USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 870 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 Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 16 SER OG : rot -173:sc= -4.83! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.58 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0146 USER MOD Single : A 41 GLN : amide:sc= 0.296 K(o=0.3,f=-0.62) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 67:sc= 0.63 USER MOD Single : A 52 SER OG : rot -75:sc= 0.05 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.129) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -120:sc= 0.213 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -134:sc= 0.59 USER MOD Single : A 96 LYS NZ :NH3+ -125:sc= -0.312 (180deg=-2.05) USER MOD Single : A 97 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN :FLIP amide:sc= -2.9! C(o=-4.6!,f=-2.9!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 35:sc= 1.72 USER MOD Single : A 114 TYR OH : rot 15:sc= -3.07! USER MOD Single : A 117 LYS NZ :NH3+ -139:sc= -0.908 (180deg=-2.98!) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 9.046 26.247 1.281 1.00 0.00 N ATOM 110 CA GLU A 12 8.719 25.478 0.086 1.00 0.00 C ATOM 111 C GLU A 12 7.359 24.801 0.230 1.00 0.00 C ATOM 112 O GLU A 12 6.719 24.886 1.278 1.00 0.00 O ATOM 113 CB GLU A 12 9.798 24.427 -0.181 1.00 0.00 C ATOM 114 CG GLU A 12 9.781 23.272 0.806 1.00 0.00 C ATOM 115 CD GLU A 12 10.795 22.197 0.465 1.00 0.00 C ATOM 116 OE1 GLU A 12 11.804 22.523 -0.196 1.00 0.00 O ATOM 117 OE2 GLU A 12 10.580 21.032 0.857 1.00 0.00 O ATOM 0 HA GLU A 12 8.675 26.167 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.669 24.034 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.776 24.907 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.983 23.652 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.784 22.832 0.827 1.00 0.00 H new ATOM 124 N ARG A 13 6.924 24.130 -0.832 1.00 0.00 N ATOM 125 CA ARG A 13 5.639 23.440 -0.825 1.00 0.00 C ATOM 126 C ARG A 13 5.583 22.407 0.296 1.00 0.00 C ATOM 127 O ARG A 13 6.555 22.217 1.026 1.00 0.00 O ATOM 128 CB ARG A 13 5.395 22.760 -2.174 1.00 0.00 C ATOM 129 CG ARG A 13 4.678 23.644 -3.181 1.00 0.00 C ATOM 130 CD ARG A 13 4.621 22.992 -4.553 1.00 0.00 C ATOM 131 NE ARG A 13 5.889 23.109 -5.269 1.00 0.00 N ATOM 132 CZ ARG A 13 6.289 24.221 -5.876 1.00 0.00 C ATOM 133 NH1 ARG A 13 5.525 25.304 -5.855 1.00 0.00 N ATOM 134 NH2 ARG A 13 7.457 24.250 -6.506 1.00 0.00 N ATOM 0 H ARG A 13 7.442 24.050 -1.707 1.00 0.00 H new ATOM 0 HA ARG A 13 4.858 24.180 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.352 22.449 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.808 21.856 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.666 23.848 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.190 24.604 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.363 21.939 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.829 23.455 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 13 6.500 22.293 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.627 25.285 -5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.835 26.156 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.047 23.418 -6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.764 25.104 -6.972 1.00 0.00 H new ATOM 148 N GLN A 14 4.438 21.743 0.425 1.00 0.00 N ATOM 149 CA GLN A 14 4.255 20.730 1.457 1.00 0.00 C ATOM 150 C GLN A 14 3.491 19.528 0.912 1.00 0.00 C ATOM 151 O GLN A 14 2.325 19.641 0.533 1.00 0.00 O ATOM 152 CB GLN A 14 3.511 21.322 2.655 1.00 0.00 C ATOM 153 CG GLN A 14 4.398 22.140 3.580 1.00 0.00 C ATOM 154 CD GLN A 14 3.603 22.959 4.577 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.425 22.692 4.819 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.244 23.963 5.164 1.00 0.00 N ATOM 0 H GLN A 14 3.624 21.889 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 14 5.240 20.394 1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.699 21.953 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.055 20.512 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.070 21.471 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.022 22.806 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.220 24.149 4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.760 24.548 5.845 1.00 0.00 H new ATOM 165 N LEU A 15 4.156 18.379 0.874 1.00 0.00 N ATOM 166 CA LEU A 15 3.540 17.155 0.374 1.00 0.00 C ATOM 167 C LEU A 15 2.640 16.526 1.433 1.00 0.00 C ATOM 168 O LEU A 15 3.072 16.270 2.556 1.00 0.00 O ATOM 169 CB LEU A 15 4.617 16.156 -0.055 1.00 0.00 C ATOM 170 CG LEU A 15 4.223 14.680 -0.001 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.924 14.446 -0.757 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.335 13.810 -0.567 1.00 0.00 C ATOM 0 H LEU A 15 5.122 18.269 1.183 1.00 0.00 H new ATOM 0 HA LEU A 15 2.928 17.413 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.919 16.394 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.492 16.301 0.579 1.00 0.00 H new ATOM 0 HG LEU A 15 4.068 14.404 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.659 13.390 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.129 15.041 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.051 14.740 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.037 12.763 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.522 14.088 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.244 13.955 0.017 1.00 0.00 H new ATOM 184 N SER A 16 1.387 16.279 1.066 1.00 0.00 N ATOM 185 CA SER A 16 0.425 15.681 1.985 1.00 0.00 C ATOM 186 C SER A 16 -0.101 14.358 1.437 1.00 0.00 C ATOM 187 O SER A 16 -0.547 14.264 0.293 1.00 0.00 O ATOM 188 CB SER A 16 -0.739 16.642 2.233 1.00 0.00 C ATOM 189 OG SER A 16 -0.428 17.566 3.261 1.00 0.00 O ATOM 0 H SER A 16 1.014 16.484 0.139 1.00 0.00 H new ATOM 0 HA SER A 16 0.934 15.486 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.972 17.180 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.630 16.076 2.506 1.00 0.00 H new ATOM 0 HG SER A 16 -1.224 18.096 3.476 1.00 0.00 H new ATOM 195 N PRO A 17 -0.047 13.310 2.271 1.00 0.00 N ATOM 196 CA PRO A 17 -0.513 11.972 1.894 1.00 0.00 C ATOM 197 C PRO A 17 -2.030 11.906 1.752 1.00 0.00 C ATOM 198 O PRO A 17 -2.549 11.280 0.828 1.00 0.00 O ATOM 199 CB PRO A 17 -0.046 11.092 3.056 1.00 0.00 C ATOM 200 CG PRO A 17 0.056 12.021 4.217 1.00 0.00 C ATOM 201 CD PRO A 17 0.473 13.349 3.649 1.00 0.00 C ATOM 0 HA PRO A 17 -0.123 11.663 0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.755 10.288 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.914 10.624 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.898 12.101 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.785 11.660 4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.049 14.179 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.556 13.471 3.666 1.00 0.00 H new ATOM 209 N GLU A 18 -2.735 12.556 2.672 1.00 0.00 N ATOM 210 CA GLU A 18 -4.193 12.570 2.648 1.00 0.00 C ATOM 211 C GLU A 18 -4.711 12.970 1.269 1.00 0.00 C ATOM 212 O GLU A 18 -5.679 12.398 0.767 1.00 0.00 O ATOM 213 CB GLU A 18 -4.734 13.533 3.706 1.00 0.00 C ATOM 214 CG GLU A 18 -4.036 14.883 3.714 1.00 0.00 C ATOM 215 CD GLU A 18 -4.813 15.937 4.480 1.00 0.00 C ATOM 216 OE1 GLU A 18 -5.765 16.505 3.905 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.468 16.194 5.652 1.00 0.00 O ATOM 0 H GLU A 18 -2.321 13.080 3.443 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.543 11.562 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.800 13.685 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.631 13.074 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.046 14.773 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.891 15.219 2.687 1.00 0.00 H new ATOM 224 N LYS A 19 -4.059 13.955 0.662 1.00 0.00 N ATOM 225 CA LYS A 19 -4.451 14.433 -0.659 1.00 0.00 C ATOM 226 C LYS A 19 -4.177 13.375 -1.723 1.00 0.00 C ATOM 227 O LYS A 19 -5.061 13.023 -2.504 1.00 0.00 O ATOM 228 CB LYS A 19 -3.700 15.722 -1.002 1.00 0.00 C ATOM 229 CG LYS A 19 -4.332 16.969 -0.408 1.00 0.00 C ATOM 230 CD LYS A 19 -5.779 17.123 -0.844 1.00 0.00 C ATOM 231 CE LYS A 19 -5.958 16.777 -2.314 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.329 17.100 -2.797 1.00 0.00 N ATOM 0 H LYS A 19 -3.256 14.439 1.064 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.522 14.637 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.673 15.640 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.654 15.829 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.282 16.920 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.763 17.847 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.414 16.477 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.106 18.148 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.226 17.324 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.761 15.715 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.411 16.850 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.027 16.559 -2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.508 18.117 -2.678 1.00 0.00 H new ATOM 246 N SER A 20 -2.947 12.870 -1.747 1.00 0.00 N ATOM 247 CA SER A 20 -2.557 11.854 -2.717 1.00 0.00 C ATOM 248 C SER A 20 -3.714 10.902 -3.003 1.00 0.00 C ATOM 249 O SER A 20 -4.393 10.441 -2.085 1.00 0.00 O ATOM 250 CB SER A 20 -1.349 11.067 -2.205 1.00 0.00 C ATOM 251 OG SER A 20 -0.235 11.919 -2.001 1.00 0.00 O ATOM 0 H SER A 20 -2.204 13.148 -1.106 1.00 0.00 H new ATOM 0 HA SER A 20 -2.287 12.358 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.605 10.568 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.089 10.288 -2.921 1.00 0.00 H new ATOM 0 HG SER A 20 0.524 11.393 -1.672 1.00 0.00 H new ATOM 257 N GLU A 21 -3.933 10.613 -4.282 1.00 0.00 N ATOM 258 CA GLU A 21 -5.009 9.716 -4.688 1.00 0.00 C ATOM 259 C GLU A 21 -4.452 8.375 -5.156 1.00 0.00 C ATOM 260 O GLU A 21 -3.562 8.323 -6.005 1.00 0.00 O ATOM 261 CB GLU A 21 -5.839 10.354 -5.804 1.00 0.00 C ATOM 262 CG GLU A 21 -6.339 11.749 -5.470 1.00 0.00 C ATOM 263 CD GLU A 21 -7.658 11.732 -4.721 1.00 0.00 C ATOM 264 OE1 GLU A 21 -7.637 11.559 -3.485 1.00 0.00 O ATOM 265 OE2 GLU A 21 -8.711 11.894 -5.373 1.00 0.00 O ATOM 0 H GLU A 21 -3.381 10.986 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.649 9.541 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.237 10.401 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.694 9.713 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.591 12.265 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.456 12.319 -6.391 1.00 0.00 H new ATOM 272 N ILE A 22 -4.982 7.293 -4.596 1.00 0.00 N ATOM 273 CA ILE A 22 -4.539 5.952 -4.957 1.00 0.00 C ATOM 274 C ILE A 22 -5.596 5.228 -5.785 1.00 0.00 C ATOM 275 O ILE A 22 -6.749 5.111 -5.372 1.00 0.00 O ATOM 276 CB ILE A 22 -4.217 5.111 -3.707 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.193 5.833 -2.830 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.702 3.738 -4.111 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.759 5.032 -1.623 1.00 0.00 C ATOM 0 H ILE A 22 -5.718 7.319 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.632 6.068 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.132 4.979 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.316 6.072 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.617 6.779 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.479 3.156 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.462 3.223 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.796 3.850 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.033 5.606 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.626 4.815 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.305 4.097 -1.951 1.00 0.00 H new ATOM 291 N TRP A 23 -5.192 4.742 -6.953 1.00 0.00 N ATOM 292 CA TRP A 23 -6.104 4.027 -7.839 1.00 0.00 C ATOM 293 C TRP A 23 -5.540 2.661 -8.213 1.00 0.00 C ATOM 294 O TRP A 23 -4.329 2.448 -8.176 1.00 0.00 O ATOM 295 CB TRP A 23 -6.368 4.847 -9.103 1.00 0.00 C ATOM 296 CG TRP A 23 -5.205 4.873 -10.048 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.897 3.938 -10.995 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.193 5.883 -10.135 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.755 4.306 -11.665 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.305 5.496 -11.157 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.953 7.077 -9.450 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.196 6.261 -11.508 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.852 7.835 -9.799 1.00 0.00 C ATOM 304 CH2 TRP A 23 -1.985 7.426 -10.821 1.00 0.00 C ATOM 0 H TRP A 23 -4.240 4.830 -7.309 1.00 0.00 H new ATOM 0 HA TRP A 23 -7.044 3.878 -7.308 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.237 4.437 -9.618 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.619 5.869 -8.819 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.467 3.041 -11.189 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.314 3.779 -12.418 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.616 7.401 -8.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.526 5.946 -12.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.656 8.759 -9.275 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.134 8.042 -11.072 1.00 0.00 H new ATOM 315 N GLY A 24 -6.426 1.737 -8.573 1.00 0.00 N ATOM 316 CA GLY A 24 -5.997 0.403 -8.948 1.00 0.00 C ATOM 317 C GLY A 24 -7.071 -0.640 -8.713 1.00 0.00 C ATOM 318 O GLY A 24 -7.770 -0.624 -7.699 1.00 0.00 O ATOM 0 H GLY A 24 -7.434 1.889 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.715 0.398 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.107 0.138 -8.378 1.00 0.00 H new ATOM 322 N PRO A 25 -7.215 -1.573 -9.666 1.00 0.00 N ATOM 323 CA PRO A 25 -8.211 -2.645 -9.580 1.00 0.00 C ATOM 324 C PRO A 25 -7.875 -3.663 -8.496 1.00 0.00 C ATOM 325 O PRO A 25 -8.655 -4.574 -8.222 1.00 0.00 O ATOM 326 CB PRO A 25 -8.151 -3.296 -10.963 1.00 0.00 C ATOM 327 CG PRO A 25 -6.779 -2.999 -11.463 1.00 0.00 C ATOM 328 CD PRO A 25 -6.416 -1.653 -10.900 1.00 0.00 C ATOM 0 HA PRO A 25 -9.198 -2.265 -9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.326 -4.370 -10.903 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.912 -2.886 -11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.071 -3.762 -11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.755 -2.986 -12.553 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.348 -1.579 -10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.663 -0.848 -11.592 1.00 0.00 H new ATOM 336 N GLY A 26 -6.706 -3.503 -7.882 1.00 0.00 N ATOM 337 CA GLY A 26 -6.287 -4.416 -6.835 1.00 0.00 C ATOM 338 C GLY A 26 -7.226 -4.404 -5.645 1.00 0.00 C ATOM 339 O GLY A 26 -7.128 -5.253 -4.758 1.00 0.00 O ATOM 0 H GLY A 26 -6.042 -2.757 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.231 -5.427 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.283 -4.149 -6.505 1.00 0.00 H new ATOM 343 N LEU A 27 -8.138 -3.438 -5.623 1.00 0.00 N ATOM 344 CA LEU A 27 -9.098 -3.317 -4.531 1.00 0.00 C ATOM 345 C LEU A 27 -10.428 -3.966 -4.901 1.00 0.00 C ATOM 346 O LEU A 27 -11.475 -3.618 -4.354 1.00 0.00 O ATOM 347 CB LEU A 27 -9.317 -1.844 -4.179 1.00 0.00 C ATOM 348 CG LEU A 27 -8.170 -1.153 -3.440 1.00 0.00 C ATOM 349 CD1 LEU A 27 -7.240 -0.462 -4.425 1.00 0.00 C ATOM 350 CD2 LEU A 27 -8.712 -0.157 -2.427 1.00 0.00 C ATOM 0 H LEU A 27 -8.233 -2.727 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.691 -3.835 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.511 -1.296 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.216 -1.767 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.599 -1.911 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.430 0.024 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.825 -1.199 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.798 0.285 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.882 0.325 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.307 0.598 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.336 -0.679 -1.702 1.00 0.00 H new ATOM 362 N LYS A 28 -10.380 -4.912 -5.832 1.00 0.00 N ATOM 363 CA LYS A 28 -11.579 -5.614 -6.274 1.00 0.00 C ATOM 364 C LYS A 28 -11.565 -7.065 -5.804 1.00 0.00 C ATOM 365 O LYS A 28 -10.570 -7.540 -5.256 1.00 0.00 O ATOM 366 CB LYS A 28 -11.693 -5.562 -7.799 1.00 0.00 C ATOM 367 CG LYS A 28 -11.387 -4.194 -8.385 1.00 0.00 C ATOM 368 CD LYS A 28 -12.634 -3.329 -8.461 1.00 0.00 C ATOM 369 CE LYS A 28 -12.851 -2.550 -7.173 1.00 0.00 C ATOM 370 NZ LYS A 28 -14.264 -2.104 -7.026 1.00 0.00 N ATOM 0 H LYS A 28 -9.522 -5.211 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.443 -5.116 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.011 -6.294 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.702 -5.855 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.634 -3.696 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.963 -4.311 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.546 -2.635 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.503 -3.957 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.576 -3.172 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.193 -1.681 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.371 -1.577 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.519 -1.489 -7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.891 -2.934 -7.014 1.00 0.00 H new ATOM 384 N ALA A 29 -12.674 -7.764 -6.023 1.00 0.00 N ATOM 385 CA ALA A 29 -12.787 -9.162 -5.625 1.00 0.00 C ATOM 386 C ALA A 29 -11.675 -10.001 -6.246 1.00 0.00 C ATOM 387 O ALA A 29 -10.811 -10.523 -5.541 1.00 0.00 O ATOM 388 CB ALA A 29 -14.149 -9.714 -6.017 1.00 0.00 C ATOM 0 H ALA A 29 -13.507 -7.385 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.684 -9.215 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.219 -10.759 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.931 -9.139 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.274 -9.641 -7.097 1.00 0.00 H new ATOM 394 N ASP A 30 -11.704 -10.127 -7.568 1.00 0.00 N ATOM 395 CA ASP A 30 -10.698 -10.903 -8.284 1.00 0.00 C ATOM 396 C ASP A 30 -9.904 -10.015 -9.238 1.00 0.00 C ATOM 397 O ASP A 30 -10.478 -9.295 -10.054 1.00 0.00 O ATOM 398 CB ASP A 30 -11.360 -12.043 -9.060 1.00 0.00 C ATOM 399 CG ASP A 30 -10.394 -13.171 -9.368 1.00 0.00 C ATOM 400 OD1 ASP A 30 -10.061 -13.937 -8.439 1.00 0.00 O ATOM 401 OD2 ASP A 30 -9.973 -13.288 -10.537 1.00 0.00 O ATOM 0 H ASP A 30 -12.413 -9.702 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.010 -11.324 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.198 -12.433 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.769 -11.654 -9.992 1.00 0.00 H new ATOM 406 N VAL A 31 -8.580 -10.072 -9.127 1.00 0.00 N ATOM 407 CA VAL A 31 -7.707 -9.273 -9.979 1.00 0.00 C ATOM 408 C VAL A 31 -6.667 -10.147 -10.672 1.00 0.00 C ATOM 409 O VAL A 31 -6.527 -10.113 -11.894 1.00 0.00 O ATOM 410 CB VAL A 31 -6.987 -8.177 -9.173 1.00 0.00 C ATOM 411 CG1 VAL A 31 -7.894 -6.971 -8.982 1.00 0.00 C ATOM 412 CG2 VAL A 31 -6.521 -8.722 -7.831 1.00 0.00 C ATOM 0 H VAL A 31 -8.089 -10.663 -8.456 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.341 -8.803 -10.731 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.109 -7.856 -9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.368 -6.207 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.173 -6.568 -9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.792 -7.273 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.014 -7.934 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.382 -9.072 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.833 -9.551 -7.994 1.00 0.00 H new ATOM 422 N VAL A 32 -5.939 -10.929 -9.882 1.00 0.00 N ATOM 423 CA VAL A 32 -4.912 -11.814 -10.419 1.00 0.00 C ATOM 424 C VAL A 32 -4.616 -12.960 -9.458 1.00 0.00 C ATOM 425 O VAL A 32 -4.545 -12.764 -8.244 1.00 0.00 O ATOM 426 CB VAL A 32 -3.606 -11.048 -10.705 1.00 0.00 C ATOM 427 CG1 VAL A 32 -3.805 -10.061 -11.845 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.120 -10.337 -9.451 1.00 0.00 C ATOM 0 H VAL A 32 -6.041 -10.968 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.300 -12.219 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.843 -11.765 -11.007 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.872 -9.529 -12.033 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.103 -10.599 -12.745 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.582 -9.346 -11.576 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.197 -9.801 -9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.879 -9.630 -9.116 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.936 -11.070 -8.666 1.00 0.00 H new ATOM 438 N LEU A 33 -4.443 -14.156 -10.008 1.00 0.00 N ATOM 439 CA LEU A 33 -4.154 -15.336 -9.200 1.00 0.00 C ATOM 440 C LEU A 33 -3.017 -15.060 -8.221 1.00 0.00 C ATOM 441 O LEU A 33 -3.178 -15.148 -7.004 1.00 0.00 O ATOM 442 CB LEU A 33 -3.792 -16.519 -10.100 1.00 0.00 C ATOM 443 CG LEU A 33 -2.756 -17.494 -9.541 1.00 0.00 C ATOM 444 CD1 LEU A 33 -3.340 -18.289 -8.383 1.00 0.00 C ATOM 445 CD2 LEU A 33 -2.259 -18.429 -10.635 1.00 0.00 C ATOM 0 H LEU A 33 -4.498 -14.335 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.049 -15.583 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.703 -17.075 -10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.420 -16.129 -11.047 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.908 -16.919 -9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.588 -18.978 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.646 -17.606 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.206 -18.854 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.522 -19.116 -10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.098 -18.997 -11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.800 -17.844 -11.433 1.00 0.00 H new ATOM 457 N PRO A 34 -1.840 -14.715 -8.764 1.00 0.00 N ATOM 458 CA PRO A 34 -0.653 -14.416 -7.957 1.00 0.00 C ATOM 459 C PRO A 34 -0.792 -13.108 -7.185 1.00 0.00 C ATOM 460 O PRO A 34 -1.284 -13.091 -6.057 1.00 0.00 O ATOM 461 CB PRO A 34 0.465 -14.308 -8.996 1.00 0.00 C ATOM 462 CG PRO A 34 -0.227 -13.928 -10.259 1.00 0.00 C ATOM 463 CD PRO A 34 -1.576 -14.590 -10.207 1.00 0.00 C ATOM 0 HA PRO A 34 -0.474 -15.177 -7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.202 -13.559 -8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.997 -15.253 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.326 -12.845 -10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.338 -14.262 -11.129 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.338 -13.989 -10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.565 -15.562 -10.699 1.00 0.00 H new ATOM 471 N ALA A 35 -0.354 -12.015 -7.800 1.00 0.00 N ATOM 472 CA ALA A 35 -0.432 -10.702 -7.171 1.00 0.00 C ATOM 473 C ALA A 35 -0.291 -9.589 -8.205 1.00 0.00 C ATOM 474 O ALA A 35 0.408 -9.744 -9.206 1.00 0.00 O ATOM 475 CB ALA A 35 0.638 -10.566 -6.098 1.00 0.00 C ATOM 0 H ALA A 35 0.058 -12.012 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.413 -10.608 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.568 -9.581 -5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.491 -11.334 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.623 -10.686 -6.549 1.00 0.00 H new ATOM 481 N ARG A 36 -0.961 -8.468 -7.955 1.00 0.00 N ATOM 482 CA ARG A 36 -0.912 -7.331 -8.866 1.00 0.00 C ATOM 483 C ARG A 36 -0.341 -6.100 -8.167 1.00 0.00 C ATOM 484 O ARG A 36 -0.301 -6.033 -6.938 1.00 0.00 O ATOM 485 CB ARG A 36 -2.309 -7.021 -9.406 1.00 0.00 C ATOM 486 CG ARG A 36 -2.489 -5.576 -9.839 1.00 0.00 C ATOM 487 CD ARG A 36 -3.938 -5.273 -10.184 1.00 0.00 C ATOM 488 NE ARG A 36 -4.268 -5.664 -11.552 1.00 0.00 N ATOM 489 CZ ARG A 36 -4.052 -4.890 -12.610 1.00 0.00 C ATOM 490 NH1 ARG A 36 -3.509 -3.691 -12.458 1.00 0.00 N ATOM 491 NH2 ARG A 36 -4.379 -5.316 -13.823 1.00 0.00 N ATOM 0 H ARG A 36 -1.543 -8.323 -7.130 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.259 -7.592 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.514 -7.674 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.046 -7.256 -8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.158 -4.912 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.858 -5.373 -10.704 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.593 -5.798 -9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.126 -4.207 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.687 -6.581 -11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.256 -3.360 -11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.344 -3.099 -13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.797 -6.239 -13.944 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.213 -4.721 -14.635 1.00 0.00 H new ATOM 505 N TYR A 37 0.100 -5.129 -8.958 1.00 0.00 N ATOM 506 CA TYR A 37 0.672 -3.901 -8.416 1.00 0.00 C ATOM 507 C TYR A 37 -0.141 -2.685 -8.849 1.00 0.00 C ATOM 508 O TYR A 37 -0.620 -2.614 -9.981 1.00 0.00 O ATOM 509 CB TYR A 37 2.124 -3.746 -8.870 1.00 0.00 C ATOM 510 CG TYR A 37 2.281 -3.633 -10.370 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.950 -2.459 -11.035 1.00 0.00 C ATOM 512 CD2 TYR A 37 2.759 -4.699 -11.121 1.00 0.00 C ATOM 513 CE1 TYR A 37 2.091 -2.350 -12.406 1.00 0.00 C ATOM 514 CE2 TYR A 37 2.904 -4.599 -12.491 1.00 0.00 C ATOM 515 CZ TYR A 37 2.569 -3.423 -13.129 1.00 0.00 C ATOM 516 OH TYR A 37 2.711 -3.320 -14.494 1.00 0.00 O ATOM 0 H TYR A 37 0.073 -5.168 -9.977 1.00 0.00 H new ATOM 0 HA TYR A 37 0.644 -3.966 -7.328 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.550 -2.859 -8.401 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.700 -4.601 -8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.576 -1.617 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.022 -5.622 -10.625 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.828 -1.430 -12.908 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.278 -5.438 -13.060 1.00 0.00 H new ATOM 0 HH TYR A 37 3.060 -4.163 -14.851 1.00 0.00 H new ATOM 526 N PHE A 38 -0.292 -1.728 -7.939 1.00 0.00 N ATOM 527 CA PHE A 38 -1.046 -0.513 -8.224 1.00 0.00 C ATOM 528 C PHE A 38 -0.121 0.697 -8.297 1.00 0.00 C ATOM 529 O PHE A 38 1.055 0.616 -7.940 1.00 0.00 O ATOM 530 CB PHE A 38 -2.116 -0.288 -7.153 1.00 0.00 C ATOM 531 CG PHE A 38 -1.563 -0.220 -5.759 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.181 -1.374 -5.093 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.425 0.998 -5.113 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.671 -1.315 -3.810 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.915 1.064 -3.830 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.539 -0.094 -3.177 1.00 0.00 C ATOM 0 H PHE A 38 0.098 -1.771 -6.998 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.531 -0.636 -9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.647 0.639 -7.370 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.847 -1.094 -7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.283 -2.331 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.719 1.906 -5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.376 -2.222 -3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.811 2.020 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.143 -0.045 -2.174 1.00 0.00 H new ATOM 546 N TYR A 39 -0.659 1.819 -8.761 1.00 0.00 N ATOM 547 CA TYR A 39 0.118 3.047 -8.884 1.00 0.00 C ATOM 548 C TYR A 39 -0.273 4.049 -7.803 1.00 0.00 C ATOM 549 O TYR A 39 -1.387 4.011 -7.279 1.00 0.00 O ATOM 550 CB TYR A 39 -0.084 3.667 -10.268 1.00 0.00 C ATOM 551 CG TYR A 39 0.280 2.740 -11.406 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.608 2.467 -11.709 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.706 2.135 -12.177 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.944 1.621 -12.748 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.379 1.287 -13.217 1.00 0.00 C ATOM 556 CZ TYR A 39 0.947 1.033 -13.499 1.00 0.00 C ATOM 557 OH TYR A 39 1.278 0.189 -14.534 1.00 0.00 O ATOM 0 H TYR A 39 -1.631 1.904 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 39 1.171 2.795 -8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.127 3.967 -10.374 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.517 4.573 -10.342 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.391 2.924 -11.122 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.745 2.331 -11.959 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.982 1.421 -12.971 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.157 0.825 -13.806 1.00 0.00 H new ATOM 0 HH TYR A 39 0.460 -0.142 -14.961 1.00 0.00 H new ATOM 567 N ILE A 40 0.651 4.946 -7.475 1.00 0.00 N ATOM 568 CA ILE A 40 0.403 5.961 -6.458 1.00 0.00 C ATOM 569 C ILE A 40 0.896 7.329 -6.916 1.00 0.00 C ATOM 570 O ILE A 40 2.012 7.462 -7.417 1.00 0.00 O ATOM 571 CB ILE A 40 1.087 5.601 -5.126 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.463 4.336 -4.533 1.00 0.00 C ATOM 573 CG2 ILE A 40 0.979 6.760 -4.146 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.356 3.632 -3.536 1.00 0.00 C ATOM 0 H ILE A 40 1.578 4.991 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.676 5.998 -6.305 1.00 0.00 H new ATOM 0 HB ILE A 40 2.143 5.408 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.476 4.598 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.221 3.647 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.467 6.491 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.464 7.640 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.072 6.980 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.849 2.744 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.286 3.339 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.578 4.305 -2.708 1.00 0.00 H new ATOM 586 N GLN A 41 0.056 8.344 -6.738 1.00 0.00 N ATOM 587 CA GLN A 41 0.407 9.704 -7.132 1.00 0.00 C ATOM 588 C GLN A 41 0.441 10.630 -5.921 1.00 0.00 C ATOM 589 O GLN A 41 -0.483 10.637 -5.107 1.00 0.00 O ATOM 590 CB GLN A 41 -0.590 10.231 -8.165 1.00 0.00 C ATOM 591 CG GLN A 41 -0.466 11.724 -8.424 1.00 0.00 C ATOM 592 CD GLN A 41 0.707 12.065 -9.322 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.978 11.368 -10.300 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.410 13.143 -8.995 1.00 0.00 N ATOM 0 H GLN A 41 -0.871 8.251 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 41 1.402 9.682 -7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.446 9.695 -9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.602 10.013 -7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.386 12.087 -8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.355 12.246 -7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.150 13.692 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.210 13.422 -9.563 1.00 0.00 H new ATOM 603 N ALA A 42 1.511 11.409 -5.808 1.00 0.00 N ATOM 604 CA ALA A 42 1.664 12.341 -4.697 1.00 0.00 C ATOM 605 C ALA A 42 0.957 13.661 -4.986 1.00 0.00 C ATOM 606 O ALA A 42 0.872 14.092 -6.136 1.00 0.00 O ATOM 607 CB ALA A 42 3.138 12.581 -4.410 1.00 0.00 C ATOM 0 H ALA A 42 2.285 11.414 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 42 1.201 11.897 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.238 13.279 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.617 11.637 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.617 13.000 -5.295 1.00 0.00 H new ATOM 613 N VAL A 43 0.450 14.298 -3.935 1.00 0.00 N ATOM 614 CA VAL A 43 -0.249 15.569 -4.076 1.00 0.00 C ATOM 615 C VAL A 43 0.064 16.501 -2.911 1.00 0.00 C ATOM 616 O VAL A 43 0.186 16.061 -1.767 1.00 0.00 O ATOM 617 CB VAL A 43 -1.774 15.365 -4.161 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.493 16.705 -4.163 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.134 14.555 -5.397 1.00 0.00 C ATOM 0 H VAL A 43 0.511 13.954 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 43 0.102 16.022 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.099 14.808 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.569 16.541 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.259 17.245 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.167 17.292 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.215 14.420 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.797 15.083 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.649 13.580 -5.347 1.00 0.00 H new ATOM 629 N ASP A 44 0.191 17.789 -3.208 1.00 0.00 N ATOM 630 CA ASP A 44 0.488 18.784 -2.184 1.00 0.00 C ATOM 631 C ASP A 44 -0.699 18.967 -1.244 1.00 0.00 C ATOM 632 O ASP A 44 -1.737 18.324 -1.403 1.00 0.00 O ATOM 633 CB ASP A 44 0.852 20.121 -2.833 1.00 0.00 C ATOM 634 CG ASP A 44 1.675 21.004 -1.916 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.878 20.720 -1.741 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.115 21.979 -1.371 1.00 0.00 O ATOM 0 H ASP A 44 0.093 18.169 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 44 1.338 18.428 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.409 19.936 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.061 20.646 -3.115 1.00 0.00 H new ATOM 641 N THR A 45 -0.539 19.849 -0.262 1.00 0.00 N ATOM 642 CA THR A 45 -1.596 20.115 0.706 1.00 0.00 C ATOM 643 C THR A 45 -2.648 21.054 0.127 1.00 0.00 C ATOM 644 O THR A 45 -3.540 21.516 0.838 1.00 0.00 O ATOM 645 CB THR A 45 -1.031 20.732 2.000 1.00 0.00 C ATOM 646 OG1 THR A 45 -0.877 22.147 1.841 1.00 0.00 O ATOM 647 CG2 THR A 45 0.310 20.108 2.356 1.00 0.00 C ATOM 0 H THR A 45 0.313 20.391 -0.116 1.00 0.00 H new ATOM 0 HA THR A 45 -2.058 19.156 0.941 1.00 0.00 H new ATOM 0 HB THR A 45 -1.733 20.532 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.519 22.532 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.689 20.559 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.184 19.035 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.019 20.282 1.546 1.00 0.00 H new ATOM 655 N SER A 46 -2.539 21.330 -1.169 1.00 0.00 N ATOM 656 CA SER A 46 -3.480 22.216 -1.843 1.00 0.00 C ATOM 657 C SER A 46 -4.300 21.452 -2.878 1.00 0.00 C ATOM 658 O SER A 46 -5.518 21.606 -2.959 1.00 0.00 O ATOM 659 CB SER A 46 -2.734 23.369 -2.518 1.00 0.00 C ATOM 660 OG SER A 46 -3.638 24.343 -3.010 1.00 0.00 O ATOM 0 H SER A 46 -1.808 20.953 -1.773 1.00 0.00 H new ATOM 0 HA SER A 46 -4.160 22.621 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.050 23.830 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.128 22.984 -3.338 1.00 0.00 H new ATOM 0 HG SER A 46 -3.136 25.070 -3.435 1.00 0.00 H new ATOM 666 N GLY A 47 -3.622 20.625 -3.669 1.00 0.00 N ATOM 667 CA GLY A 47 -4.302 19.848 -4.688 1.00 0.00 C ATOM 668 C GLY A 47 -3.603 19.915 -6.031 1.00 0.00 C ATOM 669 O GLY A 47 -4.252 19.934 -7.076 1.00 0.00 O ATOM 0 H GLY A 47 -2.614 20.480 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.365 18.809 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.324 20.211 -4.795 1.00 0.00 H new ATOM 673 N ASN A 48 -2.275 19.954 -6.004 1.00 0.00 N ATOM 674 CA ASN A 48 -1.487 20.022 -7.229 1.00 0.00 C ATOM 675 C ASN A 48 -0.528 18.839 -7.326 1.00 0.00 C ATOM 676 O ASN A 48 0.106 18.457 -6.343 1.00 0.00 O ATOM 677 CB ASN A 48 -0.702 21.334 -7.283 1.00 0.00 C ATOM 678 CG ASN A 48 -1.599 22.535 -7.512 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.551 23.168 -8.567 1.00 0.00 O ATOM 680 ND2 ASN A 48 -2.422 22.855 -6.521 1.00 0.00 N ATOM 0 H ASN A 48 -1.722 19.940 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.173 19.981 -8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.155 21.465 -6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.038 21.279 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.049 23.654 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.428 22.302 -5.664 1.00 0.00 H new ATOM 687 N LYS A 49 -0.428 18.262 -8.519 1.00 0.00 N ATOM 688 CA LYS A 49 0.454 17.123 -8.747 1.00 0.00 C ATOM 689 C LYS A 49 1.914 17.518 -8.550 1.00 0.00 C ATOM 690 O LYS A 49 2.338 18.597 -8.964 1.00 0.00 O ATOM 691 CB LYS A 49 0.251 16.570 -10.159 1.00 0.00 C ATOM 692 CG LYS A 49 -1.140 16.008 -10.398 1.00 0.00 C ATOM 693 CD LYS A 49 -1.468 15.941 -11.880 1.00 0.00 C ATOM 694 CE LYS A 49 -0.559 14.963 -12.608 1.00 0.00 C ATOM 695 NZ LYS A 49 -0.965 14.781 -14.030 1.00 0.00 N ATOM 0 H LYS A 49 -0.947 18.565 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 49 0.204 16.350 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.442 17.363 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.987 15.787 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.210 15.011 -9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.877 16.630 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.507 15.640 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.366 16.932 -12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.469 15.323 -12.567 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.580 14.000 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.321 14.107 -14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.937 14.413 -14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.921 15.695 -14.523 1.00 0.00 H new ATOM 709 N PHE A 50 2.680 16.636 -7.916 1.00 0.00 N ATOM 710 CA PHE A 50 4.094 16.892 -7.664 1.00 0.00 C ATOM 711 C PHE A 50 4.928 16.608 -8.910 1.00 0.00 C ATOM 712 O PHE A 50 5.812 17.386 -9.271 1.00 0.00 O ATOM 713 CB PHE A 50 4.589 16.035 -6.498 1.00 0.00 C ATOM 714 CG PHE A 50 4.480 16.717 -5.164 1.00 0.00 C ATOM 715 CD1 PHE A 50 5.459 17.600 -4.740 1.00 0.00 C ATOM 716 CD2 PHE A 50 3.397 16.475 -4.334 1.00 0.00 C ATOM 717 CE1 PHE A 50 5.361 18.228 -3.513 1.00 0.00 C ATOM 718 CE2 PHE A 50 3.293 17.100 -3.106 1.00 0.00 C ATOM 719 CZ PHE A 50 4.276 17.979 -2.695 1.00 0.00 C ATOM 0 H PHE A 50 2.346 15.738 -7.567 1.00 0.00 H new ATOM 0 HA PHE A 50 4.207 17.945 -7.405 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.017 15.108 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.630 15.763 -6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.309 17.800 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.625 15.790 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.132 18.913 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.444 16.901 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.197 18.470 -1.737 1.00 0.00 H new ATOM 729 N THR A 51 4.641 15.487 -9.564 1.00 0.00 N ATOM 730 CA THR A 51 5.365 15.098 -10.767 1.00 0.00 C ATOM 731 C THR A 51 6.871 15.214 -10.565 1.00 0.00 C ATOM 732 O THR A 51 7.623 15.400 -11.522 1.00 0.00 O ATOM 733 CB THR A 51 4.953 15.961 -11.975 1.00 0.00 C ATOM 734 OG1 THR A 51 5.786 17.123 -12.054 1.00 0.00 O ATOM 735 CG2 THR A 51 3.495 16.382 -11.866 1.00 0.00 C ATOM 0 H THR A 51 3.912 14.833 -9.280 1.00 0.00 H new ATOM 0 HA THR A 51 5.107 14.058 -10.968 1.00 0.00 H new ATOM 0 HB THR A 51 5.076 15.365 -12.879 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.704 16.854 -12.268 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.226 16.990 -12.730 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.862 15.495 -11.836 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.351 16.962 -10.955 1.00 0.00 H new ATOM 743 N SER A 52 7.306 15.102 -9.314 1.00 0.00 N ATOM 744 CA SER A 52 8.724 15.198 -8.986 1.00 0.00 C ATOM 745 C SER A 52 9.158 14.029 -8.107 1.00 0.00 C ATOM 746 O SER A 52 8.335 13.393 -7.449 1.00 0.00 O ATOM 747 CB SER A 52 9.016 16.521 -8.275 1.00 0.00 C ATOM 748 OG SER A 52 8.122 16.728 -7.195 1.00 0.00 O ATOM 0 H SER A 52 6.697 14.945 -8.511 1.00 0.00 H new ATOM 0 HA SER A 52 9.291 15.161 -9.916 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.042 16.521 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.932 17.345 -8.984 1.00 0.00 H new ATOM 0 HG SER A 52 7.243 16.985 -7.543 1.00 0.00 H new ATOM 754 N SER A 53 10.458 13.751 -8.103 1.00 0.00 N ATOM 755 CA SER A 53 11.003 12.656 -7.309 1.00 0.00 C ATOM 756 C SER A 53 11.183 13.077 -5.854 1.00 0.00 C ATOM 757 O SER A 53 12.015 13.922 -5.524 1.00 0.00 O ATOM 758 CB SER A 53 12.342 12.196 -7.888 1.00 0.00 C ATOM 759 OG SER A 53 12.919 11.175 -7.091 1.00 0.00 O ATOM 0 H SER A 53 11.153 14.269 -8.641 1.00 0.00 H new ATOM 0 HA SER A 53 10.296 11.827 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.196 11.829 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.025 13.043 -7.950 1.00 0.00 H new ATOM 0 HG SER A 53 13.773 10.897 -7.483 1.00 0.00 H new ATOM 765 N PRO A 54 10.384 12.474 -4.961 1.00 0.00 N ATOM 766 CA PRO A 54 10.435 12.769 -3.526 1.00 0.00 C ATOM 767 C PRO A 54 11.714 12.256 -2.874 1.00 0.00 C ATOM 768 O PRO A 54 12.370 12.974 -2.121 1.00 0.00 O ATOM 769 CB PRO A 54 9.216 12.030 -2.968 1.00 0.00 C ATOM 770 CG PRO A 54 8.968 10.925 -3.936 1.00 0.00 C ATOM 771 CD PRO A 54 9.369 11.457 -5.284 1.00 0.00 C ATOM 0 HA PRO A 54 10.427 13.841 -3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.411 11.644 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.353 12.691 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.550 10.041 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.919 10.629 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.776 10.672 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.521 11.890 -5.814 1.00 0.00 H new ATOM 779 N GLY A 55 12.064 11.008 -3.170 1.00 0.00 N ATOM 780 CA GLY A 55 13.264 10.420 -2.604 1.00 0.00 C ATOM 781 C GLY A 55 13.332 8.921 -2.816 1.00 0.00 C ATOM 782 O GLY A 55 12.893 8.414 -3.848 1.00 0.00 O ATOM 0 H GLY A 55 11.538 10.394 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.140 10.887 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.301 10.635 -1.536 1.00 0.00 H new ATOM 786 N GLU A 56 13.884 8.210 -1.838 1.00 0.00 N ATOM 787 CA GLU A 56 14.009 6.760 -1.925 1.00 0.00 C ATOM 788 C GLU A 56 12.841 6.070 -1.227 1.00 0.00 C ATOM 789 O GLU A 56 11.983 5.468 -1.874 1.00 0.00 O ATOM 790 CB GLU A 56 15.331 6.301 -1.305 1.00 0.00 C ATOM 791 CG GLU A 56 15.585 4.810 -1.447 1.00 0.00 C ATOM 792 CD GLU A 56 16.840 4.361 -0.724 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.927 4.888 -1.041 1.00 0.00 O ATOM 794 OE2 GLU A 56 16.735 3.482 0.157 1.00 0.00 O ATOM 0 H GLU A 56 14.252 8.614 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 56 13.995 6.483 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.151 6.847 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.336 6.563 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.729 4.260 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.670 4.559 -2.504 1.00 0.00 H new ATOM 801 N LYS A 57 12.814 6.161 0.098 1.00 0.00 N ATOM 802 CA LYS A 57 11.753 5.547 0.887 1.00 0.00 C ATOM 803 C LYS A 57 10.866 6.610 1.528 1.00 0.00 C ATOM 804 O LYS A 57 11.150 7.091 2.625 1.00 0.00 O ATOM 805 CB LYS A 57 12.349 4.645 1.970 1.00 0.00 C ATOM 806 CG LYS A 57 13.029 3.403 1.421 1.00 0.00 C ATOM 807 CD LYS A 57 12.015 2.374 0.950 1.00 0.00 C ATOM 808 CE LYS A 57 12.618 1.427 -0.076 1.00 0.00 C ATOM 809 NZ LYS A 57 12.665 2.036 -1.434 1.00 0.00 N ATOM 0 H LYS A 57 13.516 6.655 0.649 1.00 0.00 H new ATOM 0 HA LYS A 57 11.141 4.943 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.072 5.218 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.557 4.343 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.680 3.680 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.663 2.964 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.651 1.803 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.154 2.882 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.626 1.151 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.032 0.508 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.312 1.490 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.713 2.027 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.003 3.017 -1.363 1.00 0.00 H new ATOM 823 N VAL A 58 9.791 6.973 0.836 1.00 0.00 N ATOM 824 CA VAL A 58 8.862 7.978 1.338 1.00 0.00 C ATOM 825 C VAL A 58 7.472 7.386 1.546 1.00 0.00 C ATOM 826 O VAL A 58 6.820 7.646 2.558 1.00 0.00 O ATOM 827 CB VAL A 58 8.759 9.178 0.378 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.117 9.839 0.201 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.192 8.739 -0.963 1.00 0.00 C ATOM 0 H VAL A 58 9.542 6.586 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 58 9.255 8.322 2.295 1.00 0.00 H new ATOM 0 HB VAL A 58 8.079 9.911 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.024 10.685 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.480 10.190 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.822 9.117 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.126 9.599 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.845 7.987 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.198 8.316 -0.817 1.00 0.00 H new ATOM 839 N PHE A 59 7.024 6.590 0.581 1.00 0.00 N ATOM 840 CA PHE A 59 5.711 5.961 0.657 1.00 0.00 C ATOM 841 C PHE A 59 5.836 4.481 1.008 1.00 0.00 C ATOM 842 O PHE A 59 6.523 3.726 0.321 1.00 0.00 O ATOM 843 CB PHE A 59 4.967 6.120 -0.670 1.00 0.00 C ATOM 844 CG PHE A 59 4.427 7.504 -0.892 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.447 8.021 -0.060 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.897 8.287 -1.934 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.948 9.294 -0.260 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.402 9.561 -2.139 1.00 0.00 C ATOM 849 CZ PHE A 59 3.425 10.065 -1.302 1.00 0.00 C ATOM 0 H PHE A 59 7.551 6.365 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 59 5.144 6.457 1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.641 5.866 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.143 5.407 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.068 7.422 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.659 7.897 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.186 9.686 0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.779 10.162 -2.953 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.035 11.059 -1.462 1.00 0.00 H new ATOM 859 N GLN A 60 5.166 4.075 2.083 1.00 0.00 N ATOM 860 CA GLN A 60 5.204 2.687 2.526 1.00 0.00 C ATOM 861 C GLN A 60 3.827 2.041 2.411 1.00 0.00 C ATOM 862 O GLN A 60 2.803 2.718 2.506 1.00 0.00 O ATOM 863 CB GLN A 60 5.700 2.603 3.970 1.00 0.00 C ATOM 864 CG GLN A 60 6.007 1.186 4.427 1.00 0.00 C ATOM 865 CD GLN A 60 6.900 1.148 5.652 1.00 0.00 C ATOM 866 OE1 GLN A 60 6.614 1.790 6.663 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.990 0.394 5.567 1.00 0.00 N ATOM 0 H GLN A 60 4.591 4.687 2.662 1.00 0.00 H new ATOM 0 HA GLN A 60 5.895 2.145 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.598 3.212 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.947 3.033 4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.073 0.669 4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.489 0.642 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.188 -0.121 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.629 0.330 6.359 1.00 0.00 H new ATOM 876 N VAL A 61 3.809 0.728 2.206 1.00 0.00 N ATOM 877 CA VAL A 61 2.558 -0.009 2.079 1.00 0.00 C ATOM 878 C VAL A 61 2.589 -1.292 2.902 1.00 0.00 C ATOM 879 O VAL A 61 3.473 -2.132 2.730 1.00 0.00 O ATOM 880 CB VAL A 61 2.261 -0.363 0.609 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.950 -1.126 0.497 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.229 0.896 -0.245 1.00 0.00 C ATOM 0 H VAL A 61 4.647 0.153 2.124 1.00 0.00 H new ATOM 0 HA VAL A 61 1.769 0.642 2.455 1.00 0.00 H new ATOM 0 HB VAL A 61 3.060 -1.006 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.757 -1.367 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.015 -2.047 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.137 -0.511 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.018 0.628 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.451 1.565 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.195 1.398 -0.190 1.00 0.00 H new ATOM 892 N LYS A 62 1.618 -1.438 3.797 1.00 0.00 N ATOM 893 CA LYS A 62 1.532 -2.619 4.647 1.00 0.00 C ATOM 894 C LYS A 62 0.409 -3.542 4.185 1.00 0.00 C ATOM 895 O LYS A 62 -0.652 -3.081 3.762 1.00 0.00 O ATOM 896 CB LYS A 62 1.303 -2.209 6.104 1.00 0.00 C ATOM 897 CG LYS A 62 0.807 -3.343 6.984 1.00 0.00 C ATOM 898 CD LYS A 62 1.899 -4.368 7.241 1.00 0.00 C ATOM 899 CE LYS A 62 2.868 -3.894 8.314 1.00 0.00 C ATOM 900 NZ LYS A 62 4.151 -4.648 8.274 1.00 0.00 N ATOM 0 H LYS A 62 0.879 -0.752 3.952 1.00 0.00 H new ATOM 0 HA LYS A 62 2.476 -3.159 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.236 -1.823 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.580 -1.394 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.454 -2.940 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.044 -3.829 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.448 -5.312 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.444 -4.560 6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.067 -2.831 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.409 -4.011 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.784 -4.296 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.964 -5.659 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.602 -4.516 7.346 1.00 0.00 H new ATOM 914 N VAL A 63 0.648 -4.847 4.270 1.00 0.00 N ATOM 915 CA VAL A 63 -0.345 -5.834 3.863 1.00 0.00 C ATOM 916 C VAL A 63 -0.577 -6.865 4.961 1.00 0.00 C ATOM 917 O VAL A 63 0.371 -7.388 5.546 1.00 0.00 O ATOM 918 CB VAL A 63 0.082 -6.561 2.574 1.00 0.00 C ATOM 919 CG1 VAL A 63 -0.940 -7.622 2.195 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.275 -5.565 1.440 1.00 0.00 C ATOM 0 H VAL A 63 1.521 -5.245 4.617 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.272 -5.292 3.676 1.00 0.00 H new ATOM 0 HB VAL A 63 1.035 -7.058 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.621 -8.125 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.023 -8.351 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.909 -7.151 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.577 -6.096 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.661 -5.038 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.048 -4.847 1.714 1.00 0.00 H new ATOM 930 N SER A 64 -1.846 -7.152 5.237 1.00 0.00 N ATOM 931 CA SER A 64 -2.204 -8.119 6.268 1.00 0.00 C ATOM 932 C SER A 64 -3.604 -8.676 6.028 1.00 0.00 C ATOM 933 O SER A 64 -4.437 -8.035 5.389 1.00 0.00 O ATOM 934 CB SER A 64 -2.131 -7.470 7.652 1.00 0.00 C ATOM 935 OG SER A 64 -2.281 -8.437 8.677 1.00 0.00 O ATOM 0 H SER A 64 -2.643 -6.729 4.761 1.00 0.00 H new ATOM 0 HA SER A 64 -1.492 -8.943 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.175 -6.958 7.767 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.911 -6.714 7.744 1.00 0.00 H new ATOM 0 HG SER A 64 -2.229 -7.998 9.551 1.00 0.00 H new ATOM 941 N ALA A 65 -3.853 -9.874 6.545 1.00 0.00 N ATOM 942 CA ALA A 65 -5.152 -10.518 6.390 1.00 0.00 C ATOM 943 C ALA A 65 -5.963 -10.438 7.679 1.00 0.00 C ATOM 944 O ALA A 65 -5.431 -10.553 8.783 1.00 0.00 O ATOM 945 CB ALA A 65 -4.974 -11.968 5.965 1.00 0.00 C ATOM 0 H ALA A 65 -3.173 -10.419 7.075 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.702 -9.987 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.952 -12.437 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.442 -12.006 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.400 -12.502 6.723 1.00 0.00 H new ATOM 951 N PRO A 66 -7.281 -10.234 7.538 1.00 0.00 N ATOM 952 CA PRO A 66 -8.193 -10.134 8.682 1.00 0.00 C ATOM 953 C PRO A 66 -8.376 -11.468 9.396 1.00 0.00 C ATOM 954 O PRO A 66 -8.493 -11.516 10.620 1.00 0.00 O ATOM 955 CB PRO A 66 -9.510 -9.683 8.046 1.00 0.00 C ATOM 956 CG PRO A 66 -9.434 -10.161 6.637 1.00 0.00 C ATOM 957 CD PRO A 66 -7.983 -10.087 6.252 1.00 0.00 C ATOM 0 HA PRO A 66 -7.817 -9.453 9.445 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.367 -10.113 8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.621 -8.600 8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.809 -11.181 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.044 -9.540 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.712 -10.878 5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.743 -9.140 5.769 1.00 0.00 H new ATOM 965 N GLU A 67 -8.398 -12.550 8.624 1.00 0.00 N ATOM 966 CA GLU A 67 -8.567 -13.885 9.185 1.00 0.00 C ATOM 967 C GLU A 67 -7.244 -14.420 9.726 1.00 0.00 C ATOM 968 O GLU A 67 -7.127 -14.731 10.911 1.00 0.00 O ATOM 969 CB GLU A 67 -9.120 -14.841 8.126 1.00 0.00 C ATOM 970 CG GLU A 67 -10.465 -14.413 7.563 1.00 0.00 C ATOM 971 CD GLU A 67 -11.539 -14.313 8.629 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.730 -15.299 9.372 1.00 0.00 O ATOM 973 OE2 GLU A 67 -12.187 -13.250 8.721 1.00 0.00 O ATOM 0 H GLU A 67 -8.301 -12.528 7.609 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.276 -13.817 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.402 -14.920 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.218 -15.835 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.357 -13.447 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.780 -15.127 6.802 1.00 0.00 H new ATOM 980 N GLU A 68 -6.251 -14.523 8.848 1.00 0.00 N ATOM 981 CA GLU A 68 -4.937 -15.020 9.238 1.00 0.00 C ATOM 982 C GLU A 68 -4.332 -14.156 10.341 1.00 0.00 C ATOM 983 O GLU A 68 -3.882 -13.038 10.090 1.00 0.00 O ATOM 984 CB GLU A 68 -4.000 -15.053 8.029 1.00 0.00 C ATOM 985 CG GLU A 68 -4.520 -15.898 6.879 1.00 0.00 C ATOM 986 CD GLU A 68 -3.644 -15.806 5.644 1.00 0.00 C ATOM 987 OE1 GLU A 68 -2.405 -15.854 5.790 1.00 0.00 O ATOM 988 OE2 GLU A 68 -4.198 -15.685 4.532 1.00 0.00 O ATOM 0 H GLU A 68 -6.331 -14.269 7.863 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.060 -16.033 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.839 -14.034 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.030 -15.438 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.584 -16.938 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.531 -15.579 6.627 1.00 0.00 H new ATOM 995 N GLN A 69 -4.327 -14.681 11.561 1.00 0.00 N ATOM 996 CA GLN A 69 -3.780 -13.957 12.702 1.00 0.00 C ATOM 997 C GLN A 69 -2.333 -13.550 12.445 1.00 0.00 C ATOM 998 O GLN A 69 -1.818 -12.622 13.069 1.00 0.00 O ATOM 999 CB GLN A 69 -3.864 -14.815 13.966 1.00 0.00 C ATOM 1000 CG GLN A 69 -3.130 -16.141 13.851 1.00 0.00 C ATOM 1001 CD GLN A 69 -3.022 -16.866 15.178 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -4.022 -17.081 15.864 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -1.805 -17.247 15.548 1.00 0.00 N ATOM 0 H GLN A 69 -4.696 -15.605 11.785 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.373 -13.054 12.845 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.453 -14.253 14.805 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.912 -15.008 14.195 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.649 -16.778 13.135 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.130 -15.965 13.455 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.004 -17.048 14.949 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.671 -17.739 16.432 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.681 -14.251 11.523 1.00 0.00 N ATOM 1013 CA PHE A 70 -0.292 -13.963 11.185 1.00 0.00 C ATOM 1014 C PHE A 70 -0.094 -13.945 9.672 1.00 0.00 C ATOM 1015 O PHE A 70 -0.297 -14.953 8.994 1.00 0.00 O ATOM 1016 CB PHE A 70 0.635 -15.002 11.819 1.00 0.00 C ATOM 1017 CG PHE A 70 2.090 -14.636 11.737 1.00 0.00 C ATOM 1018 CD1 PHE A 70 2.550 -13.447 12.280 1.00 0.00 C ATOM 1019 CD2 PHE A 70 2.996 -15.482 11.119 1.00 0.00 C ATOM 1020 CE1 PHE A 70 3.888 -13.108 12.205 1.00 0.00 C ATOM 1021 CE2 PHE A 70 4.336 -15.148 11.041 1.00 0.00 C ATOM 1022 CZ PHE A 70 4.782 -13.960 11.586 1.00 0.00 C ATOM 0 H PHE A 70 -2.092 -15.022 10.997 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.045 -12.977 11.579 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.360 -15.132 12.866 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.482 -15.962 11.327 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.856 -12.778 12.767 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.652 -16.413 10.693 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.234 -12.178 12.630 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.032 -15.815 10.555 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.828 -13.697 11.528 1.00 0.00 H new ATOM 1032 N THR A 71 0.303 -12.790 9.147 1.00 0.00 N ATOM 1033 CA THR A 71 0.528 -12.638 7.715 1.00 0.00 C ATOM 1034 C THR A 71 1.956 -12.188 7.427 1.00 0.00 C ATOM 1035 O THR A 71 2.493 -11.320 8.113 1.00 0.00 O ATOM 1036 CB THR A 71 -0.453 -11.622 7.098 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.802 -12.046 7.320 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.204 -11.469 5.605 1.00 0.00 C ATOM 0 H THR A 71 0.475 -11.946 9.693 1.00 0.00 H new ATOM 0 HA THR A 71 0.360 -13.616 7.263 1.00 0.00 H new ATOM 0 HB THR A 71 -0.292 -10.657 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.251 -12.173 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.908 -10.747 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.815 -11.118 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.340 -12.432 5.113 1.00 0.00 H new ATOM 1046 N ARG A 72 2.564 -12.785 6.407 1.00 0.00 N ATOM 1047 CA ARG A 72 3.931 -12.446 6.028 1.00 0.00 C ATOM 1048 C ARG A 72 4.023 -12.149 4.534 1.00 0.00 C ATOM 1049 O ARG A 72 3.865 -13.042 3.702 1.00 0.00 O ATOM 1050 CB ARG A 72 4.881 -13.588 6.392 1.00 0.00 C ATOM 1051 CG ARG A 72 4.476 -14.929 5.803 1.00 0.00 C ATOM 1052 CD ARG A 72 5.227 -16.076 6.460 1.00 0.00 C ATOM 1053 NE ARG A 72 6.630 -16.114 6.057 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.400 -17.191 6.172 1.00 0.00 C ATOM 1055 NH1 ARG A 72 6.904 -18.313 6.675 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.667 -17.147 5.782 1.00 0.00 N ATOM 0 H ARG A 72 2.132 -13.505 5.828 1.00 0.00 H new ATOM 0 HA ARG A 72 4.223 -11.551 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.885 -13.338 6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.929 -13.677 7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.403 -15.075 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.672 -14.931 4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.164 -15.977 7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.749 -17.020 6.198 1.00 0.00 H new ATOM 0 HE ARG A 72 7.042 -15.267 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.930 -18.351 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.497 -19.139 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.051 -16.286 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.257 -17.974 5.871 1.00 0.00 H new ATOM 1070 N VAL A 73 4.279 -10.888 4.202 1.00 0.00 N ATOM 1071 CA VAL A 73 4.393 -10.473 2.809 1.00 0.00 C ATOM 1072 C VAL A 73 5.542 -9.488 2.621 1.00 0.00 C ATOM 1073 O VAL A 73 5.708 -8.554 3.405 1.00 0.00 O ATOM 1074 CB VAL A 73 3.089 -9.824 2.308 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.210 -9.448 0.839 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.910 -10.758 2.532 1.00 0.00 C ATOM 0 H VAL A 73 4.411 -10.136 4.878 1.00 0.00 H new ATOM 0 HA VAL A 73 4.590 -11.373 2.226 1.00 0.00 H new ATOM 0 HB VAL A 73 2.914 -8.912 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.279 -8.991 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.029 -8.740 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.408 -10.343 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.997 -10.284 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.074 -11.688 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.813 -10.972 3.596 1.00 0.00 H new ATOM 1086 N GLY A 74 6.334 -9.704 1.575 1.00 0.00 N ATOM 1087 CA GLY A 74 7.458 -8.827 1.302 1.00 0.00 C ATOM 1088 C GLY A 74 7.105 -7.715 0.335 1.00 0.00 C ATOM 1089 O GLY A 74 7.446 -7.779 -0.847 1.00 0.00 O ATOM 0 H GLY A 74 6.217 -10.470 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.811 -8.392 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.281 -9.413 0.892 1.00 0.00 H new ATOM 1093 N VAL A 75 6.417 -6.693 0.835 1.00 0.00 N ATOM 1094 CA VAL A 75 6.017 -5.563 0.006 1.00 0.00 C ATOM 1095 C VAL A 75 7.192 -4.627 -0.253 1.00 0.00 C ATOM 1096 O VAL A 75 7.924 -4.265 0.668 1.00 0.00 O ATOM 1097 CB VAL A 75 4.874 -4.764 0.661 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.609 -3.480 -0.110 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.615 -5.612 0.751 1.00 0.00 C ATOM 0 H VAL A 75 6.125 -6.625 1.810 1.00 0.00 H new ATOM 0 HA VAL A 75 5.668 -5.974 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 75 5.176 -4.495 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.799 -2.929 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.510 -2.867 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.328 -3.722 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.818 -5.032 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.307 -5.914 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.816 -6.499 1.352 1.00 0.00 H new ATOM 1109 N GLN A 76 7.367 -4.241 -1.513 1.00 0.00 N ATOM 1110 CA GLN A 76 8.455 -3.347 -1.893 1.00 0.00 C ATOM 1111 C GLN A 76 7.965 -2.274 -2.859 1.00 0.00 C ATOM 1112 O GLN A 76 7.236 -2.564 -3.808 1.00 0.00 O ATOM 1113 CB GLN A 76 9.596 -4.142 -2.531 1.00 0.00 C ATOM 1114 CG GLN A 76 10.898 -3.363 -2.629 1.00 0.00 C ATOM 1115 CD GLN A 76 12.062 -4.227 -3.073 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.919 -5.436 -3.255 1.00 0.00 O ATOM 1117 NE2 GLN A 76 13.224 -3.609 -3.249 1.00 0.00 N ATOM 0 H GLN A 76 6.770 -4.533 -2.287 1.00 0.00 H new ATOM 0 HA GLN A 76 8.822 -2.857 -0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.767 -5.048 -1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.294 -4.457 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.772 -2.540 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.127 -2.922 -1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.297 -2.605 -3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.043 -4.139 -3.547 1.00 0.00 H new ATOM 1126 N VAL A 77 8.369 -1.032 -2.611 1.00 0.00 N ATOM 1127 CA VAL A 77 7.972 0.085 -3.459 1.00 0.00 C ATOM 1128 C VAL A 77 9.156 0.617 -4.259 1.00 0.00 C ATOM 1129 O VAL A 77 10.167 1.033 -3.690 1.00 0.00 O ATOM 1130 CB VAL A 77 7.370 1.235 -2.629 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.095 0.781 -1.935 1.00 0.00 C ATOM 1132 CG2 VAL A 77 8.384 1.747 -1.617 1.00 0.00 C ATOM 0 H VAL A 77 8.971 -0.774 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 77 7.214 -0.294 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 77 7.117 2.054 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.684 1.606 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.367 0.465 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.320 -0.054 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.943 2.559 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.669 0.937 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.268 2.112 -2.140 1.00 0.00 H new ATOM 1142 N LEU A 78 9.026 0.600 -5.581 1.00 0.00 N ATOM 1143 CA LEU A 78 10.086 1.080 -6.460 1.00 0.00 C ATOM 1144 C LEU A 78 9.647 2.337 -7.206 1.00 0.00 C ATOM 1145 O LEU A 78 8.453 2.617 -7.320 1.00 0.00 O ATOM 1146 CB LEU A 78 10.479 -0.008 -7.460 1.00 0.00 C ATOM 1147 CG LEU A 78 11.562 -0.984 -6.999 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.927 -0.314 -7.015 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.243 -1.516 -5.609 1.00 0.00 C ATOM 0 H LEU A 78 8.197 0.259 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 78 10.950 1.328 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.586 -0.580 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.819 0.474 -8.376 1.00 0.00 H new ATOM 0 HG LEU A 78 11.585 -1.825 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.685 -1.024 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.158 0.017 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.918 0.546 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.024 -2.209 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.192 -0.686 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.284 -2.035 -5.629 1.00 0.00 H new ATOM 1161 N ASP A 79 10.618 3.088 -7.712 1.00 0.00 N ATOM 1162 CA ASP A 79 10.332 4.313 -8.450 1.00 0.00 C ATOM 1163 C ASP A 79 10.226 4.034 -9.946 1.00 0.00 C ATOM 1164 O ASP A 79 11.203 3.646 -10.586 1.00 0.00 O ATOM 1165 CB ASP A 79 11.420 5.356 -8.189 1.00 0.00 C ATOM 1166 CG ASP A 79 12.724 5.019 -8.885 1.00 0.00 C ATOM 1167 OD1 ASP A 79 12.862 5.352 -10.081 1.00 0.00 O ATOM 1168 OD2 ASP A 79 13.607 4.424 -8.233 1.00 0.00 O ATOM 0 H ASP A 79 11.611 2.870 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 79 9.375 4.702 -8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.072 6.332 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.594 5.435 -7.116 1.00 0.00 H new ATOM 1173 N ARG A 80 9.033 4.234 -10.496 1.00 0.00 N ATOM 1174 CA ARG A 80 8.798 4.001 -11.916 1.00 0.00 C ATOM 1175 C ARG A 80 8.941 5.297 -12.710 1.00 0.00 C ATOM 1176 O ARG A 80 9.707 5.367 -13.671 1.00 0.00 O ATOM 1177 CB ARG A 80 7.404 3.409 -12.134 1.00 0.00 C ATOM 1178 CG ARG A 80 7.343 1.904 -11.929 1.00 0.00 C ATOM 1179 CD ARG A 80 6.247 1.271 -12.770 1.00 0.00 C ATOM 1180 NE ARG A 80 6.632 1.154 -14.174 1.00 0.00 N ATOM 1181 CZ ARG A 80 5.838 0.657 -15.115 1.00 0.00 C ATOM 1182 NH1 ARG A 80 4.621 0.232 -14.804 1.00 0.00 N ATOM 1183 NH2 ARG A 80 6.260 0.584 -16.371 1.00 0.00 N ATOM 0 H ARG A 80 8.214 4.557 -9.980 1.00 0.00 H new ATOM 0 HA ARG A 80 9.546 3.292 -12.271 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.704 3.889 -11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.073 3.643 -13.146 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.304 1.461 -12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.166 1.686 -10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.012 0.283 -12.375 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.339 1.869 -12.692 1.00 0.00 H new ATOM 0 HE ARG A 80 7.562 1.472 -14.447 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.293 0.286 -13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.013 -0.149 -15.529 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.195 0.910 -16.614 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.649 0.202 -17.093 1.00 0.00 H new ATOM 1197 N LYS A 81 8.199 6.320 -12.301 1.00 0.00 N ATOM 1198 CA LYS A 81 8.243 7.614 -12.973 1.00 0.00 C ATOM 1199 C LYS A 81 8.828 8.683 -12.055 1.00 0.00 C ATOM 1200 O LYS A 81 8.998 8.460 -10.857 1.00 0.00 O ATOM 1201 CB LYS A 81 6.839 8.026 -13.423 1.00 0.00 C ATOM 1202 CG LYS A 81 6.147 6.984 -14.285 1.00 0.00 C ATOM 1203 CD LYS A 81 5.150 7.622 -15.238 1.00 0.00 C ATOM 1204 CE LYS A 81 4.766 6.672 -16.361 1.00 0.00 C ATOM 1205 NZ LYS A 81 3.760 5.667 -15.918 1.00 0.00 N ATOM 0 H LYS A 81 7.560 6.279 -11.507 1.00 0.00 H new ATOM 0 HA LYS A 81 8.885 7.520 -13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.227 8.222 -12.542 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.905 8.961 -13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.892 6.429 -14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.633 6.265 -13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.256 7.917 -14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.579 8.531 -15.660 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.365 7.243 -17.198 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.657 6.159 -16.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.525 5.038 -16.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.152 5.105 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.900 6.155 -15.596 1.00 0.00 H new ATOM 1219 N ASP A 82 9.132 9.843 -12.626 1.00 0.00 N ATOM 1220 CA ASP A 82 9.696 10.948 -11.859 1.00 0.00 C ATOM 1221 C ASP A 82 8.871 11.215 -10.604 1.00 0.00 C ATOM 1222 O ASP A 82 9.418 11.451 -9.528 1.00 0.00 O ATOM 1223 CB ASP A 82 9.763 12.212 -12.718 1.00 0.00 C ATOM 1224 CG ASP A 82 10.827 13.180 -12.241 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.823 13.521 -11.040 1.00 0.00 O ATOM 1226 OD2 ASP A 82 11.664 13.597 -13.070 1.00 0.00 O ATOM 0 H ASP A 82 8.997 10.043 -13.617 1.00 0.00 H new ATOM 0 HA ASP A 82 10.706 10.670 -11.557 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.966 11.935 -13.752 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.793 12.708 -12.705 1.00 0.00 H new ATOM 1231 N GLY A 83 7.550 11.176 -10.751 1.00 0.00 N ATOM 1232 CA GLY A 83 6.671 11.417 -9.621 1.00 0.00 C ATOM 1233 C GLY A 83 5.660 10.304 -9.426 1.00 0.00 C ATOM 1234 O GLY A 83 4.488 10.562 -9.150 1.00 0.00 O ATOM 0 H GLY A 83 7.073 10.982 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.269 11.524 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.145 12.360 -9.768 1.00 0.00 H new ATOM 1238 N SER A 84 6.113 9.063 -9.571 1.00 0.00 N ATOM 1239 CA SER A 84 5.238 7.907 -9.415 1.00 0.00 C ATOM 1240 C SER A 84 5.981 6.750 -8.752 1.00 0.00 C ATOM 1241 O SER A 84 7.210 6.744 -8.683 1.00 0.00 O ATOM 1242 CB SER A 84 4.692 7.466 -10.774 1.00 0.00 C ATOM 1243 OG SER A 84 3.497 6.719 -10.625 1.00 0.00 O ATOM 0 H SER A 84 7.081 8.832 -9.796 1.00 0.00 H new ATOM 0 HA SER A 84 4.405 8.196 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.502 8.342 -11.395 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.439 6.864 -11.292 1.00 0.00 H new ATOM 0 HG SER A 84 3.167 6.450 -11.508 1.00 0.00 H new ATOM 1249 N PHE A 85 5.224 5.771 -8.266 1.00 0.00 N ATOM 1250 CA PHE A 85 5.809 4.608 -7.608 1.00 0.00 C ATOM 1251 C PHE A 85 5.012 3.346 -7.925 1.00 0.00 C ATOM 1252 O PHE A 85 3.888 3.418 -8.423 1.00 0.00 O ATOM 1253 CB PHE A 85 5.862 4.826 -6.095 1.00 0.00 C ATOM 1254 CG PHE A 85 7.061 5.610 -5.643 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.184 6.954 -5.958 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.064 5.004 -4.904 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.286 7.678 -5.544 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.168 5.723 -4.487 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.279 7.062 -4.807 1.00 0.00 C ATOM 0 H PHE A 85 4.205 5.760 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 85 6.824 4.479 -7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.958 5.346 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.863 3.857 -5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.410 7.441 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.982 3.957 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.371 8.725 -5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.943 5.239 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.140 7.626 -4.482 1.00 0.00 H new ATOM 1269 N ILE A 86 5.602 2.192 -7.633 1.00 0.00 N ATOM 1270 CA ILE A 86 4.948 0.915 -7.885 1.00 0.00 C ATOM 1271 C ILE A 86 5.031 0.003 -6.665 1.00 0.00 C ATOM 1272 O ILE A 86 6.097 -0.159 -6.070 1.00 0.00 O ATOM 1273 CB ILE A 86 5.570 0.193 -9.095 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.826 -1.115 -9.374 1.00 0.00 C ATOM 1275 CG2 ILE A 86 7.047 -0.074 -8.850 1.00 0.00 C ATOM 1276 CD1 ILE A 86 5.047 -1.649 -10.772 1.00 0.00 C ATOM 0 H ILE A 86 6.532 2.116 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 86 3.902 1.134 -8.101 1.00 0.00 H new ATOM 0 HB ILE A 86 5.477 0.836 -9.970 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.145 -1.866 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.759 -0.957 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.473 -0.585 -9.714 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.567 0.871 -8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.162 -0.700 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.490 -2.577 -10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.701 -0.916 -11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.109 -1.839 -10.925 1.00 0.00 H new ATOM 1288 N VAL A 87 3.900 -0.591 -6.298 1.00 0.00 N ATOM 1289 CA VAL A 87 3.845 -1.489 -5.151 1.00 0.00 C ATOM 1290 C VAL A 87 3.760 -2.944 -5.596 1.00 0.00 C ATOM 1291 O VAL A 87 2.803 -3.346 -6.258 1.00 0.00 O ATOM 1292 CB VAL A 87 2.642 -1.168 -4.245 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.555 -2.166 -3.100 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.737 0.255 -3.716 1.00 0.00 C ATOM 0 H VAL A 87 3.009 -0.466 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 87 4.765 -1.339 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 87 1.731 -1.250 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.699 -1.923 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.436 -3.172 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.468 -2.119 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.878 0.464 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.655 0.368 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.746 0.954 -4.552 1.00 0.00 H new ATOM 1304 N ARG A 88 4.766 -3.730 -5.227 1.00 0.00 N ATOM 1305 CA ARG A 88 4.805 -5.142 -5.588 1.00 0.00 C ATOM 1306 C ARG A 88 5.138 -6.005 -4.375 1.00 0.00 C ATOM 1307 O ARG A 88 5.821 -5.559 -3.452 1.00 0.00 O ATOM 1308 CB ARG A 88 5.835 -5.379 -6.695 1.00 0.00 C ATOM 1309 CG ARG A 88 5.412 -4.831 -8.048 1.00 0.00 C ATOM 1310 CD ARG A 88 6.539 -4.925 -9.064 1.00 0.00 C ATOM 1311 NE ARG A 88 7.698 -4.127 -8.671 1.00 0.00 N ATOM 1312 CZ ARG A 88 8.766 -3.954 -9.441 1.00 0.00 C ATOM 1313 NH1 ARG A 88 8.823 -4.520 -10.639 1.00 0.00 N ATOM 1314 NH2 ARG A 88 9.781 -3.214 -9.014 1.00 0.00 N ATOM 0 H ARG A 88 5.565 -3.413 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 88 3.818 -5.425 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.780 -4.919 -6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.017 -6.450 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.546 -5.384 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.104 -3.791 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.838 -5.967 -9.178 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.180 -4.588 -10.036 1.00 0.00 H new ATOM 0 HE ARG A 88 7.686 -3.678 -7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.045 -5.090 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.645 -4.385 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.742 -2.777 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.601 -3.082 -9.607 1.00 0.00 H new ATOM 1328 N TYR A 89 4.652 -7.241 -4.384 1.00 0.00 N ATOM 1329 CA TYR A 89 4.896 -8.166 -3.283 1.00 0.00 C ATOM 1330 C TYR A 89 4.892 -9.610 -3.774 1.00 0.00 C ATOM 1331 O TYR A 89 4.290 -9.927 -4.800 1.00 0.00 O ATOM 1332 CB TYR A 89 3.839 -7.983 -2.192 1.00 0.00 C ATOM 1333 CG TYR A 89 2.419 -8.041 -2.709 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.803 -6.910 -3.233 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.693 -9.225 -2.674 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.506 -6.958 -3.706 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.396 -9.282 -3.146 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.193 -8.146 -3.660 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.485 -8.199 -4.130 1.00 0.00 O ATOM 0 H TYR A 89 4.087 -7.626 -5.141 1.00 0.00 H new ATOM 0 HA TYR A 89 5.879 -7.946 -2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.973 -8.756 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.999 -7.023 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.348 -5.978 -3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.151 -10.116 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.042 -6.070 -4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.154 -10.211 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.834 -9.109 -4.026 1.00 0.00 H new ATOM 1349 N ARG A 90 5.568 -10.482 -3.032 1.00 0.00 N ATOM 1350 CA ARG A 90 5.644 -11.893 -3.391 1.00 0.00 C ATOM 1351 C ARG A 90 4.641 -12.713 -2.585 1.00 0.00 C ATOM 1352 O ARG A 90 4.406 -12.442 -1.408 1.00 0.00 O ATOM 1353 CB ARG A 90 7.059 -12.425 -3.157 1.00 0.00 C ATOM 1354 CG ARG A 90 7.288 -13.816 -3.725 1.00 0.00 C ATOM 1355 CD ARG A 90 7.689 -13.760 -5.191 1.00 0.00 C ATOM 1356 NE ARG A 90 9.062 -13.295 -5.366 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.614 -13.062 -6.552 1.00 0.00 C ATOM 1358 NH1 ARG A 90 8.913 -13.250 -7.661 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.870 -12.640 -6.629 1.00 0.00 N ATOM 0 H ARG A 90 6.070 -10.236 -2.179 1.00 0.00 H new ATOM 0 HA ARG A 90 5.398 -11.987 -4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.776 -11.736 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.259 -12.442 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.067 -14.320 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.379 -14.408 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.583 -14.750 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.011 -13.096 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 90 9.629 -13.141 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.948 -13.574 -7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.339 -13.070 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.412 -12.494 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.293 -12.461 -7.540 1.00 0.00 H new ATOM 1373 N MET A 91 4.053 -13.717 -3.229 1.00 0.00 N ATOM 1374 CA MET A 91 3.076 -14.577 -2.572 1.00 0.00 C ATOM 1375 C MET A 91 2.914 -15.892 -3.327 1.00 0.00 C ATOM 1376 O MET A 91 2.840 -15.909 -4.556 1.00 0.00 O ATOM 1377 CB MET A 91 1.725 -13.865 -2.469 1.00 0.00 C ATOM 1378 CG MET A 91 0.718 -14.596 -1.596 1.00 0.00 C ATOM 1379 SD MET A 91 0.933 -14.241 0.158 1.00 0.00 S ATOM 1380 CE MET A 91 -0.769 -14.245 0.716 1.00 0.00 C ATOM 0 H MET A 91 4.236 -13.954 -4.204 1.00 0.00 H new ATOM 0 HA MET A 91 3.440 -14.797 -1.569 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.881 -12.863 -2.069 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.308 -13.747 -3.469 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.291 -14.315 -1.899 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.813 -15.669 -1.760 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.802 -14.039 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.329 -13.477 0.182 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.214 -15.221 0.520 1.00 0.00 H new ATOM 1390 N TYR A 92 2.861 -16.993 -2.585 1.00 0.00 N ATOM 1391 CA TYR A 92 2.712 -18.313 -3.185 1.00 0.00 C ATOM 1392 C TYR A 92 1.494 -19.035 -2.616 1.00 0.00 C ATOM 1393 O TYR A 92 1.586 -20.182 -2.180 1.00 0.00 O ATOM 1394 CB TYR A 92 3.971 -19.149 -2.949 1.00 0.00 C ATOM 1395 CG TYR A 92 5.184 -18.639 -3.692 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.985 -17.640 -3.152 1.00 0.00 C ATOM 1397 CD2 TYR A 92 5.530 -19.155 -4.935 1.00 0.00 C ATOM 1398 CE1 TYR A 92 7.095 -17.171 -3.827 1.00 0.00 C ATOM 1399 CE2 TYR A 92 6.639 -18.692 -5.617 1.00 0.00 C ATOM 1400 CZ TYR A 92 7.418 -17.700 -5.059 1.00 0.00 C ATOM 1401 OH TYR A 92 8.522 -17.236 -5.736 1.00 0.00 O ATOM 0 H TYR A 92 2.919 -16.997 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 92 2.567 -18.183 -4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.190 -19.167 -1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.776 -20.178 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.735 -17.223 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.922 -19.931 -5.376 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.707 -16.394 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.894 -19.105 -6.582 1.00 0.00 H new ATOM 0 HH TYR A 92 8.609 -17.714 -6.587 1.00 0.00 H new ATOM 1411 N ALA A 93 0.353 -18.354 -2.626 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.885 -18.930 -2.114 1.00 0.00 C ATOM 1413 C ALA A 93 -2.099 -18.152 -2.610 1.00 0.00 C ATOM 1414 O ALA A 93 -1.966 -17.052 -3.146 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.862 -18.963 -0.593 1.00 0.00 C ATOM 0 H ALA A 93 0.260 -17.403 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.963 -19.951 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.792 -19.395 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.021 -19.569 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.756 -17.949 -0.209 1.00 0.00 H new ATOM 1421 N SER A 94 -3.282 -18.731 -2.428 1.00 0.00 N ATOM 1422 CA SER A 94 -4.519 -18.093 -2.862 1.00 0.00 C ATOM 1423 C SER A 94 -5.140 -17.284 -1.727 1.00 0.00 C ATOM 1424 O SER A 94 -5.219 -17.748 -0.590 1.00 0.00 O ATOM 1425 CB SER A 94 -5.514 -19.145 -3.356 1.00 0.00 C ATOM 1426 OG SER A 94 -5.057 -19.759 -4.549 1.00 0.00 O ATOM 0 H SER A 94 -3.409 -19.640 -1.983 1.00 0.00 H new ATOM 0 HA SER A 94 -4.281 -17.415 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.659 -19.903 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.484 -18.679 -3.532 1.00 0.00 H new ATOM 0 HG SER A 94 -5.710 -20.428 -4.843 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.578 -16.071 -2.045 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.189 -15.194 -1.053 1.00 0.00 C ATOM 1434 C TYR A 95 -7.542 -14.683 -1.538 1.00 0.00 C ATOM 1435 O TYR A 95 -7.651 -14.109 -2.622 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.266 -14.014 -0.747 1.00 0.00 C ATOM 1437 CG TYR A 95 -4.685 -13.363 -1.981 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -5.377 -12.363 -2.654 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -3.445 -13.748 -2.476 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -4.850 -11.766 -3.783 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -2.910 -13.155 -3.603 1.00 0.00 C ATOM 1442 CZ TYR A 95 -3.616 -12.165 -4.253 1.00 0.00 C ATOM 1443 OH TYR A 95 -3.088 -11.573 -5.378 1.00 0.00 O ATOM 0 H TYR A 95 -5.521 -15.672 -2.982 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.344 -15.771 -0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.821 -13.267 -0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.451 -14.357 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.343 -12.047 -2.288 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.890 -14.524 -1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.401 -10.991 -4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -1.944 -13.465 -3.973 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.729 -12.264 -5.973 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.573 -14.895 -0.727 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.920 -14.455 -1.069 1.00 0.00 C ATOM 1455 C LYS A 96 -10.160 -13.023 -0.603 1.00 0.00 C ATOM 1456 O LYS A 96 -10.895 -12.268 -1.238 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.958 -15.388 -0.441 1.00 0.00 C ATOM 1458 CG LYS A 96 -12.233 -15.517 -1.257 1.00 0.00 C ATOM 1459 CD LYS A 96 -12.162 -16.689 -2.221 1.00 0.00 C ATOM 1460 CE LYS A 96 -11.193 -16.416 -3.361 1.00 0.00 C ATOM 1461 NZ LYS A 96 -9.819 -16.899 -3.049 1.00 0.00 N ATOM 0 H LYS A 96 -8.501 -15.370 0.173 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.021 -14.487 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.516 -16.376 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.209 -15.021 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.083 -15.647 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.404 -14.596 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.850 -17.585 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.154 -16.889 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.552 -16.903 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.164 -15.346 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.143 -16.116 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.789 -17.252 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.564 -17.667 -3.702 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.534 -12.655 0.511 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.679 -11.313 1.062 1.00 0.00 C ATOM 1477 C ASN A 97 -8.365 -10.828 1.666 1.00 0.00 C ATOM 1478 O ASN A 97 -7.664 -11.582 2.343 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.781 -11.291 2.123 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.946 -12.194 1.766 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -12.777 -11.850 0.925 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -12.012 -13.355 2.406 1.00 0.00 N ATOM 0 H ASN A 97 -8.922 -13.268 1.049 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.954 -10.641 0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.365 -11.601 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.141 -10.270 2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.774 -14.004 2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.301 -13.598 3.095 1.00 0.00 H new ATOM 1489 N LEU A 98 -8.037 -9.565 1.419 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.807 -8.978 1.940 1.00 0.00 C ATOM 1491 C LEU A 98 -7.028 -7.525 2.348 1.00 0.00 C ATOM 1492 O LEU A 98 -7.972 -6.877 1.895 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.696 -9.062 0.892 1.00 0.00 C ATOM 1494 CG LEU A 98 -5.064 -10.440 0.693 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.136 -10.433 -0.512 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.312 -10.868 1.945 1.00 0.00 C ATOM 0 H LEU A 98 -8.605 -8.927 0.861 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.509 -9.543 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.100 -8.728 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.909 -8.360 1.169 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.861 -11.160 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.696 -11.422 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.702 -10.172 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.344 -9.700 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.869 -11.851 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.525 -10.146 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.003 -10.914 2.787 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.149 -7.017 3.206 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.245 -5.639 3.674 1.00 0.00 C ATOM 1510 C LYS A 99 -5.087 -4.802 3.140 1.00 0.00 C ATOM 1511 O LYS A 99 -3.945 -5.261 3.095 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.255 -5.598 5.204 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.416 -4.199 5.774 1.00 0.00 C ATOM 1514 CD LYS A 99 -5.881 -4.110 7.193 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.875 -4.669 8.199 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.503 -4.320 9.599 1.00 0.00 N ATOM 0 H LYS A 99 -5.362 -7.539 3.591 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.178 -5.218 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.067 -6.226 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.326 -6.028 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.890 -3.484 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.470 -3.920 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.942 -4.659 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.662 -3.070 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.870 -4.281 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.925 -5.753 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.205 -4.719 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.564 -4.711 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.480 -3.286 9.704 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.388 -3.571 2.739 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.372 -2.669 2.210 1.00 0.00 C ATOM 1532 C VAL A 100 -4.118 -1.508 3.165 1.00 0.00 C ATOM 1533 O VAL A 100 -5.042 -1.000 3.799 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.779 -2.109 0.835 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.619 -1.357 0.200 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -5.261 -3.229 -0.075 1.00 0.00 C ATOM 0 H VAL A 100 -6.328 -3.175 2.770 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.458 -3.252 2.099 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.601 -1.408 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.925 -0.968 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.325 -0.529 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.774 -2.034 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.545 -2.815 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.461 -3.956 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.123 -3.719 0.377 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.859 -1.093 3.262 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.484 0.009 4.140 1.00 0.00 C ATOM 1548 C GLU A 101 -1.388 0.862 3.507 1.00 0.00 C ATOM 1549 O GLU A 101 -0.328 0.355 3.138 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.010 -0.526 5.493 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.129 -0.690 6.508 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.652 -1.311 7.807 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -1.765 -2.188 7.753 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.166 -0.921 8.876 1.00 0.00 O ATOM 0 H GLU A 101 -2.082 -1.503 2.744 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.364 0.633 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.523 -1.489 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.259 0.151 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.571 0.284 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.915 -1.312 6.079 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.652 2.158 3.383 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.689 3.081 2.795 1.00 0.00 C ATOM 1563 C ILE A 102 -0.424 4.263 3.721 1.00 0.00 C ATOM 1564 O ILE A 102 -1.328 5.038 4.031 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.176 3.609 1.433 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.773 2.471 0.603 1.00 0.00 C ATOM 1567 CG2 ILE A 102 -0.032 4.275 0.683 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -3.205 2.145 0.966 1.00 0.00 C ATOM 0 H ILE A 102 -2.525 2.593 3.682 1.00 0.00 H new ATOM 0 HA ILE A 102 0.236 2.523 2.650 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.953 4.353 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.726 2.739 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.162 1.578 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.392 4.643 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.351 5.109 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.766 3.551 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.563 1.329 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.256 1.846 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.829 3.025 0.809 1.00 0.00 H new ATOM 1580 N LYS A 103 0.823 4.396 4.159 1.00 0.00 N ATOM 1581 CA LYS A 103 1.211 5.485 5.047 1.00 0.00 C ATOM 1582 C LYS A 103 2.467 6.184 4.536 1.00 0.00 C ATOM 1583 O LYS A 103 3.253 5.601 3.788 1.00 0.00 O ATOM 1584 CB LYS A 103 1.450 4.955 6.463 1.00 0.00 C ATOM 1585 CG LYS A 103 0.283 4.158 7.019 1.00 0.00 C ATOM 1586 CD LYS A 103 0.647 3.475 8.327 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.462 2.548 8.799 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.469 2.402 10.281 1.00 0.00 N ATOM 0 H LYS A 103 1.583 3.762 3.913 1.00 0.00 H new ATOM 0 HA LYS A 103 0.397 6.210 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.340 4.326 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.654 5.795 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.568 4.820 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.027 3.409 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.568 2.906 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.842 4.228 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.425 2.936 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.337 1.568 8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.239 1.763 10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.441 2.008 10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.614 3.333 10.721 1.00 0.00 H new ATOM 1602 N PHE A 104 2.650 7.435 4.944 1.00 0.00 N ATOM 1603 CA PHE A 104 3.811 8.213 4.528 1.00 0.00 C ATOM 1604 C PHE A 104 4.443 8.927 5.719 1.00 0.00 C ATOM 1605 O PHE A 104 3.963 9.973 6.154 1.00 0.00 O ATOM 1606 CB PHE A 104 3.411 9.234 3.460 1.00 0.00 C ATOM 1607 CG PHE A 104 4.292 10.449 3.433 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.463 10.456 2.693 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.951 11.585 4.150 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.277 11.573 2.665 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.760 12.706 4.126 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.925 12.699 3.384 1.00 0.00 C ATOM 0 H PHE A 104 2.009 7.932 5.563 1.00 0.00 H new ATOM 0 HA PHE A 104 4.546 7.526 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.438 8.754 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.381 9.546 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.744 9.578 2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.043 11.595 4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.186 11.565 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.481 13.586 4.687 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.560 13.573 3.366 1.00 0.00 H new ATOM 1622 N GLN A 105 5.523 8.353 6.240 1.00 0.00 N ATOM 1623 CA GLN A 105 6.220 8.933 7.381 1.00 0.00 C ATOM 1624 C GLN A 105 5.306 9.002 8.600 1.00 0.00 C ATOM 1625 O GLN A 105 5.462 9.870 9.457 1.00 0.00 O ATOM 1626 CB GLN A 105 6.734 10.332 7.035 1.00 0.00 C ATOM 1627 CG GLN A 105 8.016 10.324 6.218 1.00 0.00 C ATOM 1628 CD GLN A 105 8.177 11.572 5.373 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.581 11.392 4.121 1.00 0.00 O flip ATOM 1630 NE2 GLN A 105 7.940 12.687 5.840 1.00 0.00 N flip ATOM 0 H GLN A 105 5.934 7.487 5.890 1.00 0.00 H new ATOM 0 HA GLN A 105 7.068 8.291 7.621 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.963 10.867 6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.905 10.886 7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.870 10.232 6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.024 9.448 5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.632 12.780 6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.052 13.518 5.259 1.00 0.00 H new ATOM 1639 N GLY A 106 4.352 8.079 8.671 1.00 0.00 N ATOM 1640 CA GLY A 106 3.427 8.052 9.789 1.00 0.00 C ATOM 1641 C GLY A 106 2.164 8.846 9.515 1.00 0.00 C ATOM 1642 O GLY A 106 1.551 9.384 10.436 1.00 0.00 O ATOM 0 H GLY A 106 4.203 7.349 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.162 7.019 10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.920 8.453 10.674 1.00 0.00 H new ATOM 1646 N GLN A 107 1.777 8.920 8.246 1.00 0.00 N ATOM 1647 CA GLN A 107 0.581 9.656 7.854 1.00 0.00 C ATOM 1648 C GLN A 107 -0.181 8.914 6.761 1.00 0.00 C ATOM 1649 O GLN A 107 0.317 8.746 5.648 1.00 0.00 O ATOM 1650 CB GLN A 107 0.955 11.058 7.370 1.00 0.00 C ATOM 1651 CG GLN A 107 1.452 11.972 8.479 1.00 0.00 C ATOM 1652 CD GLN A 107 2.026 13.272 7.950 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.390 13.968 7.158 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.234 13.607 8.387 1.00 0.00 N ATOM 0 H GLN A 107 2.274 8.479 7.472 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.065 9.741 8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.727 10.975 6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.085 11.514 6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.629 12.193 9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.214 11.452 9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.725 13.000 9.043 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.671 14.471 8.066 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.392 8.472 7.087 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.223 7.747 6.132 1.00 0.00 C ATOM 1665 C HIS A 108 -2.344 8.520 4.822 1.00 0.00 C ATOM 1666 O HIS A 108 -2.276 9.749 4.805 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.612 7.498 6.720 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.706 6.235 7.520 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.971 5.005 6.956 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.567 6.016 8.848 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.992 4.084 7.903 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.749 4.671 9.061 1.00 0.00 N ATOM 0 H HIS A 108 -1.819 8.603 8.004 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.746 6.789 5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.886 8.341 7.354 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.339 7.460 5.909 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.353 6.760 9.601 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.177 3.030 7.755 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.704 4.202 9.966 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.522 7.790 3.725 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.653 8.406 2.410 1.00 0.00 C ATOM 1683 C VAL A 109 -4.069 8.251 1.868 1.00 0.00 C ATOM 1684 O VAL A 109 -4.680 9.217 1.412 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.660 7.795 1.403 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.670 8.580 0.100 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.260 7.749 1.997 1.00 0.00 C ATOM 0 H VAL A 109 -2.579 6.772 3.721 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.429 9.466 2.534 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.971 6.773 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.963 8.134 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.671 8.556 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.384 9.613 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.429 7.315 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.064 8.760 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.268 7.139 2.901 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.587 7.028 1.922 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.933 6.746 1.440 1.00 0.00 C ATOM 1699 C ALA A 110 -6.856 6.352 2.587 1.00 0.00 C ATOM 1700 O ALA A 110 -6.471 6.407 3.755 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.897 5.648 0.387 1.00 0.00 C ATOM 0 H ALA A 110 -4.094 6.217 2.295 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.328 7.655 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.909 5.447 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.279 5.968 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.477 4.741 0.822 1.00 0.00 H new ATOM 1707 N LYS A 111 -8.078 5.953 2.248 1.00 0.00 N ATOM 1708 CA LYS A 111 -9.057 5.549 3.249 1.00 0.00 C ATOM 1709 C LYS A 111 -8.736 4.161 3.794 1.00 0.00 C ATOM 1710 O LYS A 111 -9.608 3.294 3.865 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.465 5.559 2.649 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.095 6.940 2.601 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.570 7.384 3.975 1.00 0.00 C ATOM 1714 CE LYS A 111 -13.007 6.959 4.233 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.698 7.881 5.176 1.00 0.00 N ATOM 0 H LYS A 111 -8.413 5.901 1.286 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.014 6.263 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.423 5.152 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.105 4.897 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.371 7.658 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.937 6.933 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.921 6.959 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.490 8.468 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.552 6.930 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.019 5.948 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.675 7.557 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.193 7.890 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.709 8.841 4.777 1.00 0.00 H new ATOM 1729 N SER A 112 -7.481 3.957 4.180 1.00 0.00 N ATOM 1730 CA SER A 112 -7.045 2.674 4.717 1.00 0.00 C ATOM 1731 C SER A 112 -7.214 2.633 6.233 1.00 0.00 C ATOM 1732 O SER A 112 -7.332 3.663 6.898 1.00 0.00 O ATOM 1733 CB SER A 112 -5.583 2.413 4.349 1.00 0.00 C ATOM 1734 OG SER A 112 -5.485 1.687 3.135 1.00 0.00 O ATOM 0 H SER A 112 -6.748 4.664 4.131 1.00 0.00 H new ATOM 0 HA SER A 112 -7.668 1.895 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.054 3.361 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.097 1.856 5.150 1.00 0.00 H new ATOM 0 HG SER A 112 -6.203 1.965 2.529 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.225 1.415 6.794 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.086 0.182 6.013 1.00 0.00 C ATOM 1742 C PRO A 113 -8.310 -0.097 5.147 1.00 0.00 C ATOM 1743 O PRO A 113 -9.410 0.371 5.442 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.930 -0.900 7.084 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.599 -0.339 8.290 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.376 1.147 8.234 1.00 0.00 C ATOM 0 HA PRO A 113 -6.251 0.233 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.395 -1.835 6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.879 -1.116 7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.663 -0.574 8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.178 -0.763 9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.216 1.696 8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.488 1.441 8.793 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.111 -0.861 4.079 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.199 -1.201 3.170 1.00 0.00 C ATOM 1756 C TYR A 114 -9.727 -2.604 3.453 1.00 0.00 C ATOM 1757 O TYR A 114 -9.092 -3.600 3.106 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.726 -1.105 1.718 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.637 0.314 1.203 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.780 1.013 0.835 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.410 0.954 1.083 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.703 2.309 0.363 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.324 2.251 0.614 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.473 2.924 0.255 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.392 4.215 -0.214 1.00 0.00 O ATOM 0 H TYR A 114 -7.207 -1.257 3.821 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.009 -0.489 3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.747 -1.576 1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.409 -1.671 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.745 0.535 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.508 0.429 1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.601 2.838 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.362 2.735 0.529 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.282 4.626 -0.197 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.895 -2.673 4.084 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.510 -3.953 4.412 1.00 0.00 C ATOM 1777 C ILE A 115 -12.369 -4.462 3.259 1.00 0.00 C ATOM 1778 O ILE A 115 -13.371 -3.843 2.897 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.380 -3.851 5.679 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.656 -3.042 6.757 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.729 -5.239 6.195 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.297 -3.598 7.118 1.00 0.00 C ATOM 0 H ILE A 115 -11.434 -1.858 4.378 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.697 -4.656 4.594 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.306 -3.336 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.539 -2.015 6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.276 -3.009 7.653 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.344 -5.150 7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.280 -5.784 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.813 -5.779 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.842 -2.975 7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.408 -4.615 7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.660 -3.605 6.233 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.972 -5.593 2.686 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.706 -6.187 1.575 1.00 0.00 C ATOM 1796 C LEU A 116 -13.075 -7.635 1.879 1.00 0.00 C ATOM 1797 O LEU A 116 -12.277 -8.387 2.437 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.873 -6.119 0.293 1.00 0.00 C ATOM 1799 CG LEU A 116 -11.553 -4.717 -0.225 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -10.314 -4.164 0.461 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -11.364 -4.737 -1.735 1.00 0.00 C ATOM 0 H LEU A 116 -11.145 -6.117 2.973 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.626 -5.619 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.934 -6.644 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.403 -6.662 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.394 -4.064 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.102 -3.165 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.486 -4.113 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.465 -4.817 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.137 -3.731 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.541 -5.405 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.279 -5.090 -2.212 1.00 0.00 H new ATOM 1813 N LYS A 117 -14.291 -8.021 1.505 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.767 -9.380 1.734 1.00 0.00 C ATOM 1815 C LYS A 117 -16.007 -9.671 0.895 1.00 0.00 C ATOM 1816 O LYS A 117 -16.711 -8.754 0.473 1.00 0.00 O ATOM 1817 CB LYS A 117 -15.080 -9.590 3.217 1.00 0.00 C ATOM 1818 CG LYS A 117 -16.071 -8.584 3.777 1.00 0.00 C ATOM 1819 CD LYS A 117 -16.422 -8.894 5.223 1.00 0.00 C ATOM 1820 CE LYS A 117 -15.367 -8.362 6.180 1.00 0.00 C ATOM 1821 NZ LYS A 117 -14.143 -9.211 6.184 1.00 0.00 N ATOM 0 H LYS A 117 -14.965 -7.411 1.042 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.978 -10.070 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.477 -10.595 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.153 -9.531 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.650 -7.581 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.978 -8.589 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.389 -8.454 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.520 -9.972 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -15.101 -7.343 5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -15.781 -8.316 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.798 -9.318 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -14.369 -10.147 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.407 -8.761 5.604 1.00 0.00 H new