USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 701 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 71 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 116 SER OG : rot -19:sc= 0.498 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.64) USER MOD Single : A 36 LYS NZ :NH3+ -128:sc= 0.328 (180deg=-0.0104) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 MET CE :methyl -135:sc= -0.49 (180deg=-3.11!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -0.499 K(o=-0.5,f=-2.3) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0264) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.99) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 140:sc= -0.0934 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.55) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.892 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -32:sc= -0.965! USER MOD Single : A 95 CYS SG : rot 106:sc= -0.591! USER MOD Single : A 98 GLN : amide:sc= -1.7! C(o=-1.7!,f=-8!) USER MOD Single : A 105 MET CE :methyl -177:sc= -1.51 (180deg=-1.58) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 77:sc= 0.16 USER MOD Single : A 113 GLN : amide:sc= -0.273 K(o=-0.27,f=-2!) USER MOD Single : A 115 SER OG : rot -130:sc= 0.354 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 78 N ALA A 9 -5.271 -12.612 -5.868 1.00 0.00 N ATOM 79 CA ALA A 9 -4.922 -11.272 -5.414 1.00 0.00 C ATOM 80 C ALA A 9 -6.132 -10.346 -5.453 1.00 0.00 C ATOM 81 O ALA A 9 -6.757 -10.169 -6.499 1.00 0.00 O ATOM 82 CB ALA A 9 -3.793 -10.705 -6.262 1.00 0.00 C ATOM 0 HA ALA A 9 -4.585 -11.342 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.543 -9.704 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.917 -11.348 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.110 -10.656 -7.304 1.00 0.00 H new ATOM 88 N ALA A 10 -6.458 -9.756 -4.307 1.00 0.00 N ATOM 89 CA ALA A 10 -7.593 -8.847 -4.212 1.00 0.00 C ATOM 90 C ALA A 10 -7.438 -7.672 -5.171 1.00 0.00 C ATOM 91 O ALA A 10 -8.378 -7.301 -5.873 1.00 0.00 O ATOM 92 CB ALA A 10 -7.751 -8.347 -2.783 1.00 0.00 C ATOM 0 H ALA A 10 -5.952 -9.892 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.491 -9.397 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.603 -7.669 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.917 -9.194 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.847 -7.819 -2.480 1.00 0.00 H new ATOM 98 N LYS A 11 -6.244 -7.089 -5.196 1.00 0.00 N ATOM 99 CA LYS A 11 -5.964 -5.955 -6.070 1.00 0.00 C ATOM 100 C LYS A 11 -4.478 -5.883 -6.407 1.00 0.00 C ATOM 101 O LYS A 11 -3.651 -6.505 -5.742 1.00 0.00 O ATOM 102 CB LYS A 11 -6.411 -4.651 -5.406 1.00 0.00 C ATOM 103 CG LYS A 11 -6.446 -3.466 -6.356 1.00 0.00 C ATOM 104 CD LYS A 11 -7.507 -2.457 -5.950 1.00 0.00 C ATOM 105 CE LYS A 11 -7.415 -1.187 -6.782 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.141 -1.317 -8.076 1.00 0.00 N ATOM 0 H LYS A 11 -5.454 -7.383 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.523 -6.094 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.403 -4.792 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.737 -4.424 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.469 -2.982 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.644 -3.816 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.496 -2.900 -6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.392 -2.211 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.828 -0.352 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.368 -0.955 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.054 -0.431 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.731 -2.098 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.146 -1.513 -7.892 1.00 0.00 H new ATOM 120 N GLU A 12 -4.147 -5.117 -7.442 1.00 0.00 N ATOM 121 CA GLU A 12 -2.761 -4.964 -7.866 1.00 0.00 C ATOM 122 C GLU A 12 -2.608 -3.773 -8.808 1.00 0.00 C ATOM 123 O GLU A 12 -3.570 -3.342 -9.442 1.00 0.00 O ATOM 124 CB GLU A 12 -2.270 -6.239 -8.555 1.00 0.00 C ATOM 125 CG GLU A 12 -2.996 -6.548 -9.853 1.00 0.00 C ATOM 126 CD GLU A 12 -2.838 -7.994 -10.281 1.00 0.00 C ATOM 127 OE1 GLU A 12 -3.192 -8.890 -9.486 1.00 0.00 O ATOM 128 OE2 GLU A 12 -2.359 -8.230 -11.410 1.00 0.00 O ATOM 0 H GLU A 12 -4.820 -4.593 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.155 -4.784 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.203 -6.144 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.390 -7.080 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.056 -6.322 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.617 -5.897 -10.641 1.00 0.00 H new ATOM 135 N GLY A 13 -1.390 -3.246 -8.894 1.00 0.00 N ATOM 136 CA GLY A 13 -1.133 -2.110 -9.760 1.00 0.00 C ATOM 137 C GLY A 13 0.012 -1.251 -9.264 1.00 0.00 C ATOM 138 O GLY A 13 0.419 -1.354 -8.107 1.00 0.00 O ATOM 0 H GLY A 13 -0.577 -3.585 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.907 -2.467 -10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.034 -1.502 -9.833 1.00 0.00 H new ATOM 142 N TRP A 14 0.535 -0.401 -10.141 1.00 0.00 N ATOM 143 CA TRP A 14 1.642 0.479 -9.785 1.00 0.00 C ATOM 144 C TRP A 14 1.182 1.573 -8.828 1.00 0.00 C ATOM 145 O TRP A 14 0.240 2.312 -9.120 1.00 0.00 O ATOM 146 CB TRP A 14 2.247 1.106 -11.043 1.00 0.00 C ATOM 147 CG TRP A 14 2.959 0.117 -11.916 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.424 -0.602 -12.946 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.337 -0.262 -11.832 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.386 -1.405 -13.508 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.569 -1.215 -12.843 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.398 0.111 -11.003 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.817 -1.798 -13.045 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.636 -0.469 -11.204 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.838 -1.414 -12.218 1.00 0.00 C ATOM 0 H TRP A 14 0.210 -0.303 -11.103 1.00 0.00 H new ATOM 0 HA TRP A 14 2.403 -0.120 -9.284 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.455 1.584 -11.619 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.945 1.890 -10.750 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.396 -0.547 -13.271 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.243 -2.040 -14.293 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.253 0.840 -10.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.974 -2.527 -13.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.463 -0.189 -10.568 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.818 -1.848 -12.350 1.00 0.00 H new ATOM 166 N LEU A 15 1.852 1.673 -7.685 1.00 0.00 N ATOM 167 CA LEU A 15 1.511 2.678 -6.684 1.00 0.00 C ATOM 168 C LEU A 15 2.763 3.187 -5.976 1.00 0.00 C ATOM 169 O LEU A 15 3.740 2.455 -5.818 1.00 0.00 O ATOM 170 CB LEU A 15 0.533 2.097 -5.661 1.00 0.00 C ATOM 171 CG LEU A 15 -0.721 1.435 -6.233 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.522 0.767 -5.127 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.575 2.457 -6.970 1.00 0.00 C ATOM 0 H LEU A 15 2.634 1.071 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 15 1.037 3.517 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.064 1.362 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.223 2.897 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.412 0.669 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.411 0.301 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.910 0.006 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.820 1.514 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.463 1.968 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.875 3.246 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.999 2.890 -7.788 1.00 0.00 H new ATOM 185 N HIS A 16 2.725 4.446 -5.550 1.00 0.00 N ATOM 186 CA HIS A 16 3.855 5.052 -4.856 1.00 0.00 C ATOM 187 C HIS A 16 3.814 4.730 -3.365 1.00 0.00 C ATOM 188 O HIS A 16 3.020 5.301 -2.618 1.00 0.00 O ATOM 189 CB HIS A 16 3.855 6.567 -5.062 1.00 0.00 C ATOM 190 CG HIS A 16 4.006 6.977 -6.494 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.230 7.104 -7.115 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.078 7.287 -7.429 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.049 7.477 -8.370 1.00 0.00 C ATOM 194 NE2 HIS A 16 3.751 7.594 -8.586 1.00 0.00 N ATOM 0 H HIS A 16 1.924 5.066 -5.673 1.00 0.00 H new ATOM 0 HA HIS A 16 4.771 4.636 -5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.924 6.978 -4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.666 7.004 -4.480 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.007 7.292 -7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.829 7.656 -9.095 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.319 7.868 -9.468 1.00 0.00 H new ATOM 203 N PHE A 17 4.673 3.810 -2.939 1.00 0.00 N ATOM 204 CA PHE A 17 4.734 3.410 -1.538 1.00 0.00 C ATOM 205 C PHE A 17 5.795 4.210 -0.790 1.00 0.00 C ATOM 206 O PHE A 17 6.991 4.070 -1.049 1.00 0.00 O ATOM 207 CB PHE A 17 5.033 1.914 -1.426 1.00 0.00 C ATOM 208 CG PHE A 17 5.600 1.514 -0.093 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.764 1.260 0.982 1.00 0.00 C ATOM 210 CD2 PHE A 17 6.969 1.394 0.084 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.283 0.892 2.209 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.493 1.026 1.308 1.00 0.00 C ATOM 213 CZ PHE A 17 6.649 0.776 2.373 1.00 0.00 C ATOM 0 H PHE A 17 5.337 3.327 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 17 3.764 3.614 -1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.115 1.354 -1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.736 1.632 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.695 1.351 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.634 1.590 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.620 0.695 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.562 0.934 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.057 0.491 3.331 1.00 0.00 H new ATOM 223 N ARG A 18 5.349 5.049 0.140 1.00 0.00 N ATOM 224 CA ARG A 18 6.260 5.873 0.925 1.00 0.00 C ATOM 225 C ARG A 18 6.065 5.627 2.418 1.00 0.00 C ATOM 226 O ARG A 18 5.147 6.155 3.045 1.00 0.00 O ATOM 227 CB ARG A 18 6.043 7.354 0.609 1.00 0.00 C ATOM 228 CG ARG A 18 7.179 8.250 1.076 1.00 0.00 C ATOM 229 CD ARG A 18 6.788 9.718 1.024 1.00 0.00 C ATOM 230 NE ARG A 18 5.888 10.084 2.114 1.00 0.00 N ATOM 231 CZ ARG A 18 5.524 11.334 2.379 1.00 0.00 C ATOM 232 NH1 ARG A 18 5.980 12.332 1.635 1.00 0.00 N ATOM 233 NH2 ARG A 18 4.701 11.588 3.388 1.00 0.00 N ATOM 0 H ARG A 18 4.363 5.176 0.368 1.00 0.00 H new ATOM 0 HA ARG A 18 7.280 5.597 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.917 7.472 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.115 7.684 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.459 7.983 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.056 8.084 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.686 10.334 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.307 9.931 0.070 1.00 0.00 H new ATOM 0 HE ARG A 18 5.518 9.339 2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.612 12.141 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.699 13.291 1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.347 10.823 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.423 12.548 3.590 1.00 0.00 H new ATOM 247 N PRO A 19 6.950 4.805 3.003 1.00 0.00 N ATOM 248 CA PRO A 19 6.896 4.470 4.429 1.00 0.00 C ATOM 249 C PRO A 19 7.262 5.654 5.317 1.00 0.00 C ATOM 250 O PRO A 19 8.184 6.411 5.011 1.00 0.00 O ATOM 251 CB PRO A 19 7.935 3.354 4.571 1.00 0.00 C ATOM 252 CG PRO A 19 8.888 3.580 3.448 1.00 0.00 C ATOM 253 CD PRO A 19 8.070 4.140 2.317 1.00 0.00 C ATOM 0 HA PRO A 19 5.893 4.180 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.440 3.404 5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.471 2.370 4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.677 4.273 3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.374 2.649 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.646 4.842 1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.721 3.355 1.646 1.00 0.00 H new ATOM 261 N LEU A 20 6.534 5.808 6.418 1.00 0.00 N ATOM 262 CA LEU A 20 6.783 6.901 7.352 1.00 0.00 C ATOM 263 C LEU A 20 7.961 6.579 8.266 1.00 0.00 C ATOM 264 O LEU A 20 8.837 7.416 8.485 1.00 0.00 O ATOM 265 CB LEU A 20 5.533 7.177 8.190 1.00 0.00 C ATOM 266 CG LEU A 20 4.369 7.847 7.458 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.326 8.336 8.451 1.00 0.00 C ATOM 268 CD2 LEU A 20 4.872 8.998 6.599 1.00 0.00 C ATOM 0 H LEU A 20 5.767 5.191 6.686 1.00 0.00 H new ATOM 0 HA LEU A 20 7.029 7.791 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.181 6.232 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.817 7.807 9.033 1.00 0.00 H new ATOM 0 HG LEU A 20 3.902 7.110 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.505 8.810 7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.944 7.491 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.780 9.058 9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.031 9.463 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.364 9.736 7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.582 8.620 5.863 1.00 0.00 H new ATOM 280 N VAL A 21 7.976 5.360 8.796 1.00 0.00 N ATOM 281 CA VAL A 21 9.047 4.926 9.684 1.00 0.00 C ATOM 282 C VAL A 21 9.101 3.405 9.778 1.00 0.00 C ATOM 283 O VAL A 21 8.094 2.724 9.583 1.00 0.00 O ATOM 284 CB VAL A 21 8.876 5.511 11.099 1.00 0.00 C ATOM 285 CG1 VAL A 21 7.758 4.794 11.841 1.00 0.00 C ATOM 286 CG2 VAL A 21 10.183 5.424 11.873 1.00 0.00 C ATOM 0 H VAL A 21 7.258 4.656 8.625 1.00 0.00 H new ATOM 0 HA VAL A 21 9.980 5.294 9.257 1.00 0.00 H new ATOM 0 HB VAL A 21 8.604 6.563 11.009 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.651 5.220 12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.823 4.913 11.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.997 3.734 11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.044 5.842 12.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.488 4.381 11.956 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.955 5.987 11.348 1.00 0.00 H new ATOM 495 N TRP A 35 9.076 9.276 -1.980 1.00 0.00 N ATOM 496 CA TRP A 35 8.092 8.358 -2.541 1.00 0.00 C ATOM 497 C TRP A 35 8.769 7.286 -3.388 1.00 0.00 C ATOM 498 O TRP A 35 9.617 7.588 -4.229 1.00 0.00 O ATOM 499 CB TRP A 35 7.072 9.124 -3.386 1.00 0.00 C ATOM 500 CG TRP A 35 6.228 10.069 -2.585 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.530 11.359 -2.255 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.944 9.796 -2.014 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.511 11.905 -1.511 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.526 10.967 -1.351 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.106 8.678 -1.999 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.309 11.048 -0.681 1.00 0.00 C ATOM 507 CZ3 TRP A 35 2.898 8.760 -1.333 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.508 9.938 -0.682 1.00 0.00 C ATOM 0 HA TRP A 35 7.575 7.870 -1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.598 9.684 -4.159 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.423 8.411 -3.895 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.436 11.875 -2.537 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.492 12.854 -1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.397 7.766 -2.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.007 11.955 -0.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.243 7.901 -1.314 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.557 9.971 -0.171 1.00 0.00 H new ATOM 519 N LYS A 36 8.390 6.033 -3.163 1.00 0.00 N ATOM 520 CA LYS A 36 8.959 4.915 -3.906 1.00 0.00 C ATOM 521 C LYS A 36 7.899 4.242 -4.773 1.00 0.00 C ATOM 522 O LYS A 36 6.917 3.705 -4.262 1.00 0.00 O ATOM 523 CB LYS A 36 9.569 3.894 -2.944 1.00 0.00 C ATOM 524 CG LYS A 36 10.648 4.473 -2.045 1.00 0.00 C ATOM 525 CD LYS A 36 11.651 3.413 -1.622 1.00 0.00 C ATOM 526 CE LYS A 36 11.189 2.676 -0.375 1.00 0.00 C ATOM 527 NZ LYS A 36 10.372 1.477 -0.709 1.00 0.00 N ATOM 0 H LYS A 36 7.690 5.766 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 36 9.742 5.305 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.777 3.474 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.992 3.071 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.166 5.277 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.188 4.913 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.794 2.701 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.618 3.880 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.057 2.372 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.604 3.351 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.476 1.509 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.172 1.466 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.896 0.617 -0.450 1.00 0.00 H new ATOM 541 N GLN A 37 8.107 4.275 -6.085 1.00 0.00 N ATOM 542 CA GLN A 37 7.169 3.667 -7.022 1.00 0.00 C ATOM 543 C GLN A 37 7.521 2.204 -7.273 1.00 0.00 C ATOM 544 O GLN A 37 8.492 1.899 -7.965 1.00 0.00 O ATOM 545 CB GLN A 37 7.165 4.437 -8.344 1.00 0.00 C ATOM 546 CG GLN A 37 6.092 3.972 -9.315 1.00 0.00 C ATOM 547 CD GLN A 37 5.968 4.877 -10.525 1.00 0.00 C ATOM 548 OE1 GLN A 37 6.717 5.844 -10.671 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.020 4.568 -11.402 1.00 0.00 N ATOM 0 H GLN A 37 8.916 4.716 -6.523 1.00 0.00 H new ATOM 0 HA GLN A 37 6.173 3.711 -6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.021 5.497 -8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.141 4.334 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.321 2.959 -9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.133 3.929 -8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.422 3.758 -11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.890 5.141 -12.236 1.00 0.00 H new ATOM 558 N MET A 38 6.726 1.304 -6.705 1.00 0.00 N ATOM 559 CA MET A 38 6.953 -0.127 -6.868 1.00 0.00 C ATOM 560 C MET A 38 5.630 -0.881 -6.957 1.00 0.00 C ATOM 561 O MET A 38 4.682 -0.578 -6.234 1.00 0.00 O ATOM 562 CB MET A 38 7.785 -0.669 -5.703 1.00 0.00 C ATOM 563 CG MET A 38 7.245 -0.278 -4.337 1.00 0.00 C ATOM 564 SD MET A 38 8.464 -0.482 -3.024 1.00 0.00 S ATOM 565 CE MET A 38 8.915 -2.201 -3.246 1.00 0.00 C ATOM 0 H MET A 38 5.919 1.540 -6.128 1.00 0.00 H new ATOM 0 HA MET A 38 7.501 -0.279 -7.798 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.825 -1.756 -5.771 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.808 -0.305 -5.798 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.916 0.761 -4.364 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.368 -0.884 -4.110 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.944 -2.698 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.178 -2.691 -3.883 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.897 -2.262 -3.714 1.00 0.00 H new ATOM 575 N TYR A 39 5.574 -1.865 -7.849 1.00 0.00 N ATOM 576 CA TYR A 39 4.367 -2.660 -8.034 1.00 0.00 C ATOM 577 C TYR A 39 3.836 -3.165 -6.696 1.00 0.00 C ATOM 578 O TYR A 39 4.433 -4.040 -6.068 1.00 0.00 O ATOM 579 CB TYR A 39 4.647 -3.842 -8.963 1.00 0.00 C ATOM 580 CG TYR A 39 3.438 -4.294 -9.751 1.00 0.00 C ATOM 581 CD1 TYR A 39 3.023 -3.603 -10.882 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.711 -5.413 -9.363 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.918 -4.011 -11.604 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.605 -5.830 -10.080 1.00 0.00 C ATOM 585 CZ TYR A 39 1.213 -5.125 -11.199 1.00 0.00 C ATOM 586 OH TYR A 39 0.113 -5.537 -11.916 1.00 0.00 O ATOM 0 H TYR A 39 6.351 -2.130 -8.455 1.00 0.00 H new ATOM 0 HA TYR A 39 3.609 -2.022 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.441 -3.567 -9.658 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.018 -4.679 -8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.574 -2.731 -11.203 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.015 -5.966 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.608 -3.461 -12.480 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.051 -6.702 -9.766 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.269 -6.337 -11.498 1.00 0.00 H new ATOM 596 N VAL A 40 2.709 -2.607 -6.265 1.00 0.00 N ATOM 597 CA VAL A 40 2.095 -3.001 -5.003 1.00 0.00 C ATOM 598 C VAL A 40 0.950 -3.982 -5.230 1.00 0.00 C ATOM 599 O VAL A 40 0.042 -3.720 -6.019 1.00 0.00 O ATOM 600 CB VAL A 40 1.563 -1.778 -4.232 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.845 -2.217 -2.964 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.698 -0.819 -3.907 1.00 0.00 C ATOM 0 H VAL A 40 2.203 -1.881 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 40 2.872 -3.485 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 40 0.846 -1.255 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.476 -1.340 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.006 -2.862 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.538 -2.764 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.304 0.039 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.441 -1.329 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.163 -0.479 -4.832 1.00 0.00 H new ATOM 612 N VAL A 41 1.000 -5.113 -4.534 1.00 0.00 N ATOM 613 CA VAL A 41 -0.034 -6.134 -4.659 1.00 0.00 C ATOM 614 C VAL A 41 -0.708 -6.400 -3.318 1.00 0.00 C ATOM 615 O VAL A 41 -0.046 -6.473 -2.281 1.00 0.00 O ATOM 616 CB VAL A 41 0.544 -7.454 -5.202 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.563 -8.478 -5.404 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.300 -7.211 -6.500 1.00 0.00 C ATOM 0 H VAL A 41 1.745 -5.346 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.773 -5.752 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 41 1.246 -7.852 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.136 -9.404 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.056 -8.673 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.291 -8.091 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.702 -8.155 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.622 -6.790 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.119 -6.514 -6.319 1.00 0.00 H new ATOM 628 N LEU A 42 -2.028 -6.546 -3.344 1.00 0.00 N ATOM 629 CA LEU A 42 -2.793 -6.805 -2.129 1.00 0.00 C ATOM 630 C LEU A 42 -3.367 -8.218 -2.139 1.00 0.00 C ATOM 631 O LEU A 42 -4.326 -8.504 -2.856 1.00 0.00 O ATOM 632 CB LEU A 42 -3.923 -5.784 -1.987 1.00 0.00 C ATOM 633 CG LEU A 42 -4.913 -6.033 -0.849 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.263 -5.749 0.496 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.161 -5.180 -1.031 1.00 0.00 C ATOM 0 H LEU A 42 -2.591 -6.490 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.119 -6.712 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.480 -4.798 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.478 -5.753 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.207 -7.082 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.983 -5.932 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.401 -6.402 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.939 -4.709 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.854 -5.370 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.884 -4.126 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.639 -5.432 -1.977 1.00 0.00 H new ATOM 647 N ARG A 43 -2.776 -9.097 -1.336 1.00 0.00 N ATOM 648 CA ARG A 43 -3.229 -10.480 -1.252 1.00 0.00 C ATOM 649 C ARG A 43 -3.841 -10.769 0.116 1.00 0.00 C ATOM 650 O ARG A 43 -3.129 -10.906 1.110 1.00 0.00 O ATOM 651 CB ARG A 43 -2.065 -11.438 -1.514 1.00 0.00 C ATOM 652 CG ARG A 43 -1.753 -11.627 -2.989 1.00 0.00 C ATOM 653 CD ARG A 43 -0.879 -12.850 -3.221 1.00 0.00 C ATOM 654 NE ARG A 43 -1.522 -14.077 -2.757 1.00 0.00 N ATOM 655 CZ ARG A 43 -1.030 -15.291 -2.976 1.00 0.00 C ATOM 656 NH1 ARG A 43 0.103 -15.441 -3.647 1.00 0.00 N ATOM 657 NH2 ARG A 43 -1.673 -16.360 -2.522 1.00 0.00 N ATOM 0 H ARG A 43 -1.983 -8.876 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.994 -10.632 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.175 -11.062 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.297 -12.407 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.683 -11.731 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.249 -10.740 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.653 -12.938 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.071 -12.720 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.396 -13.997 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.600 -14.622 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.478 -16.375 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.545 -16.249 -2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.295 -17.292 -2.690 1.00 0.00 H new ATOM 671 N GLY A 44 -5.167 -10.859 0.158 1.00 0.00 N ATOM 672 CA GLY A 44 -5.853 -11.130 1.408 1.00 0.00 C ATOM 673 C GLY A 44 -5.748 -9.978 2.388 1.00 0.00 C ATOM 674 O GLY A 44 -6.496 -9.004 2.295 1.00 0.00 O ATOM 0 H GLY A 44 -5.778 -10.749 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.904 -11.336 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.434 -12.028 1.862 1.00 0.00 H new ATOM 678 N HIS A 45 -4.819 -10.089 3.332 1.00 0.00 N ATOM 679 CA HIS A 45 -4.620 -9.049 4.335 1.00 0.00 C ATOM 680 C HIS A 45 -3.162 -8.603 4.373 1.00 0.00 C ATOM 681 O HIS A 45 -2.737 -7.915 5.302 1.00 0.00 O ATOM 682 CB HIS A 45 -5.048 -9.552 5.714 1.00 0.00 C ATOM 683 CG HIS A 45 -6.344 -10.303 5.702 1.00 0.00 C ATOM 684 ND1 HIS A 45 -7.414 -9.945 4.910 1.00 0.00 N ATOM 685 CD2 HIS A 45 -6.737 -11.401 6.390 1.00 0.00 C ATOM 686 CE1 HIS A 45 -8.411 -10.789 5.113 1.00 0.00 C ATOM 687 NE2 HIS A 45 -8.025 -11.682 6.006 1.00 0.00 N ATOM 0 H HIS A 45 -4.192 -10.889 3.423 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.236 -8.193 4.062 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.267 -10.198 6.115 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.136 -8.702 6.390 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -7.433 -9.153 4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.147 -11.953 7.107 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.377 -10.754 4.631 1.00 0.00 H new ATOM 696 N SER A 46 -2.400 -9.000 3.359 1.00 0.00 N ATOM 697 CA SER A 46 -0.987 -8.645 3.280 1.00 0.00 C ATOM 698 C SER A 46 -0.692 -7.877 1.995 1.00 0.00 C ATOM 699 O SER A 46 -1.267 -8.159 0.943 1.00 0.00 O ATOM 700 CB SER A 46 -0.119 -9.903 3.347 1.00 0.00 C ATOM 701 OG SER A 46 -0.476 -10.711 4.455 1.00 0.00 O ATOM 0 H SER A 46 -2.737 -9.567 2.581 1.00 0.00 H new ATOM 0 HA SER A 46 -0.750 -8.004 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.230 -10.475 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.931 -9.620 3.422 1.00 0.00 H new ATOM 0 HG SER A 46 0.092 -11.509 4.474 1.00 0.00 H new ATOM 707 N LEU A 47 0.209 -6.905 2.088 1.00 0.00 N ATOM 708 CA LEU A 47 0.582 -6.095 0.934 1.00 0.00 C ATOM 709 C LEU A 47 1.977 -6.464 0.438 1.00 0.00 C ATOM 710 O LEU A 47 2.974 -6.210 1.114 1.00 0.00 O ATOM 711 CB LEU A 47 0.532 -4.609 1.292 1.00 0.00 C ATOM 712 CG LEU A 47 -0.818 -3.917 1.099 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.847 -2.588 1.839 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.105 -3.712 -0.381 1.00 0.00 C ATOM 0 H LEU A 47 0.695 -6.659 2.951 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.132 -6.294 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.829 -4.497 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.275 -4.086 0.690 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.596 -4.558 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.815 -2.110 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.687 -2.761 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.059 -1.940 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.070 -3.218 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.324 -3.092 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.128 -4.678 -0.884 1.00 0.00 H new ATOM 726 N TYR A 48 2.039 -7.061 -0.747 1.00 0.00 N ATOM 727 CA TYR A 48 3.311 -7.465 -1.333 1.00 0.00 C ATOM 728 C TYR A 48 3.739 -6.493 -2.429 1.00 0.00 C ATOM 729 O TYR A 48 3.100 -6.401 -3.478 1.00 0.00 O ATOM 730 CB TYR A 48 3.207 -8.880 -1.904 1.00 0.00 C ATOM 731 CG TYR A 48 2.815 -9.919 -0.878 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.616 -10.169 0.229 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.641 -10.650 -1.015 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.261 -11.118 1.168 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.278 -11.600 -0.080 1.00 0.00 C ATOM 736 CZ TYR A 48 2.091 -11.831 1.010 1.00 0.00 C ATOM 737 OH TYR A 48 1.734 -12.776 1.944 1.00 0.00 O ATOM 0 H TYR A 48 1.223 -7.276 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 48 4.065 -7.452 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.475 -8.884 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.166 -9.158 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.532 -9.612 0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.002 -10.472 -1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.897 -11.301 2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.362 -12.159 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 48 0.883 -13.187 1.685 1.00 0.00 H new ATOM 747 N LEU A 49 4.824 -5.769 -2.178 1.00 0.00 N ATOM 748 CA LEU A 49 5.340 -4.804 -3.142 1.00 0.00 C ATOM 749 C LEU A 49 6.481 -5.404 -3.957 1.00 0.00 C ATOM 750 O LEU A 49 7.145 -6.343 -3.517 1.00 0.00 O ATOM 751 CB LEU A 49 5.820 -3.542 -2.423 1.00 0.00 C ATOM 752 CG LEU A 49 4.821 -2.896 -1.463 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.803 -3.635 -0.134 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.157 -1.426 -1.253 1.00 0.00 C ATOM 0 H LEU A 49 5.364 -5.832 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 49 4.531 -4.541 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.723 -3.787 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.100 -2.804 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 49 3.827 -2.962 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.086 -3.161 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.514 -4.673 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.796 -3.602 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.436 -0.982 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.159 -1.338 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.117 -0.904 -2.209 1.00 0.00 H new ATOM 766 N TYR A 50 6.705 -4.855 -5.146 1.00 0.00 N ATOM 767 CA TYR A 50 7.766 -5.337 -6.023 1.00 0.00 C ATOM 768 C TYR A 50 8.411 -4.182 -6.782 1.00 0.00 C ATOM 769 O TYR A 50 7.722 -3.310 -7.314 1.00 0.00 O ATOM 770 CB TYR A 50 7.213 -6.366 -7.010 1.00 0.00 C ATOM 771 CG TYR A 50 6.561 -7.556 -6.343 1.00 0.00 C ATOM 772 CD1 TYR A 50 5.239 -7.503 -5.921 1.00 0.00 C ATOM 773 CD2 TYR A 50 7.269 -8.733 -6.133 1.00 0.00 C ATOM 774 CE1 TYR A 50 4.639 -8.587 -5.310 1.00 0.00 C ATOM 775 CE2 TYR A 50 6.677 -9.823 -5.525 1.00 0.00 C ATOM 776 CZ TYR A 50 5.363 -9.746 -5.115 1.00 0.00 C ATOM 777 OH TYR A 50 4.770 -10.829 -4.507 1.00 0.00 O ATOM 0 H TYR A 50 6.166 -4.076 -5.525 1.00 0.00 H new ATOM 0 HA TYR A 50 8.527 -5.811 -5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.485 -5.880 -7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.024 -6.717 -7.648 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.670 -6.598 -6.073 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.299 -8.797 -6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.610 -8.528 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.241 -10.731 -5.372 1.00 0.00 H new ATOM 0 HH TYR A 50 5.415 -11.564 -4.447 1.00 0.00 H new ATOM 787 N LYS A 51 9.738 -4.182 -6.830 1.00 0.00 N ATOM 788 CA LYS A 51 10.479 -3.136 -7.526 1.00 0.00 C ATOM 789 C LYS A 51 10.170 -3.152 -9.019 1.00 0.00 C ATOM 790 O LYS A 51 10.326 -2.142 -9.706 1.00 0.00 O ATOM 791 CB LYS A 51 11.983 -3.315 -7.304 1.00 0.00 C ATOM 792 CG LYS A 51 12.494 -4.694 -7.684 1.00 0.00 C ATOM 793 CD LYS A 51 14.000 -4.693 -7.891 1.00 0.00 C ATOM 794 CE LYS A 51 14.744 -4.782 -6.567 1.00 0.00 C ATOM 795 NZ LYS A 51 14.721 -6.163 -6.009 1.00 0.00 N ATOM 0 H LYS A 51 10.324 -4.895 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 51 10.169 -2.173 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.519 -2.565 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.212 -3.128 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.234 -5.408 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.000 -5.027 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.282 -5.533 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.296 -3.784 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.777 -4.465 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.295 -4.094 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.336 -6.209 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.748 -6.412 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.063 -6.833 -6.727 1.00 0.00 H new ATOM 809 N ASP A 52 9.728 -4.302 -9.515 1.00 0.00 N ATOM 810 CA ASP A 52 9.394 -4.448 -10.927 1.00 0.00 C ATOM 811 C ASP A 52 8.144 -5.305 -11.104 1.00 0.00 C ATOM 812 O ASP A 52 7.561 -5.780 -10.130 1.00 0.00 O ATOM 813 CB ASP A 52 10.566 -5.069 -11.690 1.00 0.00 C ATOM 814 CG ASP A 52 11.663 -4.066 -11.982 1.00 0.00 C ATOM 815 OD1 ASP A 52 11.401 -3.100 -12.730 1.00 0.00 O ATOM 816 OD2 ASP A 52 12.785 -4.245 -11.463 1.00 0.00 O ATOM 0 H ASP A 52 9.593 -5.147 -8.960 1.00 0.00 H new ATOM 0 HA ASP A 52 9.193 -3.456 -11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.978 -5.894 -11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.203 -5.489 -12.628 1.00 0.00 H new ATOM 821 N LYS A 53 7.737 -5.497 -12.354 1.00 0.00 N ATOM 822 CA LYS A 53 6.557 -6.296 -12.660 1.00 0.00 C ATOM 823 C LYS A 53 6.946 -7.727 -13.016 1.00 0.00 C ATOM 824 O LYS A 53 6.277 -8.382 -13.816 1.00 0.00 O ATOM 825 CB LYS A 53 5.775 -5.667 -13.816 1.00 0.00 C ATOM 826 CG LYS A 53 4.290 -5.988 -13.792 1.00 0.00 C ATOM 827 CD LYS A 53 3.576 -5.413 -15.004 1.00 0.00 C ATOM 828 CE LYS A 53 2.202 -6.039 -15.190 1.00 0.00 C ATOM 829 NZ LYS A 53 2.272 -7.310 -15.961 1.00 0.00 N ATOM 0 H LYS A 53 8.207 -5.110 -13.172 1.00 0.00 H new ATOM 0 HA LYS A 53 5.925 -6.320 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.905 -4.585 -13.785 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.198 -6.012 -14.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.151 -7.069 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.845 -5.587 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.473 -4.334 -14.889 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.178 -5.582 -15.897 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.755 -6.230 -14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.549 -5.336 -15.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.316 -7.705 -16.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.675 -7.124 -16.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.874 -7.990 -15.455 1.00 0.00 H new ATOM 1014 N PRO A 65 6.525 -7.833 3.797 1.00 0.00 N ATOM 1015 CA PRO A 65 5.077 -7.690 3.613 1.00 0.00 C ATOM 1016 C PRO A 65 4.418 -6.943 4.767 1.00 0.00 C ATOM 1017 O PRO A 65 4.827 -7.079 5.921 1.00 0.00 O ATOM 1018 CB PRO A 65 4.582 -9.137 3.560 1.00 0.00 C ATOM 1019 CG PRO A 65 5.603 -9.915 4.316 1.00 0.00 C ATOM 1020 CD PRO A 65 6.916 -9.227 4.068 1.00 0.00 C ATOM 0 HA PRO A 65 4.834 -7.109 2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.595 -9.235 4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.497 -9.489 2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.368 -9.936 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.635 -10.950 3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.577 -9.298 4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.447 -9.667 3.224 1.00 0.00 H new ATOM 1028 N ILE A 66 3.396 -6.156 4.449 1.00 0.00 N ATOM 1029 CA ILE A 66 2.679 -5.389 5.461 1.00 0.00 C ATOM 1030 C ILE A 66 1.268 -5.929 5.662 1.00 0.00 C ATOM 1031 O ILE A 66 0.431 -5.859 4.762 1.00 0.00 O ATOM 1032 CB ILE A 66 2.598 -3.898 5.084 1.00 0.00 C ATOM 1033 CG1 ILE A 66 3.997 -3.338 4.823 1.00 0.00 C ATOM 1034 CG2 ILE A 66 1.902 -3.111 6.184 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.008 -2.151 3.885 1.00 0.00 C ATOM 0 H ILE A 66 3.046 -6.032 3.499 1.00 0.00 H new ATOM 0 HA ILE A 66 3.240 -5.490 6.390 1.00 0.00 H new ATOM 0 HB ILE A 66 2.013 -3.801 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.445 -3.045 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.623 -4.127 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.852 -2.059 5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.892 -3.497 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.462 -3.212 7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.033 -1.807 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.590 -2.444 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.409 -1.346 4.310 1.00 0.00 H new ATOM 1047 N SER A 67 1.009 -6.466 6.850 1.00 0.00 N ATOM 1048 CA SER A 67 -0.301 -7.020 7.170 1.00 0.00 C ATOM 1049 C SER A 67 -1.323 -5.908 7.388 1.00 0.00 C ATOM 1050 O SER A 67 -1.340 -5.260 8.434 1.00 0.00 O ATOM 1051 CB SER A 67 -0.216 -7.900 8.418 1.00 0.00 C ATOM 1052 OG SER A 67 -1.446 -8.559 8.663 1.00 0.00 O ATOM 0 H SER A 67 1.690 -6.529 7.607 1.00 0.00 H new ATOM 0 HA SER A 67 -0.626 -7.629 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.577 -8.638 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.050 -7.289 9.280 1.00 0.00 H new ATOM 0 HG SER A 67 -1.365 -9.116 9.465 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.175 -5.691 6.390 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.201 -4.659 6.471 1.00 0.00 C ATOM 1060 C VAL A 68 -4.280 -5.035 7.480 1.00 0.00 C ATOM 1061 O VAL A 68 -5.122 -4.213 7.839 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.858 -4.412 5.100 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.798 -4.211 4.028 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.783 -5.564 4.738 1.00 0.00 C ATOM 0 H VAL A 68 -2.174 -6.217 5.516 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.706 -3.745 6.798 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.455 -3.502 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.281 -4.038 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.180 -3.350 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.172 -5.101 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.239 -5.373 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.210 -6.490 4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.564 -5.655 5.493 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.249 -6.284 7.934 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.225 -6.770 8.902 1.00 0.00 C ATOM 1076 C ASN A 69 -5.446 -5.747 10.013 1.00 0.00 C ATOM 1077 O ASN A 69 -4.601 -5.579 10.892 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.762 -8.099 9.502 1.00 0.00 C ATOM 1079 CG ASN A 69 -5.891 -8.855 10.173 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -7.035 -8.819 9.718 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -5.575 -9.547 11.262 1.00 0.00 N ATOM 0 H ASN A 69 -3.558 -6.978 7.647 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.170 -6.924 8.381 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.330 -8.719 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.972 -7.911 10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.293 -10.077 11.756 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.614 -9.549 11.604 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.586 -5.067 9.965 1.00 0.00 N ATOM 1089 CA ALA A 70 -6.919 -4.062 10.968 1.00 0.00 C ATOM 1090 C ALA A 70 -6.094 -2.795 10.771 1.00 0.00 C ATOM 1091 O ALA A 70 -5.500 -2.276 11.717 1.00 0.00 O ATOM 1092 CB ALA A 70 -6.705 -4.622 12.367 1.00 0.00 C ATOM 0 H ALA A 70 -7.295 -5.193 9.243 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.971 -3.801 10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.957 -3.861 13.106 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.343 -5.494 12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.661 -4.912 12.487 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.061 -2.302 9.538 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.307 -1.096 9.217 1.00 0.00 C ATOM 1100 C CYS A 71 -6.217 0.128 9.206 1.00 0.00 C ATOM 1101 O CYS A 71 -7.441 0.005 9.272 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.618 -1.246 7.860 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.725 -1.050 6.444 1.00 0.00 S ATOM 0 H CYS A 71 -6.548 -2.719 8.744 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.549 -0.956 9.988 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.818 -0.509 7.787 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -4.151 -2.229 7.809 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.050 -1.192 5.342 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.613 1.308 9.123 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.369 2.555 9.105 1.00 0.00 C ATOM 1111 C LEU A 72 -5.996 3.400 7.891 1.00 0.00 C ATOM 1112 O LEU A 72 -4.859 3.855 7.765 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.115 3.347 10.389 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.673 4.770 10.422 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -6.979 5.191 11.851 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -5.696 5.741 9.776 1.00 0.00 C ATOM 0 H LEU A 72 -4.602 1.427 9.067 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.429 2.308 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.541 2.792 11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.039 3.396 10.555 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.602 4.788 9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.375 6.206 11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.716 4.513 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.065 5.156 12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.110 6.749 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.750 5.719 10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.527 5.451 8.739 1.00 0.00 H new ATOM 1128 N ILE A 73 -6.961 3.608 7.003 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.735 4.402 5.801 1.00 0.00 C ATOM 1130 C ILE A 73 -7.373 5.781 5.925 1.00 0.00 C ATOM 1131 O ILE A 73 -8.410 5.941 6.569 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.294 3.700 4.549 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.358 2.574 4.108 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.492 4.704 3.423 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -6.970 1.645 3.083 1.00 0.00 C ATOM 0 H ILE A 73 -7.907 3.238 7.092 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.656 4.512 5.694 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.262 3.265 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.449 3.010 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.064 1.994 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.887 4.193 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.194 5.474 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.536 5.165 3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.250 0.871 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.863 1.181 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.239 2.213 2.192 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.748 6.774 5.302 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.257 8.140 5.340 1.00 0.00 C ATOM 1149 C ASP A 74 -6.624 8.986 4.239 1.00 0.00 C ATOM 1150 O ASP A 74 -5.400 9.079 4.141 1.00 0.00 O ATOM 1151 CB ASP A 74 -6.983 8.772 6.706 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.093 8.499 7.702 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.074 9.271 7.724 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.980 7.513 8.461 1.00 0.00 O ATOM 0 H ASP A 74 -5.889 6.659 4.765 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.334 8.105 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.042 8.387 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.862 9.849 6.587 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.465 9.600 3.414 1.00 0.00 N ATOM 1160 CA ILE A 75 -6.988 10.437 2.321 1.00 0.00 C ATOM 1161 C ILE A 75 -5.881 11.376 2.790 1.00 0.00 C ATOM 1162 O ILE A 75 -6.151 12.454 3.321 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.129 11.272 1.711 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.198 10.354 1.114 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.586 12.219 0.651 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.355 11.101 0.487 1.00 0.00 C ATOM 0 H ILE A 75 -8.481 9.533 3.482 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.593 9.765 1.559 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.586 11.867 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.737 9.715 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.581 9.699 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.405 12.802 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.857 12.892 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.106 11.643 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.074 10.387 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.841 11.719 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.985 11.736 -0.318 1.00 0.00 H new ATOM 1178 N SER A 76 -4.635 10.960 2.589 1.00 0.00 N ATOM 1179 CA SER A 76 -3.487 11.763 2.994 1.00 0.00 C ATOM 1180 C SER A 76 -3.776 13.251 2.819 1.00 0.00 C ATOM 1181 O SER A 76 -4.550 13.646 1.947 1.00 0.00 O ATOM 1182 CB SER A 76 -2.252 11.373 2.180 1.00 0.00 C ATOM 1183 OG SER A 76 -1.108 12.087 2.614 1.00 0.00 O ATOM 0 H SER A 76 -4.395 10.072 2.148 1.00 0.00 H new ATOM 0 HA SER A 76 -3.294 11.569 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.074 10.302 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.431 11.574 1.124 1.00 0.00 H new ATOM 0 HG SER A 76 -0.332 11.818 2.079 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.148 14.072 3.653 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.338 15.516 3.594 1.00 0.00 C ATOM 1191 C TYR A 77 -3.192 16.026 2.163 1.00 0.00 C ATOM 1192 O TYR A 77 -2.847 15.270 1.255 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.332 16.222 4.504 1.00 0.00 C ATOM 1194 CG TYR A 77 -0.895 15.839 4.231 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.337 14.704 4.808 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.095 16.611 3.398 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.975 14.350 4.562 1.00 0.00 C ATOM 1198 CE2 TYR A 77 1.218 16.263 3.145 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.748 15.132 3.730 1.00 0.00 C ATOM 1200 OH TYR A 77 3.056 14.784 3.482 1.00 0.00 O ATOM 0 H TYR A 77 -2.502 13.762 4.379 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.348 15.739 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.441 17.300 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.570 15.991 5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.940 14.089 5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.506 17.498 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.393 13.465 5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.826 16.873 2.493 1.00 0.00 H new ATOM 0 HH TYR A 77 3.459 15.439 2.875 1.00 0.00 H new ATOM 1210 N SER A 78 -3.456 17.314 1.971 1.00 0.00 N ATOM 1211 CA SER A 78 -3.358 17.926 0.651 1.00 0.00 C ATOM 1212 C SER A 78 -1.995 18.585 0.458 1.00 0.00 C ATOM 1213 O SER A 78 -1.495 18.683 -0.661 1.00 0.00 O ATOM 1214 CB SER A 78 -4.468 18.961 0.462 1.00 0.00 C ATOM 1215 OG SER A 78 -4.189 20.147 1.185 1.00 0.00 O ATOM 0 H SER A 78 -3.739 17.954 2.713 1.00 0.00 H new ATOM 0 HA SER A 78 -3.472 17.141 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.575 19.194 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.419 18.544 0.795 1.00 0.00 H new ATOM 0 HG SER A 78 -4.913 20.793 1.046 1.00 0.00 H new ATOM 1221 N GLU A 79 -1.401 19.035 1.559 1.00 0.00 N ATOM 1222 CA GLU A 79 -0.097 19.685 1.511 1.00 0.00 C ATOM 1223 C GLU A 79 0.808 19.014 0.483 1.00 0.00 C ATOM 1224 O GLU A 79 1.460 19.683 -0.320 1.00 0.00 O ATOM 1225 CB GLU A 79 0.566 19.651 2.890 1.00 0.00 C ATOM 1226 CG GLU A 79 1.548 20.787 3.122 1.00 0.00 C ATOM 1227 CD GLU A 79 0.935 22.150 2.866 1.00 0.00 C ATOM 1228 OE1 GLU A 79 0.230 22.661 3.761 1.00 0.00 O ATOM 1229 OE2 GLU A 79 1.159 22.706 1.770 1.00 0.00 O ATOM 0 H GLU A 79 -1.802 18.961 2.494 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.248 20.723 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.208 19.689 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.087 18.701 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.912 20.744 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.412 20.654 2.471 1.00 0.00 H new ATOM 1236 N THR A 80 0.845 17.685 0.514 1.00 0.00 N ATOM 1237 CA THR A 80 1.671 16.922 -0.413 1.00 0.00 C ATOM 1238 C THR A 80 1.368 17.299 -1.858 1.00 0.00 C ATOM 1239 O THR A 80 0.208 17.464 -2.238 1.00 0.00 O ATOM 1240 CB THR A 80 1.461 15.406 -0.235 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.533 14.687 -0.855 1.00 0.00 O ATOM 1242 CG2 THR A 80 0.135 14.969 -0.837 1.00 0.00 C ATOM 0 H THR A 80 0.312 17.115 1.171 1.00 0.00 H new ATOM 0 HA THR A 80 2.709 17.167 -0.187 1.00 0.00 H new ATOM 0 HB THR A 80 1.447 15.186 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.789 13.929 -0.289 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.009 13.895 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.681 15.496 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.125 15.202 -1.902 1.00 0.00 H new ATOM 1250 N LYS A 81 2.417 17.433 -2.663 1.00 0.00 N ATOM 1251 CA LYS A 81 2.264 17.788 -4.068 1.00 0.00 C ATOM 1252 C LYS A 81 1.816 16.583 -4.889 1.00 0.00 C ATOM 1253 O LYS A 81 2.366 16.307 -5.955 1.00 0.00 O ATOM 1254 CB LYS A 81 3.580 18.336 -4.624 1.00 0.00 C ATOM 1255 CG LYS A 81 3.404 19.221 -5.845 1.00 0.00 C ATOM 1256 CD LYS A 81 4.642 20.063 -6.107 1.00 0.00 C ATOM 1257 CE LYS A 81 4.528 20.830 -7.416 1.00 0.00 C ATOM 1258 NZ LYS A 81 5.862 21.090 -8.024 1.00 0.00 N ATOM 0 H LYS A 81 3.384 17.301 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 81 1.497 18.559 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.085 18.905 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.231 17.501 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.193 18.602 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.543 19.874 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.787 20.764 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.521 19.420 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.914 20.264 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.019 21.777 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.742 21.614 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.440 21.652 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.338 20.186 -8.217 1.00 0.00 H new ATOM 1272 N ARG A 82 0.813 15.870 -4.386 1.00 0.00 N ATOM 1273 CA ARG A 82 0.292 14.695 -5.073 1.00 0.00 C ATOM 1274 C ARG A 82 -1.219 14.582 -4.887 1.00 0.00 C ATOM 1275 O ARG A 82 -1.725 14.654 -3.767 1.00 0.00 O ATOM 1276 CB ARG A 82 0.976 13.429 -4.554 1.00 0.00 C ATOM 1277 CG ARG A 82 2.490 13.458 -4.684 1.00 0.00 C ATOM 1278 CD ARG A 82 3.157 12.598 -3.622 1.00 0.00 C ATOM 1279 NE ARG A 82 4.585 12.426 -3.874 1.00 0.00 N ATOM 1280 CZ ARG A 82 5.076 11.580 -4.773 1.00 0.00 C ATOM 1281 NH1 ARG A 82 4.258 10.833 -5.501 1.00 0.00 N ATOM 1282 NH2 ARG A 82 6.388 11.480 -4.945 1.00 0.00 N ATOM 0 H ARG A 82 0.346 16.086 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 82 0.503 14.804 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.712 13.287 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.589 12.568 -5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.778 13.104 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.844 14.485 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.014 13.055 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.674 11.621 -3.591 1.00 0.00 H new ATOM 0 HE ARG A 82 5.241 12.986 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.249 10.907 -5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.638 10.184 -6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.021 12.053 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.764 10.830 -5.636 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.934 14.406 -5.992 1.00 0.00 N ATOM 1297 CA LYS A 83 -3.387 14.282 -5.953 1.00 0.00 C ATOM 1298 C LYS A 83 -3.810 12.819 -6.023 1.00 0.00 C ATOM 1299 O LYS A 83 -3.172 12.010 -6.695 1.00 0.00 O ATOM 1300 CB LYS A 83 -4.017 15.063 -7.109 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.978 16.569 -6.918 1.00 0.00 C ATOM 1302 CD LYS A 83 -4.593 17.297 -8.102 1.00 0.00 C ATOM 1303 CE LYS A 83 -6.112 17.221 -8.074 1.00 0.00 C ATOM 1304 NZ LYS A 83 -6.724 17.936 -9.228 1.00 0.00 N ATOM 0 H LYS A 83 -1.531 14.346 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.737 14.698 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.498 14.809 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.053 14.747 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.514 16.835 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.946 16.893 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.279 18.341 -8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.223 16.862 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.424 16.177 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.480 17.652 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.760 17.861 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.447 18.938 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.393 17.509 -10.116 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.892 12.486 -5.326 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.401 11.120 -5.310 1.00 0.00 C ATOM 1320 C ASN A 84 -4.481 10.205 -4.507 1.00 0.00 C ATOM 1321 O ASN A 84 -4.221 9.068 -4.901 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.545 10.591 -6.738 1.00 0.00 C ATOM 1323 CG ASN A 84 -6.062 11.646 -7.696 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -7.102 12.262 -7.457 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -5.338 11.860 -8.788 1.00 0.00 N ATOM 0 H ASN A 84 -5.433 13.144 -4.765 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.381 11.130 -4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.578 10.229 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.224 9.738 -6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.637 12.558 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.483 11.327 -8.946 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.991 10.710 -3.379 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.101 9.939 -2.519 1.00 0.00 C ATOM 1334 C VAL A 85 -3.764 9.625 -1.183 1.00 0.00 C ATOM 1335 O VAL A 85 -4.280 10.516 -0.508 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.781 10.689 -2.261 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -2.048 12.017 -1.568 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.833 9.830 -1.438 1.00 0.00 C ATOM 0 H VAL A 85 -4.196 11.650 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.884 9.007 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.307 10.896 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.104 12.533 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.688 12.634 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.544 11.836 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.095 10.375 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.297 9.590 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.617 8.908 -1.977 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.748 8.350 -0.806 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.348 7.917 0.451 1.00 0.00 C ATOM 1350 C PHE A 86 -3.276 7.468 1.439 1.00 0.00 C ATOM 1351 O PHE A 86 -2.262 6.887 1.051 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.337 6.777 0.201 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.855 5.775 -0.809 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.744 6.119 -2.147 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.514 4.490 -0.421 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -4.301 5.200 -3.079 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -4.069 3.567 -1.349 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.964 3.922 -2.680 1.00 0.00 C ATOM 0 H PHE A 86 -3.326 7.599 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.881 8.764 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.535 6.265 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.284 7.196 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.007 7.117 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.597 4.206 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.218 5.481 -4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.804 2.569 -1.034 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.619 3.201 -3.407 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.507 7.743 2.719 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.561 7.369 3.764 1.00 0.00 C ATOM 1370 C ARG A 87 -3.033 6.121 4.503 1.00 0.00 C ATOM 1371 O ARG A 87 -4.174 6.052 4.963 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.379 8.522 4.752 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.287 8.276 5.780 1.00 0.00 C ATOM 1374 CD ARG A 87 -0.921 9.553 6.521 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.879 9.867 7.577 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.001 11.071 8.125 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.228 12.069 7.718 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.896 11.279 9.082 1.00 0.00 N ATOM 0 H ARG A 87 -4.341 8.223 3.057 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.603 7.150 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.146 9.431 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.322 8.697 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.621 7.523 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.403 7.876 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.074 9.448 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.876 10.382 5.814 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.488 9.121 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.538 11.913 6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.323 12.993 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.492 10.514 9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.988 12.204 9.502 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.149 5.135 4.613 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.474 3.888 5.297 1.00 0.00 C ATOM 1394 C LEU A 88 -1.495 3.620 6.435 1.00 0.00 C ATOM 1395 O LEU A 88 -0.285 3.787 6.281 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.456 2.722 4.307 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.389 1.323 4.920 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -3.062 0.308 4.009 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.945 0.926 5.189 1.00 0.00 C ATOM 0 H LEU A 88 -1.202 5.175 4.237 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.474 3.983 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.351 2.783 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.600 2.848 3.644 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.923 1.338 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.004 -0.682 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.107 0.582 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.557 0.295 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.917 -0.073 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.387 0.929 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.495 1.637 5.882 1.00 0.00 H new ATOM 1411 N THR A 89 -2.027 3.199 7.579 1.00 0.00 N ATOM 1412 CA THR A 89 -1.201 2.906 8.743 1.00 0.00 C ATOM 1413 C THR A 89 -1.452 1.492 9.254 1.00 0.00 C ATOM 1414 O THR A 89 -2.552 1.169 9.705 1.00 0.00 O ATOM 1415 CB THR A 89 -1.464 3.906 9.885 1.00 0.00 C ATOM 1416 OG1 THR A 89 -0.985 5.205 9.519 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.785 3.452 11.169 1.00 0.00 C ATOM 0 H THR A 89 -3.026 3.054 7.723 1.00 0.00 H new ATOM 0 HA THR A 89 -0.163 2.995 8.423 1.00 0.00 H new ATOM 0 HB THR A 89 -2.539 3.952 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.158 5.835 10.250 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.985 4.174 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.174 2.476 11.461 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.290 3.380 11.006 1.00 0.00 H new ATOM 1425 N THR A 90 -0.426 0.650 9.180 1.00 0.00 N ATOM 1426 CA THR A 90 -0.536 -0.731 9.634 1.00 0.00 C ATOM 1427 C THR A 90 0.146 -0.921 10.984 1.00 0.00 C ATOM 1428 O THR A 90 1.071 -0.188 11.333 1.00 0.00 O ATOM 1429 CB THR A 90 0.084 -1.708 8.617 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.510 -1.579 8.620 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.452 -1.444 7.218 1.00 0.00 C ATOM 0 H THR A 90 0.491 0.900 8.810 1.00 0.00 H new ATOM 0 HA THR A 90 -1.600 -0.948 9.733 1.00 0.00 H new ATOM 0 HB THR A 90 -0.188 -2.723 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.753 -0.630 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.000 -2.146 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.534 -1.572 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.206 -0.425 6.920 1.00 0.00 H new ATOM 1439 N SER A 91 -0.318 -1.911 11.741 1.00 0.00 N ATOM 1440 CA SER A 91 0.246 -2.196 13.056 1.00 0.00 C ATOM 1441 C SER A 91 1.763 -2.335 12.978 1.00 0.00 C ATOM 1442 O SER A 91 2.477 -2.000 13.924 1.00 0.00 O ATOM 1443 CB SER A 91 -0.366 -3.475 13.630 1.00 0.00 C ATOM 1444 OG SER A 91 -0.254 -3.505 15.042 1.00 0.00 O ATOM 0 H SER A 91 -1.082 -2.528 11.467 1.00 0.00 H new ATOM 0 HA SER A 91 0.009 -1.361 13.715 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.416 -3.540 13.344 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.135 -4.344 13.204 1.00 0.00 H new ATOM 0 HG SER A 91 -0.654 -4.332 15.384 1.00 0.00 H new ATOM 1450 N ASP A 92 2.248 -2.830 11.845 1.00 0.00 N ATOM 1451 CA ASP A 92 3.680 -3.013 11.642 1.00 0.00 C ATOM 1452 C ASP A 92 4.378 -1.670 11.449 1.00 0.00 C ATOM 1453 O ASP A 92 5.233 -1.283 12.247 1.00 0.00 O ATOM 1454 CB ASP A 92 3.935 -3.913 10.432 1.00 0.00 C ATOM 1455 CG ASP A 92 3.973 -5.383 10.800 1.00 0.00 C ATOM 1456 OD1 ASP A 92 3.305 -5.766 11.784 1.00 0.00 O ATOM 1457 OD2 ASP A 92 4.671 -6.150 10.105 1.00 0.00 O ATOM 0 H ASP A 92 1.670 -3.112 11.053 1.00 0.00 H new ATOM 0 HA ASP A 92 4.090 -3.490 12.532 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.154 -3.748 9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.881 -3.633 9.968 1.00 0.00 H new ATOM 1462 N CYS A 93 4.008 -0.965 10.386 1.00 0.00 N ATOM 1463 CA CYS A 93 4.600 0.334 10.086 1.00 0.00 C ATOM 1464 C CYS A 93 3.633 1.199 9.284 1.00 0.00 C ATOM 1465 O CYS A 93 2.564 0.743 8.882 1.00 0.00 O ATOM 1466 CB CYS A 93 5.907 0.156 9.313 1.00 0.00 C ATOM 1467 SG CYS A 93 6.855 -1.307 9.791 1.00 0.00 S ATOM 0 H CYS A 93 3.301 -1.271 9.717 1.00 0.00 H new ATOM 0 HA CYS A 93 4.811 0.837 11.030 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.682 0.097 8.248 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.526 1.041 9.460 1.00 0.00 H new ATOM 0 HG CYS A 93 6.675 -1.546 11.056 1.00 0.00 H new ATOM 1473 N GLU A 94 4.018 2.452 9.057 1.00 0.00 N ATOM 1474 CA GLU A 94 3.183 3.381 8.305 1.00 0.00 C ATOM 1475 C GLU A 94 3.706 3.552 6.881 1.00 0.00 C ATOM 1476 O GLU A 94 4.894 3.364 6.618 1.00 0.00 O ATOM 1477 CB GLU A 94 3.133 4.739 9.008 1.00 0.00 C ATOM 1478 CG GLU A 94 1.987 4.871 9.997 1.00 0.00 C ATOM 1479 CD GLU A 94 2.374 4.438 11.398 1.00 0.00 C ATOM 1480 OE1 GLU A 94 2.930 3.329 11.543 1.00 0.00 O ATOM 1481 OE2 GLU A 94 2.120 5.207 12.348 1.00 0.00 O ATOM 0 H GLU A 94 4.901 2.846 9.383 1.00 0.00 H new ATOM 0 HA GLU A 94 2.176 2.967 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.075 4.902 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.046 5.524 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.650 5.907 10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.145 4.270 9.654 1.00 0.00 H new ATOM 1488 N CYS A 95 2.810 3.909 5.967 1.00 0.00 N ATOM 1489 CA CYS A 95 3.179 4.104 4.570 1.00 0.00 C ATOM 1490 C CYS A 95 2.055 4.789 3.801 1.00 0.00 C ATOM 1491 O CYS A 95 0.895 4.754 4.214 1.00 0.00 O ATOM 1492 CB CYS A 95 3.516 2.762 3.918 1.00 0.00 C ATOM 1493 SG CYS A 95 2.073 1.733 3.559 1.00 0.00 S ATOM 0 H CYS A 95 1.823 4.069 6.169 1.00 0.00 H new ATOM 0 HA CYS A 95 4.059 4.746 4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.057 2.947 2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.188 2.210 4.575 1.00 0.00 H new ATOM 0 HG CYS A 95 1.845 1.736 2.279 1.00 0.00 H new ATOM 1499 N LEU A 96 2.405 5.412 2.681 1.00 0.00 N ATOM 1500 CA LEU A 96 1.425 6.108 1.854 1.00 0.00 C ATOM 1501 C LEU A 96 1.182 5.356 0.549 1.00 0.00 C ATOM 1502 O LEU A 96 1.946 4.462 0.184 1.00 0.00 O ATOM 1503 CB LEU A 96 1.899 7.531 1.555 1.00 0.00 C ATOM 1504 CG LEU A 96 1.510 8.597 2.580 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.465 9.779 2.509 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.076 9.053 2.357 1.00 0.00 C ATOM 0 H LEU A 96 3.360 5.449 2.325 1.00 0.00 H new ATOM 0 HA LEU A 96 0.486 6.153 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.985 7.520 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.503 7.828 0.584 1.00 0.00 H new ATOM 0 HG LEU A 96 1.580 8.159 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.173 10.528 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.480 9.440 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.428 10.217 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.184 9.812 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.021 9.473 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.597 8.202 2.460 1.00 0.00 H new ATOM 1518 N PHE A 97 0.114 5.725 -0.151 1.00 0.00 N ATOM 1519 CA PHE A 97 -0.229 5.087 -1.416 1.00 0.00 C ATOM 1520 C PHE A 97 -0.945 6.065 -2.342 1.00 0.00 C ATOM 1521 O PHE A 97 -1.963 6.651 -1.974 1.00 0.00 O ATOM 1522 CB PHE A 97 -1.111 3.861 -1.170 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.377 2.710 -0.544 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.641 2.065 -1.228 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.704 2.272 0.730 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.319 1.006 -0.655 1.00 0.00 C ATOM 1527 CE2 PHE A 97 -0.029 1.214 1.309 1.00 0.00 C ATOM 1528 CZ PHE A 97 0.982 0.579 0.615 1.00 0.00 C ATOM 0 H PHE A 97 -0.529 6.463 0.137 1.00 0.00 H new ATOM 0 HA PHE A 97 0.696 4.770 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.942 4.145 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.540 3.536 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.908 2.394 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.495 2.763 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.111 0.513 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.292 0.884 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.508 -0.250 1.064 1.00 0.00 H new ATOM 1538 N GLN A 98 -0.405 6.235 -3.545 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.992 7.143 -4.523 1.00 0.00 C ATOM 1540 C GLN A 98 -1.498 6.378 -5.741 1.00 0.00 C ATOM 1541 O GLN A 98 -1.000 5.298 -6.059 1.00 0.00 O ATOM 1542 CB GLN A 98 0.034 8.193 -4.956 1.00 0.00 C ATOM 1543 CG GLN A 98 -0.524 9.227 -5.919 1.00 0.00 C ATOM 1544 CD GLN A 98 0.440 10.371 -6.169 1.00 0.00 C ATOM 1545 OE1 GLN A 98 1.581 10.348 -5.709 1.00 0.00 O ATOM 1546 NE2 GLN A 98 -0.016 11.380 -6.902 1.00 0.00 N ATOM 0 H GLN A 98 0.437 5.756 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.839 7.644 -4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.416 8.702 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.880 7.691 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.763 8.744 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.457 9.624 -5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.970 11.358 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.587 12.177 -7.104 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.491 6.944 -6.419 1.00 0.00 N ATOM 1556 CA ALA A 99 -3.064 6.316 -7.603 1.00 0.00 C ATOM 1557 C ALA A 99 -2.984 7.244 -8.810 1.00 0.00 C ATOM 1558 O ALA A 99 -2.591 8.403 -8.687 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.507 5.911 -7.340 1.00 0.00 C ATOM 0 H ALA A 99 -2.916 7.837 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.483 5.422 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.922 5.443 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.541 5.204 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.093 6.795 -7.088 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.360 6.726 -9.975 1.00 0.00 N ATOM 1566 CA GLU A 100 -3.330 7.510 -11.204 1.00 0.00 C ATOM 1567 C GLU A 100 -4.524 8.457 -11.276 1.00 0.00 C ATOM 1568 O GLU A 100 -4.360 9.675 -11.348 1.00 0.00 O ATOM 1569 CB GLU A 100 -3.323 6.586 -12.424 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.731 5.215 -12.147 1.00 0.00 C ATOM 1571 CD GLU A 100 -2.478 4.421 -13.414 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -2.261 5.048 -14.472 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -2.498 3.174 -13.347 1.00 0.00 O ATOM 0 H GLU A 100 -3.689 5.768 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.417 8.105 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.345 6.465 -12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.758 7.061 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.794 5.331 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.407 4.655 -11.501 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.724 7.888 -11.255 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.947 8.680 -11.317 1.00 0.00 C ATOM 1582 C ASP A 101 -7.830 8.413 -10.102 1.00 0.00 C ATOM 1583 O ASP A 101 -7.691 7.388 -9.436 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.717 8.369 -12.601 1.00 0.00 C ATOM 1585 CG ASP A 101 -8.537 9.549 -13.085 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -9.627 9.785 -12.522 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -8.089 10.236 -14.026 1.00 0.00 O ATOM 0 H ASP A 101 -5.876 6.881 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.668 9.734 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.014 8.075 -13.380 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.376 7.518 -12.429 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.736 9.343 -9.820 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.640 9.209 -8.683 1.00 0.00 C ATOM 1594 C ARG A 102 -10.147 7.776 -8.558 1.00 0.00 C ATOM 1595 O ARG A 102 -9.856 7.087 -7.579 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.822 10.169 -8.829 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.769 10.154 -7.640 1.00 0.00 C ATOM 1598 CD ARG A 102 -12.617 11.414 -7.588 1.00 0.00 C ATOM 1599 NE ARG A 102 -13.425 11.481 -6.372 1.00 0.00 N ATOM 1600 CZ ARG A 102 -14.563 10.815 -6.209 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -15.025 10.037 -7.178 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -15.241 10.927 -5.074 1.00 0.00 N ATOM 0 H ARG A 102 -8.864 10.197 -10.363 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.086 9.460 -7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.442 11.181 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.379 9.912 -9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -12.417 9.280 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -11.195 10.062 -6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.969 12.289 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.271 11.447 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.098 12.071 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.506 9.948 -8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.899 9.527 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.889 11.525 -4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.115 10.416 -4.949 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.905 7.333 -9.555 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.452 5.981 -9.557 1.00 0.00 C ATOM 1618 C ASP A 103 -10.440 4.984 -9.001 1.00 0.00 C ATOM 1619 O ASP A 103 -10.743 4.224 -8.081 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.861 5.575 -10.974 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.956 6.460 -11.536 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -12.885 7.691 -11.338 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.884 5.921 -12.175 1.00 0.00 O ATOM 0 H ASP A 103 -11.155 7.890 -10.372 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.334 5.972 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.990 5.620 -11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.202 4.540 -10.968 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.238 4.992 -9.566 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.180 4.089 -9.127 1.00 0.00 C ATOM 1630 C ASP A 104 -7.864 4.300 -7.650 1.00 0.00 C ATOM 1631 O ASP A 104 -7.631 3.342 -6.913 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.919 4.300 -9.966 1.00 0.00 C ATOM 1633 CG ASP A 104 -7.107 3.877 -11.410 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -8.126 4.270 -12.015 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -6.235 3.153 -11.935 1.00 0.00 O ATOM 0 H ASP A 104 -8.972 5.614 -10.329 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.530 3.066 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.636 5.352 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.096 3.734 -9.529 1.00 0.00 H new ATOM 1640 N MET A 105 -7.858 5.559 -7.225 1.00 0.00 N ATOM 1641 CA MET A 105 -7.570 5.894 -5.835 1.00 0.00 C ATOM 1642 C MET A 105 -8.627 5.308 -4.904 1.00 0.00 C ATOM 1643 O MET A 105 -8.304 4.593 -3.954 1.00 0.00 O ATOM 1644 CB MET A 105 -7.504 7.412 -5.658 1.00 0.00 C ATOM 1645 CG MET A 105 -7.086 7.844 -4.261 1.00 0.00 C ATOM 1646 SD MET A 105 -8.494 8.108 -3.166 1.00 0.00 S ATOM 1647 CE MET A 105 -9.067 9.708 -3.731 1.00 0.00 C ATOM 0 H MET A 105 -8.049 6.363 -7.822 1.00 0.00 H new ATOM 0 HA MET A 105 -6.603 5.462 -5.576 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.801 7.824 -6.382 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.481 7.839 -5.884 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.433 7.085 -3.830 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.505 8.764 -4.328 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.904 10.034 -3.113 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.256 10.432 -3.655 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.390 9.633 -4.769 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.889 5.614 -5.182 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.994 5.117 -4.370 1.00 0.00 C ATOM 1659 C LEU A 106 -11.037 3.592 -4.383 1.00 0.00 C ATOM 1660 O LEU A 106 -11.070 2.953 -3.332 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.322 5.681 -4.879 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.721 7.053 -4.335 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -11.486 7.871 -3.992 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -13.592 7.792 -5.340 1.00 0.00 C ATOM 0 H LEU A 106 -10.173 6.204 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.836 5.449 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.274 5.743 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.113 4.972 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.299 6.907 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.790 8.844 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.901 7.347 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.880 8.009 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -13.867 8.766 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.040 7.927 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -14.494 7.213 -5.535 1.00 0.00 H new ATOM 1676 N ALA A 107 -11.035 3.016 -5.581 1.00 0.00 N ATOM 1677 CA ALA A 107 -11.070 1.567 -5.731 1.00 0.00 C ATOM 1678 C ALA A 107 -10.161 0.887 -4.712 1.00 0.00 C ATOM 1679 O ALA A 107 -10.584 -0.024 -4.000 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.668 1.173 -7.145 1.00 0.00 C ATOM 0 H ALA A 107 -11.010 3.531 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.091 1.232 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.699 0.088 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.360 1.621 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.657 1.527 -7.348 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.912 1.335 -4.649 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.944 0.769 -3.717 1.00 0.00 C ATOM 1688 C TRP A 108 -8.449 0.865 -2.282 1.00 0.00 C ATOM 1689 O TRP A 108 -8.644 -0.151 -1.614 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.600 1.488 -3.847 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.684 0.858 -4.852 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.364 1.345 -6.087 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.973 -0.376 -4.708 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.496 0.488 -6.720 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.240 -0.575 -5.895 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.882 -1.332 -3.693 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.429 -1.690 -6.091 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.077 -2.438 -3.889 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.359 -2.609 -5.080 1.00 0.00 C ATOM 0 H TRP A 108 -8.546 2.088 -5.232 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.811 -0.284 -3.965 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.777 2.526 -4.128 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.107 1.501 -2.875 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.738 2.268 -6.505 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.106 0.622 -7.653 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.431 -1.209 -2.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.875 -1.824 -7.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.000 -3.183 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.738 -3.484 -5.202 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.661 2.090 -1.814 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.145 2.317 -0.458 1.00 0.00 C ATOM 1712 C ILE A 109 -10.219 1.302 -0.081 1.00 0.00 C ATOM 1713 O ILE A 109 -10.114 0.619 0.938 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.717 3.737 -0.294 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.587 4.770 -0.308 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.520 3.840 0.994 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.036 6.150 -0.734 1.00 0.00 C ATOM 0 H ILE A 109 -8.505 2.941 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.288 2.201 0.206 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.383 3.943 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.149 4.831 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.801 4.428 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.918 4.850 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.344 3.127 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.875 3.617 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.184 6.830 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.448 6.104 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.800 6.512 -0.046 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.253 1.207 -0.911 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.346 0.274 -0.668 1.00 0.00 C ATOM 1731 C LYS A 110 -11.818 -1.142 -0.463 1.00 0.00 C ATOM 1732 O LYS A 110 -11.924 -1.705 0.627 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.333 0.297 -1.837 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.338 -0.841 -1.808 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.158 -0.894 -3.086 1.00 0.00 C ATOM 1736 CE LYS A 110 -14.353 -1.468 -4.241 1.00 0.00 C ATOM 1737 NZ LYS A 110 -15.232 -1.985 -5.327 1.00 0.00 N ATOM 0 H LYS A 110 -11.356 1.766 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.861 0.586 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.870 1.245 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.776 0.254 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -13.814 -1.787 -1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -15.003 -0.719 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.048 -1.502 -2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.500 0.109 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -13.694 -0.698 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -13.716 -2.273 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -14.645 -2.368 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.843 -2.737 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -15.822 -1.211 -5.694 1.00 0.00 H new ATOM 1751 N THR A 111 -11.245 -1.714 -1.518 1.00 0.00 N ATOM 1752 CA THR A 111 -10.700 -3.064 -1.454 1.00 0.00 C ATOM 1753 C THR A 111 -9.969 -3.299 -0.137 1.00 0.00 C ATOM 1754 O THR A 111 -10.358 -4.159 0.654 1.00 0.00 O ATOM 1755 CB THR A 111 -9.731 -3.334 -2.620 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.408 -3.162 -3.870 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.162 -4.742 -2.536 1.00 0.00 C ATOM 0 H THR A 111 -11.147 -1.262 -2.427 1.00 0.00 H new ATOM 0 HA THR A 111 -11.544 -3.750 -1.526 1.00 0.00 H new ATOM 0 HB THR A 111 -8.909 -2.622 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.507 -2.206 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.480 -4.909 -3.370 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.622 -4.861 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.975 -5.466 -2.581 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.910 -2.531 0.093 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.127 -2.655 1.316 1.00 0.00 C ATOM 1767 C ILE A 112 -9.014 -2.535 2.551 1.00 0.00 C ATOM 1768 O ILE A 112 -9.138 -3.478 3.331 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.020 -1.588 1.387 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.127 -1.664 0.147 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.194 -1.764 2.652 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.517 -0.336 -0.242 1.00 0.00 C ATOM 0 H ILE A 112 -8.574 -1.816 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.666 -3.643 1.297 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.487 -0.604 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.328 -2.382 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.713 -2.044 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.416 -1.002 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.839 -1.664 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.734 -2.752 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.897 -0.466 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.310 0.380 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.903 0.037 0.578 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.628 -1.369 2.720 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.504 -1.126 3.860 1.00 0.00 C ATOM 1786 C GLN A 113 -11.400 -2.331 4.125 1.00 0.00 C ATOM 1787 O GLN A 113 -11.646 -2.693 5.275 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.361 0.118 3.616 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.674 1.416 4.008 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.658 2.506 4.386 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.768 2.226 4.838 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.255 3.758 4.201 1.00 0.00 N ATOM 0 H GLN A 113 -9.535 -0.578 2.083 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.879 -0.961 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.629 0.163 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.291 0.025 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.004 1.229 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.057 1.761 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.326 3.944 3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.875 4.533 4.436 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.886 -2.948 3.052 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.756 -4.112 3.169 1.00 0.00 C ATOM 1803 C GLU A 114 -11.999 -5.300 3.756 1.00 0.00 C ATOM 1804 O GLU A 114 -12.506 -6.001 4.631 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.333 -4.485 1.802 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.556 -3.670 1.414 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.830 -4.192 2.049 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -15.812 -4.488 3.262 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.847 -4.303 1.332 1.00 0.00 O ATOM 0 H GLU A 114 -11.692 -2.661 2.093 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.574 -3.856 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.562 -4.351 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.598 -5.542 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.405 -2.632 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.665 -3.679 0.329 1.00 0.00 H new ATOM 1816 N SER A 115 -10.784 -5.520 3.265 1.00 0.00 N ATOM 1817 CA SER A 115 -9.958 -6.625 3.737 1.00 0.00 C ATOM 1818 C SER A 115 -9.686 -6.501 5.233 1.00 0.00 C ATOM 1819 O SER A 115 -9.658 -7.498 5.955 1.00 0.00 O ATOM 1820 CB SER A 115 -8.636 -6.666 2.968 1.00 0.00 C ATOM 1821 OG SER A 115 -8.805 -7.257 1.691 1.00 0.00 O ATOM 0 H SER A 115 -10.350 -4.948 2.541 1.00 0.00 H new ATOM 0 HA SER A 115 -10.502 -7.553 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.246 -5.654 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.898 -7.230 3.538 1.00 0.00 H new ATOM 0 HG SER A 115 -8.125 -7.950 1.559 1.00 0.00 H new ATOM 1827 N SER A 116 -9.486 -5.270 5.691 1.00 0.00 N ATOM 1828 CA SER A 116 -9.213 -5.013 7.100 1.00 0.00 C ATOM 1829 C SER A 116 -10.502 -5.036 7.917 1.00 0.00 C ATOM 1830 O SER A 116 -10.536 -5.560 9.029 1.00 0.00 O ATOM 1831 CB SER A 116 -8.513 -3.664 7.269 1.00 0.00 C ATOM 1832 OG SER A 116 -9.314 -2.607 6.769 1.00 0.00 O ATOM 0 H SER A 116 -9.508 -4.434 5.107 1.00 0.00 H new ATOM 0 HA SER A 116 -8.557 -5.803 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.296 -3.493 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.557 -3.679 6.746 1.00 0.00 H new ATOM 0 HG SER A 116 -9.990 -2.969 6.159 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.561 -4.462 7.355 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.852 -4.415 8.030 1.00 0.00 C ATOM 1840 C ASN A 117 -13.145 -5.735 8.737 1.00 0.00 C ATOM 1841 O ASN A 117 -12.837 -6.810 8.221 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.965 -4.103 7.026 1.00 0.00 C ATOM 1843 CG ASN A 117 -15.176 -3.470 7.683 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -15.083 -2.393 8.273 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -16.319 -4.137 7.585 1.00 0.00 N ATOM 0 H ASN A 117 -11.550 -4.023 6.434 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.814 -3.623 8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.580 -3.432 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -14.266 -5.023 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -17.167 -3.760 8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -16.349 -5.026 7.086 1.00 0.00 H new