USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 705 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 69 ASN : amide:sc= 0 X(o=-0.11,f=0.18) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.108 K(o=-0.11,f=-6.1!) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 29 SER OG : rot 180:sc= -0.193 USER MOD Set 3.1: A 16 THR OG1 : rot 116:sc= 0.484 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0.0191 (180deg=-0.0107) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc=-2.82e-05 (180deg=-0.114) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.381 F(o=-1.4,f=-0.38) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -2.88 (180deg=-3.42) USER MOD Single : A 37 SER OG : rot 180:sc= -0.294 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.14 (180deg=-0.8) USER MOD Single : A 40 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0.28 (180deg=0.278) USER MOD Single : A 49 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.38) USER MOD Single : A 50 GLN : amide:sc= -9.43! C(o=-9.4!,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.279) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 66 SER OG : rot -17:sc= 0.511 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 23:sc= -0.335 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= -1.04 (180deg=-2.84!) USER MOD Single : A 104 SER OG : rot -22:sc= 0.516 USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 103.871 -1.082 -0.388 1.00 0.00 N ATOM 165 CA GLN A 11 102.823 -0.149 -0.773 1.00 0.00 C ATOM 166 C GLN A 11 101.649 -0.899 -1.394 1.00 0.00 C ATOM 167 O GLN A 11 101.774 -1.499 -2.464 1.00 0.00 O ATOM 168 CB GLN A 11 103.382 0.884 -1.757 1.00 0.00 C ATOM 169 CG GLN A 11 103.914 0.185 -3.015 1.00 0.00 C ATOM 170 CD GLN A 11 105.061 0.993 -3.615 1.00 0.00 C ATOM 171 OE1 GLN A 11 104.872 2.248 -3.919 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 106.156 0.467 -3.814 1.00 0.00 N flip ATOM 0 HA GLN A 11 102.466 0.371 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.603 1.596 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.182 1.453 -1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.257 -0.819 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.113 0.076 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 11 106.301 -0.514 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.918 1.012 -4.217 1.00 0.00 H new ATOM 181 N ILE A 12 100.514 -0.879 -0.703 1.00 0.00 N ATOM 182 CA ILE A 12 99.323 -1.576 -1.180 1.00 0.00 C ATOM 183 C ILE A 12 98.759 -0.922 -2.435 1.00 0.00 C ATOM 184 O ILE A 12 99.103 0.211 -2.774 1.00 0.00 O ATOM 185 CB ILE A 12 98.243 -1.589 -0.092 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.912 -0.150 0.322 1.00 0.00 C ATOM 187 CG2 ILE A 12 98.741 -2.377 1.124 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.609 -0.130 1.128 1.00 0.00 C ATOM 0 H ILE A 12 100.393 -0.391 0.184 1.00 0.00 H new ATOM 0 HA ILE A 12 99.617 -2.597 -1.422 1.00 0.00 H new ATOM 0 HB ILE A 12 97.345 -2.067 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.726 0.263 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.813 0.479 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 12 97.970 -2.383 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 12 98.965 -3.401 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.643 -1.908 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.378 0.894 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.797 -0.525 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.724 -0.745 2.021 1.00 0.00 H new ATOM 200 N PHE A 13 97.870 -1.651 -3.100 1.00 0.00 N ATOM 201 CA PHE A 13 97.219 -1.162 -4.307 1.00 0.00 C ATOM 202 C PHE A 13 95.776 -0.805 -3.976 1.00 0.00 C ATOM 203 O PHE A 13 94.998 -1.661 -3.564 1.00 0.00 O ATOM 204 CB PHE A 13 97.292 -2.246 -5.396 1.00 0.00 C ATOM 205 CG PHE A 13 96.305 -1.989 -6.513 1.00 0.00 C ATOM 206 CD1 PHE A 13 95.895 -0.688 -6.827 1.00 0.00 C ATOM 207 CD2 PHE A 13 95.805 -3.073 -7.247 1.00 0.00 C ATOM 208 CE1 PHE A 13 94.990 -0.474 -7.870 1.00 0.00 C ATOM 209 CE2 PHE A 13 94.901 -2.858 -8.289 1.00 0.00 C ATOM 210 CZ PHE A 13 94.494 -1.559 -8.601 1.00 0.00 C ATOM 0 H PHE A 13 97.583 -2.589 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 13 97.720 -0.270 -4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 13 98.302 -2.283 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 13 97.092 -3.221 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 13 96.278 0.150 -6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 13 96.120 -4.078 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 13 94.673 0.530 -8.112 1.00 0.00 H new ATOM 0 HE2 PHE A 13 94.517 -3.695 -8.853 1.00 0.00 H new ATOM 0 HZ PHE A 13 93.796 -1.392 -9.408 1.00 0.00 H new ATOM 220 N ALA A 14 95.432 0.467 -4.153 1.00 0.00 N ATOM 221 CA ALA A 14 94.084 0.935 -3.862 1.00 0.00 C ATOM 222 C ALA A 14 93.345 1.277 -5.148 1.00 0.00 C ATOM 223 O ALA A 14 93.767 2.146 -5.910 1.00 0.00 O ATOM 224 CB ALA A 14 94.142 2.170 -2.960 1.00 0.00 C ATOM 0 H ALA A 14 96.066 1.189 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 14 93.547 0.137 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 14 93.130 2.513 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.642 1.915 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.696 2.963 -3.463 1.00 0.00 H new ATOM 230 N LYS A 15 92.233 0.589 -5.368 1.00 0.00 N ATOM 231 CA LYS A 15 91.415 0.820 -6.551 1.00 0.00 C ATOM 232 C LYS A 15 90.157 1.592 -6.172 1.00 0.00 C ATOM 233 O LYS A 15 89.702 1.529 -5.031 1.00 0.00 O ATOM 234 CB LYS A 15 91.025 -0.519 -7.189 1.00 0.00 C ATOM 235 CG LYS A 15 90.362 -0.274 -8.552 1.00 0.00 C ATOM 236 CD LYS A 15 91.409 -0.364 -9.665 1.00 0.00 C ATOM 237 CE LYS A 15 91.424 -1.781 -10.250 1.00 0.00 C ATOM 238 NZ LYS A 15 91.608 -2.775 -9.154 1.00 0.00 N ATOM 0 H LYS A 15 91.876 -0.134 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 15 91.992 1.404 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.909 -1.145 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.341 -1.059 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.575 -1.009 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 15 89.889 0.708 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.184 0.360 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.394 -0.113 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 15 90.491 -1.977 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 15 92.229 -1.876 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 91.652 -3.733 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 92.493 -2.572 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 90.808 -2.714 -8.492 1.00 0.00 H new ATOM 252 N THR A 16 89.595 2.303 -7.140 1.00 0.00 N ATOM 253 CA THR A 16 88.379 3.069 -6.909 1.00 0.00 C ATOM 254 C THR A 16 87.222 2.467 -7.697 1.00 0.00 C ATOM 255 O THR A 16 87.429 1.634 -8.580 1.00 0.00 O ATOM 256 CB THR A 16 88.581 4.526 -7.328 1.00 0.00 C ATOM 257 OG1 THR A 16 88.953 4.575 -8.696 1.00 0.00 O ATOM 258 CG2 THR A 16 89.680 5.164 -6.473 1.00 0.00 C ATOM 0 H THR A 16 89.961 2.365 -8.090 1.00 0.00 H new ATOM 0 HA THR A 16 88.146 3.034 -5.845 1.00 0.00 H new ATOM 0 HB THR A 16 87.651 5.076 -7.183 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.259 5.042 -9.207 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.820 6.202 -6.776 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.391 5.128 -5.423 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.612 4.617 -6.612 1.00 0.00 H new ATOM 266 N LEU A 17 86.007 2.901 -7.378 1.00 0.00 N ATOM 267 CA LEU A 17 84.822 2.408 -8.068 1.00 0.00 C ATOM 268 C LEU A 17 84.970 2.617 -9.572 1.00 0.00 C ATOM 269 O LEU A 17 84.753 1.699 -10.366 1.00 0.00 O ATOM 270 CB LEU A 17 83.584 3.157 -7.555 1.00 0.00 C ATOM 271 CG LEU A 17 82.305 2.357 -7.836 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.107 2.175 -9.344 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.392 0.983 -7.160 1.00 0.00 C ATOM 0 H LEU A 17 85.818 3.590 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 17 84.707 1.342 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.679 3.334 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.520 4.134 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 17 81.455 2.908 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.195 1.606 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 17 82.025 3.152 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.959 1.638 -9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.481 0.419 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 17 83.251 0.438 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.506 1.114 -6.084 1.00 0.00 H new ATOM 285 N THR A 18 85.351 3.833 -9.952 1.00 0.00 N ATOM 286 CA THR A 18 85.535 4.174 -11.358 1.00 0.00 C ATOM 287 C THR A 18 86.623 3.308 -11.995 1.00 0.00 C ATOM 288 O THR A 18 86.677 3.165 -13.216 1.00 0.00 O ATOM 289 CB THR A 18 85.908 5.653 -11.482 1.00 0.00 C ATOM 290 OG1 THR A 18 87.118 5.895 -10.775 1.00 0.00 O ATOM 291 CG2 THR A 18 84.785 6.513 -10.891 1.00 0.00 C ATOM 0 H THR A 18 85.538 4.599 -9.305 1.00 0.00 H new ATOM 0 HA THR A 18 84.599 3.986 -11.885 1.00 0.00 H new ATOM 0 HB THR A 18 86.045 5.909 -12.533 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.360 6.841 -10.854 1.00 0.00 H new ATOM 0 HG21 THR A 18 85.049 7.567 -10.979 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.859 6.325 -11.434 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.647 6.260 -9.840 1.00 0.00 H new ATOM 299 N GLY A 19 87.479 2.724 -11.157 1.00 0.00 N ATOM 300 CA GLY A 19 88.554 1.861 -11.647 1.00 0.00 C ATOM 301 C GLY A 19 89.884 2.606 -11.736 1.00 0.00 C ATOM 302 O GLY A 19 90.683 2.355 -12.640 1.00 0.00 O ATOM 0 H GLY A 19 87.450 2.831 -10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.662 1.003 -10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.289 1.473 -12.630 1.00 0.00 H new ATOM 306 N LYS A 20 90.123 3.512 -10.791 1.00 0.00 N ATOM 307 CA LYS A 20 91.370 4.277 -10.768 1.00 0.00 C ATOM 308 C LYS A 20 92.425 3.538 -9.949 1.00 0.00 C ATOM 309 O LYS A 20 92.112 2.953 -8.912 1.00 0.00 O ATOM 310 CB LYS A 20 91.125 5.664 -10.165 1.00 0.00 C ATOM 311 CG LYS A 20 92.123 6.672 -10.748 1.00 0.00 C ATOM 312 CD LYS A 20 93.267 6.898 -9.755 1.00 0.00 C ATOM 313 CE LYS A 20 94.238 7.937 -10.318 1.00 0.00 C ATOM 314 NZ LYS A 20 93.628 9.293 -10.216 1.00 0.00 N ATOM 0 H LYS A 20 89.475 3.735 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 20 91.729 4.391 -11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.105 5.986 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 20 91.229 5.622 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.518 6.302 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.620 7.616 -10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.870 7.238 -8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.790 5.960 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 95.179 7.907 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 20 94.470 7.708 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 94.356 10.015 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 92.872 9.388 -10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 93.229 9.424 -9.264 1.00 0.00 H new ATOM 328 N THR A 21 93.670 3.561 -10.421 1.00 0.00 N ATOM 329 CA THR A 21 94.759 2.878 -9.722 1.00 0.00 C ATOM 330 C THR A 21 95.539 3.852 -8.840 1.00 0.00 C ATOM 331 O THR A 21 96.083 4.845 -9.326 1.00 0.00 O ATOM 332 CB THR A 21 95.705 2.231 -10.742 1.00 0.00 C ATOM 333 OG1 THR A 21 94.965 1.830 -11.886 1.00 0.00 O ATOM 334 CG2 THR A 21 96.382 1.007 -10.118 1.00 0.00 C ATOM 0 H THR A 21 93.949 4.040 -11.277 1.00 0.00 H new ATOM 0 HA THR A 21 94.327 2.107 -9.084 1.00 0.00 H new ATOM 0 HB THR A 21 96.467 2.954 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.569 1.418 -12.539 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.053 0.551 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.953 1.314 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.623 0.283 -9.821 1.00 0.00 H new ATOM 342 N ILE A 22 95.589 3.555 -7.540 1.00 0.00 N ATOM 343 CA ILE A 22 96.308 4.403 -6.587 1.00 0.00 C ATOM 344 C ILE A 22 97.180 3.554 -5.664 1.00 0.00 C ATOM 345 O ILE A 22 96.730 2.533 -5.143 1.00 0.00 O ATOM 346 CB ILE A 22 95.316 5.221 -5.752 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.290 5.889 -6.679 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.075 6.299 -4.972 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.193 6.552 -5.842 1.00 0.00 C ATOM 0 H ILE A 22 95.142 2.738 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 22 96.949 5.082 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 22 94.799 4.561 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.782 6.633 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.853 5.148 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.371 6.882 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.803 5.826 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.592 6.957 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.467 7.025 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.693 5.798 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.637 7.306 -5.192 1.00 0.00 H new ATOM 361 N THR A 23 98.430 3.977 -5.473 1.00 0.00 N ATOM 362 CA THR A 23 99.360 3.241 -4.617 1.00 0.00 C ATOM 363 C THR A 23 99.709 4.044 -3.362 1.00 0.00 C ATOM 364 O THR A 23 100.022 5.233 -3.440 1.00 0.00 O ATOM 365 CB THR A 23 100.639 2.928 -5.399 1.00 0.00 C ATOM 366 OG1 THR A 23 100.322 2.090 -6.502 1.00 0.00 O ATOM 367 CG2 THR A 23 101.643 2.216 -4.491 1.00 0.00 C ATOM 0 H THR A 23 98.820 4.819 -5.896 1.00 0.00 H new ATOM 0 HA THR A 23 98.879 2.314 -4.307 1.00 0.00 H new ATOM 0 HB THR A 23 101.079 3.859 -5.758 1.00 0.00 H new ATOM 0 HG1 THR A 23 101.138 1.889 -7.006 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.550 1.996 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.887 2.858 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.208 1.285 -4.127 1.00 0.00 H new ATOM 375 N LEU A 24 99.662 3.375 -2.209 1.00 0.00 N ATOM 376 CA LEU A 24 99.983 4.018 -0.933 1.00 0.00 C ATOM 377 C LEU A 24 100.927 3.139 -0.110 1.00 0.00 C ATOM 378 O LEU A 24 100.759 1.919 -0.052 1.00 0.00 O ATOM 379 CB LEU A 24 98.703 4.301 -0.129 1.00 0.00 C ATOM 380 CG LEU A 24 97.569 3.379 -0.591 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.566 3.194 0.550 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.856 3.999 -1.801 1.00 0.00 C ATOM 0 H LEU A 24 99.406 2.391 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 24 100.479 4.964 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.893 4.151 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.408 5.343 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 24 97.985 2.412 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.759 2.538 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.069 2.749 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.154 4.163 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.051 3.340 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.442 4.968 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.569 4.130 -2.615 1.00 0.00 H new ATOM 394 N GLU A 25 101.917 3.773 0.521 1.00 0.00 N ATOM 395 CA GLU A 25 102.893 3.051 1.340 1.00 0.00 C ATOM 396 C GLU A 25 102.347 2.808 2.745 1.00 0.00 C ATOM 397 O GLU A 25 102.276 3.730 3.560 1.00 0.00 O ATOM 398 CB GLU A 25 104.197 3.853 1.428 1.00 0.00 C ATOM 399 CG GLU A 25 104.658 4.254 0.022 1.00 0.00 C ATOM 400 CD GLU A 25 104.012 5.577 -0.388 1.00 0.00 C ATOM 401 OE1 GLU A 25 104.340 6.586 0.215 1.00 0.00 O ATOM 402 OE2 GLU A 25 103.200 5.563 -1.299 1.00 0.00 O ATOM 0 H GLU A 25 102.064 4.782 0.481 1.00 0.00 H new ATOM 0 HA GLU A 25 103.088 2.087 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.046 4.743 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.968 3.258 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.744 4.349 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.392 3.474 -0.692 1.00 0.00 H new ATOM 409 N VAL A 26 101.953 1.565 3.015 1.00 0.00 N ATOM 410 CA VAL A 26 101.400 1.213 4.323 1.00 0.00 C ATOM 411 C VAL A 26 101.947 -0.120 4.828 1.00 0.00 C ATOM 412 O VAL A 26 102.516 -0.903 4.069 1.00 0.00 O ATOM 413 CB VAL A 26 99.873 1.128 4.236 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.320 2.408 3.603 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.479 -0.079 3.379 1.00 0.00 C ATOM 0 H VAL A 26 102.005 0.791 2.353 1.00 0.00 H new ATOM 0 HA VAL A 26 101.695 1.992 5.025 1.00 0.00 H new ATOM 0 HB VAL A 26 99.459 1.015 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.234 2.344 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.600 3.266 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.733 2.526 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.393 -0.141 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.895 0.034 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.869 -0.990 3.833 1.00 0.00 H new ATOM 425 N GLU A 27 101.746 -0.369 6.120 1.00 0.00 N ATOM 426 CA GLU A 27 102.198 -1.610 6.740 1.00 0.00 C ATOM 427 C GLU A 27 101.230 -2.741 6.401 1.00 0.00 C ATOM 428 O GLU A 27 100.080 -2.492 6.047 1.00 0.00 O ATOM 429 CB GLU A 27 102.273 -1.443 8.260 1.00 0.00 C ATOM 430 CG GLU A 27 103.210 -0.281 8.609 1.00 0.00 C ATOM 431 CD GLU A 27 102.905 0.230 10.015 1.00 0.00 C ATOM 432 OE1 GLU A 27 101.971 1.003 10.154 1.00 0.00 O ATOM 433 OE2 GLU A 27 103.610 -0.158 10.931 1.00 0.00 O ATOM 0 H GLU A 27 101.273 0.272 6.757 1.00 0.00 H new ATOM 0 HA GLU A 27 103.189 -1.852 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.278 -1.254 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.634 -2.364 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.248 -0.609 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.088 0.525 7.886 1.00 0.00 H new ATOM 440 N SER A 28 101.699 -3.980 6.507 1.00 0.00 N ATOM 441 CA SER A 28 100.855 -5.132 6.203 1.00 0.00 C ATOM 442 C SER A 28 99.746 -5.289 7.239 1.00 0.00 C ATOM 443 O SER A 28 98.779 -6.013 7.011 1.00 0.00 O ATOM 444 CB SER A 28 101.703 -6.406 6.164 1.00 0.00 C ATOM 445 OG SER A 28 102.171 -6.704 7.473 1.00 0.00 O ATOM 0 H SER A 28 102.649 -4.212 6.798 1.00 0.00 H new ATOM 0 HA SER A 28 100.397 -4.967 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 28 101.112 -7.237 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.546 -6.274 5.486 1.00 0.00 H new ATOM 0 HG SER A 28 102.712 -7.520 7.449 1.00 0.00 H new ATOM 451 N SER A 29 99.912 -4.637 8.387 1.00 0.00 N ATOM 452 CA SER A 29 98.940 -4.729 9.474 1.00 0.00 C ATOM 453 C SER A 29 98.302 -3.372 9.769 1.00 0.00 C ATOM 454 O SER A 29 97.508 -3.248 10.704 1.00 0.00 O ATOM 455 CB SER A 29 99.628 -5.249 10.738 1.00 0.00 C ATOM 456 OG SER A 29 100.644 -6.175 10.377 1.00 0.00 O ATOM 0 H SER A 29 100.712 -4.038 8.589 1.00 0.00 H new ATOM 0 HA SER A 29 98.154 -5.418 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.059 -4.419 11.298 1.00 0.00 H new ATOM 0 HB3 SER A 29 98.899 -5.729 11.391 1.00 0.00 H new ATOM 0 HG SER A 29 101.086 -6.507 11.186 1.00 0.00 H new ATOM 462 N ASP A 30 98.650 -2.359 8.976 1.00 0.00 N ATOM 463 CA ASP A 30 98.099 -1.017 9.172 1.00 0.00 C ATOM 464 C ASP A 30 96.574 -1.073 9.277 1.00 0.00 C ATOM 465 O ASP A 30 95.955 -2.063 8.890 1.00 0.00 O ATOM 466 CB ASP A 30 98.500 -0.111 8.000 1.00 0.00 C ATOM 467 CG ASP A 30 99.346 1.063 8.490 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.996 1.645 9.505 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.331 1.369 7.838 1.00 0.00 O ATOM 0 H ASP A 30 99.305 -2.440 8.198 1.00 0.00 H new ATOM 0 HA ASP A 30 98.501 -0.611 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.060 -0.687 7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.606 0.262 7.500 1.00 0.00 H new ATOM 474 N THR A 31 95.975 -0.002 9.790 1.00 0.00 N ATOM 475 CA THR A 31 94.520 0.054 9.927 1.00 0.00 C ATOM 476 C THR A 31 93.911 0.802 8.750 1.00 0.00 C ATOM 477 O THR A 31 94.600 1.556 8.062 1.00 0.00 O ATOM 478 CB THR A 31 94.131 0.752 11.235 1.00 0.00 C ATOM 479 OG1 THR A 31 94.428 2.139 11.139 1.00 0.00 O ATOM 480 CG2 THR A 31 94.911 0.141 12.401 1.00 0.00 C ATOM 0 H THR A 31 96.466 0.831 10.115 1.00 0.00 H new ATOM 0 HA THR A 31 94.137 -0.966 9.942 1.00 0.00 H new ATOM 0 HB THR A 31 93.063 0.619 11.409 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.178 2.586 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.631 0.641 13.328 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.679 -0.921 12.477 1.00 0.00 H new ATOM 0 HG23 THR A 31 95.980 0.267 12.230 1.00 0.00 H new ATOM 488 N ILE A 32 92.615 0.596 8.522 1.00 0.00 N ATOM 489 CA ILE A 32 91.929 1.267 7.422 1.00 0.00 C ATOM 490 C ILE A 32 92.175 2.772 7.495 1.00 0.00 C ATOM 491 O ILE A 32 92.437 3.415 6.480 1.00 0.00 O ATOM 492 CB ILE A 32 90.422 0.987 7.473 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.170 -0.497 7.782 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.788 1.339 6.124 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.013 -1.380 6.856 1.00 0.00 C ATOM 0 H ILE A 32 92.025 -0.023 9.078 1.00 0.00 H new ATOM 0 HA ILE A 32 92.325 0.880 6.483 1.00 0.00 H new ATOM 0 HB ILE A 32 89.976 1.597 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.419 -0.707 8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.113 -0.728 7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.717 1.139 6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.953 2.395 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.242 0.734 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.826 -2.429 7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.744 -1.181 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.070 -1.159 7.005 1.00 0.00 H new ATOM 507 N ASP A 33 92.091 3.325 8.705 1.00 0.00 N ATOM 508 CA ASP A 33 92.312 4.755 8.904 1.00 0.00 C ATOM 509 C ASP A 33 93.588 5.199 8.195 1.00 0.00 C ATOM 510 O ASP A 33 93.602 6.218 7.503 1.00 0.00 O ATOM 511 CB ASP A 33 92.417 5.064 10.400 1.00 0.00 C ATOM 512 CG ASP A 33 91.211 4.487 11.137 1.00 0.00 C ATOM 513 OD1 ASP A 33 91.250 3.314 11.470 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.265 5.226 11.356 1.00 0.00 O ATOM 0 H ASP A 33 91.873 2.807 9.556 1.00 0.00 H new ATOM 0 HA ASP A 33 91.467 5.300 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.337 4.641 10.804 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.467 6.142 10.555 1.00 0.00 H new ATOM 519 N ASN A 34 94.653 4.415 8.358 1.00 0.00 N ATOM 520 CA ASN A 34 95.926 4.725 7.715 1.00 0.00 C ATOM 521 C ASN A 34 95.768 4.655 6.199 1.00 0.00 C ATOM 522 O ASN A 34 96.317 5.478 5.469 1.00 0.00 O ATOM 523 CB ASN A 34 97.000 3.730 8.167 1.00 0.00 C ATOM 524 CG ASN A 34 98.352 4.112 7.569 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.828 3.427 6.564 1.00 0.00 O flip ATOM 526 ND2 ASN A 34 98.991 5.058 8.029 1.00 0.00 N flip ATOM 0 H ASN A 34 94.659 3.567 8.925 1.00 0.00 H new ATOM 0 HA ASN A 34 96.231 5.732 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 34 97.064 3.721 9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 34 96.727 2.722 7.855 1.00 0.00 H new ATOM 0 HD21 ASN A 34 98.618 5.592 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.894 5.308 7.625 1.00 0.00 H new ATOM 533 N VAL A 35 94.996 3.673 5.744 1.00 0.00 N ATOM 534 CA VAL A 35 94.748 3.502 4.315 1.00 0.00 C ATOM 535 C VAL A 35 94.034 4.735 3.765 1.00 0.00 C ATOM 536 O VAL A 35 94.434 5.294 2.741 1.00 0.00 O ATOM 537 CB VAL A 35 93.896 2.252 4.066 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.698 2.051 2.560 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.604 1.026 4.651 1.00 0.00 C ATOM 0 H VAL A 35 94.533 2.986 6.340 1.00 0.00 H new ATOM 0 HA VAL A 35 95.703 3.380 3.805 1.00 0.00 H new ATOM 0 HB VAL A 35 92.925 2.379 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.092 1.161 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.193 2.921 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.668 1.927 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 35 93.998 0.137 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.576 0.904 4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.742 1.163 5.723 1.00 0.00 H new ATOM 549 N LYS A 36 92.982 5.159 4.464 1.00 0.00 N ATOM 550 CA LYS A 36 92.222 6.334 4.052 1.00 0.00 C ATOM 551 C LYS A 36 93.121 7.566 4.054 1.00 0.00 C ATOM 552 O LYS A 36 93.295 8.218 3.026 1.00 0.00 O ATOM 553 CB LYS A 36 91.041 6.552 5.000 1.00 0.00 C ATOM 554 CG LYS A 36 90.055 5.387 4.872 1.00 0.00 C ATOM 555 CD LYS A 36 88.793 5.690 5.687 1.00 0.00 C ATOM 556 CE LYS A 36 88.314 4.418 6.391 1.00 0.00 C ATOM 557 NZ LYS A 36 89.268 4.067 7.481 1.00 0.00 N ATOM 0 H LYS A 36 92.640 4.709 5.313 1.00 0.00 H new ATOM 0 HA LYS A 36 91.844 6.172 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.396 6.629 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.541 7.492 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.795 5.231 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.517 4.466 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 36 89.001 6.467 6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.009 6.072 5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 36 87.316 4.570 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 36 88.243 3.598 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 89.120 3.078 7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 90.243 4.187 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 89.107 4.691 8.297 1.00 0.00 H new ATOM 571 N SER A 37 93.687 7.882 5.218 1.00 0.00 N ATOM 572 CA SER A 37 94.570 9.040 5.339 1.00 0.00 C ATOM 573 C SER A 37 95.589 9.048 4.201 1.00 0.00 C ATOM 574 O SER A 37 95.800 10.072 3.553 1.00 0.00 O ATOM 575 CB SER A 37 95.295 9.012 6.686 1.00 0.00 C ATOM 576 OG SER A 37 96.127 7.861 6.751 1.00 0.00 O ATOM 0 H SER A 37 93.552 7.358 6.083 1.00 0.00 H new ATOM 0 HA SER A 37 93.967 9.946 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.894 9.914 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.571 8.997 7.501 1.00 0.00 H new ATOM 0 HG SER A 37 96.593 7.843 7.613 1.00 0.00 H new ATOM 582 N LYS A 38 96.208 7.895 3.961 1.00 0.00 N ATOM 583 CA LYS A 38 97.195 7.774 2.890 1.00 0.00 C ATOM 584 C LYS A 38 96.610 8.291 1.578 1.00 0.00 C ATOM 585 O LYS A 38 97.299 8.933 0.790 1.00 0.00 O ATOM 586 CB LYS A 38 97.625 6.312 2.726 1.00 0.00 C ATOM 587 CG LYS A 38 99.086 6.152 3.160 1.00 0.00 C ATOM 588 CD LYS A 38 99.195 6.336 4.677 1.00 0.00 C ATOM 589 CE LYS A 38 100.659 6.220 5.108 1.00 0.00 C ATOM 590 NZ LYS A 38 101.479 7.216 4.360 1.00 0.00 N ATOM 0 H LYS A 38 96.046 7.037 4.488 1.00 0.00 H new ATOM 0 HA LYS A 38 98.068 8.372 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.984 5.665 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.508 6.003 1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.454 5.166 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.710 6.885 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 38 98.798 7.309 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 38 98.595 5.583 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 38 100.748 6.392 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.027 5.212 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.357 7.407 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 101.713 6.838 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 100.940 8.099 4.254 1.00 0.00 H new ATOM 604 N ILE A 39 95.328 8.009 1.362 1.00 0.00 N ATOM 605 CA ILE A 39 94.646 8.454 0.150 1.00 0.00 C ATOM 606 C ILE A 39 94.577 9.984 0.103 1.00 0.00 C ATOM 607 O ILE A 39 94.815 10.584 -0.942 1.00 0.00 O ATOM 608 CB ILE A 39 93.229 7.844 0.102 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.148 6.808 -1.029 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.174 8.934 -0.129 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.354 7.488 -2.385 1.00 0.00 C ATOM 0 H ILE A 39 94.743 7.477 2.007 1.00 0.00 H new ATOM 0 HA ILE A 39 95.208 8.116 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 39 93.030 7.362 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.905 6.038 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.179 6.310 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.183 8.481 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.217 9.660 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.372 9.437 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.294 6.743 -3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.581 8.241 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.334 7.965 -2.408 1.00 0.00 H new ATOM 623 N GLN A 40 94.236 10.605 1.234 1.00 0.00 N ATOM 624 CA GLN A 40 94.123 12.066 1.295 1.00 0.00 C ATOM 625 C GLN A 40 95.452 12.741 0.969 1.00 0.00 C ATOM 626 O GLN A 40 95.477 13.845 0.435 1.00 0.00 O ATOM 627 CB GLN A 40 93.632 12.507 2.683 1.00 0.00 C ATOM 628 CG GLN A 40 94.810 12.955 3.559 1.00 0.00 C ATOM 629 CD GLN A 40 94.369 13.060 5.016 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.591 13.946 5.369 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.824 12.202 5.888 1.00 0.00 N ATOM 0 H GLN A 40 94.035 10.126 2.112 1.00 0.00 H new ATOM 0 HA GLN A 40 93.395 12.375 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.919 13.324 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 40 93.106 11.684 3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.631 12.244 3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.184 13.919 3.214 1.00 0.00 H new ATOM 0 HE21 GLN A 40 95.469 11.469 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.535 12.265 6.864 1.00 0.00 H new ATOM 640 N ASP A 41 96.556 12.077 1.278 1.00 0.00 N ATOM 641 CA ASP A 41 97.864 12.646 0.982 1.00 0.00 C ATOM 642 C ASP A 41 98.128 12.537 -0.515 1.00 0.00 C ATOM 643 O ASP A 41 98.901 13.308 -1.087 1.00 0.00 O ATOM 644 CB ASP A 41 98.952 11.901 1.761 1.00 0.00 C ATOM 645 CG ASP A 41 100.326 12.475 1.424 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.606 13.581 1.856 1.00 0.00 O ATOM 647 OD2 ASP A 41 101.076 11.801 0.738 1.00 0.00 O ATOM 0 H ASP A 41 96.575 11.161 1.725 1.00 0.00 H new ATOM 0 HA ASP A 41 97.880 13.694 1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.766 11.986 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.923 10.839 1.516 1.00 0.00 H new ATOM 652 N LYS A 42 97.483 11.550 -1.127 1.00 0.00 N ATOM 653 CA LYS A 42 97.639 11.290 -2.552 1.00 0.00 C ATOM 654 C LYS A 42 96.584 12.025 -3.387 1.00 0.00 C ATOM 655 O LYS A 42 96.892 12.525 -4.471 1.00 0.00 O ATOM 656 CB LYS A 42 97.530 9.782 -2.805 1.00 0.00 C ATOM 657 CG LYS A 42 98.863 9.078 -2.497 1.00 0.00 C ATOM 658 CD LYS A 42 99.533 9.697 -1.261 1.00 0.00 C ATOM 659 CE LYS A 42 100.580 8.728 -0.702 1.00 0.00 C ATOM 660 NZ LYS A 42 100.557 8.777 0.789 1.00 0.00 N ATOM 0 H LYS A 42 96.843 10.913 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 42 98.619 11.659 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.739 9.361 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.250 9.602 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.688 8.016 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 42 99.529 9.158 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 42 100.004 10.643 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 42 98.784 9.916 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.374 7.715 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 42 101.571 8.994 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 101.291 8.145 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 100.740 9.750 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 99.624 8.470 1.132 1.00 0.00 H new ATOM 674 N GLU A 43 95.338 12.063 -2.904 1.00 0.00 N ATOM 675 CA GLU A 43 94.255 12.712 -3.652 1.00 0.00 C ATOM 676 C GLU A 43 93.580 13.829 -2.850 1.00 0.00 C ATOM 677 O GLU A 43 92.575 14.389 -3.291 1.00 0.00 O ATOM 678 CB GLU A 43 93.203 11.665 -4.035 1.00 0.00 C ATOM 679 CG GLU A 43 93.637 10.935 -5.310 1.00 0.00 C ATOM 680 CD GLU A 43 94.849 10.049 -5.031 1.00 0.00 C ATOM 681 OE1 GLU A 43 94.835 9.356 -4.029 1.00 0.00 O ATOM 682 OE2 GLU A 43 95.774 10.077 -5.827 1.00 0.00 O ATOM 0 H GLU A 43 95.056 11.658 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 43 94.697 13.162 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 43 93.075 10.951 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.238 12.146 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 43 92.814 10.328 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.880 11.660 -6.087 1.00 0.00 H new ATOM 689 N GLY A 44 94.135 14.167 -1.689 1.00 0.00 N ATOM 690 CA GLY A 44 93.566 15.237 -0.862 1.00 0.00 C ATOM 691 C GLY A 44 92.275 14.801 -0.165 1.00 0.00 C ATOM 692 O GLY A 44 92.042 15.150 0.993 1.00 0.00 O ATOM 0 H GLY A 44 94.968 13.724 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.296 15.543 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.365 16.108 -1.485 1.00 0.00 H new ATOM 696 N ILE A 45 91.433 14.061 -0.888 1.00 0.00 N ATOM 697 CA ILE A 45 90.148 13.598 -0.354 1.00 0.00 C ATOM 698 C ILE A 45 90.247 13.206 1.123 1.00 0.00 C ATOM 699 O ILE A 45 91.057 12.358 1.494 1.00 0.00 O ATOM 700 CB ILE A 45 89.649 12.400 -1.170 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.379 12.846 -2.613 1.00 0.00 C ATOM 702 CG2 ILE A 45 88.355 11.857 -0.550 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.722 11.707 -3.396 1.00 0.00 C ATOM 0 H ILE A 45 91.617 13.768 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 45 89.443 14.425 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 45 90.406 11.616 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 45 88.731 13.723 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 45 90.313 13.138 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 45 88.002 11.005 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 45 88.547 11.541 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.595 12.638 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.533 12.031 -4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 45 89.385 10.842 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.779 11.436 -2.921 1.00 0.00 H new ATOM 715 N PRO A 46 89.424 13.801 1.962 1.00 0.00 N ATOM 716 CA PRO A 46 89.406 13.500 3.421 1.00 0.00 C ATOM 717 C PRO A 46 89.212 12.003 3.683 1.00 0.00 C ATOM 718 O PRO A 46 88.338 11.374 3.088 1.00 0.00 O ATOM 719 CB PRO A 46 88.222 14.298 3.985 1.00 0.00 C ATOM 720 CG PRO A 46 87.585 15.032 2.844 1.00 0.00 C ATOM 721 CD PRO A 46 88.439 14.827 1.593 1.00 0.00 C ATOM 0 HA PRO A 46 90.351 13.772 3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.503 13.631 4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.561 14.998 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.573 14.664 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.503 16.094 3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.830 14.503 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.929 15.754 1.295 1.00 0.00 H new ATOM 729 N PRO A 47 90.015 11.428 4.548 1.00 0.00 N ATOM 730 CA PRO A 47 89.941 9.976 4.879 1.00 0.00 C ATOM 731 C PRO A 47 88.517 9.517 5.197 1.00 0.00 C ATOM 732 O PRO A 47 88.079 8.462 4.739 1.00 0.00 O ATOM 733 CB PRO A 47 90.843 9.804 6.107 1.00 0.00 C ATOM 734 CG PRO A 47 91.393 11.153 6.452 1.00 0.00 C ATOM 735 CD PRO A 47 91.077 12.104 5.299 1.00 0.00 C ATOM 0 HA PRO A 47 90.257 9.370 4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 47 90.277 9.395 6.944 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.650 9.103 5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.951 11.519 7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.469 11.095 6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.747 13.076 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.954 12.279 4.676 1.00 0.00 H new ATOM 743 N ASP A 48 87.806 10.318 5.988 1.00 0.00 N ATOM 744 CA ASP A 48 86.433 9.991 6.374 1.00 0.00 C ATOM 745 C ASP A 48 85.515 9.959 5.155 1.00 0.00 C ATOM 746 O ASP A 48 84.512 9.245 5.138 1.00 0.00 O ATOM 747 CB ASP A 48 85.918 11.031 7.373 1.00 0.00 C ATOM 748 CG ASP A 48 86.089 12.436 6.798 1.00 0.00 C ATOM 749 OD1 ASP A 48 87.143 13.017 7.006 1.00 0.00 O ATOM 750 OD2 ASP A 48 85.167 12.908 6.154 1.00 0.00 O ATOM 0 H ASP A 48 88.155 11.195 6.374 1.00 0.00 H new ATOM 0 HA ASP A 48 86.432 9.003 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.867 10.845 7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 48 86.462 10.945 8.313 1.00 0.00 H new ATOM 755 N GLN A 49 85.868 10.743 4.142 1.00 0.00 N ATOM 756 CA GLN A 49 85.074 10.810 2.918 1.00 0.00 C ATOM 757 C GLN A 49 85.177 9.508 2.124 1.00 0.00 C ATOM 758 O GLN A 49 84.416 9.289 1.181 1.00 0.00 O ATOM 759 CB GLN A 49 85.558 11.978 2.052 1.00 0.00 C ATOM 760 CG GLN A 49 84.429 12.442 1.127 1.00 0.00 C ATOM 761 CD GLN A 49 84.910 13.597 0.254 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.964 14.740 0.710 1.00 0.00 O ATOM 763 NE2 GLN A 49 85.262 13.366 -0.981 1.00 0.00 N ATOM 0 H GLN A 49 86.695 11.339 4.143 1.00 0.00 H new ATOM 0 HA GLN A 49 84.031 10.963 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.883 12.803 2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.421 11.671 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.099 11.614 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.569 12.756 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 49 85.216 12.418 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 49 85.583 14.133 -1.572 1.00 0.00 H new ATOM 772 N GLN A 50 86.126 8.652 2.501 1.00 0.00 N ATOM 773 CA GLN A 50 86.320 7.385 1.800 1.00 0.00 C ATOM 774 C GLN A 50 85.924 6.196 2.670 1.00 0.00 C ATOM 775 O GLN A 50 85.919 6.279 3.899 1.00 0.00 O ATOM 776 CB GLN A 50 87.786 7.220 1.392 1.00 0.00 C ATOM 777 CG GLN A 50 88.352 8.548 0.873 1.00 0.00 C ATOM 778 CD GLN A 50 89.665 8.872 1.581 1.00 0.00 C ATOM 779 OE1 GLN A 50 90.019 10.039 1.724 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.417 7.903 2.027 1.00 0.00 N ATOM 0 H GLN A 50 86.766 8.811 3.279 1.00 0.00 H new ATOM 0 HA GLN A 50 85.682 7.407 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.371 6.878 2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.871 6.455 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.516 8.487 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.632 9.349 1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.123 6.933 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.299 8.115 2.494 1.00 0.00 H new ATOM 789 N ARG A 51 85.619 5.082 2.006 1.00 0.00 N ATOM 790 CA ARG A 51 85.246 3.845 2.688 1.00 0.00 C ATOM 791 C ARG A 51 86.027 2.688 2.068 1.00 0.00 C ATOM 792 O ARG A 51 86.550 2.819 0.961 1.00 0.00 O ATOM 793 CB ARG A 51 83.737 3.579 2.556 1.00 0.00 C ATOM 794 CG ARG A 51 82.962 4.904 2.500 1.00 0.00 C ATOM 795 CD ARG A 51 82.956 5.563 3.883 1.00 0.00 C ATOM 796 NE ARG A 51 81.586 5.761 4.344 1.00 0.00 N ATOM 797 CZ ARG A 51 80.990 6.945 4.241 1.00 0.00 C ATOM 798 NH1 ARG A 51 81.162 7.845 5.170 1.00 0.00 N ATOM 799 NH2 ARG A 51 80.234 7.208 3.211 1.00 0.00 N ATOM 0 H ARG A 51 85.623 5.012 0.988 1.00 0.00 H new ATOM 0 HA ARG A 51 85.483 3.938 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.541 2.998 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.391 2.984 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.420 5.573 1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 51 81.939 4.724 2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 51 83.499 4.939 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 51 83.474 6.521 3.839 1.00 0.00 H new ATOM 0 HE ARG A 51 81.077 4.977 4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 51 81.754 7.640 5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 51 80.705 8.753 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 51 80.100 6.505 2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 51 79.777 8.117 3.133 1.00 0.00 H new ATOM 813 N LEU A 52 86.113 1.563 2.773 1.00 0.00 N ATOM 814 CA LEU A 52 86.848 0.410 2.256 1.00 0.00 C ATOM 815 C LEU A 52 85.939 -0.814 2.162 1.00 0.00 C ATOM 816 O LEU A 52 85.526 -1.367 3.178 1.00 0.00 O ATOM 817 CB LEU A 52 88.038 0.093 3.175 1.00 0.00 C ATOM 818 CG LEU A 52 89.364 0.361 2.448 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.511 -0.588 1.253 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.404 1.814 1.959 1.00 0.00 C ATOM 0 H LEU A 52 85.690 1.425 3.691 1.00 0.00 H new ATOM 0 HA LEU A 52 87.211 0.655 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.981 0.702 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 52 87.994 -0.949 3.491 1.00 0.00 H new ATOM 0 HG LEU A 52 90.187 0.190 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.455 -0.389 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.498 -1.620 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.685 -0.430 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.347 1.999 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.575 1.990 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.318 2.487 2.812 1.00 0.00 H new ATOM 832 N ILE A 53 85.639 -1.231 0.933 1.00 0.00 N ATOM 833 CA ILE A 53 84.788 -2.396 0.707 1.00 0.00 C ATOM 834 C ILE A 53 85.618 -3.518 0.087 1.00 0.00 C ATOM 835 O ILE A 53 86.215 -3.338 -0.974 1.00 0.00 O ATOM 836 CB ILE A 53 83.627 -2.024 -0.231 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.531 -1.290 0.557 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.031 -3.292 -0.854 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.068 0.042 1.089 1.00 0.00 C ATOM 0 H ILE A 53 85.972 -0.780 0.081 1.00 0.00 H new ATOM 0 HA ILE A 53 84.377 -2.733 1.659 1.00 0.00 H new ATOM 0 HB ILE A 53 84.009 -1.374 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.668 -1.113 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.190 -1.911 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.210 -3.020 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.800 -3.813 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.659 -3.945 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.283 0.554 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.917 -0.145 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.386 0.666 0.254 1.00 0.00 H new ATOM 851 N TRP A 54 85.667 -4.669 0.757 1.00 0.00 N ATOM 852 CA TRP A 54 86.444 -5.800 0.257 1.00 0.00 C ATOM 853 C TRP A 54 85.657 -7.105 0.400 1.00 0.00 C ATOM 854 O TRP A 54 85.038 -7.361 1.433 1.00 0.00 O ATOM 855 CB TRP A 54 87.765 -5.895 1.034 1.00 0.00 C ATOM 856 CG TRP A 54 88.344 -7.268 0.896 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.164 -7.671 -0.103 1.00 0.00 C ATOM 858 CD2 TRP A 54 88.161 -8.422 1.766 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.494 -9.000 0.100 1.00 0.00 N ATOM 860 CE2 TRP A 54 88.901 -9.506 1.238 1.00 0.00 C ATOM 861 CE3 TRP A 54 87.432 -8.629 2.951 1.00 0.00 C ATOM 862 CZ2 TRP A 54 88.914 -10.753 1.864 1.00 0.00 C ATOM 863 CZ3 TRP A 54 87.444 -9.883 3.582 1.00 0.00 C ATOM 864 CH2 TRP A 54 88.184 -10.942 3.040 1.00 0.00 C ATOM 0 H TRP A 54 85.183 -4.841 1.638 1.00 0.00 H new ATOM 0 HA TRP A 54 86.653 -5.643 -0.801 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.471 -5.154 0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.594 -5.668 2.086 1.00 0.00 H new ATOM 0 HD1 TRP A 54 89.505 -7.057 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 54 90.102 -9.539 -0.517 1.00 0.00 H new ATOM 0 HE3 TRP A 54 86.860 -7.819 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 89.485 -11.567 1.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 86.879 -10.032 4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 54 88.190 -11.904 3.531 1.00 0.00 H new ATOM 875 N ALA A 55 85.698 -7.924 -0.652 1.00 0.00 N ATOM 876 CA ALA A 55 85.000 -9.210 -0.662 1.00 0.00 C ATOM 877 C ALA A 55 83.511 -9.036 -0.364 1.00 0.00 C ATOM 878 O ALA A 55 82.974 -9.660 0.554 1.00 0.00 O ATOM 879 CB ALA A 55 85.628 -10.157 0.365 1.00 0.00 C ATOM 0 H ALA A 55 86.209 -7.718 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 55 85.100 -9.638 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.101 -11.111 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.677 -10.318 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.553 -9.717 1.359 1.00 0.00 H new ATOM 885 N GLY A 56 82.844 -8.202 -1.160 1.00 0.00 N ATOM 886 CA GLY A 56 81.411 -7.961 -0.998 1.00 0.00 C ATOM 887 C GLY A 56 81.052 -7.497 0.412 1.00 0.00 C ATOM 888 O GLY A 56 79.872 -7.361 0.739 1.00 0.00 O ATOM 0 H GLY A 56 83.274 -7.681 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.089 -7.209 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.864 -8.876 -1.226 1.00 0.00 H new ATOM 892 N LYS A 57 82.061 -7.266 1.249 1.00 0.00 N ATOM 893 CA LYS A 57 81.815 -6.829 2.620 1.00 0.00 C ATOM 894 C LYS A 57 82.491 -5.489 2.894 1.00 0.00 C ATOM 895 O LYS A 57 83.649 -5.281 2.533 1.00 0.00 O ATOM 896 CB LYS A 57 82.342 -7.879 3.602 1.00 0.00 C ATOM 897 CG LYS A 57 81.928 -7.503 5.028 1.00 0.00 C ATOM 898 CD LYS A 57 82.479 -8.535 6.015 1.00 0.00 C ATOM 899 CE LYS A 57 81.708 -8.448 7.335 1.00 0.00 C ATOM 900 NZ LYS A 57 81.769 -7.053 7.859 1.00 0.00 N ATOM 0 H LYS A 57 83.046 -7.373 1.005 1.00 0.00 H new ATOM 0 HA LYS A 57 80.740 -6.709 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.947 -8.862 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.428 -7.944 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.305 -6.511 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.841 -7.459 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 57 82.390 -9.537 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 57 83.540 -8.356 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.670 -8.745 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.133 -9.139 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.475 -7.044 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 82.742 -6.695 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.132 -6.446 7.305 1.00 0.00 H new ATOM 914 N GLN A 58 81.759 -4.590 3.547 1.00 0.00 N ATOM 915 CA GLN A 58 82.296 -3.276 3.881 1.00 0.00 C ATOM 916 C GLN A 58 83.218 -3.380 5.091 1.00 0.00 C ATOM 917 O GLN A 58 82.837 -3.919 6.131 1.00 0.00 O ATOM 918 CB GLN A 58 81.156 -2.291 4.174 1.00 0.00 C ATOM 919 CG GLN A 58 80.083 -2.967 5.033 1.00 0.00 C ATOM 920 CD GLN A 58 79.180 -1.912 5.664 1.00 0.00 C ATOM 921 OE1 GLN A 58 79.340 -1.579 6.838 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.237 -1.363 4.950 1.00 0.00 N ATOM 0 H GLN A 58 80.799 -4.747 3.853 1.00 0.00 H new ATOM 0 HA GLN A 58 82.867 -2.907 3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.547 -1.414 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.718 -1.942 3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.490 -3.646 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.554 -3.568 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.107 -1.641 3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.630 -0.656 5.364 1.00 0.00 H new ATOM 931 N LEU A 59 84.435 -2.869 4.943 1.00 0.00 N ATOM 932 CA LEU A 59 85.414 -2.916 6.027 1.00 0.00 C ATOM 933 C LEU A 59 85.199 -1.761 6.998 1.00 0.00 C ATOM 934 O LEU A 59 84.799 -0.666 6.599 1.00 0.00 O ATOM 935 CB LEU A 59 86.837 -2.848 5.462 1.00 0.00 C ATOM 936 CG LEU A 59 87.006 -3.877 4.336 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.396 -3.726 3.708 1.00 0.00 C ATOM 938 CD2 LEU A 59 86.851 -5.295 4.903 1.00 0.00 C ATOM 0 H LEU A 59 84.768 -2.420 4.090 1.00 0.00 H new ATOM 0 HA LEU A 59 85.281 -3.857 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.039 -1.846 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.561 -3.041 6.254 1.00 0.00 H new ATOM 0 HG LEU A 59 86.243 -3.707 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.515 -4.457 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.504 -2.721 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.159 -3.892 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 59 86.972 -6.023 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 59 87.610 -5.467 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 59 85.861 -5.404 5.346 1.00 0.00 H new ATOM 950 N GLU A 60 85.475 -2.015 8.276 1.00 0.00 N ATOM 951 CA GLU A 60 85.317 -0.995 9.309 1.00 0.00 C ATOM 952 C GLU A 60 86.669 -0.389 9.671 1.00 0.00 C ATOM 953 O GLU A 60 87.697 -1.063 9.610 1.00 0.00 O ATOM 954 CB GLU A 60 84.687 -1.612 10.562 1.00 0.00 C ATOM 955 CG GLU A 60 83.268 -2.093 10.243 1.00 0.00 C ATOM 956 CD GLU A 60 82.553 -2.497 11.529 1.00 0.00 C ATOM 957 OE1 GLU A 60 81.974 -1.627 12.160 1.00 0.00 O ATOM 958 OE2 GLU A 60 82.596 -3.668 11.865 1.00 0.00 O ATOM 0 H GLU A 60 85.808 -2.916 8.619 1.00 0.00 H new ATOM 0 HA GLU A 60 84.667 -0.211 8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.294 -2.447 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.660 -0.877 11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 60 82.711 -1.302 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.308 -2.940 9.558 1.00 0.00 H new ATOM 965 N ASP A 61 86.658 0.890 10.040 1.00 0.00 N ATOM 966 CA ASP A 61 87.888 1.591 10.408 1.00 0.00 C ATOM 967 C ASP A 61 88.693 0.792 11.434 1.00 0.00 C ATOM 968 O ASP A 61 89.921 0.874 11.470 1.00 0.00 O ATOM 969 CB ASP A 61 87.546 2.966 10.990 1.00 0.00 C ATOM 970 CG ASP A 61 87.204 3.944 9.867 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.241 3.695 9.162 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.910 4.928 9.731 1.00 0.00 O ATOM 0 H ASP A 61 85.815 1.461 10.092 1.00 0.00 H new ATOM 0 HA ASP A 61 88.493 1.708 9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.703 2.879 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 61 88.389 3.345 11.568 1.00 0.00 H new ATOM 977 N GLY A 62 87.991 0.029 12.271 1.00 0.00 N ATOM 978 CA GLY A 62 88.644 -0.773 13.303 1.00 0.00 C ATOM 979 C GLY A 62 89.351 -1.995 12.714 1.00 0.00 C ATOM 980 O GLY A 62 90.042 -2.721 13.431 1.00 0.00 O ATOM 0 H GLY A 62 86.974 -0.050 12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.368 -0.157 13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 62 87.903 -1.099 14.033 1.00 0.00 H new ATOM 984 N ARG A 63 89.179 -2.219 11.413 1.00 0.00 N ATOM 985 CA ARG A 63 89.810 -3.361 10.753 1.00 0.00 C ATOM 986 C ARG A 63 91.279 -3.070 10.457 1.00 0.00 C ATOM 987 O ARG A 63 91.682 -1.911 10.342 1.00 0.00 O ATOM 988 CB ARG A 63 89.077 -3.691 9.447 1.00 0.00 C ATOM 989 CG ARG A 63 89.233 -5.184 9.130 1.00 0.00 C ATOM 990 CD ARG A 63 89.233 -5.399 7.612 1.00 0.00 C ATOM 991 NE ARG A 63 90.531 -5.901 7.174 1.00 0.00 N ATOM 992 CZ ARG A 63 90.822 -6.021 5.882 1.00 0.00 C ATOM 993 NH1 ARG A 63 91.175 -4.970 5.192 1.00 0.00 N ATOM 994 NH2 ARG A 63 90.759 -7.189 5.305 1.00 0.00 N ATOM 0 H ARG A 63 88.614 -1.632 10.800 1.00 0.00 H new ATOM 0 HA ARG A 63 89.750 -4.217 11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.021 -3.437 9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.481 -3.092 8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 63 90.162 -5.561 9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 63 88.419 -5.748 9.586 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.450 -6.106 7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 63 89.008 -4.461 7.105 1.00 0.00 H new ATOM 0 HE ARG A 63 91.227 -6.165 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 63 91.228 -4.057 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 63 91.398 -5.062 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 63 90.486 -8.010 5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 63 90.982 -7.281 4.314 1.00 0.00 H new ATOM 1008 N THR A 64 92.072 -4.133 10.337 1.00 0.00 N ATOM 1009 CA THR A 64 93.497 -3.993 10.055 1.00 0.00 C ATOM 1010 C THR A 64 93.833 -4.561 8.681 1.00 0.00 C ATOM 1011 O THR A 64 92.973 -5.116 7.998 1.00 0.00 O ATOM 1012 CB THR A 64 94.319 -4.727 11.123 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.777 -6.024 11.328 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.281 -3.940 12.435 1.00 0.00 C ATOM 0 H THR A 64 91.752 -5.097 10.430 1.00 0.00 H new ATOM 0 HA THR A 64 93.744 -2.931 10.069 1.00 0.00 H new ATOM 0 HB THR A 64 95.352 -4.814 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.302 -6.494 12.009 1.00 0.00 H new ATOM 0 HG21 THR A 64 94.866 -4.464 13.191 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.701 -2.947 12.276 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.249 -3.848 12.774 1.00 0.00 H new ATOM 1022 N LEU A 65 95.093 -4.419 8.291 1.00 0.00 N ATOM 1023 CA LEU A 65 95.556 -4.922 7.003 1.00 0.00 C ATOM 1024 C LEU A 65 95.934 -6.396 7.132 1.00 0.00 C ATOM 1025 O LEU A 65 95.662 -7.203 6.242 1.00 0.00 O ATOM 1026 CB LEU A 65 96.766 -4.094 6.536 1.00 0.00 C ATOM 1027 CG LEU A 65 96.291 -2.858 5.752 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.485 -2.189 5.069 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.266 -3.263 4.684 1.00 0.00 C ATOM 0 H LEU A 65 95.813 -3.960 8.848 1.00 0.00 H new ATOM 0 HA LEU A 65 94.760 -4.831 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.357 -3.783 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.414 -4.705 5.908 1.00 0.00 H new ATOM 0 HG LEU A 65 95.826 -2.163 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.144 -1.314 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.210 -1.881 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.953 -2.894 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.940 -2.378 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.723 -3.969 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.406 -3.731 5.164 1.00 0.00 H new ATOM 1041 N SER A 66 96.560 -6.729 8.255 1.00 0.00 N ATOM 1042 CA SER A 66 96.985 -8.099 8.529 1.00 0.00 C ATOM 1043 C SER A 66 95.781 -9.007 8.775 1.00 0.00 C ATOM 1044 O SER A 66 95.924 -10.229 8.840 1.00 0.00 O ATOM 1045 CB SER A 66 97.903 -8.124 9.753 1.00 0.00 C ATOM 1046 OG SER A 66 98.290 -9.465 10.027 1.00 0.00 O ATOM 0 H SER A 66 96.786 -6.065 8.996 1.00 0.00 H new ATOM 0 HA SER A 66 97.525 -8.468 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.785 -7.509 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.389 -7.699 10.615 1.00 0.00 H new ATOM 0 HG SER A 66 97.683 -10.081 9.566 1.00 0.00 H new ATOM 1052 N ASP A 67 94.599 -8.405 8.906 1.00 0.00 N ATOM 1053 CA ASP A 67 93.381 -9.178 9.138 1.00 0.00 C ATOM 1054 C ASP A 67 93.283 -10.308 8.117 1.00 0.00 C ATOM 1055 O ASP A 67 93.292 -11.486 8.475 1.00 0.00 O ATOM 1056 CB ASP A 67 92.151 -8.268 9.026 1.00 0.00 C ATOM 1057 CG ASP A 67 91.366 -8.279 10.337 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.808 -9.313 10.661 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.335 -7.251 10.994 1.00 0.00 O ATOM 0 H ASP A 67 94.460 -7.396 8.856 1.00 0.00 H new ATOM 0 HA ASP A 67 93.417 -9.603 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.462 -7.251 8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 67 91.513 -8.605 8.209 1.00 0.00 H new ATOM 1064 N TYR A 68 93.203 -9.932 6.845 1.00 0.00 N ATOM 1065 CA TYR A 68 93.118 -10.912 5.767 1.00 0.00 C ATOM 1066 C TYR A 68 94.510 -11.231 5.227 1.00 0.00 C ATOM 1067 O TYR A 68 94.653 -12.005 4.279 1.00 0.00 O ATOM 1068 CB TYR A 68 92.231 -10.378 4.638 1.00 0.00 C ATOM 1069 CG TYR A 68 91.778 -11.528 3.768 1.00 0.00 C ATOM 1070 CD1 TYR A 68 90.846 -12.452 4.258 1.00 0.00 C ATOM 1071 CD2 TYR A 68 92.290 -11.673 2.472 1.00 0.00 C ATOM 1072 CE1 TYR A 68 90.428 -13.519 3.454 1.00 0.00 C ATOM 1073 CE2 TYR A 68 91.870 -12.740 1.667 1.00 0.00 C ATOM 1074 CZ TYR A 68 90.939 -13.662 2.160 1.00 0.00 C ATOM 1075 OH TYR A 68 90.526 -14.715 1.368 1.00 0.00 O ATOM 0 H TYR A 68 93.195 -8.960 6.536 1.00 0.00 H new ATOM 0 HA TYR A 68 92.677 -11.827 6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.367 -9.860 5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.782 -9.651 4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.450 -12.341 5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 68 93.009 -10.962 2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 68 89.711 -14.232 3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 68 92.264 -12.851 0.668 1.00 0.00 H new ATOM 0 HH TYR A 68 90.976 -14.667 0.499 1.00 0.00 H new ATOM 1085 N ASN A 69 95.530 -10.621 5.836 1.00 0.00 N ATOM 1086 CA ASN A 69 96.917 -10.829 5.417 1.00 0.00 C ATOM 1087 C ASN A 69 97.219 -10.012 4.162 1.00 0.00 C ATOM 1088 O ASN A 69 97.713 -10.537 3.163 1.00 0.00 O ATOM 1089 CB ASN A 69 97.184 -12.317 5.158 1.00 0.00 C ATOM 1090 CG ASN A 69 98.671 -12.616 5.328 1.00 0.00 C ATOM 1091 OD1 ASN A 69 99.460 -12.395 4.410 1.00 0.00 O ATOM 1092 ND2 ASN A 69 99.102 -13.110 6.457 1.00 0.00 N ATOM 0 H ASN A 69 95.421 -9.979 6.621 1.00 0.00 H new ATOM 0 HA ASN A 69 97.574 -10.495 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.601 -12.926 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 69 96.864 -12.583 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.094 -13.313 6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.447 -13.293 7.217 1.00 0.00 H new ATOM 1099 N ILE A 70 96.914 -8.719 4.231 1.00 0.00 N ATOM 1100 CA ILE A 70 97.148 -7.818 3.108 1.00 0.00 C ATOM 1101 C ILE A 70 98.600 -7.347 3.094 1.00 0.00 C ATOM 1102 O ILE A 70 99.084 -6.766 4.067 1.00 0.00 O ATOM 1103 CB ILE A 70 96.203 -6.614 3.206 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.784 -7.052 2.816 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.674 -5.499 2.265 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.758 -6.118 3.465 1.00 0.00 C ATOM 0 H ILE A 70 96.505 -8.273 5.052 1.00 0.00 H new ATOM 0 HA ILE A 70 96.951 -8.354 2.179 1.00 0.00 H new ATOM 0 HB ILE A 70 96.204 -6.237 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.672 -7.033 1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.609 -8.079 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.997 -4.648 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.681 -5.188 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.680 -5.867 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.752 -6.432 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.863 -6.159 4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.927 -5.097 3.122 1.00 0.00 H new ATOM 1118 N GLN A 71 99.285 -7.603 1.982 1.00 0.00 N ATOM 1119 CA GLN A 71 100.683 -7.208 1.836 1.00 0.00 C ATOM 1120 C GLN A 71 100.797 -5.962 0.956 1.00 0.00 C ATOM 1121 O GLN A 71 100.153 -4.948 1.226 1.00 0.00 O ATOM 1122 CB GLN A 71 101.487 -8.362 1.224 1.00 0.00 C ATOM 1123 CG GLN A 71 101.316 -9.622 2.081 1.00 0.00 C ATOM 1124 CD GLN A 71 100.292 -10.558 1.444 1.00 0.00 C ATOM 1125 OE1 GLN A 71 99.279 -10.105 0.911 1.00 0.00 O ATOM 1126 NE2 GLN A 71 100.496 -11.846 1.470 1.00 0.00 N ATOM 0 H GLN A 71 98.895 -8.082 1.170 1.00 0.00 H new ATOM 0 HA GLN A 71 101.087 -6.973 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 71 101.148 -8.554 0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 71 102.541 -8.092 1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 71 102.273 -10.134 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.993 -9.347 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 71 101.336 -12.221 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 71 99.816 -12.479 1.048 1.00 0.00 H new ATOM 1135 N ARG A 72 101.614 -6.044 -0.095 1.00 0.00 N ATOM 1136 CA ARG A 72 101.796 -4.916 -1.008 1.00 0.00 C ATOM 1137 C ARG A 72 100.998 -5.126 -2.292 1.00 0.00 C ATOM 1138 O ARG A 72 100.387 -4.193 -2.815 1.00 0.00 O ATOM 1139 CB ARG A 72 103.282 -4.738 -1.349 1.00 0.00 C ATOM 1140 CG ARG A 72 103.975 -6.104 -1.404 1.00 0.00 C ATOM 1141 CD ARG A 72 105.347 -5.957 -2.064 1.00 0.00 C ATOM 1142 NE ARG A 72 106.063 -7.228 -2.026 1.00 0.00 N ATOM 1143 CZ ARG A 72 107.127 -7.396 -1.246 1.00 0.00 C ATOM 1144 NH1 ARG A 72 107.008 -7.303 0.050 1.00 0.00 N ATOM 1145 NH2 ARG A 72 108.290 -7.657 -1.778 1.00 0.00 N ATOM 0 H ARG A 72 102.157 -6.874 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 72 101.432 -4.017 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.385 -4.230 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.762 -4.107 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.086 -6.508 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.364 -6.811 -1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.229 -5.629 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.926 -5.190 -1.550 1.00 0.00 H new ATOM 0 HE ARG A 72 105.742 -8.001 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.099 -7.101 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.824 -7.432 0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 72 108.382 -7.732 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 72 109.107 -7.786 -1.181 1.00 0.00 H new ATOM 1159 N GLU A 73 101.015 -6.357 -2.800 1.00 0.00 N ATOM 1160 CA GLU A 73 100.297 -6.683 -4.032 1.00 0.00 C ATOM 1161 C GLU A 73 98.820 -6.955 -3.749 1.00 0.00 C ATOM 1162 O GLU A 73 98.208 -7.820 -4.377 1.00 0.00 O ATOM 1163 CB GLU A 73 100.932 -7.911 -4.694 1.00 0.00 C ATOM 1164 CG GLU A 73 102.417 -7.645 -4.956 1.00 0.00 C ATOM 1165 CD GLU A 73 103.013 -8.784 -5.779 1.00 0.00 C ATOM 1166 OE1 GLU A 73 102.944 -8.710 -6.995 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.530 -9.714 -5.180 1.00 0.00 O ATOM 0 H GLU A 73 101.515 -7.141 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 73 100.366 -5.828 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.817 -8.783 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.422 -8.136 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.538 -6.700 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.951 -7.551 -4.010 1.00 0.00 H new ATOM 1174 N SER A 74 98.255 -6.207 -2.804 1.00 0.00 N ATOM 1175 CA SER A 74 96.850 -6.367 -2.445 1.00 0.00 C ATOM 1176 C SER A 74 95.991 -5.359 -3.201 1.00 0.00 C ATOM 1177 O SER A 74 96.240 -4.155 -3.139 1.00 0.00 O ATOM 1178 CB SER A 74 96.672 -6.163 -0.941 1.00 0.00 C ATOM 1179 OG SER A 74 97.119 -4.859 -0.591 1.00 0.00 O ATOM 0 H SER A 74 98.747 -5.487 -2.275 1.00 0.00 H new ATOM 0 HA SER A 74 96.534 -7.375 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.625 -6.288 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 74 97.238 -6.915 -0.390 1.00 0.00 H new ATOM 0 HG SER A 74 97.092 -4.281 -1.382 1.00 0.00 H new ATOM 1185 N THR A 75 94.973 -5.855 -3.901 1.00 0.00 N ATOM 1186 CA THR A 75 94.081 -4.980 -4.654 1.00 0.00 C ATOM 1187 C THR A 75 92.933 -4.507 -3.768 1.00 0.00 C ATOM 1188 O THR A 75 91.914 -5.186 -3.634 1.00 0.00 O ATOM 1189 CB THR A 75 93.525 -5.713 -5.881 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.598 -6.291 -6.613 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.770 -4.722 -6.774 1.00 0.00 C ATOM 0 H THR A 75 94.748 -6.848 -3.962 1.00 0.00 H new ATOM 0 HA THR A 75 94.650 -4.113 -4.989 1.00 0.00 H new ATOM 0 HB THR A 75 92.842 -6.498 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.244 -6.761 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.376 -5.245 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.947 -4.280 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.450 -3.935 -7.100 1.00 0.00 H new ATOM 1199 N LEU A 76 93.116 -3.341 -3.161 1.00 0.00 N ATOM 1200 CA LEU A 76 92.106 -2.771 -2.279 1.00 0.00 C ATOM 1201 C LEU A 76 91.067 -1.994 -3.081 1.00 0.00 C ATOM 1202 O LEU A 76 91.345 -1.521 -4.182 1.00 0.00 O ATOM 1203 CB LEU A 76 92.773 -1.832 -1.268 1.00 0.00 C ATOM 1204 CG LEU A 76 92.857 -2.519 0.099 1.00 0.00 C ATOM 1205 CD1 LEU A 76 93.973 -3.567 0.079 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.158 -1.475 1.179 1.00 0.00 C ATOM 0 H LEU A 76 93.956 -2.771 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 76 91.608 -3.586 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.772 -1.562 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.203 -0.906 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 76 91.906 -3.005 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.032 -4.055 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 76 93.759 -4.312 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 76 94.924 -3.082 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.218 -1.964 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.108 -0.987 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.363 -0.730 1.196 1.00 0.00 H new ATOM 1218 N HIS A 77 89.874 -1.859 -2.509 1.00 0.00 N ATOM 1219 CA HIS A 77 88.796 -1.126 -3.159 1.00 0.00 C ATOM 1220 C HIS A 77 88.348 0.025 -2.265 1.00 0.00 C ATOM 1221 O HIS A 77 87.760 -0.196 -1.205 1.00 0.00 O ATOM 1222 CB HIS A 77 87.614 -2.061 -3.441 1.00 0.00 C ATOM 1223 CG HIS A 77 87.591 -2.414 -4.905 1.00 0.00 C ATOM 1224 ND1 HIS A 77 86.607 -1.949 -5.763 1.00 0.00 N ATOM 1225 CD2 HIS A 77 88.426 -3.185 -5.676 1.00 0.00 C ATOM 1226 CE1 HIS A 77 86.872 -2.438 -6.988 1.00 0.00 C ATOM 1227 NE2 HIS A 77 87.970 -3.199 -6.990 1.00 0.00 N ATOM 0 H HIS A 77 89.631 -2.248 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 77 89.158 -0.726 -4.106 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.701 -2.966 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.679 -1.578 -3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 77 89.303 -3.702 -5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 77 86.271 -2.240 -7.863 1.00 0.00 H new ATOM 0 HE2 HIS A 77 88.385 -3.686 -7.785 1.00 0.00 H new ATOM 1235 N LEU A 78 88.631 1.251 -2.698 1.00 0.00 N ATOM 1236 CA LEU A 78 88.260 2.437 -1.935 1.00 0.00 C ATOM 1237 C LEU A 78 86.988 3.058 -2.507 1.00 0.00 C ATOM 1238 O LEU A 78 86.885 3.282 -3.714 1.00 0.00 O ATOM 1239 CB LEU A 78 89.404 3.456 -1.985 1.00 0.00 C ATOM 1240 CG LEU A 78 89.058 4.684 -1.129 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.874 4.661 0.168 1.00 0.00 C ATOM 1242 CD2 LEU A 78 89.388 5.958 -1.915 1.00 0.00 C ATOM 0 H LEU A 78 89.116 1.448 -3.573 1.00 0.00 H new ATOM 0 HA LEU A 78 88.074 2.150 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.324 2.998 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.584 3.761 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 78 87.996 4.666 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.624 5.534 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 78 89.642 3.755 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.937 4.677 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 89.144 6.832 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 78 90.450 5.970 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 78 88.805 5.979 -2.836 1.00 0.00 H new ATOM 1254 N VAL A 79 86.027 3.332 -1.631 1.00 0.00 N ATOM 1255 CA VAL A 79 84.762 3.928 -2.046 1.00 0.00 C ATOM 1256 C VAL A 79 84.722 5.407 -1.663 1.00 0.00 C ATOM 1257 O VAL A 79 84.945 5.761 -0.507 1.00 0.00 O ATOM 1258 CB VAL A 79 83.601 3.184 -1.375 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.302 3.977 -1.543 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.439 1.803 -2.020 1.00 0.00 C ATOM 0 H VAL A 79 86.100 3.151 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 79 84.668 3.846 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 79 83.817 3.072 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.484 3.440 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.412 4.958 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.084 4.098 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.614 1.273 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 79 83.229 1.920 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 79 84.359 1.232 -1.893 1.00 0.00 H new ATOM 1270 N LEU A 80 84.436 6.263 -2.642 1.00 0.00 N ATOM 1271 CA LEU A 80 84.369 7.702 -2.397 1.00 0.00 C ATOM 1272 C LEU A 80 82.922 8.152 -2.227 1.00 0.00 C ATOM 1273 O LEU A 80 82.128 8.088 -3.167 1.00 0.00 O ATOM 1274 CB LEU A 80 85.006 8.465 -3.564 1.00 0.00 C ATOM 1275 CG LEU A 80 86.476 8.057 -3.711 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.071 8.725 -4.953 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.257 8.499 -2.470 1.00 0.00 C ATOM 0 H LEU A 80 84.248 5.988 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 80 84.916 7.917 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.466 8.253 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.933 9.539 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 80 86.542 6.974 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.116 8.434 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.517 8.409 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.004 9.808 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.302 8.208 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.190 9.582 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.835 8.022 -1.586 1.00 0.00 H new ATOM 1289 N ARG A 81 82.584 8.610 -1.021 1.00 0.00 N ATOM 1290 CA ARG A 81 81.228 9.070 -0.740 1.00 0.00 C ATOM 1291 C ARG A 81 81.000 10.462 -1.324 1.00 0.00 C ATOM 1292 O ARG A 81 81.945 11.227 -1.520 1.00 0.00 O ATOM 1293 CB ARG A 81 80.979 9.079 0.776 1.00 0.00 C ATOM 1294 CG ARG A 81 81.373 10.435 1.372 1.00 0.00 C ATOM 1295 CD ARG A 81 81.277 10.371 2.899 1.00 0.00 C ATOM 1296 NE ARG A 81 81.611 11.666 3.481 1.00 0.00 N ATOM 1297 CZ ARG A 81 80.848 12.735 3.271 1.00 0.00 C ATOM 1298 NH1 ARG A 81 80.989 13.435 2.179 1.00 0.00 N ATOM 1299 NH2 ARG A 81 79.956 13.083 4.158 1.00 0.00 N ATOM 0 H ARG A 81 83.226 8.671 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 81 80.524 8.383 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 81 79.928 8.876 0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.555 8.284 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 81 82.388 10.695 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 81 80.717 11.217 0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 81 80.269 10.080 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 81 81.954 9.607 3.281 1.00 0.00 H new ATOM 0 HE ARG A 81 82.446 11.754 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 81 81.685 13.163 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 81 80.403 14.255 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 81 79.845 12.535 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 81 79.370 13.903 3.998 1.00 0.00 H new ATOM 1422 N ALA A 91 78.093 6.116 -8.551 1.00 0.00 N ATOM 1423 CA ALA A 91 78.267 6.334 -7.119 1.00 0.00 C ATOM 1424 C ALA A 91 77.391 7.491 -6.650 1.00 0.00 C ATOM 1425 O ALA A 91 77.286 8.514 -7.329 1.00 0.00 O ATOM 1426 CB ALA A 91 79.735 6.644 -6.813 1.00 0.00 C ATOM 0 HA ALA A 91 77.971 5.428 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.857 6.806 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.357 5.806 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.037 7.542 -7.352 1.00 0.00 H new ATOM 1432 N ASP A 92 76.764 7.323 -5.489 1.00 0.00 N ATOM 1433 CA ASP A 92 75.899 8.363 -4.939 1.00 0.00 C ATOM 1434 C ASP A 92 75.941 8.345 -3.413 1.00 0.00 C ATOM 1435 O ASP A 92 74.911 8.469 -2.749 1.00 0.00 O ATOM 1436 CB ASP A 92 74.462 8.160 -5.432 1.00 0.00 C ATOM 1437 CG ASP A 92 74.359 8.546 -6.905 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.210 9.724 -7.179 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.434 7.656 -7.737 1.00 0.00 O ATOM 0 H ASP A 92 76.837 6.483 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 92 76.259 9.334 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.166 7.120 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 92 73.776 8.765 -4.840 1.00 0.00 H new ATOM 1444 N GLU A 93 77.151 8.204 -2.874 1.00 0.00 N ATOM 1445 CA GLU A 93 77.364 8.184 -1.426 1.00 0.00 C ATOM 1446 C GLU A 93 76.882 6.875 -0.799 1.00 0.00 C ATOM 1447 O GLU A 93 77.654 6.183 -0.135 1.00 0.00 O ATOM 1448 CB GLU A 93 76.651 9.370 -0.765 1.00 0.00 C ATOM 1449 CG GLU A 93 77.256 9.626 0.619 1.00 0.00 C ATOM 1450 CD GLU A 93 76.238 10.330 1.512 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.426 9.641 2.109 1.00 0.00 O ATOM 1452 OE2 GLU A 93 76.284 11.547 1.585 1.00 0.00 O ATOM 0 H GLU A 93 78.005 8.101 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 93 78.437 8.264 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 93 76.750 10.260 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.585 9.162 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 93 77.559 8.682 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 93 78.154 10.237 0.525 1.00 0.00 H new ATOM 1459 N GLU A 94 75.605 6.550 -0.983 1.00 0.00 N ATOM 1460 CA GLU A 94 75.047 5.331 -0.401 1.00 0.00 C ATOM 1461 C GLU A 94 75.155 4.151 -1.368 1.00 0.00 C ATOM 1462 O GLU A 94 75.739 3.119 -1.035 1.00 0.00 O ATOM 1463 CB GLU A 94 73.577 5.565 -0.034 1.00 0.00 C ATOM 1464 CG GLU A 94 72.991 4.302 0.607 1.00 0.00 C ATOM 1465 CD GLU A 94 71.466 4.344 0.545 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.880 5.051 1.348 1.00 0.00 O ATOM 1467 OE2 GLU A 94 70.908 3.671 -0.307 1.00 0.00 O ATOM 0 H GLU A 94 74.943 7.106 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 94 75.620 5.088 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.495 6.405 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.008 5.828 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 94 73.360 3.417 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 94 73.319 4.225 1.644 1.00 0.00 H new ATOM 1474 N GLU A 95 74.567 4.303 -2.550 1.00 0.00 N ATOM 1475 CA GLU A 95 74.579 3.235 -3.554 1.00 0.00 C ATOM 1476 C GLU A 95 75.987 2.704 -3.788 1.00 0.00 C ATOM 1477 O GLU A 95 76.202 1.495 -3.792 1.00 0.00 O ATOM 1478 CB GLU A 95 74.013 3.730 -4.892 1.00 0.00 C ATOM 1479 CG GLU A 95 73.046 4.894 -4.665 1.00 0.00 C ATOM 1480 CD GLU A 95 71.872 4.446 -3.794 1.00 0.00 C ATOM 1481 OE1 GLU A 95 71.227 3.475 -4.155 1.00 0.00 O ATOM 1482 OE2 GLU A 95 71.636 5.080 -2.781 1.00 0.00 O ATOM 0 H GLU A 95 74.077 5.150 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 95 73.953 2.432 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.827 4.047 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.498 2.915 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 95 73.569 5.722 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 95 72.678 5.262 -5.623 1.00 0.00 H new ATOM 1489 N LEU A 96 76.929 3.616 -4.024 1.00 0.00 N ATOM 1490 CA LEU A 96 78.319 3.248 -4.308 1.00 0.00 C ATOM 1491 C LEU A 96 78.790 2.009 -3.532 1.00 0.00 C ATOM 1492 O LEU A 96 79.738 1.349 -3.947 1.00 0.00 O ATOM 1493 CB LEU A 96 79.255 4.427 -4.007 1.00 0.00 C ATOM 1494 CG LEU A 96 78.839 5.139 -2.714 1.00 0.00 C ATOM 1495 CD1 LEU A 96 78.987 4.191 -1.521 1.00 0.00 C ATOM 1496 CD2 LEU A 96 79.744 6.353 -2.502 1.00 0.00 C ATOM 0 H LEU A 96 76.755 4.621 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 96 78.357 2.996 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.280 4.069 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 96 79.237 5.133 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 96 77.798 5.453 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 96 78.689 4.706 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.351 3.318 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.026 3.873 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.456 6.866 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.781 6.025 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.642 7.035 -3.346 1.00 0.00 H new ATOM 1508 N ILE A 97 78.138 1.698 -2.413 1.00 0.00 N ATOM 1509 CA ILE A 97 78.525 0.537 -1.613 1.00 0.00 C ATOM 1510 C ILE A 97 77.870 -0.740 -2.146 1.00 0.00 C ATOM 1511 O ILE A 97 78.555 -1.728 -2.414 1.00 0.00 O ATOM 1512 CB ILE A 97 78.135 0.756 -0.141 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.267 1.500 0.582 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.899 -0.592 0.552 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.675 2.580 1.491 1.00 0.00 C ATOM 0 H ILE A 97 77.348 2.227 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 97 79.606 0.420 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 97 77.218 1.344 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.858 0.799 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.941 1.952 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.624 -0.423 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.094 -1.125 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.811 -1.187 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.481 3.106 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.103 3.288 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.019 2.116 2.228 1.00 0.00 H new ATOM 1527 N ARG A 98 76.544 -0.719 -2.282 1.00 0.00 N ATOM 1528 CA ARG A 98 75.814 -1.891 -2.766 1.00 0.00 C ATOM 1529 C ARG A 98 76.254 -2.286 -4.175 1.00 0.00 C ATOM 1530 O ARG A 98 76.411 -3.473 -4.472 1.00 0.00 O ATOM 1531 CB ARG A 98 74.302 -1.618 -2.752 1.00 0.00 C ATOM 1532 CG ARG A 98 73.915 -0.697 -3.917 1.00 0.00 C ATOM 1533 CD ARG A 98 72.553 -0.057 -3.639 1.00 0.00 C ATOM 1534 NE ARG A 98 71.541 -1.086 -3.427 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.873 -1.616 -4.446 1.00 0.00 C ATOM 1536 NH1 ARG A 98 69.925 -0.934 -5.028 1.00 0.00 N ATOM 1537 NH2 ARG A 98 71.164 -2.816 -4.864 1.00 0.00 N ATOM 0 H ARG A 98 75.958 0.088 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 98 76.041 -2.720 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.755 -2.558 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.018 -1.158 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.671 0.077 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 98 73.877 -1.266 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.618 0.584 -2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.265 0.578 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 98 71.342 -1.405 -2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 98 69.697 0.005 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.411 -1.340 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 98 71.905 -3.349 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 98 70.651 -3.222 -5.646 1.00 0.00 H new ATOM 1551 N LYS A 99 76.448 -1.295 -5.040 1.00 0.00 N ATOM 1552 CA LYS A 99 76.863 -1.572 -6.411 1.00 0.00 C ATOM 1553 C LYS A 99 78.345 -1.927 -6.474 1.00 0.00 C ATOM 1554 O LYS A 99 78.765 -2.673 -7.356 1.00 0.00 O ATOM 1555 CB LYS A 99 76.574 -0.369 -7.318 1.00 0.00 C ATOM 1556 CG LYS A 99 77.017 0.929 -6.637 1.00 0.00 C ATOM 1557 CD LYS A 99 77.221 2.023 -7.692 1.00 0.00 C ATOM 1558 CE LYS A 99 78.676 2.020 -8.172 1.00 0.00 C ATOM 1559 NZ LYS A 99 79.247 3.388 -8.029 1.00 0.00 N ATOM 0 H LYS A 99 76.327 -0.306 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 99 76.288 -2.427 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 99 77.097 -0.487 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.509 -0.323 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 99 76.267 1.245 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 99 77.943 0.764 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.550 1.857 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 99 76.970 2.997 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 99 79.261 1.307 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 99 78.727 1.700 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 80.006 3.522 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 78.500 4.094 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 79.634 3.504 -7.071 1.00 0.00 H new ATOM 1573 N ALA A 100 79.126 -1.432 -5.512 1.00 0.00 N ATOM 1574 CA ALA A 100 80.554 -1.746 -5.466 1.00 0.00 C ATOM 1575 C ALA A 100 80.734 -3.203 -5.077 1.00 0.00 C ATOM 1576 O ALA A 100 81.736 -3.831 -5.413 1.00 0.00 O ATOM 1577 CB ALA A 100 81.272 -0.854 -4.450 1.00 0.00 C ATOM 0 H ALA A 100 78.799 -0.820 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 100 80.985 -1.566 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.333 -1.104 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.151 0.191 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.845 -1.013 -3.460 1.00 0.00 H new ATOM 1583 N ILE A 101 79.737 -3.727 -4.378 1.00 0.00 N ATOM 1584 CA ILE A 101 79.750 -5.114 -3.943 1.00 0.00 C ATOM 1585 C ILE A 101 79.251 -6.019 -5.068 1.00 0.00 C ATOM 1586 O ILE A 101 79.635 -7.185 -5.159 1.00 0.00 O ATOM 1587 CB ILE A 101 78.847 -5.271 -2.714 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.534 -4.640 -1.496 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.585 -6.759 -2.443 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.480 -4.229 -0.463 1.00 0.00 C ATOM 0 H ILE A 101 78.905 -3.208 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 101 80.770 -5.400 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 101 77.896 -4.771 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.234 -5.349 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.114 -3.770 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.943 -6.862 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.094 -7.205 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.532 -7.268 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.972 -3.781 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.798 -3.505 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.919 -5.108 -0.146 1.00 0.00 H new ATOM 1602 N GLU A 102 78.355 -5.480 -5.891 1.00 0.00 N ATOM 1603 CA GLU A 102 77.755 -6.250 -6.980 1.00 0.00 C ATOM 1604 C GLU A 102 78.492 -6.120 -8.318 1.00 0.00 C ATOM 1605 O GLU A 102 78.199 -6.878 -9.244 1.00 0.00 O ATOM 1606 CB GLU A 102 76.305 -5.795 -7.168 1.00 0.00 C ATOM 1607 CG GLU A 102 75.355 -6.862 -6.617 1.00 0.00 C ATOM 1608 CD GLU A 102 75.657 -7.117 -5.141 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.414 -6.226 -4.344 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.132 -8.197 -4.831 1.00 0.00 O ATOM 0 H GLU A 102 78.028 -4.516 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 102 77.820 -7.299 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.141 -4.848 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.101 -5.624 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.321 -6.536 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.464 -7.786 -7.184 1.00 0.00 H new ATOM 1617 N LEU A 103 79.414 -5.168 -8.453 1.00 0.00 N ATOM 1618 CA LEU A 103 80.105 -5.019 -9.739 1.00 0.00 C ATOM 1619 C LEU A 103 81.461 -5.737 -9.785 1.00 0.00 C ATOM 1620 O LEU A 103 81.612 -6.721 -10.512 1.00 0.00 O ATOM 1621 CB LEU A 103 80.241 -3.537 -10.149 1.00 0.00 C ATOM 1622 CG LEU A 103 80.988 -2.706 -9.098 1.00 0.00 C ATOM 1623 CD1 LEU A 103 82.463 -2.563 -9.492 1.00 0.00 C ATOM 1624 CD2 LEU A 103 80.353 -1.309 -9.035 1.00 0.00 C ATOM 0 H LEU A 103 79.694 -4.512 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 103 79.471 -5.514 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.768 -3.473 -11.101 1.00 0.00 H new ATOM 0 HB3 LEU A 103 79.249 -3.113 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 103 80.922 -3.202 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 103 82.985 -1.971 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 103 82.919 -3.551 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 103 82.535 -2.065 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 103 80.874 -0.706 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 103 80.431 -0.829 -10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 103 79.303 -1.399 -8.758 1.00 0.00 H new ATOM 1636 N SER A 104 82.449 -5.236 -9.050 1.00 0.00 N ATOM 1637 CA SER A 104 83.789 -5.836 -9.068 1.00 0.00 C ATOM 1638 C SER A 104 84.037 -6.738 -7.865 1.00 0.00 C ATOM 1639 O SER A 104 85.052 -7.435 -7.809 1.00 0.00 O ATOM 1640 CB SER A 104 84.846 -4.731 -9.093 1.00 0.00 C ATOM 1641 OG SER A 104 86.137 -5.316 -9.215 1.00 0.00 O ATOM 0 H SER A 104 82.354 -4.425 -8.439 1.00 0.00 H new ATOM 0 HA SER A 104 83.856 -6.452 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.661 -4.054 -9.927 1.00 0.00 H new ATOM 0 HB3 SER A 104 84.788 -4.137 -8.181 1.00 0.00 H new ATOM 0 HG SER A 104 86.105 -6.246 -8.907 1.00 0.00 H new ATOM 1647 N LEU A 105 83.144 -6.692 -6.889 1.00 0.00 N ATOM 1648 CA LEU A 105 83.320 -7.479 -5.677 1.00 0.00 C ATOM 1649 C LEU A 105 82.617 -8.833 -5.755 1.00 0.00 C ATOM 1650 O LEU A 105 83.166 -9.843 -5.318 1.00 0.00 O ATOM 1651 CB LEU A 105 82.782 -6.681 -4.493 1.00 0.00 C ATOM 1652 CG LEU A 105 83.915 -5.884 -3.827 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.023 -6.835 -3.362 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.499 -4.873 -4.824 1.00 0.00 C ATOM 0 H LEU A 105 82.297 -6.124 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 105 84.384 -7.681 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.999 -6.001 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.328 -7.356 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 105 83.510 -5.353 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.821 -6.261 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.615 -7.546 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.422 -7.376 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.301 -4.312 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.894 -5.403 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.717 -4.185 -5.145 1.00 0.00 H new