MET A 33 -3.339 5.065 -9.182 1.00 0.00 C ATOM 0 H MET A 33 -7.902 6.786 -9.446 1.00 0.00 H new ATOM 0 HA MET A 33 -7.916 4.064 -10.556 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.528 5.828 -11.621 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.690 6.089 -10.104 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.340 3.389 -10.418 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.388 3.907 -12.091 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.310 4.886 -8.869 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.617 6.091 -8.943 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.003 4.378 -8.657 1.00 0.00 H new ATOM 476 N ASP A 34 -6.684 5.086 -7.684 1.00 0.00 N ATOM 477 CA ASP A 34 -6.130 4.725 -6.384 1.00 0.00 C ATOM 478 C ASP A 34 -6.876 3.563 -5.732 1.00 0.00 C ATOM 479 O ASP A 34 -6.249 2.622 -5.269 1.00 0.00 O ATOM 480 CB ASP A 34 -6.139 5.947 -5.464 1.00 0.00 C ATOM 481 CG ASP A 34 -5.822 5.603 -4.024 1.00 0.00 C ATOM 482 OD1 ASP A 34 -4.666 5.245 -3.737 1.00 0.00 O ATOM 483 OD2 ASP A 34 -6.740 5.696 -3.183 1.00 0.00 O ATOM 0 H ASP A 34 -6.843 6.087 -7.795 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.105 4.390 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.412 6.674 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.118 6.424 -5.511 1.00 0.00 H new ATOM 488 N GLU A 35 -8.206 3.608 -5.747 1.00 0.00 N ATOM 489 CA GLU A 35 -9.018 2.596 -5.064 1.00 0.00 C ATOM 490 C GLU A 35 -8.583 1.179 -5.459 1.00 0.00 C ATOM 491 O GLU A 35 -8.040 0.425 -4.643 1.00 0.00 O ATOM 492 CB GLU A 35 -10.495 2.805 -5.406 1.00 0.00 C ATOM 493 CG GLU A 35 -11.462 1.957 -4.594 1.00 0.00 C ATOM 494 CD GLU A 35 -11.661 2.472 -3.182 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.675 3.705 -2.990 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.848 1.644 -2.263 1.00 0.00 O ATOM 0 H GLU A 35 -8.746 4.331 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.873 2.706 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.743 3.856 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.643 2.588 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.425 1.927 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.091 0.933 -4.552 1.00 0.00 H new ATOM 503 N SER A 36 -8.793 0.837 -6.726 1.00 0.00 N ATOM 504 CA SER A 36 -8.505 -0.504 -7.213 1.00 0.00 C ATOM 505 C SER A 36 -6.998 -0.768 -7.269 1.00 0.00 C ATOM 506 O SER A 36 -6.535 -1.837 -6.866 1.00 0.00 O ATOM 507 CB SER A 36 -9.129 -0.702 -8.599 1.00 0.00 C ATOM 508 OG SER A 36 -8.974 -2.035 -9.053 1.00 0.00 O ATOM 0 H SER A 36 -9.162 1.472 -7.434 1.00 0.00 H new ATOM 0 HA SER A 36 -8.942 -1.218 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.189 -0.450 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.664 -0.018 -9.309 1.00 0.00 H new ATOM 0 HG SER A 36 -9.383 -2.129 -9.938 1.00 0.00 H new ATOM 514 N THR A 37 -6.241 0.209 -7.752 1.00 0.00 N ATOM 515 CA THR A 37 -4.813 0.031 -7.968 1.00 0.00 C ATOM 516 C THR A 37 -4.050 -0.132 -6.654 1.00 0.00 C ATOM 517 O THR A 37 -3.180 -1.000 -6.542 1.00 0.00 O ATOM 518 CB THR A 37 -4.236 1.204 -8.777 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.984 1.360 -9.988 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.780 0.953 -9.117 1.00 0.00 C ATOM 0 H THR A 37 -6.594 1.133 -8.001 1.00 0.00 H new ATOM 0 HA THR A 37 -4.687 -0.890 -8.538 1.00 0.00 H new ATOM 0 HB THR A 37 -4.305 2.110 -8.176 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.377 1.601 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.390 1.794 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.205 0.842 -8.197 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.696 0.041 -9.709 1.00 0.00 H new ATOM 528 N ALA A 38 -4.386 0.673 -5.652 1.00 0.00 N ATOM 529 CA ALA A 38 -3.704 0.592 -4.369 1.00 0.00 C ATOM 530 C ALA A 38 -4.016 -0.732 -3.682 1.00 0.00 C ATOM 531 O ALA A 38 -3.133 -1.348 -3.089 1.00 0.00 O ATOM 532 CB ALA A 38 -4.073 1.762 -3.477 1.00 0.00 C ATOM 0 H ALA A 38 -5.118 1.381 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.631 0.641 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.548 1.674 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.788 2.695 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.148 1.759 -3.300 1.00 0.00 H new ATOM 538 N LYS A 39 -5.270 -1.185 -3.778 1.00 0.00 N ATOM 539 CA LYS A 39 -5.641 -2.507 -3.265 1.00 0.00 C ATOM 540 C LYS A 39 -4.785 -3.597 -3.911 1.00 0.00 C ATOM 541 O LYS A 39 -4.492 -4.625 -3.291 1.00 0.00 O ATOM 542 CB LYS A 39 -7.119 -2.803 -3.539 1.00 0.00 C ATOM 543 CG LYS A 39 -8.088 -1.998 -2.693 1.00 0.00 C ATOM 544 CD LYS A 39 -9.512 -2.135 -3.211 1.00 0.00 C ATOM 545 CE LYS A 39 -10.518 -1.458 -2.295 1.00 0.00 C ATOM 546 NZ LYS A 39 -10.770 -2.250 -1.065 1.00 0.00 N ATOM 0 H LYS A 39 -6.037 -0.663 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.469 -2.502 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.327 -2.609 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.302 -3.864 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.040 -2.337 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.795 -0.948 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.579 -1.699 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.763 -3.191 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.151 -0.469 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.456 -1.312 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.786 -2.459 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.235 -3.141 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.466 -1.705 -0.233 1.00 0.00 H new ATOM 560 N GLY A 40 -4.407 -3.371 -5.165 1.00 0.00 N ATOM 561 CA GLY A 40 -3.527 -4.288 -5.859 1.00 0.00 C ATOM 562 C GLY A 40 -2.120 -4.264 -5.296 1.00 0.00 C ATOM 563 O GLY A 40 -1.540 -5.316 -5.025 1.00 0.00 O ATOM 0 H GLY A 40 -4.698 -2.563 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.928 -5.299 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.498 -4.031 -6.918 1.00 0.00 H new ATOM 567 N ILE A 41 -1.582 -3.062 -5.105 1.00 0.00 N ATOM 568 CA ILE A 41 -0.250 -2.897 -4.528 1.00 0.00 C ATOM 569 C ILE A 41 -0.188 -3.505 -3.127 1.00 0.00 C ATOM 570 O ILE A 41 0.769 -4.200 -2.780 1.00 0.00 O ATOM 571 CB ILE A 41 0.157 -1.405 -4.468 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.138 -0.792 -5.874 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.538 -1.249 -3.840 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.516 0.677 -5.916 1.00 0.00 C ATOM 0 H ILE A 41 -2.049 -2.186 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 41 0.453 -3.421 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.565 -0.876 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.824 -1.351 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.859 -0.911 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.806 -0.193 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.525 -1.652 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.272 -1.791 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.478 1.033 -6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.184 1.250 -5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.526 0.804 -5.525 1.00 0.00 H new ATOM 586 N LEU A 42 -1.230 -3.252 -2.337 1.00 0.00 N ATOM 587 CA LEU A 42 -1.341 -3.819 -0.994 1.00 0.00 C ATOM 588 C LEU A 42 -1.287 -5.343 -1.034 1.00 0.00 C ATOM 589 O LEU A 42 -0.664 -5.979 -0.178 1.00 0.00 O ATOM 590 CB LEU A 42 -2.649 -3.373 -0.329 1.00 0.00 C ATOM 591 CG LEU A 42 -2.554 -2.140 0.570 1.00 0.00 C ATOM 592 CD1 LEU A 42 -2.051 -0.929 -0.195 1.00 0.00 C ATOM 593 CD2 LEU A 42 -3.901 -1.848 1.204 1.00 0.00 C ATOM 0 H LEU A 42 -2.013 -2.655 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.495 -3.454 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.382 -3.173 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.034 -4.203 0.264 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.831 -2.355 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.996 -0.072 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.060 -1.139 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.735 -0.706 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.820 -0.968 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.638 -1.663 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.214 -2.703 1.804 1.00 0.00 H new ATOM 605 N LYS A 43 -1.934 -5.921 -2.036 1.00 0.00 N ATOM 606 CA LYS A 43 -1.975 -7.366 -2.191 1.00 0.00 C ATOM 607 C LYS A 43 -0.595 -7.889 -2.573 1.00 0.00 C ATOM 608 O LYS A 43 -0.137 -8.907 -2.054 1.00 0.00 O ATOM 609 CB LYS A 43 -2.987 -7.751 -3.272 1.00 0.00 C ATOM 610 CG LYS A 43 -3.435 -9.201 -3.197 1.00 0.00 C ATOM 611 CD LYS A 43 -4.333 -9.445 -1.993 1.00 0.00 C ATOM 612 CE LYS A 43 -5.777 -9.028 -2.256 1.00 0.00 C ATOM 613 NZ LYS A 43 -5.925 -7.577 -2.557 1.00 0.00 N ATOM 0 H LYS A 43 -2.440 -5.407 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.278 -7.811 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.861 -7.105 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.547 -7.565 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.968 -9.466 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.562 -9.850 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.304 -10.502 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.947 -8.892 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.169 -9.607 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.384 -9.275 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.928 -7.309 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.373 -7.022 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.577 -7.385 -3.518 1.00 0.00 H new ATOM 627 N TYR A 44 0.054 -7.167 -3.477 1.00 0.00 N ATOM 628 CA TYR A 44 1.366 -7.540 -3.983 1.00 0.00 C ATOM 629 C TYR A 44 2.418 -7.522 -2.872 1.00 0.00 C ATOM 630 O TYR A 44 3.181 -8.478 -2.708 1.00 0.00 O ATOM 631 CB TYR A 44 1.763 -6.588 -5.115 1.00 0.00 C ATOM 632 CG TYR A 44 3.118 -6.878 -5.716 1.00 0.00 C ATOM 633 CD1 TYR A 44 3.347 -8.047 -6.429 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.167 -5.983 -5.566 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.584 -8.315 -6.975 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.407 -6.242 -6.110 1.00 0.00 C ATOM 637 CZ TYR A 44 5.609 -7.410 -6.815 1.00 0.00 C ATOM 638 OH TYR A 44 6.840 -7.676 -7.355 1.00 0.00 O ATOM 0 H TYR A 44 -0.316 -6.306 -3.880 1.00 0.00 H new ATOM 0 HA TYR A 44 1.315 -8.559 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.010 -6.641 -5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.757 -5.566 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.544 -8.757 -6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.010 -5.068 -5.014 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.748 -9.230 -7.525 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.214 -5.535 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 44 6.984 -8.645 -7.379 1.00 0.00 H new ATOM 648 N LEU A 45 2.440 -6.436 -2.107 1.00 0.00 N ATOM 649 CA LEU A 45 3.408 -6.268 -1.025 1.00 0.00 C ATOM 650 C LEU A 45 3.249 -7.347 0.037 1.00 0.00 C ATOM 651 O LEU A 45 4.232 -7.973 0.447 1.00 0.00 O ATOM 652 CB LEU A 45 3.257 -4.887 -0.388 1.00 0.00 C ATOM 653 CG LEU A 45 3.757 -3.723 -1.244 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.450 -2.397 -0.571 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.251 -3.855 -1.491 1.00 0.00 C ATOM 0 H LEU A 45 1.795 -5.653 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 45 4.405 -6.360 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.204 -4.723 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.796 -4.879 0.559 1.00 0.00 H new ATOM 0 HG LEU A 45 3.240 -3.752 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.813 -1.580 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.373 -2.299 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.943 -2.359 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.594 -3.020 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.779 -3.848 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.452 -4.792 -2.011 1.00 0.00 H new ATOM 667 N HIS A 46 2.013 -7.570 0.476 1.00 0.00 N ATOM 668 CA HIS A 46 1.738 -8.550 1.523 1.00 0.00 C ATOM 669 C HIS A 46 2.190 -9.943 1.100 1.00 0.00 C ATOM 670 O HIS A 46 2.679 -10.716 1.922 1.00 0.00 O ATOM 671 CB HIS A 46 0.246 -8.572 1.863 1.00 0.00 C ATOM 672 CG HIS A 46 -0.092 -9.486 3.005 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.660 -10.733 2.836 1.00 0.00 N ATOM 674 CD2 HIS A 46 0.062 -9.325 4.339 1.00 0.00 C ATOM 675 CE1 HIS A 46 -0.840 -11.295 4.017 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.409 -10.461 4.945 1.00 0.00 N ATOM 0 H HIS A 46 1.187 -7.086 0.124 1.00 0.00 H new ATOM 0 HA HIS A 46 2.300 -8.255 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.078 -7.561 2.109 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.315 -8.881 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.479 -8.461 4.835 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.267 -12.271 4.194 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.424 -10.634 5.950 1.00 0.00 H new ATOM 685 N ASP A 47 2.025 -10.254 -0.178 1.00 0.00 N ATOM 686 CA ASP A 47 2.425 -11.552 -0.702 1.00 0.00 C ATOM 687 C ASP A 47 3.941 -11.710 -0.655 1.00 0.00 C ATOM 688 O ASP A 47 4.455 -12.773 -0.308 1.00 0.00 O ATOM 689 CB ASP A 47 1.928 -11.727 -2.136 1.00 0.00 C ATOM 690 CG ASP A 47 2.333 -13.063 -2.721 1.00 0.00 C ATOM 691 OD1 ASP A 47 1.604 -14.054 -2.511 1.00 0.00 O ATOM 692 OD2 ASP A 47 3.386 -13.128 -3.393 1.00 0.00 O ATOM 0 H ASP A 47 1.617 -9.626 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 47 1.974 -12.322 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.842 -11.637 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.325 -10.924 -2.757 1.00 0.00 H new ATOM 697 N LEU A 48 4.651 -10.638 -0.990 1.00 0.00 N ATOM 698 CA LEU A 48 6.110 -10.634 -0.933 1.00 0.00 C ATOM 699 C LEU A 48 6.592 -10.871 0.492 1.00 0.00 C ATOM 700 O LEU A 48 7.658 -11.445 0.714 1.00 0.00 O ATOM 701 CB LEU A 48 6.672 -9.305 -1.446 1.00 0.00 C ATOM 702 CG LEU A 48 6.466 -9.030 -2.938 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.974 -7.640 -3.287 1.00 0.00 C ATOM 704 CD2 LEU A 48 7.178 -10.084 -3.776 1.00 0.00 C ATOM 0 H LEU A 48 4.240 -9.759 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 48 6.469 -11.441 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.214 -8.495 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.741 -9.277 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 48 5.400 -9.078 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.823 -7.454 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.427 -6.897 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.037 -7.572 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.022 -9.874 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.245 -10.064 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.777 -11.069 -3.539 1.00 0.00 H new ATOM 716 N GLY A 49 5.795 -10.437 1.454 1.00 0.00 N ATOM 717 CA GLY A 49 6.161 -10.591 2.843 1.00 0.00 C ATOM 718 C GLY A 49 6.239 -9.261 3.557 1.00 0.00 C ATOM 719 O GLY A 49 6.541 -9.205 4.746 1.00 0.00 O ATOM 0 H GLY A 49 4.897 -9.979 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.431 -11.228 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.124 -11.096 2.911 1.00 0.00 H new ATOM 723 N VAL A 50 5.971 -8.190 2.826 1.00 0.00 N ATOM 724 CA VAL A 50 5.965 -6.854 3.401 1.00 0.00 C ATOM 725 C VAL A 50 4.529 -6.402 3.638 1.00 0.00 C ATOM 726 O VAL A 50 3.847 -5.954 2.717 1.00 0.00 O ATOM 727 CB VAL A 50 6.683 -5.833 2.489 1.00 0.00 C ATOM 728 CG1 VAL A 50 6.745 -4.467 3.156 1.00 0.00 C ATOM 729 CG2 VAL A 50 8.082 -6.318 2.128 1.00 0.00 C ATOM 0 H VAL A 50 5.754 -8.221 1.830 1.00 0.00 H new ATOM 0 HA VAL A 50 6.505 -6.898 4.347 1.00 0.00 H new ATOM 0 HB VAL A 50 6.108 -5.739 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.254 -3.763 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.733 -4.112 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.292 -4.545 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.567 -5.583 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.668 -6.448 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.013 -7.270 1.602 1.00 0.00 H new ATOM 739 N PRO A 51 4.036 -6.542 4.871 1.00 0.00 N ATOM 740 CA PRO A 51 2.662 -6.207 5.202 1.00 0.00 C ATOM 741 C PRO A 51 2.482 -4.721 5.483 1.00 0.00 C ATOM 742 O PRO A 51 3.202 -4.137 6.293 1.00 0.00 O ATOM 743 CB PRO A 51 2.401 -7.037 6.457 1.00 0.00 C ATOM 744 CG PRO A 51 3.732 -7.154 7.126 1.00 0.00 C ATOM 745 CD PRO A 51 4.781 -7.033 6.046 1.00 0.00 C ATOM 0 HA PRO A 51 1.972 -6.419 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.674 -6.551 7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.998 -8.018 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.857 -6.372 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.821 -8.109 7.644 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.571 -6.340 6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.257 -7.993 5.843 1.00 0.00 H new ATOM 753 N VAL A 52 1.530 -4.113 4.794 1.00 0.00 N ATOM 754 CA VAL A 52 1.211 -2.714 5.014 1.00 0.00 C ATOM 755 C VAL A 52 0.426 -2.560 6.310 1.00 0.00 C ATOM 756 O VAL A 52 -0.761 -2.870 6.367 1.00 0.00 O ATOM 757 CB VAL A 52 0.395 -2.122 3.841 1.00 0.00 C ATOM 758 CG1 VAL A 52 0.167 -0.630 4.039 1.00 0.00 C ATOM 759 CG2 VAL A 52 1.083 -2.395 2.509 1.00 0.00 C ATOM 0 H VAL A 52 0.965 -4.568 4.077 1.00 0.00 H new ATOM 0 HA VAL A 52 2.151 -2.166 5.081 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.578 -2.613 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.409 -0.236 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.382 -0.466 4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.128 -0.119 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.490 -1.969 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.074 -1.941 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.178 -3.471 2.362 1.00 0.00 H new ATOM 769 N SER A 53 1.109 -2.133 7.360 1.00 0.00 N ATOM 770 CA SER A 53 0.473 -1.924 8.650 1.00 0.00 C ATOM 771 C SER A 53 -0.448 -0.706 8.605 1.00 0.00 C ATOM 772 O SER A 53 -0.024 0.387 8.235 1.00 0.00 O ATOM 773 CB SER A 53 1.539 -1.735 9.728 1.00 0.00 C ATOM 774 OG SER A 53 2.446 -2.824 9.739 1.00 0.00 O ATOM 0 H SER A 53 2.107 -1.924 7.343 1.00 0.00 H new ATOM 0 HA SER A 53 -0.128 -2.801 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.081 -0.807 9.550 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.063 -1.643 10.704 1.00 0.00 H new ATOM 0 HG SER A 53 3.120 -2.681 10.435 1.00 0.00 H new ATOM 780 N PRO A 54 -1.724 -0.877 8.987 1.00 0.00 N ATOM 781 CA PRO A 54 -2.691 0.227 9.036 1.00 0.00 C ATOM 782 C PRO A 54 -2.225 1.346 9.968 1.00 0.00 C ATOM 783 O PRO A 54 -2.624 2.500 9.824 1.00 0.00 O ATOM 784 CB PRO A 54 -3.964 -0.426 9.584 1.00 0.00 C ATOM 785 CG PRO A 54 -3.801 -1.884 9.313 1.00 0.00 C ATOM 786 CD PRO A 54 -2.327 -2.159 9.390 1.00 0.00 C ATOM 0 HA PRO A 54 -2.829 0.693 8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.078 -0.234 10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.853 -0.031 9.092 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.347 -2.480 10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.195 -2.144 8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.023 -2.448 10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.033 -2.970 8.723 1.00 0.00 H new ATOM 794 N GLU A 55 -1.354 0.980 10.902 1.00 0.00 N ATOM 795 CA GLU A 55 -0.792 1.918 11.864 1.00 0.00 C ATOM 796 C GLU A 55 -0.050 3.054 11.158 1.00 0.00 C ATOM 797 O GLU A 55 -0.341 4.231 11.382 1.00 0.00 O ATOM 798 CB GLU A 55 0.156 1.171 12.801 1.00 0.00 C ATOM 799 CG GLU A 55 0.768 2.037 13.885 1.00 0.00 C ATOM 800 CD GLU A 55 1.723 1.256 14.758 1.00 0.00 C ATOM 801 OE1 GLU A 55 1.250 0.470 15.604 1.00 0.00 O ATOM 802 OE2 GLU A 55 2.948 1.404 14.585 1.00 0.00 O ATOM 0 H GLU A 55 -1.018 0.023 11.013 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.606 2.359 12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.387 0.350 13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.957 0.727 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.296 2.873 13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.024 2.460 14.502 1.00 0.00 H new ATOM 809 N VAL A 56 0.895 2.697 10.291 1.00 0.00 N ATOM 810 CA VAL A 56 1.682 3.685 9.580 1.00 0.00 C ATOM 811 C VAL A 56 0.838 4.416 8.543 1.00 0.00 C ATOM 812 O VAL A 56 1.182 5.515 8.123 1.00 0.00 O ATOM 813 CB VAL A 56 2.909 3.047 8.898 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.821 2.406 9.930 1.00 0.00 C ATOM 815 CG2 VAL A 56 2.495 2.032 7.843 1.00 0.00 C ATOM 0 H VAL A 56 1.129 1.730 10.068 1.00 0.00 H new ATOM 0 HA VAL A 56 2.034 4.405 10.319 1.00 0.00 H new ATOM 0 HB VAL A 56 3.459 3.842 8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.681 1.961 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.163 3.164 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.274 1.632 10.468 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.385 1.602 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.909 1.240 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.894 2.526 7.079 1.00 0.00 H new ATOM 825 N VAL A 57 -0.269 3.800 8.140 1.00 0.00 N ATOM 826 CA VAL A 57 -1.206 4.434 7.223 1.00 0.00 C ATOM 827 C VAL A 57 -1.890 5.611 7.908 1.00 0.00 C ATOM 828 O VAL A 57 -1.934 6.715 7.368 1.00 0.00 O ATOM 829 CB VAL A 57 -2.275 3.440 6.719 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.269 4.138 5.807 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.621 2.272 5.999 1.00 0.00 C ATOM 0 H VAL A 57 -0.538 2.861 8.435 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.637 4.785 6.362 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.816 3.053 7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.013 3.420 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.764 4.940 6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.744 4.556 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.390 1.582 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.053 2.643 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.950 1.752 6.683 1.00 0.00 H new ATOM 841 N VAL A 58 -2.402 5.367 9.109 1.00 0.00 N ATOM 842 CA VAL A 58 -3.030 6.414 9.898 1.00 0.00 C ATOM 843 C VAL A 58 -2.020 7.510 10.229 1.00 0.00 C ATOM 844 O VAL A 58 -2.326 8.700 10.130 1.00 0.00 O ATOM 845 CB VAL A 58 -3.629 5.849 11.207 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.273 6.950 12.035 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.645 4.757 10.902 1.00 0.00 C ATOM 0 H VAL A 58 -2.393 4.450 9.556 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.839 6.835 9.302 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.814 5.418 11.789 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.686 6.524 12.949 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.523 7.699 12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.072 7.418 11.460 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.056 4.371 11.835 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.450 5.169 10.294 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.157 3.948 10.358 1.00 0.00 H new ATOM 857 N ALA A 59 -0.810 7.097 10.597 1.00 0.00 N ATOM 858 CA ALA A 59 0.255 8.036 10.923 1.00 0.00 C ATOM 859 C ALA A 59 0.642 8.866 9.701 1.00 0.00 C ATOM 860 O ALA A 59 0.825 10.078 9.803 1.00 0.00 O ATOM 861 CB ALA A 59 1.465 7.296 11.472 1.00 0.00 C ATOM 0 H ALA A 59 -0.544 6.115 10.676 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.113 8.716 11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.252 8.012 11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.182 6.754 12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.830 6.591 10.725 1.00 0.00 H new ATOM 867 N ARG A 60 0.755 8.215 8.544 1.00 0.00 N ATOM 868 CA ARG A 60 1.075 8.918 7.307 1.00 0.00 C ATOM 869 C ARG A 60 -0.043 9.878 6.943 1.00 0.00 C ATOM 870 O ARG A 60 0.211 10.972 6.458 1.00 0.00 O ATOM 871 CB ARG A 60 1.298 7.942 6.149 1.00 0.00 C ATOM 872 CG ARG A 60 2.705 7.962 5.575 1.00 0.00 C ATOM 873 CD ARG A 60 3.165 9.376 5.251 1.00 0.00 C ATOM 874 NE ARG A 60 4.052 9.420 4.089 1.00 0.00 N ATOM 875 CZ ARG A 60 5.286 8.906 4.045 1.00 0.00 C ATOM 876 NH1 ARG A 60 5.844 8.377 5.128 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.979 8.965 2.916 1.00 0.00 N ATOM 0 H ARG A 60 0.630 7.208 8.439 1.00 0.00 H new ATOM 0 HA ARG A 60 1.998 9.473 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.073 6.932 6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.590 8.174 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.395 7.510 6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.737 7.354 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.294 10.005 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.681 9.794 6.115 1.00 0.00 H new ATOM 0 HE ARG A 60 3.703 9.878 3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.331 8.359 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.786 7.989 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.570 9.400 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.921 8.575 2.875 1.00 0.00 H new ATOM 891 N GLY A 61 -1.277 9.466 7.188 1.00 0.00 N ATOM 892 CA GLY A 61 -2.417 10.299 6.865 1.00 0.00 C ATOM 893 C GLY A 61 -2.402 11.627 7.593 1.00 0.00 C ATOM 894 O GLY A 61 -2.634 12.678 6.988 1.00 0.00 O ATOM 0 H GLY A 61 -1.511 8.566 7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.436 10.480 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.334 9.764 7.114 1.00 0.00 H new ATOM 898 N GLU A 62 -2.118 11.585 8.886 1.00 0.00 N ATOM 899 CA GLU A 62 -2.096 12.792 9.701 1.00 0.00 C ATOM 900 C GLU A 62 -0.793 13.571 9.522 1.00 0.00 C ATOM 901 O GLU A 62 -0.733 14.764 9.814 1.00 0.00 O ATOM 902 CB GLU A 62 -2.317 12.440 11.174 1.00 0.00 C ATOM 903 CG GLU A 62 -1.428 11.322 11.688 1.00 0.00 C ATOM 904 CD GLU A 62 -1.664 11.029 13.151 1.00 0.00 C ATOM 905 OE1 GLU A 62 -2.655 10.337 13.474 1.00 0.00 O ATOM 906 OE2 GLU A 62 -0.872 11.506 13.992 1.00 0.00 O ATOM 0 H GLU A 62 -1.899 10.728 9.394 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.909 13.436 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.147 13.331 11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.359 12.154 11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.610 10.419 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.383 11.593 11.538 1.00 0.00 H new ATOM 913 N GLN A 63 0.242 12.897 9.043 1.00 0.00 N ATOM 914 CA GLN A 63 1.531 13.542 8.807 1.00 0.00 C ATOM 915 C GLN A 63 1.550 14.188 7.425 1.00 0.00 C ATOM 916 O GLN A 63 1.809 15.380 7.290 1.00 0.00 O ATOM 917 CB GLN A 63 2.664 12.511 8.946 1.00 0.00 C ATOM 918 CG GLN A 63 4.078 13.089 8.971 1.00 0.00 C ATOM 919 CD GLN A 63 4.639 13.408 7.595 1.00 0.00 C ATOM 920 OE1 GLN A 63 4.536 14.530 7.109 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.240 12.414 6.959 1.00 0.00 N ATOM 0 H GLN A 63 0.217 11.904 8.809 1.00 0.00 H new ATOM 0 HA GLN A 63 1.683 14.325 9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.505 11.944 9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.593 11.805 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.077 13.999 9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.741 12.380 9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.306 11.495 7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.637 12.568 6.032 1.00 0.00 H new ATOM 930 N GLU A 64 1.230 13.394 6.416 1.00 0.00 N ATOM 931 CA GLU A 64 1.330 13.825 5.026 1.00 0.00 C ATOM 932 C GLU A 64 0.207 14.799 4.686 1.00 0.00 C ATOM 933 O GLU A 64 0.406 15.773 3.956 1.00 0.00 O ATOM 934 CB GLU A 64 1.251 12.604 4.109 1.00 0.00 C ATOM 935 CG GLU A 64 1.797 12.828 2.709 1.00 0.00 C ATOM 936 CD GLU A 64 3.306 12.805 2.676 1.00 0.00 C ATOM 937 OE1 GLU A 64 3.926 13.872 2.857 1.00 0.00 O ATOM 938 OE2 GLU A 64 3.880 11.707 2.477 1.00 0.00 O ATOM 0 H GLU A 64 0.895 12.438 6.533 1.00 0.00 H new ATOM 0 HA GLU A 64 2.284 14.332 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.799 11.783 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.210 12.290 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.409 12.058 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.441 13.787 2.331 1.00 0.00 H new ATOM 945 N GLY A 65 -0.973 14.526 5.219 1.00 0.00 N ATOM 946 CA GLY A 65 -2.114 15.371 4.954 1.00 0.00 C ATOM 947 C GLY A 65 -3.114 14.701 4.036 1.00 0.00 C ATOM 948 O GLY A 65 -3.362 15.173 2.925 1.00 0.00 O ATOM 0 H GLY A 65 -1.160 13.732 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.601 15.628 5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.777 16.305 4.504 1.00 0.00 H new ATOM 952 N TRP A 66 -3.669 13.587 4.494 1.00 0.00 N ATOM 953 CA TRP A 66 -4.676 12.857 3.733 1.00 0.00 C ATOM 954 C TRP A 66 -6.063 13.226 4.247 1.00 0.00 C ATOM 955 O TRP A 66 -6.197 13.721 5.367 1.00 0.00 O ATOM 956 CB TRP A 66 -4.481 11.337 3.867 1.00 0.00 C ATOM 957 CG TRP A 66 -3.123 10.823 3.471 1.00 0.00 C ATOM 958 CD1 TRP A 66 -2.051 11.545 3.028 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.699 9.451 3.485 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.987 10.711 2.782 1.00 0.00 N ATOM 961 CE2 TRP A 66 -1.362 9.421 3.053 1.00 0.00 C ATOM 962 CE3 TRP A 66 -3.324 8.248 3.827 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.635 8.235 2.956 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.605 7.074 3.725 1.00 0.00 C ATOM 965 CH2 TRP A 66 -1.273 7.075 3.294 1.00 0.00 C ATOM 0 H TRP A 66 -3.438 13.167 5.394 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.573 13.129 2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.670 11.053 4.902 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -5.233 10.836 3.257 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.041 12.616 2.891 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.068 11.004 2.451 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.350 8.237 4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.393 8.233 2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.078 6.138 3.982 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.738 6.139 3.227 1.00 0.00 H new ATOM 976 N ASN A 67 -7.091 12.980 3.445 1.00 0.00 N ATOM 977 CA ASN A 67 -8.457 13.229 3.885 1.00 0.00 C ATOM 978 C ASN A 67 -9.027 11.976 4.555 1.00 0.00 C ATOM 979 O ASN A 67 -8.557 10.863 4.297 1.00 0.00 O ATOM 980 CB ASN A 67 -9.343 13.728 2.721 1.00 0.00 C ATOM 981 CG ASN A 67 -9.363 12.821 1.501 1.00 0.00 C ATOM 982 OD1 ASN A 67 -9.370 11.600 1.610 1.00 0.00 O ATOM 983 ND2 ASN A 67 -9.363 13.423 0.319 1.00 0.00 N ATOM 0 H ASN A 67 -7.007 12.613 2.497 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.448 14.029 4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.364 13.847 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.996 14.716 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.369 12.867 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.357 14.442 0.265 1.00 0.00 H new ATOM 990 N PRO A 68 -10.003 12.159 5.470 1.00 0.00 N ATOM 991 CA PRO A 68 -10.592 11.089 6.288 1.00 0.00 C ATOM 992 C PRO A 68 -10.805 9.769 5.545 1.00 0.00 C ATOM 993 O PRO A 68 -10.232 8.743 5.925 1.00 0.00 O ATOM 994 CB PRO A 68 -11.944 11.672 6.737 1.00 0.00 C ATOM 995 CG PRO A 68 -11.996 13.079 6.225 1.00 0.00 C ATOM 996 CD PRO A 68 -10.600 13.451 5.812 1.00 0.00 C ATOM 0 HA PRO A 68 -9.921 10.824 7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.771 11.084 6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.033 11.652 7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.681 13.157 5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.363 13.756 6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.599 14.134 4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.058 13.945 6.619 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.612 9.793 4.488 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.960 8.571 3.769 1.00 0.00 C ATOM 1006 C GLU A 69 -10.735 7.888 3.173 1.00 0.00 C ATOM 1007 O GLU A 69 -10.644 6.669 3.203 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.992 8.853 2.679 1.00 0.00 C ATOM 1009 CG GLU A 69 -14.418 8.919 3.197 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.946 7.567 3.636 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -14.458 7.026 4.651 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -15.855 7.035 2.965 1.00 0.00 O ATOM 0 H GLU A 69 -12.036 10.641 4.112 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.396 7.888 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.746 9.797 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.926 8.076 1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.463 9.612 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.065 9.321 2.417 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.792 8.666 2.650 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.570 8.100 2.071 1.00 0.00 C ATOM 1021 C PHE A 70 -7.726 7.431 3.146 1.00 0.00 C ATOM 1022 O PHE A 70 -7.228 6.318 2.957 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.755 9.186 1.364 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.468 8.705 0.747 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.415 7.519 0.030 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.310 9.454 0.875 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.234 7.092 -0.543 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.128 9.032 0.302 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.090 7.851 -0.408 1.00 0.00 C ATOM 0 H PHE A 70 -9.846 9.684 2.613 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.861 7.348 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.371 9.634 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.526 9.974 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.308 6.922 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.333 10.380 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.206 6.165 -1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.233 9.627 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.166 7.520 -0.858 1.00 0.00 H new ATOM 1039 N THR A 71 -7.582 8.109 4.272 1.00 0.00 N ATOM 1040 CA THR A 71 -6.812 7.588 5.389 1.00 0.00 C ATOM 1041 C THR A 71 -7.385 6.248 5.852 1.00 0.00 C ATOM 1042 O THR A 71 -6.655 5.263 6.007 1.00 0.00 O ATOM 1043 CB THR A 71 -6.816 8.581 6.569 1.00 0.00 C ATOM 1044 OG1 THR A 71 -6.469 9.894 6.106 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.832 8.149 7.647 1.00 0.00 C ATOM 0 H THR A 71 -7.992 9.028 4.437 1.00 0.00 H new ATOM 0 HA THR A 71 -5.786 7.445 5.050 1.00 0.00 H new ATOM 0 HB THR A 71 -7.819 8.595 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.231 10.285 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.854 8.866 8.468 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.110 7.163 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.827 8.109 7.227 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.698 6.209 6.040 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.356 5.011 6.533 1.00 0.00 C ATOM 1055 C LYS A 72 -9.505 3.970 5.425 1.00 0.00 C ATOM 1056 O LYS A 72 -9.569 2.775 5.700 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.725 5.350 7.123 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.334 4.196 7.901 1.00 0.00 C ATOM 1059 CD LYS A 72 -12.770 4.475 8.303 1.00 0.00 C ATOM 1060 CE LYS A 72 -13.357 3.307 9.078 1.00 0.00 C ATOM 1061 NZ LYS A 72 -13.163 2.016 8.363 1.00 0.00 N ATOM 0 H LYS A 72 -9.325 6.993 5.858 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.730 4.588 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.628 6.214 7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.402 5.636 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.297 3.291 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.738 4.006 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.812 5.378 8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.370 4.663 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.890 3.252 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.422 3.476 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.977 1.394 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.081 2.194 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.295 1.557 8.705 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.572 4.428 4.175 1.00 0.00 N ATOM 1076 CA LYS A 73 -9.629 3.528 3.028 1.00 0.00 C ATOM 1077 C LYS A 73 -8.460 2.560 3.075 1.00 0.00 C ATOM 1078 O LYS A 73 -8.644 1.362 3.291 1.00 0.00 O ATOM 1079 CB LYS A 73 -9.574 4.318 1.718 1.00 0.00 C ATOM 1080 CG LYS A 73 -10.686 4.001 0.732 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.042 4.446 1.248 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.091 4.411 0.151 1.00 0.00 C ATOM 1083 NZ LYS A 73 -13.268 3.046 -0.410 1.00 0.00 N ATOM 0 H LYS A 73 -9.588 5.419 3.933 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.569 2.977 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.607 5.382 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.615 4.127 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.480 4.493 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.705 2.928 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.351 3.799 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.967 5.457 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.042 4.765 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.804 5.096 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.943 3.080 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.353 2.690 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.633 2.412 0.329 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.256 3.100 2.919 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.049 2.288 2.873 1.00 0.00 C ATOM 1099 C VAL A 74 -5.879 1.493 4.163 1.00 0.00 C ATOM 1100 O VAL A 74 -5.514 0.318 4.130 1.00 0.00 O ATOM 1101 CB VAL A 74 -4.793 3.153 2.631 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -3.559 2.285 2.435 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -4.997 4.076 1.442 1.00 0.00 C ATOM 0 H VAL A 74 -7.092 4.102 2.822 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.160 1.597 2.038 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.633 3.767 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.690 2.921 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.397 1.677 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.705 1.634 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.100 4.676 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.192 3.482 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.845 4.733 1.633 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.166 2.134 5.293 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.065 1.478 6.592 1.00 0.00 C ATOM 1115 C ALA A 75 -7.006 0.279 6.673 1.00 0.00 C ATOM 1116 O ALA A 75 -6.634 -0.776 7.178 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.363 2.462 7.712 1.00 0.00 C ATOM 0 H ALA A 75 -6.470 3.107 5.335 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.043 1.117 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.283 1.954 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.647 3.283 7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.373 2.855 7.592 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.220 0.447 6.161 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.200 -0.622 6.187 1.00 0.00 C ATOM 1125 C GLY A 76 -8.804 -1.793 5.308 1.00 0.00 C ATOM 1126 O GLY A 76 -8.982 -2.953 5.691 1.00 0.00 O ATOM 0 H GLY A 76 -8.544 1.311 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.328 -0.968 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.164 -0.235 5.858 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.263 -1.499 4.128 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.803 -2.551 3.227 1.00 0.00 C ATOM 1132 C TRP A 77 -6.665 -3.310 3.892 1.00 0.00 C ATOM 1133 O TRP A 77 -6.684 -4.537 3.982 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.290 -1.989 1.896 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.162 -0.949 1.263 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.509 -0.789 1.404 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -7.727 0.074 0.362 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -9.932 0.289 0.665 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -8.857 0.827 0.007 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -6.487 0.425 -0.174 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -8.783 1.915 -0.858 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -6.416 1.503 -1.033 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -7.557 2.235 -1.369 1.00 0.00 C ATOM 0 H TRP A 77 -8.133 -0.550 3.776 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.652 -3.202 3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.301 -1.561 2.058 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.169 -2.814 1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.148 -1.417 2.007 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -10.891 0.633 0.614 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.600 -0.136 0.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.663 2.486 -1.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.462 1.785 -1.453 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -7.468 3.071 -2.047 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.684 -2.549 4.374 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.512 -3.105 5.027 1.00 0.00 C ATOM 1156 C ALA A 78 -4.910 -3.934 6.241 1.00 0.00 C ATOM 1157 O ALA A 78 -4.335 -4.989 6.493 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.566 -1.987 5.430 1.00 0.00 C ATOM 0 H ALA A 78 -5.684 -1.530 4.320 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.001 -3.764 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.689 -2.411 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.255 -1.436 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.074 -1.311 6.118 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.901 -3.445 6.977 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.441 -4.146 8.136 1.00 0.00 C ATOM 1166 C GLU A 79 -6.826 -5.571 7.764 1.00 0.00 C ATOM 1167 O GLU A 79 -6.418 -6.527 8.424 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.653 -3.368 8.682 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.428 -4.063 9.797 1.00 0.00 C ATOM 1170 CD GLU A 79 -9.584 -4.902 9.284 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -10.609 -4.319 8.859 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -9.485 -6.145 9.319 1.00 0.00 O ATOM 0 H GLU A 79 -6.353 -2.551 6.787 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.680 -4.203 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.307 -2.402 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.337 -3.168 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.747 -4.700 10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.810 -3.312 10.488 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.577 -5.709 6.685 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.079 -7.008 6.266 1.00 0.00 C ATOM 1181 C LYS A 80 -6.962 -7.878 5.702 1.00 0.00 C ATOM 1182 O LYS A 80 -6.875 -9.074 6.000 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.189 -6.811 5.238 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.256 -5.869 5.747 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.446 -5.768 4.816 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.400 -4.685 5.288 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.693 -4.805 6.743 1.00 0.00 N ATOM 0 H LYS A 80 -7.854 -4.935 6.081 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.482 -7.527 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.765 -6.417 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.638 -7.775 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.595 -6.207 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.823 -4.878 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.106 -5.546 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.965 -6.726 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.968 -3.705 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.330 -4.748 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.525 -4.227 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.885 -5.800 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.874 -4.472 7.291 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.092 -7.269 4.911 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.999 -7.992 4.277 1.00 0.00 C ATOM 1203 C VAL A 81 -3.971 -8.464 5.311 1.00 0.00 C ATOM 1204 O VAL A 81 -3.459 -9.581 5.220 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.302 -7.127 3.202 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.170 -7.895 2.539 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.305 -6.659 2.155 1.00 0.00 C ATOM 0 H VAL A 81 -6.121 -6.273 4.692 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.433 -8.867 3.792 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.881 -6.252 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.695 -7.266 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.434 -8.180 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.568 -8.791 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.794 -6.052 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.757 -7.525 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.082 -6.065 2.636 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.686 -7.620 6.300 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.710 -7.952 7.334 1.00 0.00 C ATOM 1219 C ALA A 82 -3.254 -9.014 8.282 1.00 0.00 C ATOM 1220 O ALA A 82 -2.524 -9.917 8.696 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.308 -6.706 8.110 1.00 0.00 C ATOM 0 H ALA A 82 -4.117 -6.702 6.407 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.826 -8.358 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.580 -6.973 8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.867 -5.979 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.189 -6.272 8.582 1.00 0.00 H new ATOM 1227 N SER A 83 -4.537 -8.904 8.611 1.00 0.00 N ATOM 1228 CA SER A 83 -5.180 -9.861 9.500 1.00 0.00 C ATOM 1229 C SER A 83 -5.236 -11.247 8.864 1.00 0.00 C ATOM 1230 O SER A 83 -5.250 -12.261 9.561 1.00 0.00 O ATOM 1231 CB SER A 83 -6.590 -9.390 9.858 1.00 0.00 C ATOM 1232 OG SER A 83 -6.554 -8.112 10.477 1.00 0.00 O ATOM 0 H SER A 83 -5.150 -8.162 8.275 1.00 0.00 H new ATOM 0 HA SER A 83 -4.586 -9.927 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.203 -9.346 8.958 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.060 -10.110 10.528 1.00 0.00 H new ATOM 0 HG SER A 83 -6.217 -7.449 9.839 1.00 0.00 H new ATOM 1238 N GLY A 84 -5.271 -11.286 7.538 1.00 0.00 N ATOM 1239 CA GLY A 84 -5.232 -12.554 6.839 1.00 0.00 C ATOM 1240 C GLY A 84 -6.538 -12.888 6.155 1.00 0.00 C ATOM 1241 O GLY A 84 -6.828 -14.057 5.897 1.00 0.00 O ATOM 0 H GLY A 84 -5.326 -10.464 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.434 -12.530 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.985 -13.346 7.546 1.00 0.00 H new ATOM 1245 N ASN A 85 -7.339 -11.873 5.863 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.580 -12.089 5.134 1.00 0.00 C ATOM 1247 C ASN A 85 -8.328 -11.896 3.651 1.00 0.00 C ATOM 1248 O ASN A 85 -7.190 -11.678 3.227 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.702 -11.142 5.597 1.00 0.00 C ATOM 1250 CG ASN A 85 -10.177 -11.401 7.021 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -11.353 -11.212 7.335 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.280 -11.824 7.894 1.00 0.00 N ATOM 0 H ASN A 85 -7.155 -10.902 6.116 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.912 -13.108 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.350 -10.113 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.549 -11.239 4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.554 -12.004 8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.314 -11.971 7.602 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.378 -11.984 2.861 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.258 -11.792 1.433 1.00 0.00 C ATOM 1261 C ARG A 86 -10.389 -10.921 0.910 1.00 0.00 C ATOM 1262 O ARG A 86 -11.546 -11.063 1.315 1.00 0.00 O ATOM 1263 CB ARG A 86 -9.242 -13.139 0.713 1.00 0.00 C ATOM 1264 CG ARG A 86 -10.438 -14.015 1.032 1.00 0.00 C ATOM 1265 CD ARG A 86 -10.310 -15.371 0.357 1.00 0.00 C ATOM 1266 NE ARG A 86 -11.486 -16.219 0.551 1.00 0.00 N ATOM 1267 CZ ARG A 86 -11.469 -17.548 0.446 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -10.328 -18.188 0.205 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -12.591 -18.242 0.603 1.00 0.00 N ATOM 0 H ARG A 86 -10.324 -12.187 3.185 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.315 -11.282 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.206 -12.966 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.330 -13.673 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.520 -14.147 2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.353 -13.524 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.146 -15.225 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.431 -15.884 0.747 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.371 -15.767 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.461 -17.662 0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.321 -19.205 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.466 -17.758 0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.577 -19.259 0.523 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.037 -10.012 0.023 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.997 -9.098 -0.569 1.00 0.00 C ATOM 1285 C ILE A 87 -11.032 -9.300 -2.076 1.00 0.00 C ATOM 1286 O ILE A 87 -9.999 -9.251 -2.749 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.668 -7.622 -0.241 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -9.230 -7.290 -0.655 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.884 -7.351 1.245 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -8.796 -5.875 -0.311 1.00 0.00 C ATOM 0 H ILE A 87 -9.081 -9.885 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.976 -9.318 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.340 -6.978 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.553 -7.994 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.130 -7.438 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.649 -6.309 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.924 -7.550 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.233 -8.000 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.767 -5.721 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.447 -5.162 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.861 -5.726 0.767 1.00 0.00 H new ATOM 1302 N LEU A 88 -12.214 -9.545 -2.594 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.374 -9.822 -4.009 1.00 0.00 C ATOM 1304 C LEU A 88 -12.393 -8.534 -4.812 1.00 0.00 C ATOM 1305 O LEU A 88 -13.333 -7.742 -4.733 1.00 0.00 O ATOM 1306 CB LEU A 88 -13.639 -10.639 -4.280 1.00 0.00 C ATOM 1307 CG LEU A 88 -13.483 -12.158 -4.128 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -13.202 -12.543 -2.682 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -14.725 -12.865 -4.643 1.00 0.00 C ATOM 0 H LEU A 88 -13.082 -9.559 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.517 -10.416 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.422 -10.301 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.980 -10.425 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.627 -12.474 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.097 -13.625 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.280 -12.065 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.028 -12.215 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.603 -13.942 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.594 -12.536 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.870 -12.624 -5.696 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.330 -8.331 -5.573 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.203 -7.165 -6.432 1.00 0.00 C ATOM 1323 C ILE A 89 -11.865 -7.444 -7.785 1.00 0.00 C ATOM 1324 O ILE A 89 -11.944 -6.572 -8.649 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.710 -6.803 -6.622 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.551 -5.432 -7.285 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -8.997 -7.876 -7.436 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -8.109 -4.982 -7.394 1.00 0.00 C ATOM 0 H ILE A 89 -10.534 -8.967 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.705 -6.318 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.251 -6.753 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.990 -5.465 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.113 -4.693 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.949 -7.603 -7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.065 -8.832 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.467 -7.961 -8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.068 -4.004 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.672 -4.917 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.547 -5.701 -7.990 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.352 -8.684 -7.935 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.984 -9.173 -9.170 1.00 0.00 C ATOM 1342 C LYS A 90 -11.944 -9.359 -10.276 1.00 0.00 C ATOM 1343 O LYS A 90 -11.853 -10.429 -10.880 1.00 0.00 O ATOM 1344 CB LYS A 90 -14.114 -8.239 -9.634 1.00 0.00 C ATOM 1345 CG LYS A 90 -15.195 -8.026 -8.580 1.00 0.00 C ATOM 1346 CD LYS A 90 -16.285 -7.078 -9.063 1.00 0.00 C ATOM 1347 CE LYS A 90 -17.166 -7.721 -10.127 1.00 0.00 C ATOM 1348 NZ LYS A 90 -17.931 -8.882 -9.595 1.00 0.00 N ATOM 0 H LYS A 90 -12.318 -9.384 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.429 -10.144 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.688 -7.274 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.570 -8.652 -10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.640 -8.986 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.743 -7.626 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.901 -6.772 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.828 -6.175 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.861 -6.978 -10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.546 -8.048 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.714 -9.108 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.301 -9.705 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.314 -8.645 -8.657 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.162 -8.319 -10.520 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.091 -8.349 -11.502 1.00 0.00 C ATOM 1364 C ASN A 91 -9.111 -7.208 -11.236 1.00 0.00 C ATOM 1365 O ASN A 91 -9.522 -6.072 -11.005 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.647 -8.289 -12.938 1.00 0.00 C ATOM 1367 CG ASN A 91 -11.777 -7.280 -13.145 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -12.705 -7.536 -13.914 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -11.714 -6.128 -12.493 1.00 0.00 N ATOM 0 H ASN A 91 -11.254 -7.425 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.557 -9.294 -11.406 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.831 -8.045 -13.619 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.008 -9.280 -13.215 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.445 -5.428 -12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.935 -5.941 -11.862 1.00 0.00 H new ATOM 1376 N PRO A 92 -7.804 -7.511 -11.215 1.00 0.00 N ATOM 1377 CA PRO A 92 -6.759 -6.506 -10.976 1.00 0.00 C ATOM 1378 C PRO A 92 -6.818 -5.372 -11.992 1.00 0.00 C ATOM 1379 O PRO A 92 -7.108 -4.230 -11.635 1.00 0.00 O ATOM 1380 CB PRO A 92 -5.453 -7.295 -11.118 1.00 0.00 C ATOM 1381 CG PRO A 92 -5.839 -8.716 -10.883 1.00 0.00 C ATOM 1382 CD PRO A 92 -7.240 -8.856 -11.407 1.00 0.00 C ATOM 0 HA PRO A 92 -6.867 -6.026 -10.003 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.016 -7.162 -12.108 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.709 -6.962 -10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.160 -9.395 -11.398 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.793 -8.963 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.250 -9.151 -12.456 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.802 -9.611 -10.858 1.00 0.00 H new ATOM 1390 N GLU A 93 -6.534 -5.708 -13.251 1.00 0.00 N ATOM 1391 CA GLU A 93 -6.683 -4.792 -14.389 1.00 0.00 C ATOM 1392 C GLU A 93 -5.727 -3.600 -14.329 1.00 0.00 C ATOM 1393 O GLU A 93 -4.747 -3.541 -15.071 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.126 -4.281 -14.501 1.00 0.00 C ATOM 1395 CG GLU A 93 -9.164 -5.383 -14.623 1.00 0.00 C ATOM 1396 CD GLU A 93 -8.825 -6.383 -15.707 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -8.951 -6.040 -16.897 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -8.420 -7.518 -15.368 1.00 0.00 O ATOM 0 H GLU A 93 -6.191 -6.632 -13.515 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.428 -5.375 -15.274 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.355 -3.676 -13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.202 -3.626 -15.369 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.251 -5.902 -13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.137 -4.939 -14.834 1.00 0.00 H new ATOM 1405 N TYR A 94 -6.002 -2.675 -13.420 1.00 0.00 N ATOM 1406 CA TYR A 94 -5.341 -1.374 -13.404 1.00 0.00 C ATOM 1407 C TYR A 94 -3.934 -1.436 -12.812 1.00 0.00 C ATOM 1408 O TYR A 94 -3.284 -0.403 -12.647 1.00 0.00 O ATOM 1409 CB TYR A 94 -6.186 -0.369 -12.618 1.00 0.00 C ATOM 1410 CG TYR A 94 -7.610 -0.251 -13.110 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -7.894 -0.174 -14.469 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -8.671 -0.216 -12.215 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -9.196 -0.059 -14.920 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -9.974 -0.101 -12.658 1.00 0.00 C ATOM 1415 CZ TYR A 94 -10.230 -0.023 -14.009 1.00 0.00 C ATOM 1416 OH TYR A 94 -11.528 0.093 -14.454 1.00 0.00 O ATOM 0 H TYR A 94 -6.687 -2.803 -12.675 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.243 -1.053 -14.441 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.198 -0.661 -11.568 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.711 0.611 -12.671 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.085 -0.205 -15.184 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.474 -0.280 -11.155 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.401 0.002 -15.979 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.788 -0.072 -11.949 1.00 0.00 H new ATOM 0 HH TYR A 94 -12.137 0.103 -13.686 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.457 -2.633 -12.508 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.116 -2.790 -11.965 1.00 0.00 C ATOM 1428 C PHE A 95 -1.115 -2.904 -13.110 1.00 0.00 C ATOM 1429 O PHE A 95 -1.011 -3.949 -13.760 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.038 -4.014 -11.048 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.745 -4.110 -10.286 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -0.413 -3.156 -9.335 1.00 0.00 C ATOM 1433 CD2 PHE A 95 0.139 -5.151 -10.520 1.00 0.00 C ATOM 1434 CE1 PHE A 95 0.775 -3.239 -8.633 1.00 0.00 C ATOM 1435 CE2 PHE A 95 1.325 -5.239 -9.821 1.00 0.00 C ATOM 1436 CZ PHE A 95 1.643 -4.282 -8.877 1.00 0.00 C ATOM 0 H PHE A 95 -3.974 -3.504 -12.627 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.871 -1.914 -11.365 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.866 -3.981 -10.340 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.166 -4.916 -11.647 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.091 -2.338 -9.141 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.103 -5.902 -11.258 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.022 -2.489 -7.896 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.005 -6.056 -10.012 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.572 -4.351 -8.330 1.00 0.00 H new ATOM 1446 N SER A 96 -0.404 -1.820 -13.368 1.00 0.00 N ATOM 1447 CA SER A 96 0.504 -1.741 -14.499 1.00 0.00 C ATOM 1448 C SER A 96 1.926 -2.098 -14.108 1.00 0.00 C ATOM 1449 O SER A 96 2.259 -2.210 -12.923 1.00 0.00 O ATOM 1450 CB SER A 96 0.435 -0.341 -15.100 1.00 0.00 C ATOM 1451 OG SER A 96 0.438 0.648 -14.080 1.00 0.00 O ATOM 0 H SER A 96 -0.440 -0.973 -12.802 1.00 0.00 H new ATOM 0 HA SER A 96 0.194 -2.472 -15.246 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.283 -0.185 -15.767 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.467 -0.244 -15.704 1.00 0.00 H new ATOM 0 HG SER A 96 1.053 1.370 -14.326 1.00 0.00 H new ATOM 1457 N THR A 97 2.760 -2.257 -15.121 1.00 0.00 N ATOM 1458 CA THR A 97 4.081 -2.821 -14.956 1.00 0.00 C ATOM 1459 C THR A 97 5.024 -1.897 -14.194 1.00 0.00 C ATOM 1460 O THR A 97 5.885 -2.373 -13.465 1.00 0.00 O ATOM 1461 CB THR A 97 4.699 -3.152 -16.319 1.00 0.00 C ATOM 1462 OG1 THR A 97 3.674 -3.573 -17.227 1.00 0.00 O ATOM 1463 CG2 THR A 97 5.721 -4.257 -16.173 1.00 0.00 C ATOM 0 H THR A 97 2.536 -1.997 -16.082 1.00 0.00 H new ATOM 0 HA THR A 97 3.955 -3.731 -14.369 1.00 0.00 H new ATOM 0 HB THR A 97 5.188 -2.259 -16.708 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.073 -3.782 -18.097 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.153 -4.484 -17.148 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.509 -3.936 -15.492 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.238 -5.149 -15.774 1.00 0.00 H new ATOM 1471 N TYR A 98 4.856 -0.585 -14.347 1.00 0.00 N ATOM 1472 CA TYR A 98 5.763 0.377 -13.711 1.00 0.00 C ATOM 1473 C TYR A 98 5.805 0.144 -12.210 1.00 0.00 C ATOM 1474 O TYR A 98 6.873 0.127 -11.602 1.00 0.00 O ATOM 1475 CB TYR A 98 5.325 1.819 -13.966 1.00 0.00 C ATOM 1476 CG TYR A 98 4.462 2.001 -15.183 1.00 0.00 C ATOM 1477 CD1 TYR A 98 4.999 1.956 -16.460 1.00 0.00 C ATOM 1478 CD2 TYR A 98 3.105 2.221 -15.042 1.00 0.00 C ATOM 1479 CE1 TYR A 98 4.197 2.127 -17.571 1.00 0.00 C ATOM 1480 CE2 TYR A 98 2.294 2.394 -16.147 1.00 0.00 C ATOM 1481 CZ TYR A 98 2.845 2.345 -17.410 1.00 0.00 C ATOM 1482 OH TYR A 98 2.042 2.513 -18.517 1.00 0.00 O ATOM 0 H TYR A 98 4.109 -0.164 -14.899 1.00 0.00 H new ATOM 0 HA TYR A 98 6.750 0.226 -14.147 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.781 2.180 -13.093 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.213 2.443 -14.069 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.058 1.785 -16.588 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.672 2.258 -14.053 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.627 2.090 -18.561 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.235 2.567 -16.022 1.00 0.00 H new ATOM 0 HH TYR A 98 1.116 2.656 -18.231 1.00 0.00 H new ATOM 1492 N MET A 99 4.626 -0.050 -11.630 1.00 0.00 N ATOM 1493 CA MET A 99 4.507 -0.261 -10.199 1.00 0.00 C ATOM 1494 C MET A 99 5.151 -1.582 -9.803 1.00 0.00 C ATOM 1495 O MET A 99 5.961 -1.641 -8.879 1.00 0.00 O ATOM 1496 CB MET A 99 3.043 -0.249 -9.773 1.00 0.00 C ATOM 1497 CG MET A 99 2.349 1.074 -10.029 1.00 0.00 C ATOM 1498 SD MET A 99 0.611 1.036 -9.567 1.00 0.00 S ATOM 1499 CE MET A 99 0.119 2.717 -9.942 1.00 0.00 C ATOM 0 H MET A 99 3.739 -0.065 -12.133 1.00 0.00 H new ATOM 0 HA MET A 99 5.025 0.552 -9.691 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.512 -1.038 -10.305 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.980 -0.483 -8.710 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.854 1.861 -9.469 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.436 1.329 -11.085 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.540 3.087 -9.157 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.004 3.351 -10.001 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.407 2.738 -10.897 1.00 0.00 H new ATOM 1509 N GLN A 100 4.789 -2.634 -10.530 1.00 0.00 N ATOM 1510 CA GLN A 100 5.309 -3.973 -10.269 1.00 0.00 C ATOM 1511 C GLN A 100 6.825 -4.006 -10.432 1.00 0.00 C ATOM 1512 O GLN A 100 7.543 -4.467 -9.549 1.00 0.00 O ATOM 1513 CB GLN A 100 4.665 -4.983 -11.225 1.00 0.00 C ATOM 1514 CG GLN A 100 5.073 -6.426 -10.968 1.00 0.00 C ATOM 1515 CD GLN A 100 4.484 -7.386 -11.982 1.00 0.00 C ATOM 1516 OE1 GLN A 100 4.259 -7.031 -13.139 1.00 0.00 O ATOM 1517 NE2 GLN A 100 4.229 -8.612 -11.556 1.00 0.00 N ATOM 0 H GLN A 100 4.133 -2.585 -11.310 1.00 0.00 H new ATOM 0 HA GLN A 100 5.063 -4.240 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.581 -4.903 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.929 -4.718 -12.249 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.160 -6.502 -10.990 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.753 -6.718 -9.968 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.430 -8.868 -10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.832 -9.301 -12.194 1.00 0.00 H new ATOM 1526 N GLU A 101 7.296 -3.500 -11.564 1.00 0.00 N ATOM 1527 CA GLU A 101 8.712 -3.508 -11.905 1.00 0.00 C ATOM 1528 C GLU A 101 9.542 -2.777 -10.856 1.00 0.00 C ATOM 1529 O GLU A 101 10.558 -3.292 -10.393 1.00 0.00 O ATOM 1530 CB GLU A 101 8.909 -2.857 -13.274 1.00 0.00 C ATOM 1531 CG GLU A 101 10.358 -2.741 -13.704 1.00 0.00 C ATOM 1532 CD GLU A 101 10.517 -1.994 -15.006 1.00 0.00 C ATOM 1533 OE1 GLU A 101 10.544 -0.743 -14.983 1.00 0.00 O ATOM 1534 OE2 GLU A 101 10.610 -2.653 -16.062 1.00 0.00 O ATOM 0 H GLU A 101 6.704 -3.071 -12.275 1.00 0.00 H new ATOM 0 HA GLU A 101 9.052 -4.543 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.365 -3.436 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.466 -1.861 -13.258 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.925 -2.231 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.784 -3.739 -13.807 1.00 0.00 H new ATOM 1541 N GLN A 102 9.094 -1.583 -10.483 1.00 0.00 N ATOM 1542 CA GLN A 102 9.798 -0.759 -9.505 1.00 0.00 C ATOM 1543 C GLN A 102 10.032 -1.537 -8.210 1.00 0.00 C ATOM 1544 O GLN A 102 11.172 -1.718 -7.764 1.00 0.00 O ATOM 1545 CB GLN A 102 8.979 0.504 -9.219 1.00 0.00 C ATOM 1546 CG GLN A 102 9.767 1.802 -9.320 1.00 0.00 C ATOM 1547 CD GLN A 102 10.829 1.932 -8.250 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.571 2.459 -7.169 1.00 0.00 O ATOM 1549 NE2 GLN A 102 12.029 1.460 -8.546 1.00 0.00 N ATOM 0 H GLN A 102 8.239 -1.161 -10.846 1.00 0.00 H new ATOM 0 HA GLN A 102 10.769 -0.479 -9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.143 0.546 -9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.555 0.428 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.238 1.859 -10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.080 2.645 -9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.198 1.030 -9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.785 1.526 -7.865 1.00 0.00 H new ATOM 1558 N LEU A 103 8.944 -2.026 -7.636 1.00 0.00 N ATOM 1559 CA LEU A 103 8.996 -2.738 -6.369 1.00 0.00 C ATOM 1560 C LEU A 103 9.718 -4.075 -6.512 1.00 0.00 C ATOM 1561 O LEU A 103 10.515 -4.452 -5.654 1.00 0.00 O ATOM 1562 CB LEU A 103 7.578 -2.960 -5.820 1.00 0.00 C ATOM 1563 CG LEU A 103 6.942 -1.765 -5.088 1.00 0.00 C ATOM 1564 CD1 LEU A 103 6.842 -0.544 -5.990 1.00 0.00 C ATOM 1565 CD2 LEU A 103 5.563 -2.142 -4.563 1.00 0.00 C ATOM 0 H LEU A 103 8.007 -1.942 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 103 9.558 -2.123 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.929 -3.240 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.604 -3.808 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 103 7.589 -1.508 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.388 0.279 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.839 -0.253 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.227 -0.782 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.124 -1.288 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.923 -2.431 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.654 -2.977 -3.869 1.00 0.00 H new ATOM 1577 N LYS A 104 9.453 -4.781 -7.606 1.00 0.00 N ATOM 1578 CA LYS A 104 10.007 -6.117 -7.804 1.00 0.00 C ATOM 1579 C LYS A 104 11.514 -6.060 -8.026 1.00 0.00 C ATOM 1580 O LYS A 104 12.237 -6.952 -7.600 1.00 0.00 O ATOM 1581 CB LYS A 104 9.316 -6.819 -8.977 1.00 0.00 C ATOM 1582 CG LYS A 104 9.534 -8.323 -9.008 1.00 0.00 C ATOM 1583 CD LYS A 104 8.477 -9.020 -9.853 1.00 0.00 C ATOM 1584 CE LYS A 104 8.546 -10.530 -9.697 1.00 0.00 C ATOM 1585 NZ LYS A 104 7.409 -11.216 -10.369 1.00 0.00 N ATOM 0 H LYS A 104 8.860 -4.452 -8.368 1.00 0.00 H new ATOM 0 HA LYS A 104 9.822 -6.694 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.246 -6.618 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.680 -6.389 -9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.524 -8.540 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.508 -8.717 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.487 -8.668 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.615 -8.755 -10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.485 -10.894 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.547 -10.785 -8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.497 -12.244 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.513 -10.889 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.422 -10.995 -11.385 1.00 0.00 H new ATOM 1599 N GLU A 105 11.983 -5.003 -8.679 1.00 0.00 N ATOM 1600 CA GLU A 105 13.414 -4.826 -8.910 1.00 0.00 C ATOM 1601 C GLU A 105 14.124 -4.617 -7.574 1.00 0.00 C ATOM 1602 O GLU A 105 15.170 -5.213 -7.316 1.00 0.00 O ATOM 1603 CB GLU A 105 13.661 -3.643 -9.858 1.00 0.00 C ATOM 1604 CG GLU A 105 15.026 -3.654 -10.543 1.00 0.00 C ATOM 1605 CD GLU A 105 16.125 -2.985 -9.736 1.00 0.00 C ATOM 1606 OE1 GLU A 105 16.090 -1.745 -9.598 1.00 0.00 O ATOM 1607 OE2 GLU A 105 17.053 -3.688 -9.283 1.00 0.00 O ATOM 0 H GLU A 105 11.397 -4.258 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 105 13.817 -5.721 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.885 -3.639 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.559 -2.715 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.313 -4.686 -10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.941 -3.154 -11.508 1.00 0.00 H new ATOM 1614 N LEU A 106 13.523 -3.794 -6.715 1.00 0.00 N ATOM 1615 CA LEU A 106 14.056 -3.554 -5.376 1.00 0.00 C ATOM 1616 C LEU A 106 14.088 -4.846 -4.555 1.00 0.00 C ATOM 1617 O LEU A 106 15.067 -5.131 -3.864 1.00 0.00 O ATOM 1618 CB LEU A 106 13.217 -2.492 -4.653 1.00 0.00 C ATOM 1619 CG LEU A 106 13.258 -1.092 -5.269 1.00 0.00 C ATOM 1620 CD1 LEU A 106 12.270 -0.174 -4.566 1.00 0.00 C ATOM 1621 CD2 LEU A 106 14.666 -0.520 -5.190 1.00 0.00 C ATOM 0 H LEU A 106 12.666 -3.282 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 106 15.079 -3.191 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.181 -2.828 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.557 -2.426 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 106 12.973 -1.166 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.311 0.818 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.262 -0.577 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.527 -0.104 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.679 0.476 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.976 -0.458 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.353 -1.168 -5.735 1.00 0.00 H new ATOM 1633 N VAL A 107 13.020 -5.629 -4.643 1.00 0.00 N ATOM 1634 CA VAL A 107 12.921 -6.877 -3.893 1.00 0.00 C ATOM 1635 C VAL A 107 13.844 -7.947 -4.479 1.00 0.00 C ATOM 1636 O VAL A 107 14.388 -8.774 -3.750 1.00 0.00 O ATOM 1637 CB VAL A 107 11.466 -7.398 -3.860 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.379 -8.731 -3.131 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.551 -6.380 -3.199 1.00 0.00 C ATOM 0 H VAL A 107 12.209 -5.423 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 107 13.236 -6.665 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 107 11.141 -7.549 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.345 -9.074 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.001 -9.466 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.729 -8.609 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.531 -6.763 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.885 -6.199 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.580 -5.446 -3.761 1.00 0.00 H new ATOM 1649 N LEU A 108 14.040 -7.900 -5.793 1.00 0.00 N ATOM 1650 CA LEU A 108 14.859 -8.886 -6.497 1.00 0.00 C ATOM 1651 C LEU A 108 16.304 -8.883 -5.991 1.00 0.00 C ATOM 1652 O LEU A 108 17.035 -9.861 -6.164 1.00 0.00 O ATOM 1653 CB LEU A 108 14.835 -8.612 -8.004 1.00 0.00 C ATOM 1654 CG LEU A 108 15.562 -9.645 -8.878 1.00 0.00 C ATOM 1655 CD1 LEU A 108 14.889 -11.004 -8.783 1.00 0.00 C ATOM 1656 CD2 LEU A 108 15.612 -9.178 -10.323 1.00 0.00 C ATOM 0 H LEU A 108 13.639 -7.183 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 108 14.435 -9.871 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.796 -8.555 -8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.279 -7.633 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 108 16.583 -9.744 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.422 -11.719 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.905 -11.347 -7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.856 -10.923 -9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.130 -9.922 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.597 -9.048 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.144 -8.229 -10.380 1.00 0.00 H new ATOM 1668 N GLU A 109 16.709 -7.786 -5.359 1.00 0.00 N ATOM 1669 CA GLU A 109 18.060 -7.666 -4.821 1.00 0.00 C ATOM 1670 C GLU A 109 18.240 -8.569 -3.602 1.00 0.00 C ATOM 1671 O GLU A 109 19.364 -8.877 -3.207 1.00 0.00 O ATOM 1672 CB GLU A 109 18.371 -6.215 -4.448 1.00 0.00 C ATOM 1673 CG GLU A 109 18.218 -5.247 -5.608 1.00 0.00 C ATOM 1674 CD GLU A 109 18.783 -3.876 -5.302 1.00 0.00 C ATOM 1675 OE1 GLU A 109 18.184 -3.145 -4.485 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.831 -3.520 -5.883 1.00 0.00 O ATOM 0 H GLU A 109 16.121 -6.967 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 109 18.757 -7.983 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.710 -5.907 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 109 19.391 -6.156 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.720 -5.655 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.162 -5.152 -5.860 1.00 0.00 H new ATOM 1683 N HIS A 110 17.131 -8.995 -3.015 1.00 0.00 N ATOM 1684 CA HIS A 110 17.176 -9.915 -1.893 1.00 0.00 C ATOM 1685 C HIS A 110 16.785 -11.307 -2.366 1.00 0.00 C ATOM 1686 O HIS A 110 15.852 -11.465 -3.154 1.00 0.00 O ATOM 1687 CB HIS A 110 16.242 -9.453 -0.764 1.00 0.00 C ATOM 1688 CG HIS A 110 16.338 -10.285 0.487 1.00 0.00 C ATOM 1689 ND1 HIS A 110 15.236 -10.736 1.184 1.00 0.00 N ATOM 1690 CD2 HIS A 110 17.419 -10.739 1.168 1.00 0.00 C ATOM 1691 CE1 HIS A 110 15.634 -11.433 2.232 1.00 0.00 C ATOM 1692 NE2 HIS A 110 16.954 -11.451 2.244 1.00 0.00 N ATOM 0 H HIS A 110 16.191 -8.717 -3.298 1.00 0.00 H new ATOM 0 HA HIS A 110 18.191 -9.937 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 110 16.471 -8.416 -0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.214 -9.475 -1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.454 -10.571 0.911 1.00 0.00 H new ATOM 0 HE1 HIS A 110 14.989 -11.908 2.957 1.00 0.00 H new ATOM 0 HE2 HIS A 110 17.534 -11.919 2.941 1.00 0.00 H new