USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 768 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 66 GLN : amide:sc= 1.19 K(o=1.6,f=-0.33) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.331 K(o=1.6,f=4.4) USER MOD Set 1.3: A 79 SER OG : rot 106:sc= 0.751 USER MOD Single : A 15 SER OG : rot 88:sc= 0.458 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0071 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 60 CYS SG : rot 13:sc= -1.1 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 30:sc= -0.0137 USER MOD Single : A 73 HIS : no HD1:sc= -0.457 K(o=-0.46,f=0.079) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 90 GLN : amide:sc= -0.873 K(o=-0.87,f=-9.6!) USER MOD Single : A 92 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 93 THR OG1 : rot 69:sc= 0.509 USER MOD Single : A 96 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 100 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-1.2!) USER MOD Single : A 103 LYS NZ :NH3+ 156:sc= 0.28 (180deg=-0.171) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -132:sc= -0.433 (180deg=-2.04) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.606 23.038 4.049 1.00 0.00 N ATOM 109 CA TRP A 11 0.223 21.672 3.710 1.00 0.00 C ATOM 110 C TRP A 11 1.014 20.664 4.537 1.00 0.00 C ATOM 111 O TRP A 11 2.241 20.610 4.460 1.00 0.00 O ATOM 112 CB TRP A 11 0.445 21.413 2.219 1.00 0.00 C ATOM 113 CG TRP A 11 -0.489 20.390 1.649 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.380 19.618 2.338 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.623 20.026 0.270 1.00 0.00 C ATOM 116 NE1 TRP A 11 -2.060 18.796 1.472 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.615 19.028 0.198 1.00 0.00 C ATOM 118 CE3 TRP A 11 -0.003 20.447 -0.909 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.997 18.446 -1.008 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.384 19.868 -2.105 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.374 18.877 -2.147 1.00 0.00 C ATOM 0 HA TRP A 11 -0.836 21.551 3.939 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.325 22.349 1.673 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.472 21.083 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.529 19.649 3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.779 18.122 1.735 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.760 21.211 -0.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.759 17.681 -1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.089 20.185 -3.023 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.651 18.445 -3.097 1.00 0.00 H new ATOM 132 N VAL A 12 0.303 19.867 5.328 1.00 0.00 N ATOM 133 CA VAL A 12 0.939 18.859 6.169 1.00 0.00 C ATOM 134 C VAL A 12 1.415 17.672 5.339 1.00 0.00 C ATOM 135 O VAL A 12 2.379 16.996 5.699 1.00 0.00 O ATOM 136 CB VAL A 12 -0.019 18.355 7.264 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.243 17.699 6.642 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.698 17.390 8.196 1.00 0.00 C ATOM 0 H VAL A 12 -0.714 19.899 5.404 1.00 0.00 H new ATOM 0 HA VAL A 12 1.798 19.337 6.641 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.354 19.210 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.909 17.349 7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.768 18.424 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.931 16.853 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.006 17.044 8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.063 16.536 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.539 17.897 8.668 1.00 0.00 H new ATOM 148 N LEU A 13 0.734 17.425 4.226 1.00 0.00 N ATOM 149 CA LEU A 13 1.087 16.318 3.343 1.00 0.00 C ATOM 150 C LEU A 13 2.589 16.290 3.080 1.00 0.00 C ATOM 151 O LEU A 13 3.279 15.318 3.389 1.00 0.00 O ATOM 152 CB LEU A 13 0.328 16.434 2.020 1.00 0.00 C ATOM 153 CG LEU A 13 1.064 15.930 0.778 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.293 14.429 0.866 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.285 16.280 -0.482 1.00 0.00 C ATOM 0 H LEU A 13 -0.066 17.976 3.913 1.00 0.00 H new ATOM 0 HA LEU A 13 0.806 15.387 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.608 15.883 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.068 17.481 1.864 1.00 0.00 H new ATOM 0 HG LEU A 13 2.035 16.423 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.818 14.088 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.892 14.203 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.333 13.918 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.823 15.914 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.700 15.815 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.173 17.362 -0.552 1.00 0.00 H new ATOM 167 N PRO A 14 3.109 17.380 2.498 1.00 0.00 N ATOM 168 CA PRO A 14 4.535 17.506 2.183 1.00 0.00 C ATOM 169 C PRO A 14 5.395 17.644 3.435 1.00 0.00 C ATOM 170 O PRO A 14 6.616 17.501 3.380 1.00 0.00 O ATOM 171 CB PRO A 14 4.602 18.785 1.345 1.00 0.00 C ATOM 172 CG PRO A 14 3.415 19.578 1.768 1.00 0.00 C ATOM 173 CD PRO A 14 2.345 18.576 2.103 1.00 0.00 C ATOM 0 HA PRO A 14 4.918 16.624 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.528 19.330 1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.569 18.562 0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.650 20.201 2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.088 20.246 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.704 18.928 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.700 18.376 1.248 1.00 0.00 H new ATOM 181 N SER A 15 4.750 17.922 4.563 1.00 0.00 N ATOM 182 CA SER A 15 5.456 18.082 5.829 1.00 0.00 C ATOM 183 C SER A 15 5.735 16.726 6.471 1.00 0.00 C ATOM 184 O SER A 15 6.646 16.590 7.287 1.00 0.00 O ATOM 185 CB SER A 15 4.641 18.954 6.785 1.00 0.00 C ATOM 186 OG SER A 15 4.576 20.293 6.325 1.00 0.00 O ATOM 0 H SER A 15 3.739 18.041 4.626 1.00 0.00 H new ATOM 0 HA SER A 15 6.409 18.571 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.633 18.550 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.090 18.929 7.778 1.00 0.00 H new ATOM 0 HG SER A 15 3.815 20.393 5.716 1.00 0.00 H new ATOM 192 N GLU A 16 4.943 15.727 6.096 1.00 0.00 N ATOM 193 CA GLU A 16 5.104 14.382 6.635 1.00 0.00 C ATOM 194 C GLU A 16 6.016 13.543 5.744 1.00 0.00 C ATOM 195 O GLU A 16 6.705 12.640 6.218 1.00 0.00 O ATOM 196 CB GLU A 16 3.742 13.699 6.776 1.00 0.00 C ATOM 197 CG GLU A 16 3.832 12.248 7.220 1.00 0.00 C ATOM 198 CD GLU A 16 2.486 11.549 7.205 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.615 11.956 6.408 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.305 10.594 7.989 1.00 0.00 O ATOM 0 H GLU A 16 4.184 15.823 5.422 1.00 0.00 H new ATOM 0 HA GLU A 16 5.565 14.466 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.139 14.254 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.221 13.746 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.522 11.714 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.248 12.205 8.226 1.00 0.00 H new ATOM 207 N VAL A 17 6.014 13.850 4.451 1.00 0.00 N ATOM 208 CA VAL A 17 6.841 13.126 3.493 1.00 0.00 C ATOM 209 C VAL A 17 8.315 13.193 3.877 1.00 0.00 C ATOM 210 O VAL A 17 8.959 12.166 4.087 1.00 0.00 O ATOM 211 CB VAL A 17 6.667 13.683 2.067 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.587 12.960 1.095 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.216 13.571 1.625 1.00 0.00 C ATOM 0 H VAL A 17 5.449 14.595 4.043 1.00 0.00 H new ATOM 0 HA VAL A 17 6.511 12.087 3.512 1.00 0.00 H new ATOM 0 HB VAL A 17 6.941 14.738 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.450 13.367 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.623 13.098 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.348 11.897 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.111 13.969 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.912 12.524 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.583 14.139 2.307 1.00 0.00 H new ATOM 223 N GLU A 18 8.842 14.410 3.967 1.00 0.00 N ATOM 224 CA GLU A 18 10.241 14.612 4.326 1.00 0.00 C ATOM 225 C GLU A 18 10.631 13.731 5.510 1.00 0.00 C ATOM 226 O GLU A 18 11.750 13.223 5.578 1.00 0.00 O ATOM 227 CB GLU A 18 10.497 16.082 4.664 1.00 0.00 C ATOM 228 CG GLU A 18 10.020 16.480 6.051 1.00 0.00 C ATOM 229 CD GLU A 18 10.256 17.947 6.350 1.00 0.00 C ATOM 230 OE1 GLU A 18 9.964 18.787 5.473 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.733 18.256 7.462 1.00 0.00 O ATOM 0 H GLU A 18 8.322 15.271 3.796 1.00 0.00 H new ATOM 0 HA GLU A 18 10.854 14.332 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.565 16.284 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.999 16.708 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.956 16.261 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.535 15.874 6.796 1.00 0.00 H new ATOM 238 N VAL A 19 9.699 13.554 6.441 1.00 0.00 N ATOM 239 CA VAL A 19 9.944 12.735 7.622 1.00 0.00 C ATOM 240 C VAL A 19 9.885 11.250 7.282 1.00 0.00 C ATOM 241 O VAL A 19 10.753 10.474 7.686 1.00 0.00 O ATOM 242 CB VAL A 19 8.923 13.036 8.735 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.166 12.139 9.939 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.984 14.503 9.132 1.00 0.00 C ATOM 0 H VAL A 19 8.767 13.967 6.400 1.00 0.00 H new ATOM 0 HA VAL A 19 10.943 12.984 7.979 1.00 0.00 H new ATOM 0 HB VAL A 19 7.924 12.828 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.435 12.366 10.715 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.067 11.095 9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.171 12.312 10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.256 14.697 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.984 14.740 9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.756 15.124 8.266 1.00 0.00 H new ATOM 254 N LEU A 20 8.858 10.859 6.536 1.00 0.00 N ATOM 255 CA LEU A 20 8.686 9.466 6.140 1.00 0.00 C ATOM 256 C LEU A 20 9.896 8.970 5.354 1.00 0.00 C ATOM 257 O LEU A 20 10.542 7.997 5.741 1.00 0.00 O ATOM 258 CB LEU A 20 7.418 9.306 5.300 1.00 0.00 C ATOM 259 CG LEU A 20 6.095 9.526 6.034 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.953 9.684 5.041 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.817 8.374 6.989 1.00 0.00 C ATOM 0 H LEU A 20 8.131 11.487 6.193 1.00 0.00 H new ATOM 0 HA LEU A 20 8.592 8.866 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.468 10.005 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.412 8.302 4.875 1.00 0.00 H new ATOM 0 HG LEU A 20 6.173 10.444 6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.020 9.840 5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.147 10.542 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.873 8.784 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.871 8.547 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.759 7.442 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.621 8.307 7.722 1.00 0.00 H new ATOM 273 N GLU A 21 10.196 9.647 4.250 1.00 0.00 N ATOM 274 CA GLU A 21 11.330 9.275 3.411 1.00 0.00 C ATOM 275 C GLU A 21 12.512 8.822 4.263 1.00 0.00 C ATOM 276 O GLU A 21 13.109 7.776 4.009 1.00 0.00 O ATOM 277 CB GLU A 21 11.746 10.452 2.527 1.00 0.00 C ATOM 278 CG GLU A 21 10.672 10.882 1.541 1.00 0.00 C ATOM 279 CD GLU A 21 11.214 11.772 0.439 1.00 0.00 C ATOM 280 OE1 GLU A 21 11.857 11.239 -0.490 1.00 0.00 O ATOM 281 OE2 GLU A 21 10.997 12.999 0.506 1.00 0.00 O ATOM 0 H GLU A 21 9.671 10.455 3.916 1.00 0.00 H new ATOM 0 HA GLU A 21 11.022 8.444 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.004 11.299 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.646 10.181 1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.216 9.997 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.884 11.412 2.076 1.00 0.00 H new ATOM 288 N SER A 22 12.843 9.617 5.275 1.00 0.00 N ATOM 289 CA SER A 22 13.956 9.301 6.163 1.00 0.00 C ATOM 290 C SER A 22 13.882 7.852 6.633 1.00 0.00 C ATOM 291 O SER A 22 14.894 7.152 6.685 1.00 0.00 O ATOM 292 CB SER A 22 13.956 10.241 7.370 1.00 0.00 C ATOM 293 OG SER A 22 15.013 9.928 8.261 1.00 0.00 O ATOM 0 H SER A 22 12.357 10.485 5.501 1.00 0.00 H new ATOM 0 HA SER A 22 14.883 9.437 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.055 11.272 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.002 10.167 7.892 1.00 0.00 H new ATOM 0 HG SER A 22 14.992 10.544 9.023 1.00 0.00 H new ATOM 299 N ILE A 23 12.677 7.408 6.974 1.00 0.00 N ATOM 300 CA ILE A 23 12.470 6.042 7.439 1.00 0.00 C ATOM 301 C ILE A 23 12.267 5.088 6.267 1.00 0.00 C ATOM 302 O ILE A 23 12.995 4.106 6.120 1.00 0.00 O ATOM 303 CB ILE A 23 11.255 5.946 8.380 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.466 6.827 9.613 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.015 4.501 8.790 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.178 7.245 10.286 1.00 0.00 C ATOM 0 H ILE A 23 11.829 7.974 6.937 1.00 0.00 H new ATOM 0 HA ILE A 23 13.368 5.756 7.987 1.00 0.00 H new ATOM 0 HB ILE A 23 10.373 6.303 7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.084 6.289 10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.020 7.719 9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.153 4.450 9.455 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.825 3.898 7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.895 4.118 9.307 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.405 7.867 11.152 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.567 7.811 9.583 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.632 6.359 10.609 1.00 0.00 H new ATOM 318 N TYR A 24 11.276 5.384 5.434 1.00 0.00 N ATOM 319 CA TYR A 24 10.976 4.552 4.275 1.00 0.00 C ATOM 320 C TYR A 24 11.753 5.026 3.049 1.00 0.00 C ATOM 321 O TYR A 24 11.223 5.058 1.938 1.00 0.00 O ATOM 322 CB TYR A 24 9.476 4.572 3.980 1.00 0.00 C ATOM 323 CG TYR A 24 8.620 4.209 5.173 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.781 2.993 5.825 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.650 5.083 5.649 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.001 2.657 6.914 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.867 4.757 6.738 1.00 0.00 C ATOM 328 CZ TYR A 24 7.045 3.542 7.367 1.00 0.00 C ATOM 329 OH TYR A 24 6.267 3.212 8.453 1.00 0.00 O ATOM 0 H TYR A 24 10.666 6.195 5.540 1.00 0.00 H new ATOM 0 HA TYR A 24 11.280 3.531 4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.196 5.566 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.265 3.878 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.529 2.298 5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.506 6.034 5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.139 1.707 7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.119 5.449 7.096 1.00 0.00 H new ATOM 0 HH TYR A 24 5.644 3.944 8.644 1.00 0.00 H new ATOM 339 N LEU A 25 13.012 5.393 3.261 1.00 0.00 N ATOM 340 CA LEU A 25 13.864 5.865 2.175 1.00 0.00 C ATOM 341 C LEU A 25 13.562 5.115 0.881 1.00 0.00 C ATOM 342 O LEU A 25 13.133 5.710 -0.108 1.00 0.00 O ATOM 343 CB LEU A 25 15.338 5.694 2.545 1.00 0.00 C ATOM 344 CG LEU A 25 15.991 6.876 3.262 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.416 6.532 3.669 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.972 8.113 2.377 1.00 0.00 C ATOM 0 H LEU A 25 13.465 5.373 4.174 1.00 0.00 H new ATOM 0 HA LEU A 25 13.656 6.923 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.433 4.813 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.900 5.492 1.633 1.00 0.00 H new ATOM 0 HG LEU A 25 15.418 7.090 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.865 7.385 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.405 5.673 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.000 6.291 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.441 8.944 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.520 7.911 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.941 8.372 2.135 1.00 0.00 H new ATOM 358 N ASP A 26 13.788 3.806 0.896 1.00 0.00 N ATOM 359 CA ASP A 26 13.537 2.974 -0.275 1.00 0.00 C ATOM 360 C ASP A 26 12.163 2.318 -0.191 1.00 0.00 C ATOM 361 O ASP A 26 11.359 2.419 -1.118 1.00 0.00 O ATOM 362 CB ASP A 26 14.621 1.902 -0.406 1.00 0.00 C ATOM 363 CG ASP A 26 14.152 0.700 -1.204 1.00 0.00 C ATOM 364 OD1 ASP A 26 13.983 0.835 -2.434 1.00 0.00 O ATOM 365 OD2 ASP A 26 13.955 -0.374 -0.598 1.00 0.00 O ATOM 0 H ASP A 26 14.144 3.298 1.706 1.00 0.00 H new ATOM 0 HA ASP A 26 13.560 3.614 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.499 2.334 -0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.929 1.577 0.588 1.00 0.00 H new ATOM 370 N GLU A 27 11.901 1.645 0.925 1.00 0.00 N ATOM 371 CA GLU A 27 10.624 0.971 1.128 1.00 0.00 C ATOM 372 C GLU A 27 9.485 1.758 0.487 1.00 0.00 C ATOM 373 O GLU A 27 8.608 1.187 -0.164 1.00 0.00 O ATOM 374 CB GLU A 27 10.352 0.784 2.622 1.00 0.00 C ATOM 375 CG GLU A 27 11.427 -0.011 3.342 1.00 0.00 C ATOM 376 CD GLU A 27 11.037 -0.368 4.763 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.065 0.530 5.630 1.00 0.00 O ATOM 378 OE2 GLU A 27 10.702 -1.546 5.007 1.00 0.00 O ATOM 0 H GLU A 27 12.556 1.552 1.702 1.00 0.00 H new ATOM 0 HA GLU A 27 10.680 -0.008 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.261 1.764 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.394 0.280 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.631 -0.925 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.351 0.566 3.357 1.00 0.00 H new ATOM 385 N LEU A 28 9.504 3.073 0.675 1.00 0.00 N ATOM 386 CA LEU A 28 8.473 3.941 0.116 1.00 0.00 C ATOM 387 C LEU A 28 9.080 4.957 -0.847 1.00 0.00 C ATOM 388 O LEU A 28 10.246 5.329 -0.718 1.00 0.00 O ATOM 389 CB LEU A 28 7.727 4.667 1.237 1.00 0.00 C ATOM 390 CG LEU A 28 6.667 5.676 0.794 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.561 5.780 1.832 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.299 7.039 0.547 1.00 0.00 C ATOM 0 H LEU A 28 10.222 3.562 1.210 1.00 0.00 H new ATOM 0 HA LEU A 28 7.769 3.319 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.247 3.920 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.458 5.187 1.856 1.00 0.00 H new ATOM 0 HG LEU A 28 6.228 5.326 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.816 6.503 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.089 4.806 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.983 6.106 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.530 7.745 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.765 7.396 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.055 6.954 -0.234 1.00 0.00 H new ATOM 404 N GLN A 29 8.280 5.402 -1.810 1.00 0.00 N ATOM 405 CA GLN A 29 8.738 6.376 -2.794 1.00 0.00 C ATOM 406 C GLN A 29 7.702 7.477 -2.994 1.00 0.00 C ATOM 407 O GLN A 29 6.528 7.202 -3.241 1.00 0.00 O ATOM 408 CB GLN A 29 9.030 5.687 -4.128 1.00 0.00 C ATOM 409 CG GLN A 29 10.457 5.177 -4.250 1.00 0.00 C ATOM 410 CD GLN A 29 10.629 4.189 -5.387 1.00 0.00 C ATOM 411 OE1 GLN A 29 10.378 2.994 -5.229 1.00 0.00 O ATOM 412 NE2 GLN A 29 11.058 4.684 -6.542 1.00 0.00 N ATOM 0 H GLN A 29 7.312 5.104 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 29 9.655 6.829 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.342 4.851 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.833 6.387 -4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.129 6.022 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.750 4.702 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.254 5.681 -6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.192 4.067 -7.343 1.00 0.00 H new ATOM 421 N VAL A 30 8.144 8.726 -2.884 1.00 0.00 N ATOM 422 CA VAL A 30 7.255 9.869 -3.053 1.00 0.00 C ATOM 423 C VAL A 30 7.608 10.658 -4.309 1.00 0.00 C ATOM 424 O VAL A 30 8.781 10.894 -4.598 1.00 0.00 O ATOM 425 CB VAL A 30 7.314 10.811 -1.835 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.388 12.001 -2.035 1.00 0.00 C ATOM 427 CG2 VAL A 30 6.961 10.057 -0.562 1.00 0.00 C ATOM 0 H VAL A 30 9.112 8.972 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 30 6.244 9.473 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 30 8.332 11.187 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.443 12.655 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.692 12.553 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.364 11.648 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.008 10.737 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.953 9.651 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.669 9.242 -0.414 1.00 0.00 H new ATOM 437 N ILE A 31 6.584 11.065 -5.052 1.00 0.00 N ATOM 438 CA ILE A 31 6.785 11.829 -6.277 1.00 0.00 C ATOM 439 C ILE A 31 6.070 13.174 -6.210 1.00 0.00 C ATOM 440 O ILE A 31 4.869 13.265 -6.468 1.00 0.00 O ATOM 441 CB ILE A 31 6.286 11.056 -7.512 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.982 9.696 -7.604 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.526 11.866 -8.777 1.00 0.00 C ATOM 444 CD1 ILE A 31 6.430 8.668 -6.641 1.00 0.00 C ATOM 0 H ILE A 31 5.607 10.878 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 31 7.858 11.995 -6.372 1.00 0.00 H new ATOM 0 HB ILE A 31 5.214 10.889 -7.409 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.887 9.317 -8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.047 9.828 -7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.168 11.306 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.990 12.812 -8.710 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.593 12.061 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.970 7.729 -6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.549 9.026 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.372 8.507 -6.848 1.00 0.00 H new ATOM 569 N TRP A 40 -0.583 14.232 -5.422 1.00 0.00 N ATOM 570 CA TRP A 40 0.663 13.591 -5.017 1.00 0.00 C ATOM 571 C TRP A 40 0.549 12.073 -5.107 1.00 0.00 C ATOM 572 O TRP A 40 -0.518 11.508 -4.871 1.00 0.00 O ATOM 573 CB TRP A 40 1.032 14.003 -3.591 1.00 0.00 C ATOM 574 CG TRP A 40 1.611 15.383 -3.503 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.136 16.511 -4.108 1.00 0.00 C ATOM 576 CD2 TRP A 40 2.774 15.779 -2.768 1.00 0.00 C ATOM 577 NE1 TRP A 40 1.934 17.585 -3.793 1.00 0.00 N ATOM 578 CE2 TRP A 40 2.945 17.162 -2.972 1.00 0.00 C ATOM 579 CE3 TRP A 40 3.687 15.100 -1.955 1.00 0.00 C ATOM 580 CZ2 TRP A 40 3.992 17.875 -2.394 1.00 0.00 C ATOM 581 CZ3 TRP A 40 4.725 15.810 -1.383 1.00 0.00 C ATOM 582 CH2 TRP A 40 4.870 17.186 -1.603 1.00 0.00 C ATOM 0 HA TRP A 40 1.449 13.919 -5.698 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.143 13.949 -2.963 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.750 13.289 -3.188 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.262 16.553 -4.741 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.796 18.542 -4.118 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.583 14.040 -1.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.107 18.935 -2.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.437 15.295 -0.755 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.691 17.713 -1.139 1.00 0.00 H new ATOM 593 N GLU A 41 1.655 11.420 -5.450 1.00 0.00 N ATOM 594 CA GLU A 41 1.676 9.967 -5.571 1.00 0.00 C ATOM 595 C GLU A 41 2.767 9.363 -4.691 1.00 0.00 C ATOM 596 O GLU A 41 3.850 9.931 -4.550 1.00 0.00 O ATOM 597 CB GLU A 41 1.898 9.558 -7.029 1.00 0.00 C ATOM 598 CG GLU A 41 1.252 8.231 -7.393 1.00 0.00 C ATOM 599 CD GLU A 41 -0.167 8.393 -7.901 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.602 9.548 -8.090 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.843 7.364 -8.110 1.00 0.00 O ATOM 0 H GLU A 41 2.547 11.873 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 41 0.711 9.586 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.501 10.337 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.969 9.496 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.853 7.736 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.249 7.581 -6.518 1.00 0.00 H new ATOM 608 N ILE A 42 2.471 8.210 -4.100 1.00 0.00 N ATOM 609 CA ILE A 42 3.426 7.529 -3.234 1.00 0.00 C ATOM 610 C ILE A 42 3.316 6.015 -3.378 1.00 0.00 C ATOM 611 O ILE A 42 2.267 5.430 -3.108 1.00 0.00 O ATOM 612 CB ILE A 42 3.217 7.910 -1.757 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.473 9.405 -1.552 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.129 7.084 -0.863 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.715 9.993 -0.382 1.00 0.00 C ATOM 0 H ILE A 42 1.578 7.728 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 42 4.420 7.850 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 42 2.183 7.697 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.540 9.565 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.196 9.941 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.970 7.365 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.903 6.025 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.169 7.269 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.944 11.055 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.644 9.865 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.009 9.483 0.535 1.00 0.00 H new ATOM 627 N TYR A 43 4.406 5.386 -3.802 1.00 0.00 N ATOM 628 CA TYR A 43 4.432 3.939 -3.982 1.00 0.00 C ATOM 629 C TYR A 43 5.110 3.255 -2.798 1.00 0.00 C ATOM 630 O TYR A 43 5.864 3.882 -2.054 1.00 0.00 O ATOM 631 CB TYR A 43 5.160 3.579 -5.279 1.00 0.00 C ATOM 632 CG TYR A 43 4.661 4.341 -6.485 1.00 0.00 C ATOM 633 CD1 TYR A 43 5.164 5.598 -6.795 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.686 3.803 -7.317 1.00 0.00 C ATOM 635 CE1 TYR A 43 4.711 6.298 -7.896 1.00 0.00 C ATOM 636 CE2 TYR A 43 3.227 4.495 -8.421 1.00 0.00 C ATOM 637 CZ TYR A 43 3.742 5.742 -8.706 1.00 0.00 C ATOM 638 OH TYR A 43 3.289 6.436 -9.804 1.00 0.00 O ATOM 0 H TYR A 43 5.283 5.855 -4.028 1.00 0.00 H new ATOM 0 HA TYR A 43 3.402 3.587 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.225 3.772 -5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.049 2.510 -5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.923 6.036 -6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.280 2.827 -7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.113 7.275 -8.122 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.469 4.062 -9.057 1.00 0.00 H new ATOM 0 HH TYR A 43 2.609 5.905 -10.269 1.00 0.00 H new ATOM 648 N ILE A 44 4.834 1.966 -2.632 1.00 0.00 N ATOM 649 CA ILE A 44 5.418 1.196 -1.541 1.00 0.00 C ATOM 650 C ILE A 44 5.103 -0.289 -1.686 1.00 0.00 C ATOM 651 O ILE A 44 4.031 -0.664 -2.163 1.00 0.00 O ATOM 652 CB ILE A 44 4.909 1.685 -0.172 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.582 0.901 0.957 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.396 1.550 -0.089 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.425 1.544 2.317 1.00 0.00 C ATOM 0 H ILE A 44 4.210 1.433 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 44 6.497 1.343 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 44 5.166 2.738 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.163 -0.105 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.644 0.797 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.052 1.900 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.934 2.149 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.116 0.504 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.927 0.934 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.869 2.539 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.366 1.623 2.562 1.00 0.00 H new ATOM 667 N THR A 45 6.043 -1.132 -1.270 1.00 0.00 N ATOM 668 CA THR A 45 5.866 -2.576 -1.353 1.00 0.00 C ATOM 669 C THR A 45 5.606 -3.178 0.023 1.00 0.00 C ATOM 670 O THR A 45 6.325 -2.896 0.982 1.00 0.00 O ATOM 671 CB THR A 45 7.100 -3.258 -1.974 1.00 0.00 C ATOM 672 OG1 THR A 45 7.465 -2.596 -3.190 1.00 0.00 O ATOM 673 CG2 THR A 45 6.822 -4.727 -2.254 1.00 0.00 C ATOM 0 H THR A 45 6.935 -0.839 -0.872 1.00 0.00 H new ATOM 0 HA THR A 45 5.001 -2.752 -1.993 1.00 0.00 H new ATOM 0 HB THR A 45 7.923 -3.189 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.251 -3.034 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.707 -5.188 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.573 -5.234 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.987 -4.813 -2.949 1.00 0.00 H new ATOM 681 N LEU A 46 4.573 -4.009 0.114 1.00 0.00 N ATOM 682 CA LEU A 46 4.218 -4.652 1.374 1.00 0.00 C ATOM 683 C LEU A 46 4.079 -6.161 1.195 1.00 0.00 C ATOM 684 O LEU A 46 3.856 -6.647 0.086 1.00 0.00 O ATOM 685 CB LEU A 46 2.912 -4.069 1.917 1.00 0.00 C ATOM 686 CG LEU A 46 2.936 -2.581 2.269 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.552 -2.109 2.687 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.949 -2.311 3.372 1.00 0.00 C ATOM 0 H LEU A 46 3.967 -4.253 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 46 5.019 -4.461 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.129 -4.234 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.631 -4.628 2.809 1.00 0.00 H new ATOM 0 HG LEU A 46 3.236 -2.022 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.589 -1.048 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.851 -2.267 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.223 -2.673 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.953 -1.247 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.679 -2.881 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.941 -2.611 3.036 1.00 0.00 H new ATOM 700 N HIS A 47 4.210 -6.896 2.295 1.00 0.00 N ATOM 701 CA HIS A 47 4.096 -8.350 2.260 1.00 0.00 C ATOM 702 C HIS A 47 3.768 -8.903 3.644 1.00 0.00 C ATOM 703 O HIS A 47 4.081 -8.299 4.670 1.00 0.00 O ATOM 704 CB HIS A 47 5.394 -8.972 1.744 1.00 0.00 C ATOM 705 CG HIS A 47 6.615 -8.501 2.472 1.00 0.00 C ATOM 706 ND1 HIS A 47 6.998 -8.999 3.699 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.541 -7.572 2.139 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.107 -8.396 4.090 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.457 -7.525 3.160 1.00 0.00 N ATOM 0 H HIS A 47 4.395 -6.509 3.221 1.00 0.00 H new ATOM 0 HA HIS A 47 3.283 -8.610 1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.326 -10.057 1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.501 -8.741 0.684 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.556 -6.978 1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.637 -8.583 5.012 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.275 -6.917 3.195 1.00 0.00 H new ATOM 871 N VAL A 59 4.024 -13.850 -2.304 1.00 0.00 N ATOM 872 CA VAL A 59 2.896 -12.930 -2.384 1.00 0.00 C ATOM 873 C VAL A 59 3.326 -11.503 -2.064 1.00 0.00 C ATOM 874 O VAL A 59 3.930 -11.245 -1.021 1.00 0.00 O ATOM 875 CB VAL A 59 1.766 -13.342 -1.421 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.333 -13.709 -0.058 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.739 -12.227 -1.297 1.00 0.00 C ATOM 0 HA VAL A 59 2.525 -12.973 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 59 1.267 -14.221 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.520 -13.997 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.027 -14.542 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.858 -12.851 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.052 -12.535 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.222 -11.329 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.310 -12.017 -2.277 1.00 0.00 H new ATOM 887 N CYS A 60 3.013 -10.580 -2.966 1.00 0.00 N ATOM 888 CA CYS A 60 3.367 -9.178 -2.780 1.00 0.00 C ATOM 889 C CYS A 60 2.485 -8.275 -3.636 1.00 0.00 C ATOM 890 O CYS A 60 1.957 -8.700 -4.664 1.00 0.00 O ATOM 891 CB CYS A 60 4.839 -8.952 -3.128 1.00 0.00 C ATOM 892 SG CYS A 60 5.610 -7.585 -2.230 1.00 0.00 S ATOM 0 H CYS A 60 2.515 -10.777 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 60 3.205 -8.924 -1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.394 -9.867 -2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.923 -8.763 -4.198 1.00 0.00 H new ATOM 0 HG CYS A 60 4.834 -7.213 -1.256 1.00 0.00 H new ATOM 898 N PHE A 61 2.329 -7.028 -3.206 1.00 0.00 N ATOM 899 CA PHE A 61 1.508 -6.066 -3.932 1.00 0.00 C ATOM 900 C PHE A 61 2.033 -4.646 -3.736 1.00 0.00 C ATOM 901 O PHE A 61 2.565 -4.308 -2.678 1.00 0.00 O ATOM 902 CB PHE A 61 0.053 -6.152 -3.468 1.00 0.00 C ATOM 903 CG PHE A 61 -0.229 -5.354 -2.227 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.490 -3.995 -2.306 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.235 -5.962 -0.982 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.749 -3.258 -1.166 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.493 -5.230 0.162 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.752 -3.877 0.069 1.00 0.00 C ATOM 0 H PHE A 61 2.760 -6.659 -2.358 1.00 0.00 H new ATOM 0 HA PHE A 61 1.559 -6.311 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.597 -5.803 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.200 -7.196 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.491 -3.507 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.036 -7.021 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.949 -2.199 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.492 -5.716 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.957 -3.303 0.961 1.00 0.00 H new ATOM 918 N THR A 62 1.880 -3.818 -4.765 1.00 0.00 N ATOM 919 CA THR A 62 2.339 -2.436 -4.708 1.00 0.00 C ATOM 920 C THR A 62 1.220 -1.503 -4.257 1.00 0.00 C ATOM 921 O THR A 62 0.196 -1.374 -4.930 1.00 0.00 O ATOM 922 CB THR A 62 2.866 -1.963 -6.076 1.00 0.00 C ATOM 923 OG1 THR A 62 3.841 -2.888 -6.571 1.00 0.00 O ATOM 924 CG2 THR A 62 3.484 -0.577 -5.967 1.00 0.00 C ATOM 0 H THR A 62 1.442 -4.081 -5.648 1.00 0.00 H new ATOM 0 HA THR A 62 3.151 -2.402 -3.982 1.00 0.00 H new ATOM 0 HB THR A 62 2.026 -1.916 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.170 -2.582 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.849 -0.264 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.732 0.130 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.314 -0.603 -5.261 1.00 0.00 H new ATOM 932 N LEU A 63 1.422 -0.854 -3.116 1.00 0.00 N ATOM 933 CA LEU A 63 0.430 0.069 -2.575 1.00 0.00 C ATOM 934 C LEU A 63 0.630 1.473 -3.135 1.00 0.00 C ATOM 935 O LEU A 63 1.622 2.138 -2.834 1.00 0.00 O ATOM 936 CB LEU A 63 0.513 0.100 -1.048 1.00 0.00 C ATOM 937 CG LEU A 63 -0.795 0.387 -0.310 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.654 0.070 1.170 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.213 1.837 -0.509 1.00 0.00 C ATOM 0 H LEU A 63 2.263 -0.950 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.558 -0.283 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.897 -0.861 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.243 0.856 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.572 -0.255 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.595 0.281 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.402 -0.983 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.136 0.685 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.146 2.023 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.436 2.496 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.357 2.032 -1.572 1.00 0.00 H new ATOM 951 N VAL A 64 -0.319 1.920 -3.951 1.00 0.00 N ATOM 952 CA VAL A 64 -0.249 3.247 -4.551 1.00 0.00 C ATOM 953 C VAL A 64 -1.203 4.215 -3.859 1.00 0.00 C ATOM 954 O VAL A 64 -2.422 4.046 -3.911 1.00 0.00 O ATOM 955 CB VAL A 64 -0.583 3.202 -6.054 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.331 4.557 -6.698 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.226 2.115 -6.747 1.00 0.00 C ATOM 0 H VAL A 64 -1.146 1.382 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 64 0.775 3.597 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.641 2.964 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.572 4.506 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.958 5.310 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.718 4.828 -6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.022 2.097 -7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.290 2.321 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.009 1.148 -6.303 1.00 0.00 H new ATOM 967 N LEU A 65 -0.640 5.229 -3.212 1.00 0.00 N ATOM 968 CA LEU A 65 -1.441 6.226 -2.508 1.00 0.00 C ATOM 969 C LEU A 65 -1.522 7.522 -3.308 1.00 0.00 C ATOM 970 O LEU A 65 -0.501 8.075 -3.717 1.00 0.00 O ATOM 971 CB LEU A 65 -0.847 6.502 -1.126 1.00 0.00 C ATOM 972 CG LEU A 65 -0.711 5.293 -0.200 1.00 0.00 C ATOM 973 CD1 LEU A 65 0.305 5.573 0.897 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.061 4.928 0.401 1.00 0.00 C ATOM 0 H LEU A 65 0.367 5.383 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.450 5.830 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.140 6.945 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.467 7.248 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.356 4.446 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.389 4.702 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.275 5.786 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.020 6.433 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.946 4.065 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.444 5.772 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.761 4.685 -0.398 1.00 0.00 H new ATOM 986 N GLN A 66 -2.743 8.001 -3.526 1.00 0.00 N ATOM 987 CA GLN A 66 -2.956 9.234 -4.275 1.00 0.00 C ATOM 988 C GLN A 66 -3.512 10.331 -3.373 1.00 0.00 C ATOM 989 O GLN A 66 -4.717 10.400 -3.132 1.00 0.00 O ATOM 990 CB GLN A 66 -3.912 8.986 -5.444 1.00 0.00 C ATOM 991 CG GLN A 66 -3.213 8.538 -6.717 1.00 0.00 C ATOM 992 CD GLN A 66 -4.112 7.713 -7.617 1.00 0.00 C ATOM 993 OE1 GLN A 66 -5.336 7.836 -7.572 1.00 0.00 O ATOM 994 NE2 GLN A 66 -3.507 6.866 -8.442 1.00 0.00 N ATOM 0 H GLN A 66 -3.598 7.555 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.993 9.563 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.640 8.228 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.469 9.901 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.864 9.414 -7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.331 7.953 -6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.489 6.797 -8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.060 6.285 -9.072 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.624 11.186 -2.875 1.00 0.00 N ATOM 1004 CA VAL A 67 -3.026 12.281 -1.999 1.00 0.00 C ATOM 1005 C VAL A 67 -3.469 13.496 -2.806 1.00 0.00 C ATOM 1006 O VAL A 67 -2.665 14.171 -3.451 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.880 12.694 -1.056 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.352 13.758 -0.077 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.336 11.481 -0.317 1.00 0.00 C ATOM 0 H VAL A 67 -1.622 11.142 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.864 11.919 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.074 13.118 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.529 14.037 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.690 14.636 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.176 13.365 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.527 11.791 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.133 11.026 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.958 10.756 -1.037 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.778 13.785 -2.771 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.358 14.921 -3.493 1.00 0.00 C ATOM 1021 C PRO A 68 -4.947 16.261 -2.891 1.00 0.00 C ATOM 1022 O PRO A 68 -4.331 16.311 -1.827 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.866 14.707 -3.340 1.00 0.00 C ATOM 1024 CG PRO A 68 -7.010 13.905 -2.092 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.793 13.024 -2.023 1.00 0.00 C ATOM 0 HA PRO A 68 -5.022 14.959 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.395 15.657 -3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.280 14.180 -4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.073 14.552 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.922 13.309 -2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.484 12.846 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.977 12.049 -2.474 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.291 17.344 -3.580 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.960 18.684 -3.112 1.00 0.00 C ATOM 1035 C ALA A 69 -5.647 18.988 -1.785 1.00 0.00 C ATOM 1036 O ALA A 69 -5.023 19.496 -0.855 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.346 19.719 -4.158 1.00 0.00 C ATOM 0 H ALA A 69 -5.799 17.319 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.883 18.730 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.093 20.715 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.804 19.521 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.418 19.663 -4.347 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.936 18.673 -1.706 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.708 18.915 -0.492 1.00 0.00 C ATOM 1045 C GLU A 70 -6.960 18.408 0.738 1.00 0.00 C ATOM 1046 O GLU A 70 -6.886 19.093 1.758 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.075 18.235 -0.587 1.00 0.00 C ATOM 1048 CG GLU A 70 -9.988 18.846 -1.637 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.452 18.549 -1.382 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -11.751 17.475 -0.818 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -12.300 19.390 -1.746 1.00 0.00 O ATOM 0 H GLU A 70 -7.467 18.250 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.851 19.991 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.931 17.179 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.566 18.288 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.839 19.926 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.710 18.466 -2.620 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.407 17.205 0.632 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.668 16.604 1.736 1.00 0.00 C ATOM 1060 C TYR A 71 -4.994 17.676 2.588 1.00 0.00 C ATOM 1061 O TYR A 71 -4.457 18.661 2.081 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.619 15.627 1.203 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.840 14.922 2.290 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.932 15.613 3.082 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.013 13.563 2.526 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.218 14.973 4.076 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.304 12.915 3.519 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.408 13.624 4.291 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.699 12.982 5.281 1.00 0.00 O ATOM 0 H TYR A 71 -6.456 16.627 -0.207 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.377 16.061 2.361 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.113 14.881 0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.923 16.168 0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.782 16.670 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.713 13.004 1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.515 15.526 4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.451 11.859 3.690 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.502 13.613 6.004 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.022 17.481 3.914 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.659 16.312 4.529 1.00 0.00 C ATOM 1081 C PRO A 72 -7.179 16.347 4.403 1.00 0.00 C ATOM 1082 O PRO A 72 -7.840 15.310 4.461 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.242 16.412 5.998 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.975 17.861 6.218 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.435 18.385 4.917 1.00 0.00 C ATOM 0 HA PRO A 72 -5.355 15.382 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.030 16.050 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.355 15.811 6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.886 18.387 6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.258 18.007 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.731 19.420 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.346 18.357 4.894 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.726 17.546 4.230 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.168 17.715 4.095 1.00 0.00 C ATOM 1095 C HIS A 73 -9.798 16.499 3.422 1.00 0.00 C ATOM 1096 O HIS A 73 -10.864 16.037 3.827 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.482 18.977 3.290 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.031 20.240 3.957 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -9.681 20.793 5.040 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -7.987 21.058 3.689 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -9.057 21.897 5.408 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.025 22.081 4.605 1.00 0.00 N ATOM 0 H HIS A 73 -7.193 18.414 4.180 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.592 17.815 5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.006 18.902 2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.557 19.030 3.118 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.259 20.930 2.901 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.342 22.541 6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.364 22.856 4.656 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.130 15.987 2.393 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.626 14.825 1.664 1.00 0.00 C ATOM 1113 C GLU A 74 -8.701 13.627 1.856 1.00 0.00 C ATOM 1114 O GLU A 74 -7.494 13.783 2.042 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.757 15.148 0.174 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.462 14.064 -0.624 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.970 14.118 -0.476 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.480 13.651 0.564 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.640 14.627 -1.399 1.00 0.00 O ATOM 0 H GLU A 74 -8.245 16.358 2.046 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.609 14.571 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.303 16.084 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.763 15.306 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.200 14.165 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.104 13.087 -0.299 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.276 12.429 1.810 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.505 11.203 1.978 1.00 0.00 C ATOM 1128 C VAL A 75 -7.815 10.805 0.678 1.00 0.00 C ATOM 1129 O VAL A 75 -8.358 10.964 -0.416 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.397 10.040 2.451 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.075 10.387 3.767 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.427 9.692 1.386 1.00 0.00 C ATOM 0 H VAL A 75 -10.274 12.282 1.658 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.751 11.405 2.739 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.767 9.166 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.701 9.553 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.318 10.582 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.693 11.275 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.049 8.868 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.054 10.561 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.917 9.397 0.469 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.589 10.274 0.798 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.798 9.841 -0.358 1.00 0.00 C ATOM 1144 C PRO A 76 -6.379 8.598 -1.025 1.00 0.00 C ATOM 1145 O PRO A 76 -6.557 7.564 -0.381 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.427 9.532 0.247 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.706 9.205 1.673 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.881 10.055 2.070 1.00 0.00 C ATOM 0 HA PRO A 76 -5.772 10.598 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.948 8.697 -0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.755 10.386 0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.932 8.146 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.840 9.419 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.514 9.550 2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.563 10.995 2.520 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.671 8.707 -2.317 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.232 7.591 -3.069 1.00 0.00 C ATOM 1158 C GLN A 77 -6.291 6.391 -3.046 1.00 0.00 C ATOM 1159 O GLN A 77 -5.213 6.425 -3.641 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.508 8.011 -4.514 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.579 7.175 -5.196 1.00 0.00 C ATOM 1162 CD GLN A 77 -8.039 5.871 -5.749 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -7.083 5.861 -6.525 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -8.649 4.761 -5.350 1.00 0.00 N ATOM 0 H GLN A 77 -6.529 9.556 -2.864 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.171 7.302 -2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.812 9.058 -4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.584 7.940 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.375 6.961 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.023 7.752 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.438 4.816 -4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.329 3.853 -5.688 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.704 5.334 -2.356 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.898 4.124 -2.256 1.00 0.00 C ATOM 1175 C ILE A 78 -6.110 3.221 -3.467 1.00 0.00 C ATOM 1176 O ILE A 78 -7.240 3.017 -3.912 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.225 3.333 -0.976 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -5.887 4.164 0.263 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.467 2.015 -0.960 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.045 4.995 0.769 1.00 0.00 C ATOM 0 H ILE A 78 -7.593 5.291 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.856 4.441 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.293 3.115 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.555 3.497 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.051 4.824 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.709 1.467 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.753 1.420 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.395 2.211 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.732 5.557 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.364 5.688 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.875 4.340 1.033 1.00 0.00 H new ATOM 1192 N SER A 79 -5.016 2.681 -3.994 1.00 0.00 N ATOM 1193 CA SER A 79 -5.082 1.800 -5.155 1.00 0.00 C ATOM 1194 C SER A 79 -3.967 0.760 -5.111 1.00 0.00 C ATOM 1195 O SER A 79 -2.927 0.975 -4.488 1.00 0.00 O ATOM 1196 CB SER A 79 -4.985 2.615 -6.446 1.00 0.00 C ATOM 1197 OG SER A 79 -6.138 3.417 -6.631 1.00 0.00 O ATOM 0 H SER A 79 -4.074 2.838 -3.636 1.00 0.00 H new ATOM 0 HA SER A 79 -6.040 1.281 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.099 3.249 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.866 1.943 -7.296 1.00 0.00 H new ATOM 0 HG SER A 79 -5.920 4.353 -6.437 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.192 -0.368 -5.777 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.207 -1.441 -5.815 1.00 0.00 C ATOM 1205 C ILE A 80 -2.809 -1.771 -7.250 1.00 0.00 C ATOM 1206 O ILE A 80 -3.652 -1.806 -8.146 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.738 -2.717 -5.136 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.145 -2.420 -3.691 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.688 -3.817 -5.181 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.892 -3.556 -3.028 1.00 0.00 C ATOM 0 H ILE A 80 -5.048 -0.562 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.332 -1.086 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.619 -3.060 -5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.251 -2.195 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.769 -1.527 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.078 -4.712 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.442 -4.043 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.790 -3.485 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.149 -3.276 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.804 -3.767 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.262 -4.446 -3.013 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.519 -2.013 -7.459 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.009 -2.341 -8.785 1.00 0.00 C ATOM 1224 C ARG A 81 -0.181 -3.622 -8.748 1.00 0.00 C ATOM 1225 O ARG A 81 0.626 -3.825 -7.842 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.161 -1.189 -9.328 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.981 -0.012 -9.829 1.00 0.00 C ATOM 1228 CD ARG A 81 -0.145 0.926 -10.686 1.00 0.00 C ATOM 1229 NE ARG A 81 -0.953 1.982 -11.289 1.00 0.00 N ATOM 1230 CZ ARG A 81 -1.671 1.817 -12.395 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -1.682 0.645 -13.013 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -2.380 2.827 -12.883 1.00 0.00 N ATOM 0 H ARG A 81 -0.808 -1.988 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.862 -2.499 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.512 -0.844 -8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.462 -1.560 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.828 -0.378 -10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.389 0.536 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.639 1.373 -10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.350 0.355 -11.471 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.967 2.896 -10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.138 -0.133 -12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.234 0.521 -13.862 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.374 3.730 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.931 2.700 -13.732 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.388 -4.484 -9.739 1.00 0.00 N ATOM 1247 CA ASN A 82 0.338 -5.746 -9.819 1.00 0.00 C ATOM 1248 C ASN A 82 0.079 -6.601 -8.582 1.00 0.00 C ATOM 1249 O ASN A 82 1.003 -7.075 -7.920 1.00 0.00 O ATOM 1250 CB ASN A 82 1.838 -5.487 -9.969 1.00 0.00 C ATOM 1251 CG ASN A 82 2.245 -5.266 -11.413 1.00 0.00 C ATOM 1252 OD1 ASN A 82 1.712 -4.389 -12.092 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.194 -6.064 -11.888 1.00 0.00 N ATOM 0 H ASN A 82 -1.053 -4.331 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.019 -6.288 -10.695 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.114 -4.613 -9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.392 -6.333 -9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.509 -5.963 -12.853 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.608 -6.778 -11.288 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.207 -6.805 -8.262 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.618 -7.605 -7.104 1.00 0.00 C ATOM 1262 C PRO A 83 -1.328 -9.090 -7.293 1.00 0.00 C ATOM 1263 O PRO A 83 -2.158 -9.833 -7.818 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.127 -7.361 -7.022 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.530 -7.006 -8.411 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.360 -6.271 -9.006 1.00 0.00 C ATOM 0 HA PRO A 83 -1.077 -7.323 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.653 -8.249 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.361 -6.557 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.765 -7.899 -8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.424 -6.382 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.270 -6.459 -10.076 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.456 -5.193 -8.879 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.145 -9.517 -6.863 1.00 0.00 N ATOM 1275 CA ARG A 84 0.254 -10.914 -6.986 1.00 0.00 C ATOM 1276 C ARG A 84 0.114 -11.639 -5.650 1.00 0.00 C ATOM 1277 O ARG A 84 0.186 -11.023 -4.587 1.00 0.00 O ATOM 1278 CB ARG A 84 1.698 -11.012 -7.482 1.00 0.00 C ATOM 1279 CG ARG A 84 1.833 -10.879 -8.990 1.00 0.00 C ATOM 1280 CD ARG A 84 3.281 -11.023 -9.434 1.00 0.00 C ATOM 1281 NE ARG A 84 3.493 -10.506 -10.784 1.00 0.00 N ATOM 1282 CZ ARG A 84 4.491 -10.893 -11.570 1.00 0.00 C ATOM 1283 NH1 ARG A 84 5.364 -11.795 -11.143 1.00 0.00 N ATOM 1284 NH2 ARG A 84 4.618 -10.377 -12.786 1.00 0.00 N ATOM 0 H ARG A 84 0.554 -8.916 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.406 -11.392 -7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.292 -10.234 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.116 -11.969 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.224 -11.639 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.449 -9.909 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.929 -10.492 -8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.568 -12.074 -9.399 1.00 0.00 H new ATOM 0 HE ARG A 84 2.839 -9.810 -11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.270 -12.193 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.130 -12.090 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.949 -9.682 -13.118 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.385 -10.675 -13.389 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.087 -12.951 -5.713 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.234 -13.738 -4.503 1.00 0.00 C ATOM 1300 C GLY A 85 -1.629 -13.645 -3.918 1.00 0.00 C ATOM 1301 O GLY A 85 -2.246 -14.662 -3.598 1.00 0.00 O ATOM 0 H GLY A 85 -0.151 -13.483 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.003 -14.781 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.491 -13.399 -3.763 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.128 -12.422 -3.774 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.460 -12.199 -3.221 1.00 0.00 C ATOM 1307 C LEU A 86 -4.538 -12.508 -4.255 1.00 0.00 C ATOM 1308 O LEU A 86 -4.244 -12.701 -5.435 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.598 -10.754 -2.739 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.542 -10.275 -1.742 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.321 -8.777 -1.877 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.952 -10.629 -0.320 1.00 0.00 C ATOM 0 H LEU A 86 -1.631 -11.570 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.592 -12.872 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.571 -10.098 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.580 -10.637 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.603 -10.782 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.566 -8.454 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.982 -8.549 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.256 -8.252 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.189 -10.281 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.903 -10.150 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.058 -11.710 -0.230 1.00 0.00 H new ATOM 1324 N SER A 87 -5.788 -12.551 -3.805 1.00 0.00 N ATOM 1325 CA SER A 87 -6.910 -12.837 -4.690 1.00 0.00 C ATOM 1326 C SER A 87 -7.851 -11.640 -4.779 1.00 0.00 C ATOM 1327 O SER A 87 -7.747 -10.695 -3.997 1.00 0.00 O ATOM 1328 CB SER A 87 -7.675 -14.066 -4.197 1.00 0.00 C ATOM 1329 OG SER A 87 -8.590 -14.525 -5.178 1.00 0.00 O ATOM 0 H SER A 87 -6.049 -12.391 -2.832 1.00 0.00 H new ATOM 0 HA SER A 87 -6.513 -13.040 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.972 -14.861 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.212 -13.821 -3.281 1.00 0.00 H new ATOM 0 HG SER A 87 -9.065 -15.312 -4.839 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.770 -11.687 -5.738 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.731 -10.608 -5.929 1.00 0.00 C ATOM 1337 C ASP A 88 -10.402 -10.236 -4.610 1.00 0.00 C ATOM 1338 O ASP A 88 -10.588 -9.058 -4.309 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.789 -11.014 -6.957 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.791 -12.004 -6.395 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -12.811 -11.558 -5.828 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.555 -13.224 -6.521 1.00 0.00 O ATOM 0 H ASP A 88 -8.869 -12.461 -6.395 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.191 -9.736 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.316 -10.125 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.298 -11.452 -7.826 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.763 -11.250 -3.830 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.414 -11.029 -2.544 1.00 0.00 C ATOM 1349 C GLU A 89 -10.494 -10.272 -1.591 1.00 0.00 C ATOM 1350 O GLU A 89 -10.862 -9.226 -1.057 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.827 -12.363 -1.920 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.073 -12.968 -2.545 1.00 0.00 C ATOM 1353 CD GLU A 89 -14.337 -12.222 -2.165 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -14.879 -12.493 -1.073 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -14.785 -11.368 -2.958 1.00 0.00 O ATOM 0 H GLU A 89 -10.616 -12.231 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.305 -10.426 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.003 -13.070 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.000 -12.218 -0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.968 -12.968 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.162 -14.009 -2.234 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.297 -10.810 -1.382 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.324 -10.187 -0.492 1.00 0.00 C ATOM 1364 C GLN A 90 -8.041 -8.749 -0.917 1.00 0.00 C ATOM 1365 O GLN A 90 -8.222 -7.814 -0.136 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.024 -10.993 -0.478 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.186 -12.398 0.077 1.00 0.00 C ATOM 1368 CD GLN A 90 -5.965 -13.265 -0.163 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.476 -13.369 -1.288 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.466 -13.892 0.896 1.00 0.00 N ATOM 0 H GLN A 90 -8.977 -11.676 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.745 -10.174 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.634 -11.055 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.282 -10.460 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.382 -12.341 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.056 -12.868 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.904 -13.777 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.645 -14.489 0.795 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.595 -8.581 -2.157 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.288 -7.258 -2.685 1.00 0.00 C ATOM 1381 C ILE A 91 -8.363 -6.248 -2.297 1.00 0.00 C ATOM 1382 O ILE A 91 -8.074 -5.225 -1.675 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.151 -7.281 -4.219 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.062 -8.270 -4.640 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.840 -5.888 -4.744 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.303 -8.892 -5.998 1.00 0.00 C ATOM 0 H ILE A 91 -7.438 -9.345 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.336 -6.958 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.098 -7.607 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.100 -7.757 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.993 -9.062 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.746 -5.921 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.646 -5.207 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.904 -5.536 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.492 -9.582 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.249 -9.434 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.342 -8.109 -6.755 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.605 -6.543 -2.668 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.725 -5.661 -2.356 1.00 0.00 C ATOM 1400 C HIS A 92 -10.740 -5.305 -0.873 1.00 0.00 C ATOM 1401 O HIS A 92 -11.004 -4.161 -0.501 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.046 -6.324 -2.747 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.182 -5.358 -2.890 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.479 -5.662 -2.534 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.209 -4.086 -3.352 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.255 -4.620 -2.773 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.508 -3.650 -3.269 1.00 0.00 N ATOM 0 H HIS A 92 -9.861 -7.385 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.604 -4.742 -2.930 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.911 -6.856 -3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.306 -7.069 -1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.365 -3.519 -3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.319 -4.570 -2.593 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.842 -2.727 -3.545 1.00 0.00 H new ATOM 1416 N THR A 93 -10.455 -6.292 -0.029 1.00 0.00 N ATOM 1417 CA THR A 93 -10.438 -6.083 1.413 1.00 0.00 C ATOM 1418 C THR A 93 -9.395 -5.043 1.806 1.00 0.00 C ATOM 1419 O THR A 93 -9.694 -4.093 2.530 1.00 0.00 O ATOM 1420 CB THR A 93 -10.148 -7.394 2.167 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.105 -8.394 1.799 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.191 -7.174 3.672 1.00 0.00 C ATOM 0 H THR A 93 -10.233 -7.244 -0.320 1.00 0.00 H new ATOM 0 HA THR A 93 -11.429 -5.723 1.692 1.00 0.00 H new ATOM 0 HB THR A 93 -9.148 -7.730 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.954 -8.665 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 93 -9.983 -8.114 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.441 -6.435 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.180 -6.816 3.959 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.171 -5.228 1.323 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.084 -4.304 1.622 1.00 0.00 C ATOM 1432 C ILE A 94 -7.480 -2.867 1.298 1.00 0.00 C ATOM 1433 O ILE A 94 -6.931 -1.919 1.861 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.808 -4.662 0.839 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.367 -6.091 1.165 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.696 -3.674 1.156 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.389 -6.665 0.165 1.00 0.00 C ATOM 0 H ILE A 94 -7.907 -6.009 0.723 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.881 -4.391 2.689 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.026 -4.603 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.912 -6.105 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.247 -6.733 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.801 -3.941 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.012 -2.669 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.477 -3.703 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.121 -7.680 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.848 -6.684 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.492 -6.046 0.137 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.436 -2.713 0.389 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.907 -1.391 -0.010 1.00 0.00 C ATOM 1451 C LEU A 95 -9.890 -0.833 1.014 1.00 0.00 C ATOM 1452 O LEU A 95 -9.574 0.107 1.743 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.569 -1.458 -1.387 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.673 -1.908 -2.542 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.499 -2.146 -3.796 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.585 -0.877 -2.805 1.00 0.00 C ATOM 0 H LEU A 95 -8.900 -3.487 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.046 -0.725 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.419 -2.138 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.967 -0.471 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.196 -2.847 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.845 -2.466 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.241 -2.921 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.004 -1.223 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.957 -1.213 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.043 0.078 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.975 -0.756 -1.910 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.082 -1.419 1.063 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.111 -0.980 1.998 1.00 0.00 C ATOM 1470 C GLN A 96 -11.503 -0.639 3.355 1.00 0.00 C ATOM 1471 O GLN A 96 -11.761 0.429 3.912 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.177 -2.064 2.162 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.636 -3.371 2.717 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.695 -4.453 2.802 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -13.788 -5.316 1.930 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -14.501 -4.411 3.857 1.00 0.00 N ATOM 0 H GLN A 96 -11.359 -2.199 0.466 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.576 -0.082 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -13.960 -1.694 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.641 -2.254 1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.818 -3.718 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.221 -3.196 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -14.388 -3.677 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.233 -5.113 3.968 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.695 -1.553 3.882 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.049 -1.348 5.174 1.00 0.00 C ATOM 1487 C VAL A 97 -9.307 -0.017 5.213 1.00 0.00 C ATOM 1488 O VAL A 97 -9.521 0.799 6.111 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.060 -2.485 5.493 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -7.978 -2.566 4.426 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -8.447 -2.286 6.871 1.00 0.00 C ATOM 0 H VAL A 97 -10.472 -2.442 3.435 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.839 -1.342 5.925 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.606 -3.428 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.288 -3.375 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.437 -2.758 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.433 -1.623 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.751 -3.098 7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.914 -1.335 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.236 -2.282 7.623 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.435 0.196 4.234 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.661 1.430 4.155 1.00 0.00 C ATOM 1503 C LEU A 98 -8.577 2.639 4.000 1.00 0.00 C ATOM 1504 O LEU A 98 -8.377 3.669 4.643 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.679 1.365 2.984 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.461 0.461 3.178 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.696 0.309 1.872 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.555 1.014 4.268 1.00 0.00 C ATOM 0 H LEU A 98 -8.246 -0.469 3.484 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.102 1.539 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.220 1.027 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.327 2.375 2.775 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.809 -0.524 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.833 -0.337 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.348 -0.133 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.359 1.288 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.693 0.358 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.215 2.011 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.107 1.070 5.206 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.584 2.506 3.142 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.517 3.595 2.919 1.00 0.00 C ATOM 1522 C GLY A 99 -10.996 4.222 4.213 1.00 0.00 C ATOM 1523 O GLY A 99 -11.035 5.446 4.341 1.00 0.00 O ATOM 0 H GLY A 99 -9.770 1.664 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.040 4.358 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.376 3.225 2.359 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.364 3.382 5.176 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.844 3.862 6.467 1.00 0.00 C ATOM 1529 C HIS A 100 -10.729 4.565 7.234 1.00 0.00 C ATOM 1530 O HIS A 100 -10.795 5.770 7.481 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.394 2.700 7.294 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.355 2.945 8.771 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -12.744 4.136 9.347 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.971 2.143 9.792 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -12.600 4.056 10.658 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.132 2.857 10.954 1.00 0.00 N ATOM 0 H HIS A 100 -11.339 2.366 5.086 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.644 4.580 6.286 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.424 2.506 6.993 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.821 1.801 7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.606 1.130 9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.827 4.838 11.367 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.924 2.517 11.893 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.704 3.805 7.609 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.574 4.356 8.348 1.00 0.00 C ATOM 1547 C VAL A 101 -8.189 5.732 7.818 1.00 0.00 C ATOM 1548 O VAL A 101 -7.798 6.615 8.581 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.348 3.427 8.272 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.179 4.021 9.043 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.696 2.042 8.798 1.00 0.00 C ATOM 0 H VAL A 101 -9.633 2.806 7.413 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.889 4.446 9.388 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.051 3.330 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.322 3.351 8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.916 4.989 8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.460 4.150 10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.818 1.399 8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.019 2.118 9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.500 1.616 8.198 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.303 5.908 6.506 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.969 7.178 5.873 1.00 0.00 C ATOM 1563 C ALA A 102 -8.717 8.333 6.531 1.00 0.00 C ATOM 1564 O ALA A 102 -8.125 9.357 6.872 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.281 7.125 4.385 1.00 0.00 C ATOM 0 H ALA A 102 -8.624 5.187 5.860 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.901 7.350 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.027 8.080 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.697 6.331 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.343 6.926 4.243 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.023 8.161 6.707 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.854 9.188 7.325 1.00 0.00 C ATOM 1573 C LYS A 103 -10.587 9.274 8.825 1.00 0.00 C ATOM 1574 O LYS A 103 -10.576 10.361 9.401 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.334 8.894 7.076 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.785 9.200 5.658 1.00 0.00 C ATOM 1577 CD LYS A 103 -12.624 7.993 4.748 1.00 0.00 C ATOM 1578 CE LYS A 103 -13.809 7.047 4.863 1.00 0.00 C ATOM 1579 NZ LYS A 103 -13.845 6.065 3.744 1.00 0.00 N ATOM 0 H LYS A 103 -10.529 7.320 6.430 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.600 10.147 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.528 7.843 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.934 9.478 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.829 9.513 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.205 10.034 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.522 8.326 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.707 7.462 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.757 6.514 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.734 7.623 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.374 5.220 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.312 6.495 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.874 5.793 3.489 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.372 8.121 9.450 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.102 8.067 10.881 1.00 0.00 C ATOM 1595 C ALA A 104 -8.901 8.932 11.246 1.00 0.00 C ATOM 1596 O ALA A 104 -8.744 9.341 12.396 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.872 6.628 11.321 1.00 0.00 C ATOM 0 H ALA A 104 -10.380 7.212 8.988 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.973 8.461 11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.671 6.603 12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.760 6.035 11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.019 6.215 10.782 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.053 9.207 10.259 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.876 10.022 10.498 1.00 0.00 C ATOM 1605 C GLY A 105 -6.887 11.306 9.693 1.00 0.00 C ATOM 1606 O GLY A 105 -5.854 11.728 9.169 1.00 0.00 O ATOM 0 H GLY A 105 -8.160 8.880 9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.814 10.263 11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.984 9.448 10.249 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.056 11.929 9.590 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.197 13.172 8.841 1.00 0.00 C ATOM 1612 C LEU A 106 -7.818 14.373 9.702 1.00 0.00 C ATOM 1613 O LEU A 106 -7.887 14.316 10.929 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.633 13.325 8.335 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.912 12.781 6.934 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.410 12.685 6.688 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.252 13.658 5.880 1.00 0.00 C ATOM 0 H LEU A 106 -8.920 11.593 10.016 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.520 13.132 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.300 12.824 9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.891 14.384 8.350 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.487 11.780 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.590 12.296 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.857 12.016 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.858 13.675 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.461 13.256 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.647 14.672 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.175 13.676 6.044 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.420 15.461 9.049 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.039 16.661 9.771 1.00 0.00 C ATOM 1631 C GLY A 107 -5.556 16.704 10.082 1.00 0.00 C ATOM 1632 O GLY A 107 -4.965 17.780 10.181 1.00 0.00 O ATOM 0 H GLY A 107 -7.355 15.533 8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.309 17.537 9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.604 16.716 10.701 1.00 0.00 H new ATOM 1636 N THR A 108 -4.951 15.530 10.238 1.00 0.00 N ATOM 1637 CA THR A 108 -3.529 15.437 10.542 1.00 0.00 C ATOM 1638 C THR A 108 -2.876 14.294 9.774 1.00 0.00 C ATOM 1639 O THR A 108 -3.554 13.516 9.104 1.00 0.00 O ATOM 1640 CB THR A 108 -3.289 15.231 12.049 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.877 13.997 12.474 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.876 16.381 12.853 1.00 0.00 C ATOM 0 H THR A 108 -5.425 14.630 10.159 1.00 0.00 H new ATOM 0 HA THR A 108 -3.078 16.381 10.236 1.00 0.00 H new ATOM 0 HB THR A 108 -2.213 15.200 12.222 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.719 13.872 13.433 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.694 16.213 13.914 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.406 17.316 12.548 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.950 16.440 12.674 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.554 14.198 9.875 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.810 13.148 9.192 1.00 0.00 C ATOM 1652 C ALA A 109 -1.512 11.801 9.326 1.00 0.00 C ATOM 1653 O ALA A 109 -1.956 11.427 10.411 1.00 0.00 O ATOM 1654 CB ALA A 109 0.607 13.063 9.740 1.00 0.00 C ATOM 0 H ALA A 109 -0.977 14.835 10.424 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.764 13.400 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.151 12.274 9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.114 14.016 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.572 12.838 10.806 1.00 0.00 H new ATOM 1660 N MET A 110 -1.610 11.077 8.216 1.00 0.00 N ATOM 1661 CA MET A 110 -2.259 9.771 8.210 1.00 0.00 C ATOM 1662 C MET A 110 -1.422 8.752 7.444 1.00 0.00 C ATOM 1663 O MET A 110 -1.351 7.581 7.822 1.00 0.00 O ATOM 1664 CB MET A 110 -3.654 9.873 7.591 1.00 0.00 C ATOM 1665 CG MET A 110 -3.679 10.632 6.274 1.00 0.00 C ATOM 1666 SD MET A 110 -5.222 10.402 5.369 1.00 0.00 S ATOM 1667 CE MET A 110 -6.154 11.828 5.922 1.00 0.00 C ATOM 0 H MET A 110 -1.248 11.372 7.309 1.00 0.00 H new ATOM 0 HA MET A 110 -2.353 9.435 9.243 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.046 8.869 7.430 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.321 10.366 8.298 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.531 11.694 6.468 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.846 10.303 5.653 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.154 11.515 6.224 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.647 12.288 6.770 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.230 12.550 5.109 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.791 9.202 6.365 1.00 0.00 N ATOM 1678 CA LEU A 111 0.041 8.329 5.545 1.00 0.00 C ATOM 1679 C LEU A 111 0.745 7.283 6.403 1.00 0.00 C ATOM 1680 O LEU A 111 0.756 6.097 6.070 1.00 0.00 O ATOM 1681 CB LEU A 111 1.075 9.152 4.775 1.00 0.00 C ATOM 1682 CG LEU A 111 0.517 10.228 3.842 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.643 11.072 3.266 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.300 9.594 2.725 1.00 0.00 C ATOM 0 H LEU A 111 -0.840 10.167 6.038 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.607 7.814 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.737 9.632 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.687 8.470 4.185 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.138 10.879 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.227 11.832 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.187 11.556 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.324 10.434 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.689 10.374 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.333 8.920 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.130 9.033 3.155 1.00 0.00 H new ATOM 1696 N TYR A 112 1.329 7.729 7.510 1.00 0.00 N ATOM 1697 CA TYR A 112 2.035 6.832 8.416 1.00 0.00 C ATOM 1698 C TYR A 112 1.139 5.673 8.843 1.00 0.00 C ATOM 1699 O TYR A 112 1.486 4.507 8.661 1.00 0.00 O ATOM 1700 CB TYR A 112 2.520 7.596 9.649 1.00 0.00 C ATOM 1701 CG TYR A 112 3.453 6.796 10.530 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.793 6.641 10.196 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.994 6.193 11.695 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.648 5.910 10.997 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.843 5.462 12.503 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.169 5.323 12.150 1.00 0.00 C ATOM 1707 OH TYR A 112 6.017 4.594 12.951 1.00 0.00 O ATOM 0 H TYR A 112 1.327 8.707 7.801 1.00 0.00 H new ATOM 0 HA TYR A 112 2.897 6.426 7.886 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.029 8.504 9.326 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.656 7.906 10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.172 7.100 9.295 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.956 6.298 11.973 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.686 5.798 10.722 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.470 5.002 13.406 1.00 0.00 H new ATOM 0 HH TYR A 112 5.522 4.249 13.723 1.00 0.00 H new ATOM 1717 N GLU A 113 -0.017 6.005 9.411 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.963 4.992 9.864 1.00 0.00 C ATOM 1719 C GLU A 113 -1.306 4.024 8.736 1.00 0.00 C ATOM 1720 O GLU A 113 -1.029 2.827 8.824 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.239 5.653 10.389 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.179 6.008 11.865 1.00 0.00 C ATOM 1723 CD GLU A 113 -2.259 4.788 12.762 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -1.235 4.089 12.908 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -3.348 4.532 13.319 1.00 0.00 O ATOM 0 H GLU A 113 -0.320 6.966 9.568 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.494 4.430 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.432 6.559 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.081 4.982 10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.252 6.544 12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.998 6.686 12.106 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.910 4.550 7.676 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.291 3.733 6.529 1.00 0.00 C ATOM 1734 C LEU A 114 -1.249 2.652 6.259 1.00 0.00 C ATOM 1735 O LEU A 114 -1.566 1.463 6.241 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.465 4.611 5.288 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.780 5.385 5.193 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.641 6.559 4.235 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.909 4.466 4.751 1.00 0.00 C ATOM 0 H LEU A 114 -2.146 5.538 7.587 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.239 3.247 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.643 5.326 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.374 3.979 4.405 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.021 5.775 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.587 7.098 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.861 7.231 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.376 6.191 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.837 5.034 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.674 4.046 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.025 3.659 5.474 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.006 3.074 6.053 1.00 0.00 N ATOM 1752 CA ILE A 115 1.082 2.142 5.788 1.00 0.00 C ATOM 1753 C ILE A 115 1.096 1.009 6.809 1.00 0.00 C ATOM 1754 O ILE A 115 0.979 -0.163 6.451 1.00 0.00 O ATOM 1755 CB ILE A 115 2.449 2.852 5.808 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.502 3.933 4.726 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.572 1.844 5.613 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.581 4.967 4.957 1.00 0.00 C ATOM 0 H ILE A 115 0.272 4.055 6.065 1.00 0.00 H new ATOM 0 HA ILE A 115 0.910 1.730 4.794 1.00 0.00 H new ATOM 0 HB ILE A 115 2.580 3.329 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.666 3.459 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.535 4.434 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.532 2.361 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.543 1.107 6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.447 1.341 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.560 5.701 4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.407 5.468 5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.555 4.478 4.977 1.00 0.00 H new ATOM 1770 N GLU A 116 1.238 1.367 8.081 1.00 0.00 N ATOM 1771 CA GLU A 116 1.266 0.379 9.153 1.00 0.00 C ATOM 1772 C GLU A 116 0.161 -0.656 8.968 1.00 0.00 C ATOM 1773 O GLU A 116 0.386 -1.857 9.123 1.00 0.00 O ATOM 1774 CB GLU A 116 1.114 1.066 10.513 1.00 0.00 C ATOM 1775 CG GLU A 116 2.265 1.997 10.856 1.00 0.00 C ATOM 1776 CD GLU A 116 3.579 1.261 11.032 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.643 0.357 11.890 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.543 1.590 10.310 1.00 0.00 O ATOM 0 H GLU A 116 1.335 2.333 8.394 1.00 0.00 H new ATOM 0 HA GLU A 116 2.228 -0.132 9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.183 1.634 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.030 0.304 11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.373 2.741 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.030 2.537 11.773 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.036 -0.183 8.636 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.177 -1.066 8.428 1.00 0.00 C ATOM 1787 C LYS A 117 -1.890 -2.075 7.321 1.00 0.00 C ATOM 1788 O LYS A 117 -2.053 -3.280 7.509 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.423 -0.249 8.077 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.727 -0.966 8.381 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.920 -1.163 9.875 1.00 0.00 C ATOM 1792 CE LYS A 117 -6.389 -1.343 10.228 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.569 -1.811 11.630 1.00 0.00 N ATOM 0 H LYS A 117 -1.241 0.808 8.505 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.356 -1.611 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.398 0.691 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.395 0.003 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.561 -0.392 7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.736 -1.935 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.356 -2.036 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.518 -0.303 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.914 -0.398 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.841 -2.061 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.583 -1.921 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.090 -2.725 11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.160 -1.113 12.284 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.461 -1.575 6.166 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.157 -2.447 5.047 1.00 0.00 C ATOM 1809 C GLY A 118 -0.496 -3.740 5.483 1.00 0.00 C ATOM 1810 O GLY A 118 -0.842 -4.818 4.998 1.00 0.00 O ATOM 0 H GLY A 118 -1.319 -0.581 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.077 -2.676 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.502 -1.924 4.350 1.00 0.00 H new ATOM 1814 N LYS A 119 0.460 -3.634 6.399 1.00 0.00 N ATOM 1815 CA LYS A 119 1.172 -4.803 6.901 1.00 0.00 C ATOM 1816 C LYS A 119 0.249 -5.689 7.730 1.00 0.00 C ATOM 1817 O LYS A 119 0.044 -6.860 7.410 1.00 0.00 O ATOM 1818 CB LYS A 119 2.374 -4.371 7.744 1.00 0.00 C ATOM 1819 CG LYS A 119 3.541 -3.854 6.920 1.00 0.00 C ATOM 1820 CD LYS A 119 4.798 -3.711 7.762 1.00 0.00 C ATOM 1821 CE LYS A 119 4.781 -2.425 8.574 1.00 0.00 C ATOM 1822 NZ LYS A 119 6.152 -2.001 8.969 1.00 0.00 N ATOM 0 H LYS A 119 0.760 -2.750 6.809 1.00 0.00 H new ATOM 0 HA LYS A 119 1.524 -5.377 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.059 -3.593 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.710 -5.217 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.733 -4.536 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.281 -2.889 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.887 -4.565 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.675 -3.722 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.310 -1.634 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.173 -2.568 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.098 -1.121 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.593 -2.745 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.725 -1.840 8.116 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.308 -5.123 8.796 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.211 -5.862 9.670 1.00 0.00 C ATOM 1838 C GLU A 120 -2.211 -6.677 8.855 1.00 0.00 C ATOM 1839 O GLU A 120 -2.381 -7.875 9.081 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.955 -4.903 10.601 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.043 -4.151 11.556 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.813 -3.346 12.585 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -2.281 -3.942 13.577 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -1.947 -2.118 12.398 1.00 0.00 O ATOM 0 H GLU A 120 -0.150 -4.155 9.075 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.614 -6.548 10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.510 -4.183 9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.687 -5.466 11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.394 -4.861 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.398 -3.483 10.986 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.870 -6.017 7.909 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.853 -6.679 7.060 1.00 0.00 C ATOM 1853 C ILE A 121 -3.315 -8.002 6.525 1.00 0.00 C ATOM 1854 O ILE A 121 -3.899 -9.061 6.755 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.265 -5.787 5.874 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.886 -4.484 6.380 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.237 -6.527 4.968 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.725 -3.326 5.421 1.00 0.00 C ATOM 0 H ILE A 121 -2.741 -5.025 7.711 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.728 -6.870 7.681 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.374 -5.542 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.948 -4.646 6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.431 -4.221 7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.519 -5.884 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.762 -7.430 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.128 -6.798 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.189 -2.435 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.665 -3.138 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.205 -3.569 4.473 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.197 -7.933 5.810 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.577 -9.125 5.243 1.00 0.00 C ATOM 1872 C LEU A 122 -1.335 -10.178 6.319 1.00 0.00 C ATOM 1873 O LEU A 122 -1.241 -11.370 6.026 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.256 -8.763 4.562 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.358 -7.834 3.351 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.018 -7.324 2.953 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.022 -8.550 2.184 1.00 0.00 C ATOM 0 H LEU A 122 -1.702 -7.064 5.609 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.259 -9.540 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.394 -8.294 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.232 -9.685 4.247 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.975 -6.978 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.926 -6.665 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.457 -6.773 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.659 -8.168 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.086 -7.874 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.432 -9.424 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.025 -8.865 2.473 1.00 0.00 H new