USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -134:sc= 0.332 (180deg=-1.71) USER MOD Set 2.2: A 68 ASN : amide:sc= -0.247 K(o=0.085,f=-1.1) USER MOD Set 3.1: A 51 ASN :FLIP amide:sc= 0.331 F(o=-0.39,f=0.98) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -179:sc= 0.648 (180deg=0.298) USER MOD Single : A 17 ASN : amide:sc= -0.413 K(o=-0.41,f=-2.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.037) USER MOD Single : A 23 THR OG1 : rot 70:sc= -0.849 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 134:sc= 0.154 USER MOD Single : A 43 GLN : amide:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 48 CYS SG : rot -122:sc= -0.0733 USER MOD Single : A 66 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 73 TYR OH : rot 15:sc= 0.249 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -71:sc= 0.00521 USER MOD Single : A 92 SER OG : rot 180:sc=-0.00865 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 171:sc= 0 (180deg=-0.114) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -2.32! C(o=-6.3!,f=-2.3!) USER MOD Single : A 100 TYR OH : rot 150:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -2.02 X(o=-2,f=-1.8) USER MOD Single : A 107 SER OG : rot -50:sc= 0.167 USER MOD Single : A 108 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-12!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.905 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.048 1.277 -15.545 1.00 0.00 N ATOM 168 CA PRO A 14 -1.875 1.228 -14.668 1.00 0.00 C ATOM 169 C PRO A 14 -2.249 0.960 -13.214 1.00 0.00 C ATOM 170 O PRO A 14 -1.709 0.053 -12.579 1.00 0.00 O ATOM 171 CB PRO A 14 -1.263 2.623 -14.814 1.00 0.00 C ATOM 172 CG PRO A 14 -2.403 3.497 -15.210 1.00 0.00 C ATOM 173 CD PRO A 14 -3.314 2.638 -16.042 1.00 0.00 C ATOM 0 HA PRO A 14 -1.196 0.420 -14.941 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.813 2.958 -13.879 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.476 2.633 -15.568 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.923 3.881 -14.333 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.054 4.360 -15.778 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.360 2.917 -15.911 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.091 2.728 -17.105 1.00 0.00 H new ATOM 181 N LEU A 15 -3.177 1.755 -12.691 1.00 0.00 N ATOM 182 CA LEU A 15 -3.624 1.604 -11.311 1.00 0.00 C ATOM 183 C LEU A 15 -5.145 1.518 -11.238 1.00 0.00 C ATOM 184 O LEU A 15 -5.854 2.518 -11.346 1.00 0.00 O ATOM 185 CB LEU A 15 -3.127 2.775 -10.461 1.00 0.00 C ATOM 186 CG LEU A 15 -1.780 2.575 -9.765 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.862 1.433 -8.764 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.685 2.313 -10.788 1.00 0.00 C ATOM 0 H LEU A 15 -3.634 2.510 -13.202 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.206 0.676 -10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.057 3.656 -11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.878 2.990 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.532 3.488 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.895 1.305 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.618 1.661 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.132 0.513 -9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.266 2.173 -10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.926 1.415 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.610 3.163 -11.466 1.00 0.00 H new ATOM 200 N PRO A 16 -5.661 0.294 -11.048 1.00 0.00 N ATOM 201 CA PRO A 16 -7.103 0.048 -10.953 1.00 0.00 C ATOM 202 C PRO A 16 -7.703 0.607 -9.667 1.00 0.00 C ATOM 203 O PRO A 16 -6.995 0.830 -8.687 1.00 0.00 O ATOM 204 CB PRO A 16 -7.204 -1.479 -10.970 1.00 0.00 C ATOM 205 CG PRO A 16 -5.891 -1.952 -10.448 1.00 0.00 C ATOM 206 CD PRO A 16 -4.875 -0.944 -10.910 1.00 0.00 C ATOM 0 HA PRO A 16 -7.653 0.534 -11.758 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.027 -1.828 -10.346 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.387 -1.852 -11.978 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.905 -2.021 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.655 -2.946 -10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.067 -0.828 -10.188 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.419 -1.238 -11.855 1.00 0.00 H new ATOM 214 N ASN A 17 -9.013 0.832 -9.680 1.00 0.00 N ATOM 215 CA ASN A 17 -9.708 1.365 -8.514 1.00 0.00 C ATOM 216 C ASN A 17 -10.072 0.249 -7.540 1.00 0.00 C ATOM 217 O ASN A 17 -11.098 0.313 -6.862 1.00 0.00 O ATOM 218 CB ASN A 17 -10.971 2.113 -8.946 1.00 0.00 C ATOM 219 CG ASN A 17 -10.663 3.307 -9.829 1.00 0.00 C ATOM 220 OD1 ASN A 17 -9.782 3.247 -10.687 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.389 4.399 -9.622 1.00 0.00 N ATOM 0 H ASN A 17 -9.614 0.654 -10.485 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.037 2.059 -8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.630 1.429 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.512 2.449 -8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.227 5.234 -10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.109 4.403 -8.899 1.00 0.00 H new ATOM 228 N SER A 18 -9.225 -0.773 -7.476 1.00 0.00 N ATOM 229 CA SER A 18 -9.459 -1.905 -6.587 1.00 0.00 C ATOM 230 C SER A 18 -8.390 -1.973 -5.501 1.00 0.00 C ATOM 231 O SER A 18 -8.670 -2.339 -4.359 1.00 0.00 O ATOM 232 CB SER A 18 -9.476 -3.211 -7.384 1.00 0.00 C ATOM 233 OG SER A 18 -10.598 -3.266 -8.248 1.00 0.00 O ATOM 0 H SER A 18 -8.371 -0.841 -8.029 1.00 0.00 H new ATOM 0 HA SER A 18 -10.429 -1.766 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.559 -3.297 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.498 -4.059 -6.699 1.00 0.00 H new ATOM 0 HG SER A 18 -10.585 -4.109 -8.747 1.00 0.00 H new ATOM 239 N VAL A 19 -7.162 -1.618 -5.865 1.00 0.00 N ATOM 240 CA VAL A 19 -6.049 -1.636 -4.923 1.00 0.00 C ATOM 241 C VAL A 19 -6.207 -0.551 -3.864 1.00 0.00 C ATOM 242 O VAL A 19 -5.878 -0.756 -2.696 1.00 0.00 O ATOM 243 CB VAL A 19 -4.701 -1.444 -5.643 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.560 -2.435 -6.788 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.565 -0.014 -6.144 1.00 0.00 C ATOM 0 H VAL A 19 -6.913 -1.314 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.059 -2.613 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.898 -1.634 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.601 -2.284 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.610 -3.451 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.367 -2.281 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.607 0.105 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.374 0.206 -6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.617 0.674 -5.300 1.00 0.00 H new ATOM 255 N PHE A 20 -6.715 0.604 -4.280 1.00 0.00 N ATOM 256 CA PHE A 20 -6.917 1.723 -3.367 1.00 0.00 C ATOM 257 C PHE A 20 -8.052 1.430 -2.390 1.00 0.00 C ATOM 258 O PHE A 20 -9.227 1.472 -2.756 1.00 0.00 O ATOM 259 CB PHE A 20 -7.222 3.001 -4.152 1.00 0.00 C ATOM 260 CG PHE A 20 -6.188 3.326 -5.192 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.230 2.729 -6.441 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.173 4.230 -4.920 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.280 3.026 -7.400 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.221 4.532 -5.875 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.274 3.928 -7.116 1.00 0.00 C ATOM 0 H PHE A 20 -6.994 0.790 -5.243 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.998 1.865 -2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.193 2.898 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.300 3.836 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.015 2.023 -6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.126 4.704 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.325 2.553 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.436 5.240 -5.651 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.530 4.161 -7.863 1.00 0.00 H new ATOM 275 N VAL A 21 -7.692 1.133 -1.146 1.00 0.00 N ATOM 276 CA VAL A 21 -8.679 0.833 -0.115 1.00 0.00 C ATOM 277 C VAL A 21 -8.731 1.938 0.934 1.00 0.00 C ATOM 278 O VAL A 21 -7.731 2.604 1.199 1.00 0.00 O ATOM 279 CB VAL A 21 -8.374 -0.506 0.581 1.00 0.00 C ATOM 280 CG1 VAL A 21 -7.004 -0.466 1.241 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.455 -0.836 1.599 1.00 0.00 C ATOM 0 H VAL A 21 -6.724 1.094 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.646 0.763 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.365 -1.293 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.807 -1.421 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.241 -0.279 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.981 0.331 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.223 -1.786 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.499 -0.048 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.419 -0.911 1.095 1.00 0.00 H new ATOM 291 N ASN A 22 -9.905 2.127 1.528 1.00 0.00 N ATOM 292 CA ASN A 22 -10.088 3.152 2.549 1.00 0.00 C ATOM 293 C ASN A 22 -9.885 2.572 3.945 1.00 0.00 C ATOM 294 O ASN A 22 -10.462 3.054 4.921 1.00 0.00 O ATOM 295 CB ASN A 22 -11.484 3.768 2.438 1.00 0.00 C ATOM 296 CG ASN A 22 -11.552 5.160 3.038 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.320 5.411 3.966 1.00 0.00 O ATOM 298 ND2 ASN A 22 -10.745 6.072 2.508 1.00 0.00 N ATOM 0 H ASN A 22 -10.743 1.584 1.320 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.341 3.929 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.776 3.813 1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.204 3.123 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.746 7.026 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.124 5.819 1.739 1.00 0.00 H new ATOM 305 N THR A 23 -9.061 1.533 4.035 1.00 0.00 N ATOM 306 CA THR A 23 -8.782 0.885 5.310 1.00 0.00 C ATOM 307 C THR A 23 -7.468 1.382 5.903 1.00 0.00 C ATOM 308 O THR A 23 -6.396 1.159 5.338 1.00 0.00 O ATOM 309 CB THR A 23 -8.719 -0.646 5.161 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.801 -1.268 6.449 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.432 -1.070 4.469 1.00 0.00 C ATOM 0 H THR A 23 -8.574 1.122 3.238 1.00 0.00 H new ATOM 0 HA THR A 23 -9.601 1.143 5.981 1.00 0.00 H new ATOM 0 HB THR A 23 -9.564 -0.964 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.704 -1.153 6.811 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.410 -2.156 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.386 -0.619 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.576 -0.739 5.058 1.00 0.00 H new ATOM 319 N THR A 24 -7.557 2.055 7.046 1.00 0.00 N ATOM 320 CA THR A 24 -6.375 2.583 7.715 1.00 0.00 C ATOM 321 C THR A 24 -5.883 1.629 8.798 1.00 0.00 C ATOM 322 O THR A 24 -5.272 2.052 9.779 1.00 0.00 O ATOM 323 CB THR A 24 -6.655 3.959 8.348 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.686 3.844 9.335 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.072 4.968 7.288 1.00 0.00 C ATOM 0 H THR A 24 -8.435 2.247 7.527 1.00 0.00 H new ATOM 0 HA THR A 24 -5.603 2.692 6.953 1.00 0.00 H new ATOM 0 HB THR A 24 -5.737 4.310 8.820 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.857 4.723 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.264 5.932 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.273 5.076 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.977 4.620 6.791 1.00 0.00 H new ATOM 333 N GLU A 25 -6.155 0.341 8.613 1.00 0.00 N ATOM 334 CA GLU A 25 -5.739 -0.672 9.576 1.00 0.00 C ATOM 335 C GLU A 25 -4.912 -1.760 8.897 1.00 0.00 C ATOM 336 O GLU A 25 -5.457 -2.672 8.274 1.00 0.00 O ATOM 337 CB GLU A 25 -6.962 -1.294 10.254 1.00 0.00 C ATOM 338 CG GLU A 25 -7.868 -0.276 10.926 1.00 0.00 C ATOM 339 CD GLU A 25 -7.489 -0.022 12.372 1.00 0.00 C ATOM 340 OE1 GLU A 25 -7.085 -0.984 13.058 1.00 0.00 O ATOM 341 OE2 GLU A 25 -7.597 1.140 12.818 1.00 0.00 O ATOM 0 H GLU A 25 -6.661 -0.025 7.806 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.120 -0.188 10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.538 -1.846 9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.626 -2.016 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.826 0.663 10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.899 -0.627 10.881 1.00 0.00 H new ATOM 348 N SER A 26 -3.593 -1.658 9.023 1.00 0.00 N ATOM 349 CA SER A 26 -2.689 -2.630 8.419 1.00 0.00 C ATOM 350 C SER A 26 -3.180 -4.054 8.665 1.00 0.00 C ATOM 351 O SER A 26 -3.113 -4.907 7.779 1.00 0.00 O ATOM 352 CB SER A 26 -1.276 -2.462 8.981 1.00 0.00 C ATOM 353 OG SER A 26 -1.296 -2.379 10.395 1.00 0.00 O ATOM 0 H SER A 26 -3.126 -0.912 9.538 1.00 0.00 H new ATOM 0 HA SER A 26 -2.668 -2.451 7.344 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.656 -3.303 8.672 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.821 -1.562 8.567 1.00 0.00 H new ATOM 0 HG SER A 26 -0.381 -2.274 10.729 1.00 0.00 H new ATOM 359 N CYS A 27 -3.674 -4.302 9.873 1.00 0.00 N ATOM 360 CA CYS A 27 -4.176 -5.622 10.237 1.00 0.00 C ATOM 361 C CYS A 27 -5.300 -6.054 9.301 1.00 0.00 C ATOM 362 O CYS A 27 -5.409 -7.227 8.947 1.00 0.00 O ATOM 363 CB CYS A 27 -4.672 -5.621 11.684 1.00 0.00 C ATOM 364 SG CYS A 27 -4.640 -7.246 12.477 1.00 0.00 S ATOM 0 H CYS A 27 -3.738 -3.607 10.617 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.356 -6.334 10.142 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.060 -4.932 12.266 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.692 -5.238 11.707 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.075 -7.142 13.697 1.00 0.00 H new ATOM 370 N GLU A 28 -6.134 -5.097 8.907 1.00 0.00 N ATOM 371 CA GLU A 28 -7.252 -5.379 8.014 1.00 0.00 C ATOM 372 C GLU A 28 -6.754 -5.824 6.642 1.00 0.00 C ATOM 373 O GLU A 28 -7.096 -6.907 6.166 1.00 0.00 O ATOM 374 CB GLU A 28 -8.143 -4.143 7.869 1.00 0.00 C ATOM 375 CG GLU A 28 -9.271 -4.320 6.867 1.00 0.00 C ATOM 376 CD GLU A 28 -10.381 -5.211 7.390 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.068 -6.271 7.971 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.564 -4.847 7.218 1.00 0.00 O ATOM 0 H GLU A 28 -6.057 -4.121 9.192 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.836 -6.190 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.568 -3.896 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.528 -3.296 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.683 -3.343 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.871 -4.746 5.947 1.00 0.00 H new ATOM 385 N VAL A 29 -5.943 -4.981 6.011 1.00 0.00 N ATOM 386 CA VAL A 29 -5.397 -5.286 4.694 1.00 0.00 C ATOM 387 C VAL A 29 -4.966 -6.746 4.603 1.00 0.00 C ATOM 388 O VAL A 29 -5.322 -7.450 3.659 1.00 0.00 O ATOM 389 CB VAL A 29 -4.192 -4.385 4.363 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.594 -4.766 3.018 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.603 -2.921 4.379 1.00 0.00 C ATOM 0 H VAL A 29 -5.649 -4.081 6.391 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.191 -5.098 3.971 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.428 -4.532 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.744 -4.119 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.261 -5.804 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.347 -4.649 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.740 -2.298 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.384 -2.754 3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.980 -2.660 5.368 1.00 0.00 H new ATOM 401 N GLU A 30 -4.199 -7.194 5.592 1.00 0.00 N ATOM 402 CA GLU A 30 -3.719 -8.570 5.623 1.00 0.00 C ATOM 403 C GLU A 30 -4.883 -9.554 5.550 1.00 0.00 C ATOM 404 O GLU A 30 -4.818 -10.558 4.840 1.00 0.00 O ATOM 405 CB GLU A 30 -2.904 -8.822 6.893 1.00 0.00 C ATOM 406 CG GLU A 30 -2.669 -10.294 7.184 1.00 0.00 C ATOM 407 CD GLU A 30 -3.773 -10.906 8.024 1.00 0.00 C ATOM 408 OE1 GLU A 30 -4.783 -11.353 7.443 1.00 0.00 O ATOM 409 OE2 GLU A 30 -3.625 -10.939 9.264 1.00 0.00 O ATOM 0 H GLU A 30 -3.897 -6.624 6.382 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.080 -8.724 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.941 -8.320 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.419 -8.371 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.589 -10.838 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.717 -10.411 7.701 1.00 0.00 H new ATOM 416 N ARG A 31 -5.948 -9.257 6.288 1.00 0.00 N ATOM 417 CA ARG A 31 -7.126 -10.116 6.309 1.00 0.00 C ATOM 418 C ARG A 31 -7.828 -10.108 4.954 1.00 0.00 C ATOM 419 O ARG A 31 -8.186 -11.160 4.423 1.00 0.00 O ATOM 420 CB ARG A 31 -8.096 -9.660 7.401 1.00 0.00 C ATOM 421 CG ARG A 31 -9.383 -10.467 7.448 1.00 0.00 C ATOM 422 CD ARG A 31 -10.459 -9.851 6.568 1.00 0.00 C ATOM 423 NE ARG A 31 -11.638 -10.707 6.465 1.00 0.00 N ATOM 424 CZ ARG A 31 -12.824 -10.277 6.047 1.00 0.00 C ATOM 425 NH1 ARG A 31 -12.987 -9.009 5.695 1.00 0.00 N ATOM 426 NH2 ARG A 31 -13.849 -11.117 5.981 1.00 0.00 N ATOM 0 H ARG A 31 -6.019 -8.429 6.879 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.800 -11.134 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.599 -9.728 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.341 -8.610 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.185 -11.488 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.741 -10.524 8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.749 -8.882 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.054 -9.671 5.572 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.546 -11.688 6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.201 -8.361 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.898 -8.682 5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.727 -12.093 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.759 -10.787 5.660 1.00 0.00 H new ATOM 440 N LEU A 32 -8.023 -8.916 4.402 1.00 0.00 N ATOM 441 CA LEU A 32 -8.683 -8.771 3.109 1.00 0.00 C ATOM 442 C LEU A 32 -8.010 -9.642 2.053 1.00 0.00 C ATOM 443 O LEU A 32 -8.657 -10.474 1.416 1.00 0.00 O ATOM 444 CB LEU A 32 -8.663 -7.307 2.666 1.00 0.00 C ATOM 445 CG LEU A 32 -9.139 -6.286 3.700 1.00 0.00 C ATOM 446 CD1 LEU A 32 -8.962 -4.870 3.174 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.592 -6.541 4.073 1.00 0.00 C ATOM 0 H LEU A 32 -7.734 -8.036 4.829 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.717 -9.098 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.645 -7.051 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.284 -7.209 1.776 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.530 -6.397 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.306 -4.158 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.908 -4.691 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.544 -4.746 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.913 -5.805 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.216 -6.460 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.689 -7.542 4.494 1.00 0.00 H new ATOM 459 N PHE A 33 -6.708 -9.447 1.874 1.00 0.00 N ATOM 460 CA PHE A 33 -5.947 -10.216 0.896 1.00 0.00 C ATOM 461 C PHE A 33 -6.380 -11.679 0.899 1.00 0.00 C ATOM 462 O PHE A 33 -6.875 -12.195 -0.103 1.00 0.00 O ATOM 463 CB PHE A 33 -4.449 -10.115 1.191 1.00 0.00 C ATOM 464 CG PHE A 33 -3.829 -8.834 0.711 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.567 -7.662 0.677 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.507 -8.802 0.295 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.998 -6.482 0.235 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.934 -7.625 -0.147 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.680 -6.464 -0.176 1.00 0.00 C ATOM 0 H PHE A 33 -6.158 -8.763 2.393 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.145 -9.799 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.292 -10.205 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.937 -10.955 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.598 -7.670 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.918 -9.707 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.584 -5.575 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.903 -7.613 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.233 -5.543 -0.520 1.00 0.00 H new ATOM 479 N LYS A 34 -6.190 -12.344 2.034 1.00 0.00 N ATOM 480 CA LYS A 34 -6.560 -13.748 2.170 1.00 0.00 C ATOM 481 C LYS A 34 -8.047 -13.947 1.897 1.00 0.00 C ATOM 482 O LYS A 34 -8.446 -14.920 1.257 1.00 0.00 O ATOM 483 CB LYS A 34 -6.216 -14.254 3.573 1.00 0.00 C ATOM 484 CG LYS A 34 -4.748 -14.102 3.931 1.00 0.00 C ATOM 485 CD LYS A 34 -4.559 -13.848 5.417 1.00 0.00 C ATOM 486 CE LYS A 34 -3.086 -13.765 5.786 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.360 -15.023 5.457 1.00 0.00 N ATOM 0 H LYS A 34 -5.782 -11.933 2.873 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.994 -14.320 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.817 -13.712 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.493 -15.305 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.207 -15.004 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.318 -13.278 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.057 -12.919 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.033 -14.647 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.625 -12.931 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.990 -13.558 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.760 -15.298 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.047 -15.780 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.766 -14.871 4.617 1.00 0.00 H new ATOM 501 N ALA A 35 -8.863 -13.019 2.385 1.00 0.00 N ATOM 502 CA ALA A 35 -10.306 -13.091 2.191 1.00 0.00 C ATOM 503 C ALA A 35 -10.659 -13.125 0.708 1.00 0.00 C ATOM 504 O ALA A 35 -11.170 -14.125 0.202 1.00 0.00 O ATOM 505 CB ALA A 35 -10.990 -11.914 2.871 1.00 0.00 C ATOM 0 H ALA A 35 -8.549 -12.208 2.918 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.663 -14.016 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.067 -11.981 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.773 -11.935 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.620 -10.982 2.444 1.00 0.00 H new ATOM 511 N THR A 36 -10.384 -12.025 0.013 1.00 0.00 N ATOM 512 CA THR A 36 -10.674 -11.929 -1.412 1.00 0.00 C ATOM 513 C THR A 36 -10.270 -13.204 -2.143 1.00 0.00 C ATOM 514 O THR A 36 -10.796 -13.511 -3.213 1.00 0.00 O ATOM 515 CB THR A 36 -9.948 -10.731 -2.053 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.413 -10.536 -3.393 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.443 -10.952 -2.061 1.00 0.00 C ATOM 0 H THR A 36 -9.961 -11.188 0.414 1.00 0.00 H new ATOM 0 HA THR A 36 -11.750 -11.785 -1.506 1.00 0.00 H new ATOM 0 HB THR A 36 -10.166 -9.843 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.948 -9.772 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.952 -10.093 -2.518 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.087 -11.071 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.210 -11.850 -2.633 1.00 0.00 H new ATOM 525 N SER A 37 -9.333 -13.944 -1.559 1.00 0.00 N ATOM 526 CA SER A 37 -8.856 -15.185 -2.157 1.00 0.00 C ATOM 527 C SER A 37 -9.933 -16.265 -2.099 1.00 0.00 C ATOM 528 O SER A 37 -10.648 -16.411 -1.108 1.00 0.00 O ATOM 529 CB SER A 37 -7.594 -15.669 -1.441 1.00 0.00 C ATOM 530 OG SER A 37 -6.770 -16.423 -2.313 1.00 0.00 O ATOM 0 H SER A 37 -8.889 -13.705 -0.672 1.00 0.00 H new ATOM 0 HA SER A 37 -8.619 -14.988 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.038 -14.813 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.871 -16.278 -0.581 1.00 0.00 H new ATOM 0 HG SER A 37 -5.841 -16.124 -2.225 1.00 0.00 H new ATOM 536 N PRO A 38 -10.052 -17.039 -3.188 1.00 0.00 N ATOM 537 CA PRO A 38 -11.038 -18.120 -3.287 1.00 0.00 C ATOM 538 C PRO A 38 -10.708 -19.291 -2.368 1.00 0.00 C ATOM 539 O PRO A 38 -11.594 -20.045 -1.965 1.00 0.00 O ATOM 540 CB PRO A 38 -10.948 -18.548 -4.753 1.00 0.00 C ATOM 541 CG PRO A 38 -9.572 -18.166 -5.176 1.00 0.00 C ATOM 542 CD PRO A 38 -9.232 -16.921 -4.405 1.00 0.00 C ATOM 0 HA PRO A 38 -12.033 -17.794 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.113 -19.620 -4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.702 -18.046 -5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.862 -18.964 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.530 -17.983 -6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.169 -16.872 -4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.476 -16.020 -4.968 1.00 0.00 H new ATOM 550 N ARG A 39 -9.428 -19.439 -2.041 1.00 0.00 N ATOM 551 CA ARG A 39 -8.982 -20.520 -1.170 1.00 0.00 C ATOM 552 C ARG A 39 -8.519 -19.976 0.178 1.00 0.00 C ATOM 553 O ARG A 39 -7.994 -20.715 1.010 1.00 0.00 O ATOM 554 CB ARG A 39 -7.847 -21.302 -1.834 1.00 0.00 C ATOM 555 CG ARG A 39 -8.200 -21.835 -3.213 1.00 0.00 C ATOM 556 CD ARG A 39 -6.954 -22.199 -4.005 1.00 0.00 C ATOM 557 NE ARG A 39 -6.606 -23.610 -3.862 1.00 0.00 N ATOM 558 CZ ARG A 39 -5.897 -24.287 -4.759 1.00 0.00 C ATOM 559 NH1 ARG A 39 -5.463 -23.685 -5.857 1.00 0.00 N ATOM 560 NH2 ARG A 39 -5.622 -25.569 -4.557 1.00 0.00 N ATOM 0 H ARG A 39 -8.682 -18.824 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.826 -21.189 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.972 -20.657 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.568 -22.137 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.838 -22.713 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.773 -21.085 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.115 -21.971 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.119 -21.584 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.925 -24.103 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.673 -22.699 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.919 -24.207 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.955 -26.035 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.078 -26.089 -5.246 1.00 0.00 H new ATOM 574 N GLY A 40 -8.717 -18.678 0.386 1.00 0.00 N ATOM 575 CA GLY A 40 -8.313 -18.057 1.635 1.00 0.00 C ATOM 576 C GLY A 40 -6.811 -17.878 1.734 1.00 0.00 C ATOM 577 O GLY A 40 -6.277 -17.656 2.820 1.00 0.00 O ATOM 0 H GLY A 40 -9.150 -18.045 -0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.799 -17.086 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.659 -18.667 2.469 1.00 0.00 H new ATOM 581 N GLU A 41 -6.128 -17.977 0.598 1.00 0.00 N ATOM 582 CA GLU A 41 -4.678 -17.827 0.563 1.00 0.00 C ATOM 583 C GLU A 41 -4.253 -16.909 -0.579 1.00 0.00 C ATOM 584 O GLU A 41 -4.492 -17.187 -1.754 1.00 0.00 O ATOM 585 CB GLU A 41 -4.006 -19.193 0.411 1.00 0.00 C ATOM 586 CG GLU A 41 -4.368 -19.909 -0.879 1.00 0.00 C ATOM 587 CD GLU A 41 -3.728 -21.280 -0.985 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.551 -21.417 -0.592 1.00 0.00 O ATOM 589 OE2 GLU A 41 -4.405 -22.216 -1.460 1.00 0.00 O ATOM 0 H GLU A 41 -6.555 -18.160 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.362 -17.377 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.925 -19.063 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.285 -19.822 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.451 -20.012 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.057 -19.300 -1.728 1.00 0.00 H new ATOM 596 N PRO A 42 -3.609 -15.786 -0.226 1.00 0.00 N ATOM 597 CA PRO A 42 -3.137 -14.803 -1.206 1.00 0.00 C ATOM 598 C PRO A 42 -1.971 -15.328 -2.038 1.00 0.00 C ATOM 599 O PRO A 42 -1.256 -16.236 -1.616 1.00 0.00 O ATOM 600 CB PRO A 42 -2.687 -13.626 -0.338 1.00 0.00 C ATOM 601 CG PRO A 42 -2.348 -14.233 0.979 1.00 0.00 C ATOM 602 CD PRO A 42 -3.291 -15.391 1.156 1.00 0.00 C ATOM 0 HA PRO A 42 -3.910 -14.546 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.826 -13.120 -0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.478 -12.882 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.311 -14.568 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.465 -13.508 1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.826 -16.207 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.186 -15.100 1.707 1.00 0.00 H new ATOM 610 N GLN A 43 -1.787 -14.750 -3.220 1.00 0.00 N ATOM 611 CA GLN A 43 -0.708 -15.160 -4.111 1.00 0.00 C ATOM 612 C GLN A 43 0.497 -14.237 -3.967 1.00 0.00 C ATOM 613 O GLN A 43 0.352 -13.016 -3.905 1.00 0.00 O ATOM 614 CB GLN A 43 -1.191 -15.166 -5.562 1.00 0.00 C ATOM 615 CG GLN A 43 -1.932 -16.435 -5.952 1.00 0.00 C ATOM 616 CD GLN A 43 -2.729 -16.276 -7.232 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.398 -16.867 -8.260 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.787 -15.476 -7.175 1.00 0.00 N ATOM 0 H GLN A 43 -2.371 -13.997 -3.583 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.404 -16.169 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.846 -14.309 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.333 -15.039 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.215 -17.247 -6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.604 -16.722 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.025 -15.006 -6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.362 -15.331 -8.005 1.00 0.00 H new ATOM 627 N ASP A 44 1.686 -14.828 -3.915 1.00 0.00 N ATOM 628 CA ASP A 44 2.917 -14.058 -3.780 1.00 0.00 C ATOM 629 C ASP A 44 2.929 -12.878 -4.746 1.00 0.00 C ATOM 630 O ASP A 44 2.656 -13.033 -5.935 1.00 0.00 O ATOM 631 CB ASP A 44 4.132 -14.951 -4.031 1.00 0.00 C ATOM 632 CG ASP A 44 5.441 -14.193 -3.924 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.528 -13.276 -3.081 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.377 -14.516 -4.684 1.00 0.00 O ATOM 0 H ASP A 44 1.823 -15.838 -3.964 1.00 0.00 H new ATOM 0 HA ASP A 44 2.964 -13.671 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.131 -15.771 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.053 -15.396 -5.023 1.00 0.00 H new ATOM 639 N GLY A 45 3.247 -11.696 -4.225 1.00 0.00 N ATOM 640 CA GLY A 45 3.288 -10.506 -5.055 1.00 0.00 C ATOM 641 C GLY A 45 2.064 -9.631 -4.873 1.00 0.00 C ATOM 642 O GLY A 45 1.995 -8.527 -5.415 1.00 0.00 O ATOM 0 H GLY A 45 3.477 -11.542 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.182 -9.930 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.369 -10.799 -6.102 1.00 0.00 H new ATOM 646 N LEU A 46 1.094 -10.123 -4.111 1.00 0.00 N ATOM 647 CA LEU A 46 -0.135 -9.378 -3.860 1.00 0.00 C ATOM 648 C LEU A 46 0.169 -8.019 -3.237 1.00 0.00 C ATOM 649 O LEU A 46 0.564 -7.932 -2.074 1.00 0.00 O ATOM 650 CB LEU A 46 -1.060 -10.177 -2.940 1.00 0.00 C ATOM 651 CG LEU A 46 -2.556 -9.891 -3.080 1.00 0.00 C ATOM 652 CD1 LEU A 46 -2.999 -10.060 -4.525 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.361 -10.801 -2.163 1.00 0.00 C ATOM 0 H LEU A 46 1.134 -11.035 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.634 -9.216 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.895 -11.238 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.768 -9.984 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.738 -8.858 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.066 -9.852 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.446 -9.367 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.803 -11.082 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.423 -10.584 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.174 -11.842 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.064 -10.630 -1.128 1.00 0.00 H new ATOM 665 N TYR A 47 -0.018 -6.961 -4.018 1.00 0.00 N ATOM 666 CA TYR A 47 0.236 -5.606 -3.544 1.00 0.00 C ATOM 667 C TYR A 47 -1.032 -4.761 -3.603 1.00 0.00 C ATOM 668 O TYR A 47 -1.983 -5.096 -4.311 1.00 0.00 O ATOM 669 CB TYR A 47 1.339 -4.950 -4.377 1.00 0.00 C ATOM 670 CG TYR A 47 0.948 -4.712 -5.818 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.085 -5.714 -6.771 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.440 -3.485 -6.227 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.730 -5.501 -8.088 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.081 -3.263 -7.542 1.00 0.00 C ATOM 675 CZ TYR A 47 0.228 -4.274 -8.469 1.00 0.00 C ATOM 676 OH TYR A 47 -0.128 -4.058 -9.781 1.00 0.00 O ATOM 0 H TYR A 47 -0.345 -7.016 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 47 0.562 -5.667 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.610 -3.998 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.227 -5.581 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.476 -6.677 -6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.324 -2.691 -5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.845 -6.291 -8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.313 -2.303 -7.843 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.464 -3.143 -9.882 1.00 0.00 H new ATOM 686 N CYS A 48 -1.039 -3.664 -2.854 1.00 0.00 N ATOM 687 CA CYS A 48 -2.191 -2.769 -2.820 1.00 0.00 C ATOM 688 C CYS A 48 -1.797 -1.396 -2.286 1.00 0.00 C ATOM 689 O CYS A 48 -0.621 -1.131 -2.034 1.00 0.00 O ATOM 690 CB CYS A 48 -3.302 -3.367 -1.956 1.00 0.00 C ATOM 691 SG CYS A 48 -3.187 -2.934 -0.204 1.00 0.00 S ATOM 0 H CYS A 48 -0.261 -3.373 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.558 -2.650 -3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.266 -3.033 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.279 -4.452 -2.053 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.113 -4.020 0.507 1.00 0.00 H new ATOM 697 N ILE A 49 -2.787 -0.526 -2.116 1.00 0.00 N ATOM 698 CA ILE A 49 -2.543 0.819 -1.612 1.00 0.00 C ATOM 699 C ILE A 49 -3.630 1.244 -0.631 1.00 0.00 C ATOM 700 O ILE A 49 -4.749 1.566 -1.030 1.00 0.00 O ATOM 701 CB ILE A 49 -2.472 1.846 -2.759 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.381 1.453 -3.757 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.216 3.240 -2.206 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.476 2.187 -5.076 1.00 0.00 C ATOM 0 H ILE A 49 -3.766 -0.729 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.582 0.794 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.429 1.854 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.405 1.648 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.439 0.380 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.168 3.954 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.025 3.518 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.271 3.248 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.672 1.858 -5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.437 1.973 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.388 3.260 -4.903 1.00 0.00 H new ATOM 716 N ARG A 50 -3.292 1.245 0.654 1.00 0.00 N ATOM 717 CA ARG A 50 -4.239 1.631 1.693 1.00 0.00 C ATOM 718 C ARG A 50 -3.777 2.898 2.407 1.00 0.00 C ATOM 719 O ARG A 50 -2.627 3.314 2.272 1.00 0.00 O ATOM 720 CB ARG A 50 -4.410 0.497 2.705 1.00 0.00 C ATOM 721 CG ARG A 50 -3.116 0.094 3.393 1.00 0.00 C ATOM 722 CD ARG A 50 -2.912 0.863 4.689 1.00 0.00 C ATOM 723 NE ARG A 50 -1.770 0.361 5.449 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.445 0.797 6.661 1.00 0.00 C ATOM 725 NH1 ARG A 50 -2.171 1.738 7.247 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.392 0.290 7.289 1.00 0.00 N ATOM 0 H ARG A 50 -2.369 0.983 1.001 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.199 1.832 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.134 0.802 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.827 -0.372 2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.131 -0.976 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.275 0.276 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.762 1.919 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.813 0.792 5.299 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.190 -0.364 5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.982 2.129 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.919 2.071 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.169 -0.435 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.143 0.625 8.220 1.00 0.00 H new ATOM 740 N ASN A 51 -4.682 3.508 3.166 1.00 0.00 N ATOM 741 CA ASN A 51 -4.367 4.728 3.900 1.00 0.00 C ATOM 742 C ASN A 51 -3.632 4.407 5.199 1.00 0.00 C ATOM 743 O ASN A 51 -3.835 3.349 5.793 1.00 0.00 O ATOM 744 CB ASN A 51 -5.646 5.509 4.204 1.00 0.00 C ATOM 745 CG ASN A 51 -6.167 6.260 2.994 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.541 5.522 1.956 1.00 0.00 O flip ATOM 747 ND2 ASN A 51 -6.231 7.490 2.993 1.00 0.00 N flip ATOM 0 H ASN A 51 -5.639 3.177 3.289 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.715 5.340 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.413 4.821 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.454 6.215 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.932 8.017 3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.583 7.982 2.171 1.00 0.00 H new ATOM 830 N LYS A 58 -0.811 7.838 1.853 1.00 0.00 N ATOM 831 CA LYS A 58 -0.939 6.463 1.385 1.00 0.00 C ATOM 832 C LYS A 58 0.292 5.644 1.759 1.00 0.00 C ATOM 833 O LYS A 58 1.338 6.197 2.100 1.00 0.00 O ATOM 834 CB LYS A 58 -1.142 6.436 -0.131 1.00 0.00 C ATOM 835 CG LYS A 58 -2.552 6.800 -0.563 1.00 0.00 C ATOM 836 CD LYS A 58 -3.555 5.737 -0.146 1.00 0.00 C ATOM 837 CE LYS A 58 -4.726 5.666 -1.114 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.632 4.525 -0.806 1.00 0.00 N ATOM 0 HA LYS A 58 -1.809 6.020 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.439 7.127 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.903 5.440 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.832 7.758 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.581 6.924 -1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.060 4.767 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.923 5.956 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.289 6.598 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.350 5.566 -2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.408 4.501 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.097 3.634 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.025 4.642 0.150 1.00 0.00 H new ATOM 852 N VAL A 59 0.162 4.323 1.691 1.00 0.00 N ATOM 853 CA VAL A 59 1.265 3.428 2.019 1.00 0.00 C ATOM 854 C VAL A 59 1.164 2.122 1.240 1.00 0.00 C ATOM 855 O VAL A 59 0.273 1.307 1.484 1.00 0.00 O ATOM 856 CB VAL A 59 1.302 3.112 3.526 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.392 2.097 3.833 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.506 4.386 4.332 1.00 0.00 C ATOM 0 H VAL A 59 -0.697 3.849 1.412 1.00 0.00 H new ATOM 0 HA VAL A 59 2.184 3.944 1.740 1.00 0.00 H new ATOM 0 HB VAL A 59 0.344 2.677 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.403 1.887 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.197 1.176 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.359 2.500 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.530 4.144 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.449 4.851 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.686 5.076 4.135 1.00 0.00 H new ATOM 868 N LEU A 60 2.082 1.928 0.300 1.00 0.00 N ATOM 869 CA LEU A 60 2.098 0.719 -0.517 1.00 0.00 C ATOM 870 C LEU A 60 2.335 -0.517 0.345 1.00 0.00 C ATOM 871 O LEU A 60 3.405 -0.683 0.930 1.00 0.00 O ATOM 872 CB LEU A 60 3.181 0.820 -1.592 1.00 0.00 C ATOM 873 CG LEU A 60 3.638 -0.501 -2.211 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.546 -1.083 -3.095 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.920 -0.303 -3.006 1.00 0.00 C ATOM 0 H LEU A 60 2.825 2.592 0.084 1.00 0.00 H new ATOM 0 HA LEU A 60 1.125 0.623 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.813 1.464 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.050 1.315 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 60 3.839 -1.206 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.890 -2.023 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.652 -1.263 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.312 -0.380 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.230 -1.254 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.746 0.419 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.704 0.068 -2.346 1.00 0.00 H new ATOM 887 N VAL A 61 1.329 -1.384 0.416 1.00 0.00 N ATOM 888 CA VAL A 61 1.429 -2.608 1.203 1.00 0.00 C ATOM 889 C VAL A 61 1.494 -3.836 0.303 1.00 0.00 C ATOM 890 O VAL A 61 0.551 -4.132 -0.431 1.00 0.00 O ATOM 891 CB VAL A 61 0.237 -2.753 2.167 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.238 -4.130 2.814 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.269 -1.659 3.224 1.00 0.00 C ATOM 0 H VAL A 61 0.436 -1.261 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 61 2.349 -2.538 1.783 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.685 -2.647 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.611 -4.214 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.163 -4.895 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.163 -4.269 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.581 -1.778 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.195 -1.731 3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.215 -0.684 2.740 1.00 0.00 H new ATOM 903 N VAL A 62 2.614 -4.550 0.364 1.00 0.00 N ATOM 904 CA VAL A 62 2.802 -5.748 -0.444 1.00 0.00 C ATOM 905 C VAL A 62 2.688 -7.008 0.407 1.00 0.00 C ATOM 906 O VAL A 62 2.929 -6.978 1.614 1.00 0.00 O ATOM 907 CB VAL A 62 4.171 -5.740 -1.149 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.167 -6.695 -2.334 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.534 -4.331 -1.591 1.00 0.00 C ATOM 0 H VAL A 62 3.405 -4.319 0.965 1.00 0.00 H new ATOM 0 HA VAL A 62 2.014 -5.749 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 62 4.927 -6.080 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.143 -6.676 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.955 -7.706 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.401 -6.388 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.504 -4.344 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.778 -3.960 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.581 -3.677 -0.720 1.00 0.00 H new ATOM 919 N TRP A 63 2.321 -8.114 -0.230 1.00 0.00 N ATOM 920 CA TRP A 63 2.176 -9.386 0.468 1.00 0.00 C ATOM 921 C TRP A 63 3.437 -10.232 0.327 1.00 0.00 C ATOM 922 O TRP A 63 3.956 -10.409 -0.775 1.00 0.00 O ATOM 923 CB TRP A 63 0.969 -10.154 -0.073 1.00 0.00 C ATOM 924 CG TRP A 63 0.859 -11.547 0.469 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.094 -12.710 -0.208 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.486 -11.923 1.799 1.00 0.00 C ATOM 927 NE1 TRP A 63 0.889 -13.786 0.622 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.516 -13.330 1.858 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.131 -11.207 2.946 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.203 -14.032 3.019 1.00 0.00 C ATOM 931 CZ3 TRP A 63 -0.179 -11.906 4.097 1.00 0.00 C ATOM 932 CH2 TRP A 63 -0.141 -13.306 4.127 1.00 0.00 C ATOM 0 H TRP A 63 2.118 -8.156 -1.229 1.00 0.00 H new ATOM 0 HA TRP A 63 2.019 -9.175 1.526 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.059 -9.605 0.170 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.034 -10.199 -1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.396 -12.774 -1.243 1.00 0.00 H new ATOM 0 HE1 TRP A 63 0.997 -14.766 0.360 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.100 -10.128 2.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.231 -15.111 3.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.455 -11.363 4.989 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -0.388 -13.823 5.043 1.00 0.00 H new ATOM 943 N ASP A 64 3.924 -10.751 1.448 1.00 0.00 N ATOM 944 CA ASP A 64 5.124 -11.580 1.449 1.00 0.00 C ATOM 945 C ASP A 64 4.766 -13.054 1.608 1.00 0.00 C ATOM 946 O ASP A 64 4.442 -13.509 2.704 1.00 0.00 O ATOM 947 CB ASP A 64 6.068 -11.147 2.572 1.00 0.00 C ATOM 948 CG ASP A 64 7.453 -11.747 2.428 1.00 0.00 C ATOM 949 OD1 ASP A 64 7.664 -12.530 1.478 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.325 -11.432 3.263 1.00 0.00 O ATOM 0 H ASP A 64 3.506 -10.613 2.368 1.00 0.00 H new ATOM 0 HA ASP A 64 5.627 -11.449 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.145 -10.060 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.645 -11.443 3.532 1.00 0.00 H new ATOM 955 N GLU A 65 4.826 -13.795 0.505 1.00 0.00 N ATOM 956 CA GLU A 65 4.506 -15.217 0.523 1.00 0.00 C ATOM 957 C GLU A 65 5.619 -16.017 1.196 1.00 0.00 C ATOM 958 O GLU A 65 5.366 -17.038 1.836 1.00 0.00 O ATOM 959 CB GLU A 65 4.285 -15.731 -0.901 1.00 0.00 C ATOM 960 CG GLU A 65 4.279 -17.247 -1.008 1.00 0.00 C ATOM 961 CD GLU A 65 5.672 -17.842 -0.936 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.601 -17.250 -1.523 1.00 0.00 O ATOM 963 OE2 GLU A 65 5.832 -18.900 -0.293 1.00 0.00 O ATOM 0 H GLU A 65 5.093 -13.434 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 65 3.588 -15.349 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.336 -15.345 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.067 -15.333 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.669 -17.662 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.811 -17.539 -1.948 1.00 0.00 H new ATOM 970 N THR A 66 6.852 -15.544 1.047 1.00 0.00 N ATOM 971 CA THR A 66 8.004 -16.214 1.638 1.00 0.00 C ATOM 972 C THR A 66 7.931 -16.192 3.161 1.00 0.00 C ATOM 973 O THR A 66 8.371 -17.130 3.826 1.00 0.00 O ATOM 974 CB THR A 66 9.325 -15.562 1.189 1.00 0.00 C ATOM 975 OG1 THR A 66 9.471 -14.277 1.804 1.00 0.00 O ATOM 976 CG2 THR A 66 9.367 -15.413 -0.324 1.00 0.00 C ATOM 0 H THR A 66 7.079 -14.699 0.522 1.00 0.00 H new ATOM 0 HA THR A 66 7.981 -17.247 1.291 1.00 0.00 H new ATOM 0 HB THR A 66 10.147 -16.208 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.704 -13.714 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.309 -14.950 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.285 -16.395 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.537 -14.786 -0.651 1.00 0.00 H new ATOM 984 N SER A 67 7.374 -15.116 3.706 1.00 0.00 N ATOM 985 CA SER A 67 7.247 -14.971 5.152 1.00 0.00 C ATOM 986 C SER A 67 5.781 -14.856 5.559 1.00 0.00 C ATOM 987 O SER A 67 5.466 -14.642 6.729 1.00 0.00 O ATOM 988 CB SER A 67 8.019 -13.740 5.632 1.00 0.00 C ATOM 989 OG SER A 67 9.408 -14.010 5.714 1.00 0.00 O ATOM 0 H SER A 67 7.003 -14.332 3.169 1.00 0.00 H new ATOM 0 HA SER A 67 7.668 -15.861 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.846 -12.909 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.647 -13.431 6.609 1.00 0.00 H new ATOM 0 HG SER A 67 9.880 -13.208 6.021 1.00 0.00 H new ATOM 995 N ASN A 68 4.889 -14.999 4.584 1.00 0.00 N ATOM 996 CA ASN A 68 3.456 -14.911 4.840 1.00 0.00 C ATOM 997 C ASN A 68 3.130 -13.688 5.692 1.00 0.00 C ATOM 998 O ASN A 68 2.380 -13.777 6.664 1.00 0.00 O ATOM 999 CB ASN A 68 2.963 -16.180 5.539 1.00 0.00 C ATOM 1000 CG ASN A 68 1.458 -16.345 5.444 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.716 -15.885 6.311 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.001 -17.005 4.386 1.00 0.00 N ATOM 0 H ASN A 68 5.133 -15.176 3.610 1.00 0.00 H new ATOM 0 HA ASN A 68 2.946 -14.811 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.450 -17.048 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.257 -16.151 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.002 -17.148 4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.653 -17.369 3.691 1.00 0.00 H new ATOM 1009 N LYS A 69 3.698 -12.546 5.320 1.00 0.00 N ATOM 1010 CA LYS A 69 3.467 -11.304 6.047 1.00 0.00 C ATOM 1011 C LYS A 69 3.391 -10.119 5.089 1.00 0.00 C ATOM 1012 O LYS A 69 3.957 -10.154 3.997 1.00 0.00 O ATOM 1013 CB LYS A 69 4.580 -11.075 7.072 1.00 0.00 C ATOM 1014 CG LYS A 69 5.966 -10.996 6.457 1.00 0.00 C ATOM 1015 CD LYS A 69 7.005 -10.561 7.477 1.00 0.00 C ATOM 1016 CE LYS A 69 7.094 -9.046 7.570 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.361 -8.604 8.218 1.00 0.00 N ATOM 0 H LYS A 69 4.322 -12.455 4.518 1.00 0.00 H new ATOM 0 HA LYS A 69 2.513 -11.389 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.379 -10.151 7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.561 -11.884 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.240 -11.969 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.956 -10.293 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.752 -10.972 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.978 -10.968 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.028 -8.616 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.244 -8.666 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.384 -7.565 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.413 -8.993 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.172 -8.945 7.663 1.00 0.00 H new ATOM 1031 N VAL A 70 2.689 -9.070 5.507 1.00 0.00 N ATOM 1032 CA VAL A 70 2.542 -7.873 4.688 1.00 0.00 C ATOM 1033 C VAL A 70 3.612 -6.841 5.025 1.00 0.00 C ATOM 1034 O VAL A 70 3.992 -6.682 6.185 1.00 0.00 O ATOM 1035 CB VAL A 70 1.152 -7.235 4.871 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.056 -8.237 4.542 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.993 -6.705 6.288 1.00 0.00 C ATOM 0 H VAL A 70 2.213 -9.025 6.408 1.00 0.00 H new ATOM 0 HA VAL A 70 2.657 -8.184 3.650 1.00 0.00 H new ATOM 0 HB VAL A 70 1.063 -6.396 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.919 -7.768 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.161 -8.564 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.139 -9.098 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.005 -6.257 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.103 -7.525 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.757 -5.952 6.483 1.00 0.00 H new ATOM 1047 N ARG A 71 4.094 -6.141 4.003 1.00 0.00 N ATOM 1048 CA ARG A 71 5.121 -5.124 4.191 1.00 0.00 C ATOM 1049 C ARG A 71 4.524 -3.723 4.092 1.00 0.00 C ATOM 1050 O ARG A 71 3.392 -3.551 3.643 1.00 0.00 O ATOM 1051 CB ARG A 71 6.231 -5.291 3.152 1.00 0.00 C ATOM 1052 CG ARG A 71 6.962 -6.621 3.250 1.00 0.00 C ATOM 1053 CD ARG A 71 7.973 -6.618 4.385 1.00 0.00 C ATOM 1054 NE ARG A 71 8.852 -7.783 4.338 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.985 -7.878 5.025 1.00 0.00 C ATOM 1056 NH1 ARG A 71 10.374 -6.882 5.809 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.732 -8.971 4.929 1.00 0.00 N ATOM 0 H ARG A 71 3.790 -6.260 3.037 1.00 0.00 H new ATOM 0 HA ARG A 71 5.544 -5.251 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.801 -5.195 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.951 -4.481 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.241 -7.423 3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.471 -6.828 2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.573 -5.709 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.447 -6.599 5.339 1.00 0.00 H new ATOM 0 HE ARG A 71 8.581 -8.567 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.803 -6.040 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.244 -6.957 6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.436 -9.740 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.602 -9.042 5.457 1.00 0.00 H new ATOM 1071 N ASN A 72 5.294 -2.726 4.515 1.00 0.00 N ATOM 1072 CA ASN A 72 4.841 -1.340 4.476 1.00 0.00 C ATOM 1073 C ASN A 72 5.831 -0.466 3.712 1.00 0.00 C ATOM 1074 O ASN A 72 7.031 -0.483 3.987 1.00 0.00 O ATOM 1075 CB ASN A 72 4.656 -0.801 5.895 1.00 0.00 C ATOM 1076 CG ASN A 72 3.720 -1.660 6.723 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.532 -1.362 6.846 1.00 0.00 O ATOM 1078 ND2 ASN A 72 4.252 -2.734 7.295 1.00 0.00 N ATOM 0 H ASN A 72 6.235 -2.852 4.889 1.00 0.00 H new ATOM 0 HA ASN A 72 3.883 -1.312 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.626 -0.746 6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.265 0.215 5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.671 -3.350 7.863 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.242 -2.943 7.166 1.00 0.00 H new ATOM 1085 N TYR A 73 5.320 0.297 2.753 1.00 0.00 N ATOM 1086 CA TYR A 73 6.158 1.178 1.948 1.00 0.00 C ATOM 1087 C TYR A 73 5.576 2.587 1.896 1.00 0.00 C ATOM 1088 O TYR A 73 4.746 2.896 1.041 1.00 0.00 O ATOM 1089 CB TYR A 73 6.305 0.621 0.530 1.00 0.00 C ATOM 1090 CG TYR A 73 7.098 -0.664 0.463 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.486 -0.645 0.418 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.459 -1.898 0.446 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.215 -1.817 0.356 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.179 -3.075 0.385 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.557 -3.029 0.340 1.00 0.00 C ATOM 1096 OH TYR A 73 9.279 -4.199 0.279 1.00 0.00 O ATOM 0 H TYR A 73 4.329 0.323 2.514 1.00 0.00 H new ATOM 0 HA TYR A 73 7.142 1.229 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.313 0.448 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.789 1.370 -0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.004 0.302 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.380 -1.937 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.294 -1.784 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.666 -4.026 0.373 1.00 0.00 H new ATOM 0 HH TYR A 73 10.218 -4.015 0.492 1.00 0.00 H new ATOM 1106 N ARG A 74 6.020 3.437 2.816 1.00 0.00 N ATOM 1107 CA ARG A 74 5.544 4.814 2.877 1.00 0.00 C ATOM 1108 C ARG A 74 5.656 5.489 1.513 1.00 0.00 C ATOM 1109 O ARG A 74 6.733 5.528 0.916 1.00 0.00 O ATOM 1110 CB ARG A 74 6.339 5.606 3.916 1.00 0.00 C ATOM 1111 CG ARG A 74 5.738 5.554 5.312 1.00 0.00 C ATOM 1112 CD ARG A 74 6.034 6.824 6.094 1.00 0.00 C ATOM 1113 NE ARG A 74 6.126 6.573 7.529 1.00 0.00 N ATOM 1114 CZ ARG A 74 7.235 6.162 8.134 1.00 0.00 C ATOM 1115 NH1 ARG A 74 8.340 5.955 7.431 1.00 0.00 N ATOM 1116 NH2 ARG A 74 7.240 5.956 9.445 1.00 0.00 N ATOM 0 H ARG A 74 6.708 3.197 3.529 1.00 0.00 H new ATOM 0 HA ARG A 74 4.494 4.796 3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.358 5.220 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.404 6.646 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.660 5.413 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.137 4.693 5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.970 7.257 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.251 7.558 5.904 1.00 0.00 H new ATOM 0 HE ARG A 74 5.293 6.721 8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.340 6.111 6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.190 5.639 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.392 6.113 9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.092 5.640 9.908 1.00 0.00 H new ATOM 1130 N ILE A 75 4.538 6.017 1.026 1.00 0.00 N ATOM 1131 CA ILE A 75 4.512 6.690 -0.267 1.00 0.00 C ATOM 1132 C ILE A 75 4.517 8.205 -0.098 1.00 0.00 C ATOM 1133 O ILE A 75 3.465 8.828 0.050 1.00 0.00 O ATOM 1134 CB ILE A 75 3.276 6.280 -1.090 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.246 4.763 -1.284 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.276 6.992 -2.435 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.894 4.236 -1.714 1.00 0.00 C ATOM 0 H ILE A 75 3.639 5.992 1.507 1.00 0.00 H new ATOM 0 HA ILE A 75 5.412 6.384 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 75 2.380 6.575 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.990 4.485 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.536 4.280 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.397 6.692 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.255 8.070 -2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.176 6.724 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.946 3.154 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.150 4.483 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.611 4.692 -2.663 1.00 0.00 H new ATOM 1149 N PHE A 76 5.709 8.794 -0.123 1.00 0.00 N ATOM 1150 CA PHE A 76 5.851 10.237 0.027 1.00 0.00 C ATOM 1151 C PHE A 76 5.409 10.962 -1.241 1.00 0.00 C ATOM 1152 O PHE A 76 5.138 10.334 -2.264 1.00 0.00 O ATOM 1153 CB PHE A 76 7.302 10.596 0.353 1.00 0.00 C ATOM 1154 CG PHE A 76 7.844 9.872 1.552 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.498 10.270 2.833 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.701 8.794 1.398 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.994 9.605 3.939 1.00 0.00 C ATOM 1158 CE2 PHE A 76 9.200 8.125 2.500 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.847 8.532 3.772 1.00 0.00 C ATOM 0 H PHE A 76 6.589 8.294 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 76 5.211 10.557 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.927 10.370 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.372 11.670 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.833 11.110 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.982 8.473 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.715 9.924 4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.865 7.285 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.237 8.012 4.634 1.00 0.00 H new ATOM 1169 N GLU A 77 5.338 12.287 -1.164 1.00 0.00 N ATOM 1170 CA GLU A 77 4.927 13.097 -2.305 1.00 0.00 C ATOM 1171 C GLU A 77 5.873 14.278 -2.503 1.00 0.00 C ATOM 1172 O GLU A 77 5.762 15.299 -1.824 1.00 0.00 O ATOM 1173 CB GLU A 77 3.496 13.603 -2.110 1.00 0.00 C ATOM 1174 CG GLU A 77 2.916 14.276 -3.343 1.00 0.00 C ATOM 1175 CD GLU A 77 1.710 15.138 -3.024 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.758 15.877 -2.019 1.00 0.00 O ATOM 1177 OE2 GLU A 77 0.718 15.073 -3.781 1.00 0.00 O ATOM 0 H GLU A 77 5.560 12.822 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 77 4.965 12.470 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.858 12.765 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.479 14.308 -1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.684 14.891 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.632 13.514 -4.068 1.00 0.00 H new ATOM 1184 N LYS A 78 6.806 14.131 -3.438 1.00 0.00 N ATOM 1185 CA LYS A 78 7.773 15.183 -3.728 1.00 0.00 C ATOM 1186 C LYS A 78 7.816 15.486 -5.222 1.00 0.00 C ATOM 1187 O LYS A 78 7.690 14.585 -6.051 1.00 0.00 O ATOM 1188 CB LYS A 78 9.164 14.775 -3.239 1.00 0.00 C ATOM 1189 CG LYS A 78 10.292 15.545 -3.903 1.00 0.00 C ATOM 1190 CD LYS A 78 11.651 14.978 -3.527 1.00 0.00 C ATOM 1191 CE LYS A 78 12.099 15.464 -2.158 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.276 14.702 -1.656 1.00 0.00 N ATOM 0 H LYS A 78 6.913 13.292 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 78 7.460 16.085 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.219 14.924 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.306 13.710 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.169 15.511 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.240 16.593 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.605 13.889 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.387 15.269 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.349 16.524 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.275 15.367 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.550 15.064 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.030 13.694 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.071 14.815 -2.317 1.00 0.00 H new ATOM 1206 N ASP A 79 7.995 16.758 -5.558 1.00 0.00 N ATOM 1207 CA ASP A 79 8.058 17.179 -6.953 1.00 0.00 C ATOM 1208 C ASP A 79 6.894 16.597 -7.749 1.00 0.00 C ATOM 1209 O ASP A 79 7.032 16.286 -8.932 1.00 0.00 O ATOM 1210 CB ASP A 79 9.386 16.750 -7.578 1.00 0.00 C ATOM 1211 CG ASP A 79 9.732 17.557 -8.814 1.00 0.00 C ATOM 1212 OD1 ASP A 79 9.296 17.168 -9.918 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.438 18.578 -8.677 1.00 0.00 O ATOM 0 H ASP A 79 8.099 17.516 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 79 7.987 18.266 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.183 16.859 -6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.336 15.693 -7.840 1.00 0.00 H new ATOM 1218 N SER A 80 5.749 16.450 -7.091 1.00 0.00 N ATOM 1219 CA SER A 80 4.562 15.900 -7.736 1.00 0.00 C ATOM 1220 C SER A 80 4.814 14.472 -8.211 1.00 0.00 C ATOM 1221 O SER A 80 4.292 14.046 -9.241 1.00 0.00 O ATOM 1222 CB SER A 80 4.146 16.777 -8.919 1.00 0.00 C ATOM 1223 OG SER A 80 3.571 17.993 -8.474 1.00 0.00 O ATOM 0 H SER A 80 5.618 16.704 -6.112 1.00 0.00 H new ATOM 0 HA SER A 80 3.755 15.884 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.015 16.988 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.431 16.239 -9.541 1.00 0.00 H new ATOM 0 HG SER A 80 3.315 18.536 -9.248 1.00 0.00 H new ATOM 1229 N LYS A 81 5.619 13.736 -7.451 1.00 0.00 N ATOM 1230 CA LYS A 81 5.941 12.356 -7.791 1.00 0.00 C ATOM 1231 C LYS A 81 6.049 11.497 -6.535 1.00 0.00 C ATOM 1232 O LYS A 81 6.643 11.909 -5.539 1.00 0.00 O ATOM 1233 CB LYS A 81 7.254 12.295 -8.577 1.00 0.00 C ATOM 1234 CG LYS A 81 7.308 13.264 -9.745 1.00 0.00 C ATOM 1235 CD LYS A 81 8.186 12.735 -10.867 1.00 0.00 C ATOM 1236 CE LYS A 81 8.480 13.813 -11.899 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.585 13.416 -12.816 1.00 0.00 N ATOM 0 H LYS A 81 6.060 14.073 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 81 5.135 11.964 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.083 12.507 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.398 11.281 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.300 13.438 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.691 14.226 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.122 12.361 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.692 11.892 -11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.580 14.014 -12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.745 14.740 -11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.755 14.177 -13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.451 13.248 -12.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.322 12.545 -13.320 1.00 0.00 H new ATOM 1251 N PHE A 82 5.471 10.302 -6.590 1.00 0.00 N ATOM 1252 CA PHE A 82 5.502 9.385 -5.456 1.00 0.00 C ATOM 1253 C PHE A 82 6.867 8.713 -5.337 1.00 0.00 C ATOM 1254 O PHE A 82 7.439 8.265 -6.331 1.00 0.00 O ATOM 1255 CB PHE A 82 4.410 8.323 -5.602 1.00 0.00 C ATOM 1256 CG PHE A 82 3.083 8.883 -6.028 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.337 9.667 -5.163 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.582 8.625 -7.294 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.115 10.182 -5.553 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.360 9.138 -7.689 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.627 9.919 -6.818 1.00 0.00 C ATOM 0 H PHE A 82 4.976 9.946 -7.407 1.00 0.00 H new ATOM 0 HA PHE A 82 5.320 9.962 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.732 7.579 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.288 7.805 -4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.714 9.878 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.152 8.016 -7.980 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.542 10.790 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.980 8.928 -8.678 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.326 10.324 -7.125 1.00 0.00 H new ATOM 1271 N TYR A 83 7.383 8.648 -4.115 1.00 0.00 N ATOM 1272 CA TYR A 83 8.682 8.035 -3.865 1.00 0.00 C ATOM 1273 C TYR A 83 8.704 7.341 -2.507 1.00 0.00 C ATOM 1274 O TYR A 83 7.818 7.547 -1.676 1.00 0.00 O ATOM 1275 CB TYR A 83 9.788 9.089 -3.930 1.00 0.00 C ATOM 1276 CG TYR A 83 9.851 9.977 -2.708 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.496 9.555 -1.552 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.266 11.237 -2.709 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.555 10.362 -0.432 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.322 12.051 -1.595 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.967 11.610 -0.459 1.00 0.00 C ATOM 1282 OH TYR A 83 10.024 12.418 0.654 1.00 0.00 O ATOM 0 H TYR A 83 6.921 9.012 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 83 8.857 7.287 -4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.748 8.589 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.635 9.710 -4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.959 8.580 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.759 11.586 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.058 10.018 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.863 13.028 -1.613 1.00 0.00 H new ATOM 0 HH TYR A 83 9.448 12.049 1.356 1.00 0.00 H new ATOM 1292 N LEU A 84 9.724 6.518 -2.287 1.00 0.00 N ATOM 1293 CA LEU A 84 9.865 5.793 -1.029 1.00 0.00 C ATOM 1294 C LEU A 84 11.218 6.077 -0.385 1.00 0.00 C ATOM 1295 O LEU A 84 11.377 5.947 0.828 1.00 0.00 O ATOM 1296 CB LEU A 84 9.704 4.290 -1.264 1.00 0.00 C ATOM 1297 CG LEU A 84 8.575 3.874 -2.207 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.472 2.359 -2.281 1.00 0.00 C ATOM 1299 CD2 LEU A 84 7.253 4.479 -1.755 1.00 0.00 C ATOM 0 H LEU A 84 10.465 6.336 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 84 9.083 6.135 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.642 3.902 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.541 3.808 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 84 8.803 4.251 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.663 2.082 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.411 1.948 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.268 1.959 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.460 4.173 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.019 4.132 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.332 5.566 -1.755 1.00 0.00 H new ATOM 1311 N GLU A 85 12.188 6.467 -1.206 1.00 0.00 N ATOM 1312 CA GLU A 85 13.527 6.771 -0.715 1.00 0.00 C ATOM 1313 C GLU A 85 13.762 8.279 -0.674 1.00 0.00 C ATOM 1314 O GLU A 85 14.335 8.803 0.280 1.00 0.00 O ATOM 1315 CB GLU A 85 14.582 6.103 -1.599 1.00 0.00 C ATOM 1316 CG GLU A 85 14.145 5.930 -3.044 1.00 0.00 C ATOM 1317 CD GLU A 85 13.223 4.742 -3.236 1.00 0.00 C ATOM 1318 OE1 GLU A 85 13.708 3.594 -3.149 1.00 0.00 O ATOM 1319 OE2 GLU A 85 12.017 4.960 -3.474 1.00 0.00 O ATOM 0 H GLU A 85 12.072 6.580 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 85 13.612 6.380 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.495 6.698 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.827 5.126 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.639 6.836 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.026 5.807 -3.674 1.00 0.00 H new ATOM 1326 N GLY A 86 13.315 8.970 -1.718 1.00 0.00 N ATOM 1327 CA GLY A 86 13.487 10.410 -1.783 1.00 0.00 C ATOM 1328 C GLY A 86 14.087 10.863 -3.099 1.00 0.00 C ATOM 1329 O GLY A 86 13.611 11.821 -3.707 1.00 0.00 O ATOM 0 H GLY A 86 12.837 8.559 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.521 10.895 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.129 10.734 -0.964 1.00 0.00 H new ATOM 1333 N GLU A 87 15.137 10.175 -3.537 1.00 0.00 N ATOM 1334 CA GLU A 87 15.804 10.516 -4.789 1.00 0.00 C ATOM 1335 C GLU A 87 15.133 9.820 -5.970 1.00 0.00 C ATOM 1336 O GLU A 87 15.152 10.323 -7.093 1.00 0.00 O ATOM 1337 CB GLU A 87 17.282 10.127 -4.726 1.00 0.00 C ATOM 1338 CG GLU A 87 17.851 9.681 -6.063 1.00 0.00 C ATOM 1339 CD GLU A 87 17.919 10.809 -7.073 1.00 0.00 C ATOM 1340 OE1 GLU A 87 18.564 11.836 -6.772 1.00 0.00 O ATOM 1341 OE2 GLU A 87 17.329 10.666 -8.164 1.00 0.00 O ATOM 0 H GLU A 87 15.544 9.380 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 87 15.725 11.594 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.858 10.978 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.407 9.323 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.851 9.274 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.237 8.875 -6.465 1.00 0.00 H new ATOM 1348 N VAL A 88 14.540 8.660 -5.707 1.00 0.00 N ATOM 1349 CA VAL A 88 13.863 7.894 -6.746 1.00 0.00 C ATOM 1350 C VAL A 88 12.349 8.033 -6.633 1.00 0.00 C ATOM 1351 O VAL A 88 11.714 7.376 -5.807 1.00 0.00 O ATOM 1352 CB VAL A 88 14.237 6.402 -6.679 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.532 5.624 -7.779 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.745 6.226 -6.772 1.00 0.00 C ATOM 0 H VAL A 88 14.515 8.230 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 88 14.192 8.300 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 88 13.907 6.006 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.809 4.572 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.453 5.723 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.828 6.019 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.991 5.165 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.102 6.638 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.224 6.748 -5.944 1.00 0.00 H new ATOM 1364 N LEU A 89 11.775 8.892 -7.468 1.00 0.00 N ATOM 1365 CA LEU A 89 10.334 9.118 -7.462 1.00 0.00 C ATOM 1366 C LEU A 89 9.699 8.618 -8.756 1.00 0.00 C ATOM 1367 O LEU A 89 10.379 8.062 -9.619 1.00 0.00 O ATOM 1368 CB LEU A 89 10.031 10.605 -7.274 1.00 0.00 C ATOM 1369 CG LEU A 89 11.042 11.396 -6.443 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.107 12.008 -7.340 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.339 12.476 -5.634 1.00 0.00 C ATOM 0 H LEU A 89 12.285 9.443 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 89 9.907 8.559 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.958 11.068 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.052 10.699 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 89 11.529 10.710 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.818 12.567 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.631 11.216 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.636 12.680 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.074 13.029 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.824 13.160 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.614 12.014 -4.963 1.00 0.00 H new ATOM 1383 N PHE A 90 8.392 8.822 -8.886 1.00 0.00 N ATOM 1384 CA PHE A 90 7.666 8.393 -10.075 1.00 0.00 C ATOM 1385 C PHE A 90 6.505 9.337 -10.374 1.00 0.00 C ATOM 1386 O PHE A 90 5.587 9.485 -9.567 1.00 0.00 O ATOM 1387 CB PHE A 90 7.144 6.966 -9.893 1.00 0.00 C ATOM 1388 CG PHE A 90 8.233 5.948 -9.708 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.823 5.338 -10.803 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.666 5.601 -8.438 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.825 4.401 -10.636 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.668 4.666 -8.265 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.248 4.064 -9.365 1.00 0.00 C ATOM 0 H PHE A 90 7.814 9.282 -8.182 1.00 0.00 H new ATOM 0 HA PHE A 90 8.356 8.415 -10.919 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.481 6.938 -9.028 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.546 6.693 -10.762 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.496 5.598 -11.799 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.215 6.067 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.277 3.933 -11.498 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.998 4.406 -7.270 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.030 3.332 -9.231 1.00 0.00 H new ATOM 1403 N VAL A 91 6.554 9.975 -11.539 1.00 0.00 N ATOM 1404 CA VAL A 91 5.507 10.905 -11.945 1.00 0.00 C ATOM 1405 C VAL A 91 4.133 10.413 -11.504 1.00 0.00 C ATOM 1406 O VAL A 91 3.219 11.208 -11.283 1.00 0.00 O ATOM 1407 CB VAL A 91 5.500 11.110 -13.472 1.00 0.00 C ATOM 1408 CG1 VAL A 91 6.780 11.796 -13.924 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.317 9.780 -14.187 1.00 0.00 C ATOM 0 H VAL A 91 7.307 9.865 -12.218 1.00 0.00 H new ATOM 0 HA VAL A 91 5.723 11.856 -11.458 1.00 0.00 H new ATOM 0 HB VAL A 91 4.660 11.754 -13.731 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.757 11.933 -15.005 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.863 12.768 -13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.638 11.180 -13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.314 9.944 -15.265 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.135 9.110 -13.924 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.370 9.332 -13.886 1.00 0.00 H new ATOM 1419 N SER A 92 3.994 9.097 -11.376 1.00 0.00 N ATOM 1420 CA SER A 92 2.731 8.498 -10.963 1.00 0.00 C ATOM 1421 C SER A 92 2.939 7.064 -10.488 1.00 0.00 C ATOM 1422 O SER A 92 3.888 6.394 -10.895 1.00 0.00 O ATOM 1423 CB SER A 92 1.728 8.524 -12.119 1.00 0.00 C ATOM 1424 OG SER A 92 2.297 7.984 -13.299 1.00 0.00 O ATOM 0 H SER A 92 4.741 8.425 -11.553 1.00 0.00 H new ATOM 0 HA SER A 92 2.334 9.083 -10.133 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.839 7.955 -11.847 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.406 9.549 -12.303 1.00 0.00 H new ATOM 0 HG SER A 92 1.636 8.010 -14.022 1.00 0.00 H new ATOM 1430 N VAL A 93 2.044 6.598 -9.622 1.00 0.00 N ATOM 1431 CA VAL A 93 2.128 5.243 -9.091 1.00 0.00 C ATOM 1432 C VAL A 93 2.410 4.235 -10.198 1.00 0.00 C ATOM 1433 O VAL A 93 3.198 3.307 -10.022 1.00 0.00 O ATOM 1434 CB VAL A 93 0.829 4.843 -8.366 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.922 3.414 -7.852 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.534 5.809 -7.229 1.00 0.00 C ATOM 0 H VAL A 93 1.253 7.139 -9.274 1.00 0.00 H new ATOM 0 HA VAL A 93 2.952 5.234 -8.377 1.00 0.00 H new ATOM 0 HB VAL A 93 0.006 4.894 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.005 3.149 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.082 2.736 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.755 3.332 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.387 5.511 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.357 5.792 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.420 6.817 -7.628 1.00 0.00 H new ATOM 1446 N GLY A 94 1.761 4.424 -11.343 1.00 0.00 N ATOM 1447 CA GLY A 94 1.956 3.523 -12.464 1.00 0.00 C ATOM 1448 C GLY A 94 3.422 3.280 -12.764 1.00 0.00 C ATOM 1449 O GLY A 94 3.920 2.167 -12.595 1.00 0.00 O ATOM 0 H GLY A 94 1.104 5.185 -11.514 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.469 2.571 -12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.471 3.937 -13.348 1.00 0.00 H new ATOM 1453 N SER A 95 4.113 4.322 -13.213 1.00 0.00 N ATOM 1454 CA SER A 95 5.530 4.215 -13.542 1.00 0.00 C ATOM 1455 C SER A 95 6.287 3.468 -12.449 1.00 0.00 C ATOM 1456 O SER A 95 7.114 2.602 -12.734 1.00 0.00 O ATOM 1457 CB SER A 95 6.136 5.606 -13.738 1.00 0.00 C ATOM 1458 OG SER A 95 7.187 5.575 -14.689 1.00 0.00 O ATOM 0 H SER A 95 3.715 5.250 -13.358 1.00 0.00 H new ATOM 0 HA SER A 95 5.620 3.653 -14.471 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.363 6.300 -14.068 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.514 5.979 -12.786 1.00 0.00 H new ATOM 0 HG SER A 95 7.557 6.476 -14.798 1.00 0.00 H new ATOM 1464 N MET A 96 5.997 3.809 -11.198 1.00 0.00 N ATOM 1465 CA MET A 96 6.650 3.169 -10.061 1.00 0.00 C ATOM 1466 C MET A 96 6.460 1.657 -10.106 1.00 0.00 C ATOM 1467 O MET A 96 7.425 0.897 -10.024 1.00 0.00 O ATOM 1468 CB MET A 96 6.096 3.726 -8.749 1.00 0.00 C ATOM 1469 CG MET A 96 6.801 3.187 -7.514 1.00 0.00 C ATOM 1470 SD MET A 96 6.334 4.064 -6.009 1.00 0.00 S ATOM 1471 CE MET A 96 4.622 3.562 -5.843 1.00 0.00 C ATOM 0 H MET A 96 5.315 4.524 -10.945 1.00 0.00 H new ATOM 0 HA MET A 96 7.717 3.385 -10.117 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.181 4.813 -8.761 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.034 3.490 -8.683 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.568 2.128 -7.400 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.879 3.262 -7.654 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.239 3.891 -4.877 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.032 4.013 -6.640 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.553 2.476 -5.910 1.00 0.00 H new ATOM 1481 N VAL A 97 5.209 1.225 -10.236 1.00 0.00 N ATOM 1482 CA VAL A 97 4.893 -0.197 -10.292 1.00 0.00 C ATOM 1483 C VAL A 97 5.670 -0.889 -11.407 1.00 0.00 C ATOM 1484 O VAL A 97 6.223 -1.971 -11.211 1.00 0.00 O ATOM 1485 CB VAL A 97 3.386 -0.429 -10.511 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.071 -1.917 -10.520 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.576 0.290 -9.443 1.00 0.00 C ATOM 0 H VAL A 97 4.398 1.840 -10.304 1.00 0.00 H new ATOM 0 HA VAL A 97 5.183 -0.624 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 97 3.110 -0.018 -11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.002 -2.062 -10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.624 -2.401 -11.325 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.361 -2.356 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.514 0.115 -9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.853 -0.089 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.780 1.360 -9.490 1.00 0.00 H new ATOM 1497 N GLU A 98 5.707 -0.257 -12.576 1.00 0.00 N ATOM 1498 CA GLU A 98 6.416 -0.813 -13.722 1.00 0.00 C ATOM 1499 C GLU A 98 7.919 -0.867 -13.458 1.00 0.00 C ATOM 1500 O GLU A 98 8.610 -1.773 -13.925 1.00 0.00 O ATOM 1501 CB GLU A 98 6.137 0.019 -14.975 1.00 0.00 C ATOM 1502 CG GLU A 98 4.771 0.684 -14.972 1.00 0.00 C ATOM 1503 CD GLU A 98 4.201 0.853 -16.367 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.482 1.893 -17.000 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.475 -0.053 -16.826 1.00 0.00 O ATOM 0 H GLU A 98 5.255 0.640 -12.754 1.00 0.00 H new ATOM 0 HA GLU A 98 6.056 -1.829 -13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.905 0.786 -15.070 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.217 -0.623 -15.852 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.083 0.089 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.848 1.661 -14.494 1.00 0.00 H new ATOM 1512 N HIS A 99 8.417 0.110 -12.707 1.00 0.00 N ATOM 1513 CA HIS A 99 9.837 0.175 -12.381 1.00 0.00 C ATOM 1514 C HIS A 99 10.224 -0.942 -11.417 1.00 0.00 C ATOM 1515 O HIS A 99 11.213 -1.645 -11.630 1.00 0.00 O ATOM 1516 CB HIS A 99 10.180 1.534 -11.769 1.00 0.00 C ATOM 1517 CG HIS A 99 11.420 1.517 -10.930 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.727 0.811 -9.816 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.525 2.295 -11.204 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.998 1.171 -9.443 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.458 2.068 -10.297 1.00 0.00 N flip ATOM 0 H HIS A 99 7.859 0.867 -12.313 1.00 0.00 H new ATOM 0 HA HIS A 99 10.403 0.047 -13.304 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.303 2.263 -12.570 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.342 1.870 -11.158 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.126 0.137 -9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.614 2.983 -12.032 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.535 0.784 -8.590 1.00 0.00 H new ATOM 1530 N TYR A 100 9.440 -1.101 -10.356 1.00 0.00 N ATOM 1531 CA TYR A 100 9.703 -2.130 -9.358 1.00 0.00 C ATOM 1532 C TYR A 100 9.534 -3.524 -9.955 1.00 0.00 C ATOM 1533 O TYR A 100 10.227 -4.466 -9.570 1.00 0.00 O ATOM 1534 CB TYR A 100 8.768 -1.959 -8.160 1.00 0.00 C ATOM 1535 CG TYR A 100 9.046 -0.715 -7.348 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.348 -0.290 -7.115 1.00 0.00 C ATOM 1537 CD2 TYR A 100 8.006 0.036 -6.813 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.607 0.846 -6.373 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.256 1.174 -6.071 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.557 1.575 -5.853 1.00 0.00 C ATOM 1541 OH TYR A 100 9.810 2.708 -5.113 1.00 0.00 O ATOM 0 H TYR A 100 8.617 -0.530 -10.165 1.00 0.00 H new ATOM 0 HA TYR A 100 10.735 -2.021 -9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.738 -1.928 -8.515 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.856 -2.832 -7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.172 -0.858 -7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.985 -0.275 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.625 1.162 -6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.436 1.747 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 100 9.071 3.342 -5.222 1.00 0.00 H new ATOM 1551 N HIS A 101 8.606 -3.647 -10.900 1.00 0.00 N ATOM 1552 CA HIS A 101 8.345 -4.925 -11.553 1.00 0.00 C ATOM 1553 C HIS A 101 9.645 -5.684 -11.801 1.00 0.00 C ATOM 1554 O HIS A 101 9.661 -6.915 -11.835 1.00 0.00 O ATOM 1555 CB HIS A 101 7.609 -4.705 -12.874 1.00 0.00 C ATOM 1556 CG HIS A 101 6.117 -4.752 -12.744 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.278 -5.026 -13.804 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.316 -4.560 -11.671 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.024 -4.998 -13.387 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.020 -4.719 -12.097 1.00 0.00 N ATOM 0 H HIS A 101 8.023 -2.878 -11.230 1.00 0.00 H new ATOM 0 HA HIS A 101 7.717 -5.522 -10.891 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.899 -3.738 -13.285 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.927 -5.464 -13.589 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.636 -4.325 -10.667 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.151 -5.174 -13.998 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.189 -4.635 -11.511 1.00 0.00 H new ATOM 1569 N THR A 102 10.734 -4.942 -11.975 1.00 0.00 N ATOM 1570 CA THR A 102 12.038 -5.544 -12.222 1.00 0.00 C ATOM 1571 C THR A 102 13.006 -5.248 -11.082 1.00 0.00 C ATOM 1572 O THR A 102 13.922 -6.025 -10.814 1.00 0.00 O ATOM 1573 CB THR A 102 12.649 -5.040 -13.543 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.918 -3.636 -13.454 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.711 -5.308 -14.710 1.00 0.00 C ATOM 0 H THR A 102 10.739 -3.922 -11.949 1.00 0.00 H new ATOM 0 HA THR A 102 11.880 -6.620 -12.291 1.00 0.00 H new ATOM 0 HB THR A 102 13.581 -5.578 -13.715 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.308 -3.323 -14.297 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.164 -4.943 -15.632 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.531 -6.380 -14.793 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.765 -4.793 -14.542 1.00 0.00 H new ATOM 1583 N HIS A 103 12.796 -4.119 -10.412 1.00 0.00 N ATOM 1584 CA HIS A 103 13.650 -3.720 -9.299 1.00 0.00 C ATOM 1585 C HIS A 103 12.970 -4.005 -7.964 1.00 0.00 C ATOM 1586 O HIS A 103 12.227 -3.172 -7.444 1.00 0.00 O ATOM 1587 CB HIS A 103 13.997 -2.235 -9.402 1.00 0.00 C ATOM 1588 CG HIS A 103 15.236 -1.963 -10.198 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.179 -1.027 -9.828 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.684 -2.510 -11.352 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.153 -1.011 -10.720 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.877 -1.902 -11.655 1.00 0.00 N ATOM 0 H HIS A 103 12.042 -3.465 -10.621 1.00 0.00 H new ATOM 0 HA HIS A 103 14.569 -4.304 -9.350 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.160 -1.705 -9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.124 -1.829 -8.398 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.194 -3.281 -11.928 1.00 0.00 H new ATOM 0 HE1 HIS A 103 18.027 -0.377 -10.690 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.456 -2.105 -12.470 1.00 0.00 H new ATOM 1601 N VAL A 104 13.228 -5.187 -7.413 1.00 0.00 N ATOM 1602 CA VAL A 104 12.641 -5.582 -6.138 1.00 0.00 C ATOM 1603 C VAL A 104 12.592 -4.406 -5.169 1.00 0.00 C ATOM 1604 O VAL A 104 13.490 -3.562 -5.153 1.00 0.00 O ATOM 1605 CB VAL A 104 13.430 -6.735 -5.490 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.926 -6.493 -5.611 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.024 -6.905 -4.034 1.00 0.00 C ATOM 0 H VAL A 104 13.840 -5.888 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 104 11.626 -5.920 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 104 13.193 -7.658 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.467 -7.318 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.200 -6.426 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.186 -5.561 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.591 -7.724 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.231 -5.984 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.959 -7.129 -3.977 1.00 0.00 H new ATOM 1617 N LEU A 105 11.540 -4.357 -4.360 1.00 0.00 N ATOM 1618 CA LEU A 105 11.373 -3.284 -3.385 1.00 0.00 C ATOM 1619 C LEU A 105 12.390 -3.413 -2.256 1.00 0.00 C ATOM 1620 O LEU A 105 12.913 -4.492 -1.977 1.00 0.00 O ATOM 1621 CB LEU A 105 9.954 -3.303 -2.814 1.00 0.00 C ATOM 1622 CG LEU A 105 8.829 -3.553 -3.819 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.619 -4.158 -3.125 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.451 -2.261 -4.527 1.00 0.00 C ATOM 0 H LEU A 105 10.789 -5.048 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 105 11.540 -2.334 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.904 -4.073 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.769 -2.348 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 105 9.185 -4.262 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.828 -4.329 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.899 -5.106 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.261 -3.474 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.649 -2.457 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.114 -1.529 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.319 -1.869 -5.057 1.00 0.00 H new ATOM 1636 N PRO A 106 12.678 -2.286 -1.587 1.00 0.00 N ATOM 1637 CA PRO A 106 13.632 -2.247 -0.475 1.00 0.00 C ATOM 1638 C PRO A 106 13.108 -2.965 0.764 1.00 0.00 C ATOM 1639 O PRO A 106 11.901 -3.153 0.921 1.00 0.00 O ATOM 1640 CB PRO A 106 13.793 -0.750 -0.197 1.00 0.00 C ATOM 1641 CG PRO A 106 12.526 -0.137 -0.686 1.00 0.00 C ATOM 1642 CD PRO A 106 12.093 -0.964 -1.864 1.00 0.00 C ATOM 0 HA PRO A 106 14.566 -2.751 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.942 -0.558 0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.658 -0.341 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.765 -0.140 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.682 0.902 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 106 11.007 -1.014 -1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.462 -0.550 -2.803 1.00 0.00 H new ATOM 1650 N SER A 107 14.022 -3.364 1.643 1.00 0.00 N ATOM 1651 CA SER A 107 13.652 -4.065 2.867 1.00 0.00 C ATOM 1652 C SER A 107 13.264 -5.510 2.569 1.00 0.00 C ATOM 1653 O SER A 107 12.511 -6.130 3.321 1.00 0.00 O ATOM 1654 CB SER A 107 12.493 -3.346 3.560 1.00 0.00 C ATOM 1655 OG SER A 107 12.383 -3.744 4.915 1.00 0.00 O ATOM 0 H SER A 107 15.025 -3.214 1.530 1.00 0.00 H new ATOM 0 HA SER A 107 14.517 -4.069 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.645 -2.268 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.562 -3.563 3.037 1.00 0.00 H new ATOM 0 HG SER A 107 12.377 -4.722 4.969 1.00 0.00 H new ATOM 1661 N HIS A 108 13.784 -6.041 1.467 1.00 0.00 N ATOM 1662 CA HIS A 108 13.494 -7.414 1.070 1.00 0.00 C ATOM 1663 C HIS A 108 14.585 -7.956 0.151 1.00 0.00 C ATOM 1664 O HIS A 108 15.587 -7.286 -0.098 1.00 0.00 O ATOM 1665 CB HIS A 108 12.138 -7.488 0.368 1.00 0.00 C ATOM 1666 CG HIS A 108 11.381 -8.748 0.657 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.429 -9.858 -0.160 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.557 -9.070 1.681 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.665 -10.808 0.349 1.00 0.00 C ATOM 1670 NE2 HIS A 108 10.125 -10.356 1.466 1.00 0.00 N ATOM 0 H HIS A 108 14.408 -5.542 0.833 1.00 0.00 H new ATOM 0 HA HIS A 108 13.463 -8.028 1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.534 -6.633 0.672 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.290 -7.404 -0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.289 -8.434 2.512 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.509 -11.788 -0.076 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.490 -10.877 2.071 1.00 0.00 H new ATOM 1679 N GLN A 109 14.383 -9.171 -0.347 1.00 0.00 N ATOM 1680 CA GLN A 109 15.351 -9.803 -1.236 1.00 0.00 C ATOM 1681 C GLN A 109 14.789 -9.936 -2.647 1.00 0.00 C ATOM 1682 O GLN A 109 15.374 -9.438 -3.609 1.00 0.00 O ATOM 1683 CB GLN A 109 15.745 -11.180 -0.699 1.00 0.00 C ATOM 1684 CG GLN A 109 14.561 -12.104 -0.466 1.00 0.00 C ATOM 1685 CD GLN A 109 14.899 -13.268 0.444 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.255 -14.351 -0.020 1.00 0.00 O ATOM 1687 NE2 GLN A 109 14.789 -13.050 1.749 1.00 0.00 N ATOM 0 H GLN A 109 13.558 -9.738 -0.150 1.00 0.00 H new ATOM 0 HA GLN A 109 16.237 -9.169 -1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.431 -11.652 -1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.287 -11.054 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.740 -11.534 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.210 -12.487 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.490 -12.136 2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.003 -13.796 2.411 1.00 0.00 H new ATOM 1696 N SER A 110 13.650 -10.611 -2.763 1.00 0.00 N ATOM 1697 CA SER A 110 13.010 -10.813 -4.058 1.00 0.00 C ATOM 1698 C SER A 110 11.510 -10.548 -3.970 1.00 0.00 C ATOM 1699 O SER A 110 10.695 -11.406 -4.314 1.00 0.00 O ATOM 1700 CB SER A 110 13.259 -12.237 -4.557 1.00 0.00 C ATOM 1701 OG SER A 110 14.646 -12.490 -4.706 1.00 0.00 O ATOM 0 H SER A 110 13.151 -11.027 -1.976 1.00 0.00 H new ATOM 0 HA SER A 110 13.445 -10.107 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.829 -12.952 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.755 -12.385 -5.512 1.00 0.00 H new ATOM 0 HG SER A 110 14.779 -13.407 -5.024 1.00 0.00 H new ATOM 1707 N LEU A 111 11.152 -9.356 -3.507 1.00 0.00 N ATOM 1708 CA LEU A 111 9.750 -8.976 -3.372 1.00 0.00 C ATOM 1709 C LEU A 111 9.360 -7.950 -4.431 1.00 0.00 C ATOM 1710 O LEU A 111 9.654 -6.761 -4.297 1.00 0.00 O ATOM 1711 CB LEU A 111 9.486 -8.411 -1.976 1.00 0.00 C ATOM 1712 CG LEU A 111 8.131 -7.731 -1.772 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.998 -8.681 -2.129 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.989 -7.244 -0.337 1.00 0.00 C ATOM 0 H LEU A 111 11.813 -8.635 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 111 9.142 -9.869 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.575 -9.223 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.270 -7.691 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 111 8.076 -6.867 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.042 -8.180 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.090 -8.980 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.050 -9.564 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.019 -6.763 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.065 -8.092 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.781 -6.528 -0.116 1.00 0.00 H new ATOM 1726 N LEU A 112 8.695 -8.416 -5.483 1.00 0.00 N ATOM 1727 CA LEU A 112 8.262 -7.538 -6.564 1.00 0.00 C ATOM 1728 C LEU A 112 6.741 -7.519 -6.674 1.00 0.00 C ATOM 1729 O LEU A 112 6.053 -8.334 -6.058 1.00 0.00 O ATOM 1730 CB LEU A 112 8.875 -7.990 -7.891 1.00 0.00 C ATOM 1731 CG LEU A 112 10.381 -8.255 -7.879 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.714 -9.477 -8.720 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.141 -7.036 -8.380 1.00 0.00 C ATOM 0 H LEU A 112 8.444 -9.397 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 112 8.604 -6.528 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.369 -8.901 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.666 -7.229 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 112 10.688 -8.452 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.790 -9.650 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.198 -10.348 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.393 -9.310 -9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.211 -7.243 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.830 -6.807 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.927 -6.183 -7.735 1.00 0.00 H new ATOM 1745 N LEU A 113 6.221 -6.586 -7.464 1.00 0.00 N ATOM 1746 CA LEU A 113 4.781 -6.462 -7.658 1.00 0.00 C ATOM 1747 C LEU A 113 4.316 -7.304 -8.841 1.00 0.00 C ATOM 1748 O LEU A 113 4.399 -6.874 -9.992 1.00 0.00 O ATOM 1749 CB LEU A 113 4.400 -4.997 -7.878 1.00 0.00 C ATOM 1750 CG LEU A 113 5.008 -3.991 -6.900 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.939 -2.583 -7.471 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.298 -4.058 -5.556 1.00 0.00 C ATOM 0 H LEU A 113 6.776 -5.904 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 113 4.286 -6.828 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.694 -4.714 -8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.314 -4.913 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 113 6.056 -4.249 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.376 -1.881 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.493 -2.543 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.898 -2.315 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.744 -3.335 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.241 -3.826 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.399 -5.061 -5.141 1.00 0.00 H new ATOM 1764 N ARG A 114 3.824 -8.504 -8.550 1.00 0.00 N ATOM 1765 CA ARG A 114 3.344 -9.406 -9.591 1.00 0.00 C ATOM 1766 C ARG A 114 1.869 -9.155 -9.889 1.00 0.00 C ATOM 1767 O ARG A 114 1.501 -8.820 -11.016 1.00 0.00 O ATOM 1768 CB ARG A 114 3.551 -10.861 -9.168 1.00 0.00 C ATOM 1769 CG ARG A 114 5.010 -11.240 -8.979 1.00 0.00 C ATOM 1770 CD ARG A 114 5.173 -12.322 -7.922 1.00 0.00 C ATOM 1771 NE ARG A 114 6.559 -12.452 -7.481 1.00 0.00 N ATOM 1772 CZ ARG A 114 7.095 -11.716 -6.514 1.00 0.00 C ATOM 1773 NH1 ARG A 114 6.365 -10.802 -5.890 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.364 -11.894 -6.169 1.00 0.00 N ATOM 0 H ARG A 114 3.747 -8.874 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 114 3.917 -9.214 -10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.015 -11.039 -8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.109 -11.515 -9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.422 -11.590 -9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.581 -10.358 -8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.540 -12.090 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.829 -13.275 -8.323 1.00 0.00 H new ATOM 0 HE ARG A 114 7.148 -13.146 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.389 -10.663 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.779 -10.238 -5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.929 -12.596 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.775 -11.328 -5.426 1.00 0.00 H new ATOM 1788 N HIS A 115 1.029 -9.321 -8.873 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.407 -9.113 -9.027 1.00 0.00 C ATOM 1790 C HIS A 115 -0.932 -8.144 -7.971 1.00 0.00 C ATOM 1791 O HIS A 115 -0.657 -8.278 -6.779 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.150 -10.445 -8.927 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.376 -11.606 -9.472 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.093 -11.758 -10.813 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.178 -12.672 -8.848 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.599 -12.869 -10.991 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.778 -13.442 -9.814 1.00 0.00 N ATOM 0 H HIS A 115 1.317 -9.599 -7.935 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.583 -8.680 -10.012 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.392 -10.639 -7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.095 -10.365 -9.464 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.153 -12.878 -7.788 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.958 -13.245 -11.938 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.280 -14.314 -9.650 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.704 -7.143 -8.418 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.283 -6.132 -7.529 1.00 0.00 C ATOM 1808 C PRO A 116 -3.375 -6.706 -6.632 1.00 0.00 C ATOM 1809 O PRO A 116 -3.723 -7.882 -6.736 1.00 0.00 O ATOM 1810 CB PRO A 116 -2.872 -5.103 -8.497 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.144 -5.869 -9.745 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.073 -6.921 -9.827 1.00 0.00 C ATOM 0 HA PRO A 116 -1.542 -5.718 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.784 -4.661 -8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.174 -4.285 -8.678 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.135 -6.322 -9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.117 -5.216 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.442 -7.834 -10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.221 -6.582 -10.417 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.912 -5.868 -5.752 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.964 -6.293 -4.836 1.00 0.00 C ATOM 1822 C TYR A 117 -6.342 -5.930 -5.382 1.00 0.00 C ATOM 1823 O TYR A 117 -6.497 -4.945 -6.102 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.762 -5.651 -3.462 1.00 0.00 C ATOM 1825 CG TYR A 117 -5.978 -5.740 -2.568 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.426 -6.966 -2.091 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.678 -4.598 -2.198 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.537 -7.052 -1.275 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.789 -4.675 -1.380 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.215 -5.904 -0.922 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.321 -5.986 -0.107 1.00 0.00 O ATOM 0 H TYR A 117 -3.636 -4.891 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.907 -7.377 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.920 -6.133 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.496 -4.603 -3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.896 -7.867 -2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.348 -3.634 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.873 -8.013 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.321 -3.777 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.681 -5.088 0.047 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.340 -6.735 -5.032 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.693 -6.483 -5.494 1.00 0.00 C ATOM 1843 C GLY A 118 -8.898 -6.896 -6.938 1.00 0.00 C ATOM 1844 O GLY A 118 -9.899 -7.530 -7.273 1.00 0.00 O ATOM 0 H GLY A 118 -7.236 -7.557 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.397 -7.024 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.919 -5.422 -5.387 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.950 -6.536 -7.795 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.033 -6.870 -9.212 1.00 0.00 C ATOM 1850 C TYR A 119 -8.548 -8.293 -9.407 1.00 0.00 C ATOM 1851 O TYR A 119 -8.528 -9.106 -8.483 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.663 -6.716 -9.875 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.691 -6.914 -11.374 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.425 -6.066 -12.194 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -5.981 -7.949 -11.971 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.453 -6.244 -13.563 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.002 -8.134 -13.340 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.740 -7.279 -14.132 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.765 -7.459 -15.496 1.00 0.00 O ATOM 0 H TYR A 119 -7.115 -6.013 -7.533 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.736 -6.181 -9.681 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.272 -5.723 -9.655 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.972 -7.435 -9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.983 -5.253 -11.753 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.403 -8.621 -11.354 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.030 -5.576 -14.185 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.444 -8.943 -13.787 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.210 -8.231 -15.734 1.00 0.00 H new