USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 TYR OH : rot -129:sc= -2.9! USER MOD Set 1.2: A 81 ASN : amide:sc= -4.58 K(o=-4,f=-8.8!) USER MOD Set 1.3: A 82 THR OG1 : rot -81:sc= 1.7 USER MOD Set 1.4: A 98 THR OG1 : rot -160:sc= 1.73 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.708 K(o=-1,f=-0.41) USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= -0.31 USER MOD Single : A 10 SER OG : rot 180:sc= -0.447 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= -0.0262 (180deg=-0.138) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -3.05! (180deg=-4.97!) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc=-0.00146 (180deg=-0.268) USER MOD Single : A 34 HIS : no HD1:sc= -4.75! C(o=-4.8!,f=-6!) USER MOD Single : A 39 SER OG : rot -70:sc= 0.252 USER MOD Single : A 48 ASN : amide:sc= -4.14! C(o=-4.1!,f=-13!) USER MOD Single : A 54 THR OG1 : rot -48:sc= 0.951 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 58 CYS SG : rot 170:sc= -0.876 USER MOD Single : A 60 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.033) USER MOD Single : A 64 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.0011) USER MOD Single : A 68 SER OG : rot 106:sc= 1.17 USER MOD Single : A 70 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.6) USER MOD Single : A 71 THR OG1 : rot -25:sc= 0.879 USER MOD Single : A 73 SER OG : rot -151:sc= -0.146 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 134:sc= -0.567 USER MOD Single : A 88 CYS SG : rot 20:sc= -3.92! USER MOD Single : A 90 HIS : no HD1:sc= -5.48! C(o=-5.5!,f=-9.1!) USER MOD Single : A 91 GLN : amide:sc= -0.113 K(o=-0.11,f=0.57) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= -2.25! (180deg=-3.52!) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= -0.175 (180deg=-0.674) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 0.909 12.605 6.032 1.00 0.00 N ATOM 117 CA LEU A 9 2.047 12.285 6.882 1.00 0.00 C ATOM 118 C LEU A 9 2.250 13.378 7.934 1.00 0.00 C ATOM 119 O LEU A 9 1.522 14.370 7.950 1.00 0.00 O ATOM 120 CB LEU A 9 3.271 12.071 5.979 1.00 0.00 C ATOM 121 CG LEU A 9 3.320 10.784 5.174 1.00 0.00 C ATOM 122 CD1 LEU A 9 4.195 10.945 3.939 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.868 9.673 6.065 1.00 0.00 C ATOM 0 HA LEU A 9 1.876 11.366 7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.328 12.908 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.164 12.114 6.603 1.00 0.00 H new ATOM 0 HG LEU A 9 2.314 10.533 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.213 10.009 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.791 11.736 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.209 11.205 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.909 8.741 5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.870 9.938 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.216 9.545 6.929 1.00 0.00 H new ATOM 135 N SER A 10 3.375 13.290 8.637 1.00 0.00 N ATOM 136 CA SER A 10 3.923 14.435 9.361 1.00 0.00 C ATOM 137 C SER A 10 5.001 15.114 8.515 1.00 0.00 C ATOM 138 O SER A 10 5.361 14.603 7.451 1.00 0.00 O ATOM 139 CB SER A 10 4.469 14.025 10.720 1.00 0.00 C ATOM 140 OG SER A 10 5.633 13.227 10.593 1.00 0.00 O ATOM 0 H SER A 10 3.927 12.436 8.722 1.00 0.00 H new ATOM 0 HA SER A 10 3.118 15.147 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.699 14.916 11.304 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.706 13.473 11.268 1.00 0.00 H new ATOM 0 HG SER A 10 5.960 12.982 11.484 1.00 0.00 H new ATOM 146 N GLY A 11 5.710 16.043 9.148 1.00 0.00 N ATOM 147 CA GLY A 11 6.910 16.630 8.570 1.00 0.00 C ATOM 148 C GLY A 11 7.961 15.553 8.316 1.00 0.00 C ATOM 149 O GLY A 11 8.312 15.274 7.170 1.00 0.00 O ATOM 0 H GLY A 11 5.470 16.407 10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.662 17.133 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.312 17.388 9.243 1.00 0.00 H new ATOM 153 N GLY A 12 8.247 14.786 9.367 1.00 0.00 N ATOM 154 CA GLY A 12 9.266 13.749 9.298 1.00 0.00 C ATOM 155 C GLY A 12 8.893 12.703 8.253 1.00 0.00 C ATOM 156 O GLY A 12 9.707 12.335 7.409 1.00 0.00 O ATOM 0 H GLY A 12 7.786 14.866 10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.229 14.194 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.377 13.274 10.273 1.00 0.00 H new ATOM 160 N GLU A 13 7.695 12.147 8.404 1.00 0.00 N ATOM 161 CA GLU A 13 7.286 10.976 7.642 1.00 0.00 C ATOM 162 C GLU A 13 7.166 11.324 6.160 1.00 0.00 C ATOM 163 O GLU A 13 7.396 10.475 5.298 1.00 0.00 O ATOM 164 CB GLU A 13 5.945 10.498 8.211 1.00 0.00 C ATOM 165 CG GLU A 13 5.729 10.129 9.565 1.00 0.00 C ATOM 166 CD GLU A 13 4.348 9.683 9.940 1.00 0.00 C ATOM 167 OE1 GLU A 13 3.659 8.941 9.262 1.00 0.00 O ATOM 168 OE2 GLU A 13 3.952 10.212 11.002 1.00 0.00 O ATOM 0 H GLU A 13 6.987 12.493 9.052 1.00 0.00 H new ATOM 0 HA GLU A 13 8.027 10.181 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.227 11.290 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.655 9.634 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.422 9.325 9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.992 10.980 10.193 1.00 0.00 H new ATOM 175 N LEU A 14 7.025 12.617 5.885 1.00 0.00 N ATOM 176 CA LEU A 14 7.257 13.157 4.552 1.00 0.00 C ATOM 177 C LEU A 14 8.706 12.905 4.129 1.00 0.00 C ATOM 178 O LEU A 14 8.953 12.457 3.006 1.00 0.00 O ATOM 179 CB LEU A 14 6.876 14.644 4.570 1.00 0.00 C ATOM 180 CG LEU A 14 5.947 15.136 3.473 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.418 14.671 2.103 1.00 0.00 C ATOM 182 CD2 LEU A 14 4.542 14.617 3.755 1.00 0.00 C ATOM 0 H LEU A 14 6.749 13.315 6.576 1.00 0.00 H new ATOM 0 HA LEU A 14 6.638 12.660 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.409 14.862 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.795 15.229 4.522 1.00 0.00 H new ATOM 0 HG LEU A 14 5.948 16.226 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.733 15.039 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.418 15.059 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.440 13.582 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.863 14.962 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.553 13.527 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.204 14.990 4.722 1.00 0.00 H new ATOM 194 N ASP A 15 9.623 13.490 4.893 1.00 0.00 N ATOM 195 CA ASP A 15 11.021 13.576 4.498 1.00 0.00 C ATOM 196 C ASP A 15 11.610 12.177 4.323 1.00 0.00 C ATOM 197 O ASP A 15 12.553 11.983 3.558 1.00 0.00 O ATOM 198 CB ASP A 15 11.820 14.476 5.438 1.00 0.00 C ATOM 199 CG ASP A 15 13.279 14.613 5.043 1.00 0.00 C ATOM 200 OD1 ASP A 15 13.521 15.369 4.079 1.00 0.00 O ATOM 201 OD2 ASP A 15 14.161 13.983 5.645 1.00 0.00 O ATOM 0 H ASP A 15 9.418 13.915 5.797 1.00 0.00 H new ATOM 0 HA ASP A 15 11.086 14.062 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.362 15.465 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.761 14.076 6.450 1.00 0.00 H new ATOM 206 N LYS A 16 10.926 11.197 4.902 1.00 0.00 N ATOM 207 CA LYS A 16 11.209 9.794 4.635 1.00 0.00 C ATOM 208 C LYS A 16 10.374 9.299 3.457 1.00 0.00 C ATOM 209 O LYS A 16 10.878 8.599 2.579 1.00 0.00 O ATOM 210 CB LYS A 16 10.921 8.914 5.852 1.00 0.00 C ATOM 211 CG LYS A 16 11.961 7.817 6.085 1.00 0.00 C ATOM 212 CD LYS A 16 12.241 6.986 4.847 1.00 0.00 C ATOM 213 CE LYS A 16 13.480 6.194 4.900 1.00 0.00 C ATOM 214 NZ LYS A 16 14.354 6.474 3.733 1.00 0.00 N ATOM 0 H LYS A 16 10.166 11.352 5.564 1.00 0.00 H new ATOM 0 HA LYS A 16 12.270 9.721 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.868 9.545 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.941 8.452 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.890 8.273 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.615 7.161 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.402 6.310 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.288 7.650 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.018 6.419 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.234 5.132 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.218 5.900 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.849 6.236 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.608 7.482 3.724 1.00 0.00 H new ATOM 228 N TRP A 17 9.187 9.887 3.323 1.00 0.00 N ATOM 229 CA TRP A 17 8.286 9.561 2.231 1.00 0.00 C ATOM 230 C TRP A 17 8.820 10.098 0.909 1.00 0.00 C ATOM 231 O TRP A 17 8.427 9.648 -0.167 1.00 0.00 O ATOM 232 CB TRP A 17 6.862 10.044 2.519 1.00 0.00 C ATOM 233 CG TRP A 17 5.877 9.735 1.435 1.00 0.00 C ATOM 234 CD1 TRP A 17 5.751 10.370 0.229 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.081 8.541 1.339 1.00 0.00 C ATOM 236 NE1 TRP A 17 4.943 9.640 -0.613 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.481 8.544 0.059 1.00 0.00 C ATOM 238 CE3 TRP A 17 4.804 7.506 2.224 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.603 7.549 -0.347 1.00 0.00 C ATOM 240 CZ3 TRP A 17 3.963 6.493 1.803 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.333 6.539 0.561 1.00 0.00 C ATOM 0 H TRP A 17 8.829 10.595 3.964 1.00 0.00 H new ATOM 0 HA TRP A 17 8.237 8.476 2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.517 9.589 3.448 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.882 11.122 2.680 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.219 11.310 -0.026 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.725 9.878 -1.580 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.234 7.493 3.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.150 7.562 -1.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.790 5.647 2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.619 5.771 0.301 1.00 0.00 H new ATOM 252 N GLU A 18 9.826 10.968 0.996 1.00 0.00 N ATOM 253 CA GLU A 18 10.177 11.821 -0.140 1.00 0.00 C ATOM 254 C GLU A 18 11.298 11.190 -0.957 1.00 0.00 C ATOM 255 O GLU A 18 12.017 11.887 -1.677 1.00 0.00 O ATOM 256 CB GLU A 18 10.597 13.182 0.429 1.00 0.00 C ATOM 257 CG GLU A 18 11.238 14.206 -0.315 1.00 0.00 C ATOM 258 CD GLU A 18 12.724 14.338 -0.158 1.00 0.00 C ATOM 259 OE1 GLU A 18 13.035 14.974 0.873 1.00 0.00 O ATOM 260 OE2 GLU A 18 13.537 13.937 -0.973 1.00 0.00 O ATOM 0 H GLU A 18 10.404 11.100 1.826 1.00 0.00 H new ATOM 0 HA GLU A 18 9.329 11.942 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.691 13.629 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.254 12.966 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.023 14.042 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.783 15.158 -0.041 1.00 0.00 H new ATOM 267 N LYS A 19 11.307 9.863 -1.002 1.00 0.00 N ATOM 268 CA LYS A 19 12.010 9.126 -2.050 1.00 0.00 C ATOM 269 C LYS A 19 11.878 7.625 -1.810 1.00 0.00 C ATOM 270 O LYS A 19 12.701 7.024 -1.109 1.00 0.00 O ATOM 271 CB LYS A 19 13.487 9.506 -2.124 1.00 0.00 C ATOM 272 CG LYS A 19 13.839 10.414 -3.304 1.00 0.00 C ATOM 273 CD LYS A 19 14.884 9.814 -4.226 1.00 0.00 C ATOM 274 CE LYS A 19 16.242 9.750 -3.663 1.00 0.00 C ATOM 275 NZ LYS A 19 16.631 8.353 -3.339 1.00 0.00 N ATOM 0 H LYS A 19 10.833 9.270 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 19 11.549 9.392 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.770 10.006 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.083 8.596 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.935 10.623 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.203 11.369 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.571 8.806 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.915 10.398 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.952 10.171 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.293 10.361 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.210 8.345 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.776 7.781 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.180 7.954 -4.127 1.00 0.00 H new ATOM 289 N ILE A 20 10.654 7.129 -2.030 1.00 0.00 N ATOM 290 CA ILE A 20 10.449 5.674 -2.046 1.00 0.00 C ATOM 291 C ILE A 20 10.468 5.170 -3.479 1.00 0.00 C ATOM 292 O ILE A 20 9.457 5.206 -4.185 1.00 0.00 O ATOM 293 CB ILE A 20 9.166 5.302 -1.235 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.489 5.421 0.292 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.553 3.926 -1.565 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.250 5.677 1.178 1.00 0.00 C ATOM 0 H ILE A 20 9.818 7.689 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 20 11.267 5.160 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 20 8.394 6.011 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.976 4.504 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.202 6.232 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.668 3.765 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.272 3.896 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.284 3.144 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.557 5.747 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.774 6.610 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.544 4.855 1.062 1.00 0.00 H new ATOM 308 N ARG A 21 11.576 4.525 -3.838 1.00 0.00 N ATOM 309 CA ARG A 21 11.791 4.067 -5.201 1.00 0.00 C ATOM 310 C ARG A 21 10.708 3.073 -5.610 1.00 0.00 C ATOM 311 O ARG A 21 10.301 2.227 -4.814 1.00 0.00 O ATOM 312 CB ARG A 21 13.174 3.424 -5.375 1.00 0.00 C ATOM 313 CG ARG A 21 13.527 3.060 -6.811 1.00 0.00 C ATOM 314 CD ARG A 21 14.760 2.224 -6.880 1.00 0.00 C ATOM 315 NE ARG A 21 14.548 0.887 -6.345 1.00 0.00 N ATOM 316 CZ ARG A 21 15.545 0.075 -5.989 1.00 0.00 C ATOM 317 NH1 ARG A 21 16.800 0.508 -5.911 1.00 0.00 N ATOM 318 NH2 ARG A 21 15.269 -1.184 -5.649 1.00 0.00 N ATOM 0 H ARG A 21 12.340 4.309 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 21 11.741 4.944 -5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.930 4.109 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.221 2.523 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.696 2.521 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.671 3.971 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.090 2.151 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.560 2.713 -6.325 1.00 0.00 H new ATOM 0 HE ARG A 21 13.590 0.554 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.018 1.481 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.544 -0.133 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.305 -1.516 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.022 -1.815 -5.375 1.00 0.00 H new ATOM 464 N TYR A 30 9.259 7.559 -5.382 1.00 0.00 N ATOM 465 CA TYR A 30 8.058 8.080 -4.759 1.00 0.00 C ATOM 466 C TYR A 30 8.338 9.504 -4.208 1.00 0.00 C ATOM 467 O TYR A 30 9.085 9.586 -3.214 1.00 0.00 O ATOM 468 CB TYR A 30 7.562 7.191 -3.613 1.00 0.00 C ATOM 469 CG TYR A 30 6.698 6.009 -4.010 1.00 0.00 C ATOM 470 CD1 TYR A 30 6.875 5.372 -5.239 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.853 5.398 -3.074 1.00 0.00 C ATOM 472 CE1 TYR A 30 6.335 4.113 -5.490 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.283 4.148 -3.318 1.00 0.00 C ATOM 474 CZ TYR A 30 5.461 3.551 -4.566 1.00 0.00 C ATOM 475 OH TYR A 30 4.743 2.451 -4.952 1.00 0.00 O ATOM 0 HA TYR A 30 7.281 8.105 -5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.429 6.815 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.996 7.811 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.443 5.866 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.639 5.905 -2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.592 3.579 -6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.711 3.649 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 30 3.794 2.593 -4.751 1.00 0.00 H new ATOM 485 N LYS A 31 7.286 10.319 -4.343 1.00 0.00 N ATOM 486 CA LYS A 31 7.182 11.585 -3.643 1.00 0.00 C ATOM 487 C LYS A 31 5.784 11.759 -3.056 1.00 0.00 C ATOM 488 O LYS A 31 4.865 11.004 -3.370 1.00 0.00 O ATOM 489 CB LYS A 31 7.482 12.772 -4.565 1.00 0.00 C ATOM 490 CG LYS A 31 7.703 14.092 -3.829 1.00 0.00 C ATOM 491 CD LYS A 31 8.749 13.998 -2.733 1.00 0.00 C ATOM 492 CE LYS A 31 8.971 15.243 -1.982 1.00 0.00 C ATOM 493 NZ LYS A 31 10.243 15.897 -2.379 1.00 0.00 N ATOM 0 H LYS A 31 6.488 10.111 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 31 7.923 11.567 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.369 12.544 -5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.655 12.893 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.006 14.854 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.759 14.421 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.452 13.217 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.694 13.686 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.140 15.927 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.990 15.027 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.665 16.367 -1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.903 15.180 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.054 16.603 -3.119 1.00 0.00 H new ATOM 507 N LEU A 32 5.633 12.818 -2.268 1.00 0.00 N ATOM 508 CA LEU A 32 4.353 13.129 -1.644 1.00 0.00 C ATOM 509 C LEU A 32 3.313 13.441 -2.723 1.00 0.00 C ATOM 510 O LEU A 32 2.149 13.057 -2.586 1.00 0.00 O ATOM 511 CB LEU A 32 4.575 14.267 -0.644 1.00 0.00 C ATOM 512 CG LEU A 32 3.676 14.338 0.572 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.258 14.684 0.128 1.00 0.00 C ATOM 514 CD2 LEU A 32 3.681 13.036 1.356 1.00 0.00 C ATOM 0 H LEU A 32 6.381 13.475 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 32 3.955 12.280 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.605 14.205 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.478 15.209 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 32 4.057 15.114 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.606 14.736 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.261 15.648 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.892 13.915 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.023 13.129 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.329 12.226 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.694 12.818 1.693 1.00 0.00 H new ATOM 526 N LYS A 33 3.822 13.799 -3.899 1.00 0.00 N ATOM 527 CA LYS A 33 2.989 13.967 -5.080 1.00 0.00 C ATOM 528 C LYS A 33 2.295 12.654 -5.432 1.00 0.00 C ATOM 529 O LYS A 33 1.104 12.641 -5.748 1.00 0.00 O ATOM 530 CB LYS A 33 3.797 14.443 -6.287 1.00 0.00 C ATOM 531 CG LYS A 33 2.941 14.826 -7.495 1.00 0.00 C ATOM 532 CD LYS A 33 2.482 16.272 -7.466 1.00 0.00 C ATOM 533 CE LYS A 33 2.477 16.946 -8.774 1.00 0.00 C ATOM 534 NZ LYS A 33 1.796 16.125 -9.807 1.00 0.00 N ATOM 0 H LYS A 33 4.814 13.979 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 33 2.247 14.729 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.398 15.303 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.491 13.655 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.511 14.651 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.068 14.175 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.475 16.310 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.128 16.830 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.976 17.910 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.502 17.147 -9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.523 16.730 -10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.442 15.381 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.946 15.688 -9.398 1.00 0.00 H new ATOM 548 N HIS A 34 2.957 11.551 -5.080 1.00 0.00 N ATOM 549 CA HIS A 34 2.464 10.230 -5.441 1.00 0.00 C ATOM 550 C HIS A 34 1.591 9.660 -4.326 1.00 0.00 C ATOM 551 O HIS A 34 0.596 8.987 -4.589 1.00 0.00 O ATOM 552 CB HIS A 34 3.574 9.206 -5.775 1.00 0.00 C ATOM 553 CG HIS A 34 4.716 9.800 -6.541 1.00 0.00 C ATOM 554 ND1 HIS A 34 5.846 9.107 -6.904 1.00 0.00 N ATOM 555 CD2 HIS A 34 4.861 11.042 -7.067 1.00 0.00 C ATOM 556 CE1 HIS A 34 6.688 9.931 -7.507 1.00 0.00 C ATOM 557 NE2 HIS A 34 6.130 11.121 -7.577 1.00 0.00 N ATOM 0 H HIS A 34 3.828 11.550 -4.550 1.00 0.00 H new ATOM 0 HA HIS A 34 1.885 10.383 -6.352 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.952 8.775 -4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.143 8.389 -6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.115 11.823 -7.081 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.668 9.671 -7.879 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.570 11.963 -7.949 1.00 0.00 H new ATOM 565 N ILE A 35 1.887 10.084 -3.100 1.00 0.00 N ATOM 566 CA ILE A 35 0.987 9.864 -1.976 1.00 0.00 C ATOM 567 C ILE A 35 -0.347 10.576 -2.236 1.00 0.00 C ATOM 568 O ILE A 35 -1.380 10.160 -1.710 1.00 0.00 O ATOM 569 CB ILE A 35 1.649 10.249 -0.617 1.00 0.00 C ATOM 570 CG1 ILE A 35 1.167 9.251 0.484 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.466 11.711 -0.169 1.00 0.00 C ATOM 572 CD1 ILE A 35 2.013 9.283 1.776 1.00 0.00 C ATOM 0 H ILE A 35 2.745 10.582 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 35 0.773 8.799 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 35 2.725 10.169 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.131 9.476 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.184 8.240 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.967 11.864 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.898 12.377 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.403 11.928 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.614 8.562 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.046 9.027 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.976 10.282 2.210 1.00 0.00 H new ATOM 584 N VAL A 36 -0.204 11.841 -2.643 1.00 0.00 N ATOM 585 CA VAL A 36 -1.348 12.733 -2.778 1.00 0.00 C ATOM 586 C VAL A 36 -2.307 12.177 -3.842 1.00 0.00 C ATOM 587 O VAL A 36 -3.469 11.905 -3.510 1.00 0.00 O ATOM 588 CB VAL A 36 -0.884 14.172 -3.064 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.042 15.122 -3.353 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.012 14.716 -1.941 1.00 0.00 C ATOM 0 H VAL A 36 0.692 12.265 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.901 12.780 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.281 14.116 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.653 16.122 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.592 14.771 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.710 15.154 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.296 15.734 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.577 14.717 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.871 14.087 -1.829 1.00 0.00 H new ATOM 600 N TRP A 37 -1.699 11.559 -4.852 1.00 0.00 N ATOM 601 CA TRP A 37 -2.408 10.699 -5.790 1.00 0.00 C ATOM 602 C TRP A 37 -3.082 9.544 -5.043 1.00 0.00 C ATOM 603 O TRP A 37 -4.153 9.086 -5.455 1.00 0.00 O ATOM 604 CB TRP A 37 -1.473 10.217 -6.897 1.00 0.00 C ATOM 605 CG TRP A 37 -2.052 9.193 -7.824 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.881 9.429 -8.889 1.00 0.00 C ATOM 607 CD2 TRP A 37 -2.153 7.783 -7.555 1.00 0.00 C ATOM 608 NE1 TRP A 37 -3.422 8.250 -9.346 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.994 7.228 -8.546 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.584 6.952 -6.596 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -3.293 5.874 -8.590 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -1.845 5.599 -6.666 1.00 0.00 C ATOM 613 CH2 TRP A 37 -2.680 5.065 -7.645 1.00 0.00 C ATOM 0 H TRP A 37 -0.700 11.642 -5.041 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.197 11.273 -6.277 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.159 11.079 -7.485 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.577 9.801 -6.437 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.081 10.403 -9.310 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.042 8.154 -10.151 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.954 7.355 -5.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.972 5.469 -9.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.391 4.937 -5.944 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.853 3.999 -7.669 1.00 0.00 H new ATOM 624 N ALA A 38 -2.246 8.824 -4.293 1.00 0.00 N ATOM 625 CA ALA A 38 -2.633 7.564 -3.679 1.00 0.00 C ATOM 626 C ALA A 38 -3.833 7.781 -2.745 1.00 0.00 C ATOM 627 O ALA A 38 -4.967 7.486 -3.111 1.00 0.00 O ATOM 628 CB ALA A 38 -1.454 7.017 -2.864 1.00 0.00 C ATOM 0 H ALA A 38 -1.284 9.102 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.909 6.855 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.739 6.072 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.600 6.856 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.184 7.734 -2.089 1.00 0.00 H new ATOM 634 N SER A 39 -3.589 8.620 -1.738 1.00 0.00 N ATOM 635 CA SER A 39 -4.624 9.000 -0.793 1.00 0.00 C ATOM 636 C SER A 39 -5.776 9.702 -1.512 1.00 0.00 C ATOM 637 O SER A 39 -6.920 9.644 -1.056 1.00 0.00 O ATOM 638 CB SER A 39 -4.073 9.866 0.332 1.00 0.00 C ATOM 639 OG SER A 39 -3.764 11.171 -0.123 1.00 0.00 O ATOM 0 H SER A 39 -2.680 9.047 -1.561 1.00 0.00 H new ATOM 0 HA SER A 39 -5.007 8.087 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.803 9.924 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.177 9.402 0.745 1.00 0.00 H new ATOM 0 HG SER A 39 -2.982 11.135 -0.713 1.00 0.00 H new ATOM 645 N ARG A 40 -5.502 10.144 -2.737 1.00 0.00 N ATOM 646 CA ARG A 40 -6.556 10.488 -3.685 1.00 0.00 C ATOM 647 C ARG A 40 -7.342 9.231 -4.067 1.00 0.00 C ATOM 648 O ARG A 40 -8.559 9.181 -3.892 1.00 0.00 O ATOM 649 CB ARG A 40 -6.009 11.153 -4.950 1.00 0.00 C ATOM 650 CG ARG A 40 -6.396 12.615 -5.122 1.00 0.00 C ATOM 651 CD ARG A 40 -5.685 13.493 -4.149 1.00 0.00 C ATOM 652 NE ARG A 40 -6.223 14.846 -4.137 1.00 0.00 N ATOM 653 CZ ARG A 40 -7.508 15.120 -3.902 1.00 0.00 C ATOM 654 NH1 ARG A 40 -8.352 14.186 -3.477 1.00 0.00 N ATOM 655 NH2 ARG A 40 -7.944 16.370 -4.057 1.00 0.00 N ATOM 0 H ARG A 40 -4.556 10.272 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.211 11.207 -3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.922 11.078 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.360 10.594 -5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.164 12.935 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.473 12.724 -4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.763 13.064 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.625 13.527 -4.400 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.587 15.623 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.023 13.233 -3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.329 14.422 -3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.298 17.103 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.923 16.594 -3.881 1.00 0.00 H new ATOM 669 N GLU A 41 -6.684 8.378 -4.848 1.00 0.00 N ATOM 670 CA GLU A 41 -7.343 7.262 -5.506 1.00 0.00 C ATOM 671 C GLU A 41 -7.967 6.327 -4.473 1.00 0.00 C ATOM 672 O GLU A 41 -9.097 5.861 -4.659 1.00 0.00 O ATOM 673 CB GLU A 41 -6.285 6.532 -6.346 1.00 0.00 C ATOM 674 CG GLU A 41 -6.514 5.988 -7.635 1.00 0.00 C ATOM 675 CD GLU A 41 -6.450 6.932 -8.799 1.00 0.00 C ATOM 676 OE1 GLU A 41 -5.952 8.043 -8.753 1.00 0.00 O ATOM 677 OE2 GLU A 41 -6.934 6.433 -9.839 1.00 0.00 O ATOM 0 H GLU A 41 -5.684 8.443 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.151 7.614 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.455 7.229 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.928 5.707 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.784 5.196 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.498 5.519 -7.634 1.00 0.00 H new ATOM 684 N LEU A 42 -7.339 6.282 -3.299 1.00 0.00 N ATOM 685 CA LEU A 42 -7.912 5.590 -2.156 1.00 0.00 C ATOM 686 C LEU A 42 -9.235 6.254 -1.751 1.00 0.00 C ATOM 687 O LEU A 42 -10.269 5.588 -1.674 1.00 0.00 O ATOM 688 CB LEU A 42 -6.880 5.637 -1.003 1.00 0.00 C ATOM 689 CG LEU A 42 -7.365 5.013 0.300 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.602 3.737 0.598 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.213 6.008 1.437 1.00 0.00 C ATOM 0 H LEU A 42 -6.434 6.717 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.132 4.551 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.973 5.124 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.609 6.676 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.420 4.758 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.963 3.307 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.754 3.024 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.539 3.961 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.562 5.556 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.164 6.285 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.804 6.898 1.223 1.00 0.00 H new ATOM 703 N GLU A 43 -9.092 7.439 -1.161 1.00 0.00 N ATOM 704 CA GLU A 43 -10.187 8.103 -0.467 1.00 0.00 C ATOM 705 C GLU A 43 -11.354 8.336 -1.434 1.00 0.00 C ATOM 706 O GLU A 43 -12.507 8.056 -1.077 1.00 0.00 O ATOM 707 CB GLU A 43 -9.643 9.445 0.053 1.00 0.00 C ATOM 708 CG GLU A 43 -10.452 10.480 0.588 1.00 0.00 C ATOM 709 CD GLU A 43 -11.319 11.240 -0.371 1.00 0.00 C ATOM 710 OE1 GLU A 43 -10.978 11.559 -1.497 1.00 0.00 O ATOM 711 OE2 GLU A 43 -12.461 11.451 0.092 1.00 0.00 O ATOM 0 H GLU A 43 -8.216 7.962 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.556 7.494 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.916 9.198 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.090 9.889 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.096 10.044 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.799 11.193 1.090 1.00 0.00 H new ATOM 718 N ARG A 44 -11.000 8.302 -2.726 1.00 0.00 N ATOM 719 CA ARG A 44 -11.979 8.514 -3.780 1.00 0.00 C ATOM 720 C ARG A 44 -12.426 7.190 -4.389 1.00 0.00 C ATOM 721 O ARG A 44 -13.478 7.118 -5.029 1.00 0.00 O ATOM 722 CB ARG A 44 -11.436 9.434 -4.884 1.00 0.00 C ATOM 723 CG ARG A 44 -12.413 10.501 -5.354 1.00 0.00 C ATOM 724 CD ARG A 44 -12.237 10.811 -6.802 1.00 0.00 C ATOM 725 NE ARG A 44 -13.306 10.252 -7.617 1.00 0.00 N ATOM 726 CZ ARG A 44 -13.172 9.132 -8.332 1.00 0.00 C ATOM 727 NH1 ARG A 44 -12.113 8.341 -8.192 1.00 0.00 N ATOM 728 NH2 ARG A 44 -14.148 8.772 -9.165 1.00 0.00 N ATOM 0 H ARG A 44 -10.050 8.131 -3.056 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.838 9.001 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.532 9.922 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.146 8.823 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.434 10.163 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.270 11.409 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.205 11.892 -6.939 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.279 10.418 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.201 10.740 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.379 8.584 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.034 7.491 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.984 9.350 -9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.059 7.919 -9.717 1.00 0.00 H new ATOM 742 N PHE A 45 -11.704 6.124 -4.063 1.00 0.00 N ATOM 743 CA PHE A 45 -12.225 4.765 -4.214 1.00 0.00 C ATOM 744 C PHE A 45 -13.461 4.582 -3.338 1.00 0.00 C ATOM 745 O PHE A 45 -14.566 4.379 -3.831 1.00 0.00 O ATOM 746 CB PHE A 45 -11.192 3.668 -3.849 1.00 0.00 C ATOM 747 CG PHE A 45 -10.658 2.962 -5.065 1.00 0.00 C ATOM 748 CD1 PHE A 45 -10.195 3.638 -6.195 1.00 0.00 C ATOM 749 CD2 PHE A 45 -10.827 1.576 -5.120 1.00 0.00 C ATOM 750 CE1 PHE A 45 -9.794 2.930 -7.332 1.00 0.00 C ATOM 751 CE2 PHE A 45 -10.518 0.863 -6.269 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.954 1.533 -7.357 1.00 0.00 C ATOM 0 H PHE A 45 -10.755 6.172 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.471 4.648 -5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.365 4.119 -3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.657 2.941 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.146 4.717 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.204 1.052 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -9.368 3.448 -8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.711 -0.198 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.638 0.973 -8.225 1.00 0.00 H new ATOM 762 N ALA A 46 -13.255 4.708 -2.026 1.00 0.00 N ATOM 763 CA ALA A 46 -14.257 4.246 -1.065 1.00 0.00 C ATOM 764 C ALA A 46 -13.850 4.642 0.354 1.00 0.00 C ATOM 765 O ALA A 46 -14.281 4.015 1.324 1.00 0.00 O ATOM 766 CB ALA A 46 -14.411 2.732 -1.178 1.00 0.00 C ATOM 0 H ALA A 46 -12.419 5.118 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.215 4.716 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.157 2.388 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.730 2.473 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.456 2.252 -0.965 1.00 0.00 H new ATOM 772 N VAL A 47 -12.850 5.514 0.446 1.00 0.00 N ATOM 773 CA VAL A 47 -12.026 5.620 1.648 1.00 0.00 C ATOM 774 C VAL A 47 -12.039 7.046 2.178 1.00 0.00 C ATOM 775 O VAL A 47 -12.523 7.966 1.520 1.00 0.00 O ATOM 776 CB VAL A 47 -10.613 5.069 1.374 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.793 4.908 2.648 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.659 3.767 0.590 1.00 0.00 C ATOM 0 H VAL A 47 -12.590 6.160 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.445 5.002 2.442 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.109 5.815 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.807 4.517 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.687 5.876 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.298 4.215 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.644 3.411 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.214 3.020 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.152 3.936 -0.367 1.00 0.00 H new ATOM 788 N ASN A 48 -11.471 7.221 3.367 1.00 0.00 N ATOM 789 CA ASN A 48 -11.294 8.534 3.958 1.00 0.00 C ATOM 790 C ASN A 48 -9.786 8.800 4.186 1.00 0.00 C ATOM 791 O ASN A 48 -8.988 7.854 4.316 1.00 0.00 O ATOM 792 CB ASN A 48 -12.141 8.728 5.206 1.00 0.00 C ATOM 793 CG ASN A 48 -11.897 10.050 5.910 1.00 0.00 C ATOM 794 OD1 ASN A 48 -10.764 10.352 6.315 1.00 0.00 O ATOM 795 ND2 ASN A 48 -12.971 10.805 6.137 1.00 0.00 N ATOM 0 H ASN A 48 -11.122 6.455 3.944 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.661 9.287 3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.194 8.661 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.939 7.913 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.882 11.673 6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.883 10.515 5.783 1.00 0.00 H new ATOM 802 N PRO A 49 -9.381 10.041 3.838 1.00 0.00 N ATOM 803 CA PRO A 49 -7.951 10.417 3.698 1.00 0.00 C ATOM 804 C PRO A 49 -7.179 10.383 5.012 1.00 0.00 C ATOM 805 O PRO A 49 -6.208 9.646 5.164 1.00 0.00 O ATOM 806 CB PRO A 49 -7.937 11.789 3.034 1.00 0.00 C ATOM 807 CG PRO A 49 -9.316 12.375 3.132 1.00 0.00 C ATOM 808 CD PRO A 49 -10.225 11.246 3.593 1.00 0.00 C ATOM 0 HA PRO A 49 -7.426 9.683 3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.212 12.440 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.635 11.703 1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.337 13.205 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.641 12.768 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.754 11.531 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.981 11.034 2.837 1.00 0.00 H new ATOM 816 N GLY A 50 -7.750 11.078 5.996 1.00 0.00 N ATOM 817 CA GLY A 50 -7.187 11.067 7.350 1.00 0.00 C ATOM 818 C GLY A 50 -7.369 9.682 7.959 1.00 0.00 C ATOM 819 O GLY A 50 -6.463 9.144 8.609 1.00 0.00 O ATOM 0 H GLY A 50 -8.589 11.648 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.129 11.327 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.681 11.817 7.968 1.00 0.00 H new ATOM 823 N LEU A 51 -8.399 8.996 7.470 1.00 0.00 N ATOM 824 CA LEU A 51 -8.609 7.581 7.776 1.00 0.00 C ATOM 825 C LEU A 51 -7.398 6.767 7.297 1.00 0.00 C ATOM 826 O LEU A 51 -6.724 6.166 8.172 1.00 0.00 O ATOM 827 CB LEU A 51 -9.937 7.182 7.119 1.00 0.00 C ATOM 828 CG LEU A 51 -10.805 6.166 7.825 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.002 5.768 6.969 1.00 0.00 C ATOM 830 CD2 LEU A 51 -9.972 4.934 8.158 1.00 0.00 C ATOM 0 H LEU A 51 -9.106 9.399 6.856 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.684 7.381 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.527 8.088 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.714 6.796 6.124 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.185 6.616 8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.606 5.036 7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.606 6.650 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.651 5.333 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.596 4.200 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.579 4.501 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.144 5.219 8.807 1.00 0.00 H new ATOM 842 N LEU A 52 -6.737 7.360 6.276 1.00 0.00 N ATOM 843 CA LEU A 52 -5.584 6.684 5.680 1.00 0.00 C ATOM 844 C LEU A 52 -4.279 7.313 6.146 1.00 0.00 C ATOM 845 O LEU A 52 -3.269 6.579 6.239 1.00 0.00 O ATOM 846 CB LEU A 52 -5.813 6.608 4.175 1.00 0.00 C ATOM 847 CG LEU A 52 -4.737 7.033 3.205 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.459 8.527 3.291 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.464 6.239 3.470 1.00 0.00 C ATOM 0 H LEU A 52 -6.975 8.265 5.869 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.483 5.654 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.064 5.573 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.697 7.207 3.955 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.090 6.826 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.679 8.794 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.369 9.080 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.130 8.778 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.690 6.548 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.125 6.424 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.665 5.175 3.343 1.00 0.00 H new ATOM 861 N GLU A 53 -4.394 8.420 6.882 1.00 0.00 N ATOM 862 CA GLU A 53 -3.341 8.892 7.773 1.00 0.00 C ATOM 863 C GLU A 53 -3.009 7.799 8.803 1.00 0.00 C ATOM 864 O GLU A 53 -1.858 7.608 9.167 1.00 0.00 O ATOM 865 CB GLU A 53 -3.854 10.139 8.504 1.00 0.00 C ATOM 866 CG GLU A 53 -3.029 11.120 9.117 1.00 0.00 C ATOM 867 CD GLU A 53 -1.848 10.626 9.903 1.00 0.00 C ATOM 868 OE1 GLU A 53 -2.168 9.708 10.695 1.00 0.00 O ATOM 869 OE2 GLU A 53 -0.809 11.263 10.026 1.00 0.00 O ATOM 0 H GLU A 53 -5.223 9.014 6.874 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.443 9.128 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.473 10.675 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.519 9.775 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.662 11.788 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.652 11.718 9.782 1.00 0.00 H new ATOM 876 N THR A 54 -4.073 7.175 9.299 1.00 0.00 N ATOM 877 CA THR A 54 -3.948 6.352 10.514 1.00 0.00 C ATOM 878 C THR A 54 -3.817 4.890 10.149 1.00 0.00 C ATOM 879 O THR A 54 -4.538 4.371 9.293 1.00 0.00 O ATOM 880 CB THR A 54 -5.169 6.631 11.485 1.00 0.00 C ATOM 881 OG1 THR A 54 -6.297 5.855 10.993 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.490 8.125 11.615 1.00 0.00 C ATOM 0 H THR A 54 -5.010 7.215 8.898 1.00 0.00 H new ATOM 0 HA THR A 54 -3.039 6.626 11.050 1.00 0.00 H new ATOM 0 HB THR A 54 -4.918 6.321 12.499 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.397 5.999 10.029 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.334 8.258 12.292 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.621 8.651 12.011 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.743 8.529 10.635 1.00 0.00 H new ATOM 890 N SER A 55 -2.893 4.200 10.816 1.00 0.00 N ATOM 891 CA SER A 55 -2.642 2.794 10.596 1.00 0.00 C ATOM 892 C SER A 55 -3.921 1.967 10.756 1.00 0.00 C ATOM 893 O SER A 55 -4.194 1.131 9.876 1.00 0.00 O ATOM 894 CB SER A 55 -1.544 2.265 11.517 1.00 0.00 C ATOM 895 OG SER A 55 -0.486 3.196 11.644 1.00 0.00 O ATOM 0 H SER A 55 -2.296 4.615 11.531 1.00 0.00 H new ATOM 0 HA SER A 55 -2.295 2.690 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.963 2.051 12.500 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.158 1.325 11.124 1.00 0.00 H new ATOM 0 HG SER A 55 0.201 2.831 12.240 1.00 0.00 H new ATOM 901 N GLU A 56 -4.880 2.559 11.473 1.00 0.00 N ATOM 902 CA GLU A 56 -6.176 1.921 11.654 1.00 0.00 C ATOM 903 C GLU A 56 -6.932 1.880 10.324 1.00 0.00 C ATOM 904 O GLU A 56 -7.116 0.789 9.761 1.00 0.00 O ATOM 905 CB GLU A 56 -6.945 2.699 12.717 1.00 0.00 C ATOM 906 CG GLU A 56 -7.866 2.131 13.638 1.00 0.00 C ATOM 907 CD GLU A 56 -7.344 1.788 15.001 1.00 0.00 C ATOM 908 OE1 GLU A 56 -7.350 2.554 15.949 1.00 0.00 O ATOM 909 OE2 GLU A 56 -6.991 0.591 15.085 1.00 0.00 O ATOM 0 H GLU A 56 -4.782 3.466 11.930 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.055 0.890 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.192 3.205 13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.496 3.472 12.182 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.696 2.827 13.759 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.273 1.223 13.193 1.00 0.00 H new ATOM 916 N GLY A 57 -6.921 3.028 9.645 1.00 0.00 N ATOM 917 CA GLY A 57 -7.573 3.144 8.348 1.00 0.00 C ATOM 918 C GLY A 57 -6.750 2.447 7.271 1.00 0.00 C ATOM 919 O GLY A 57 -7.283 1.723 6.434 1.00 0.00 O ATOM 0 H GLY A 57 -6.470 3.883 9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.569 2.703 8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.701 4.196 8.092 1.00 0.00 H new ATOM 923 N CYS A 58 -5.448 2.716 7.288 1.00 0.00 N ATOM 924 CA CYS A 58 -4.533 2.162 6.305 1.00 0.00 C ATOM 925 C CYS A 58 -4.542 0.628 6.384 1.00 0.00 C ATOM 926 O CYS A 58 -4.599 -0.032 5.344 1.00 0.00 O ATOM 927 CB CYS A 58 -3.122 2.713 6.479 1.00 0.00 C ATOM 928 SG CYS A 58 -2.180 2.858 4.941 1.00 0.00 S ATOM 0 H CYS A 58 -5.003 3.320 7.979 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.874 2.463 5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.184 3.696 6.947 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.575 2.067 7.166 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.088 3.527 5.163 1.00 0.00 H new ATOM 933 N ARG A 59 -4.996 0.158 7.553 1.00 0.00 N ATOM 934 CA ARG A 59 -5.256 -1.257 7.760 1.00 0.00 C ATOM 935 C ARG A 59 -6.608 -1.640 7.146 1.00 0.00 C ATOM 936 O ARG A 59 -6.810 -2.799 6.781 1.00 0.00 O ATOM 937 CB ARG A 59 -5.257 -1.642 9.242 1.00 0.00 C ATOM 938 CG ARG A 59 -4.956 -3.110 9.516 1.00 0.00 C ATOM 939 CD ARG A 59 -4.388 -3.308 10.881 1.00 0.00 C ATOM 940 NE ARG A 59 -3.272 -4.244 10.880 1.00 0.00 N ATOM 941 CZ ARG A 59 -3.362 -5.489 10.411 1.00 0.00 C ATOM 942 NH1 ARG A 59 -4.533 -6.027 10.087 1.00 0.00 N ATOM 943 NH2 ARG A 59 -2.257 -6.228 10.310 1.00 0.00 N ATOM 0 H ARG A 59 -5.188 0.744 8.365 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.447 -1.800 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.521 -1.030 9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.231 -1.399 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.870 -3.695 9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.253 -3.483 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.055 -2.349 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.168 -3.675 11.548 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.377 -3.932 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.390 -5.485 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.574 -6.982 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.356 -5.840 10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.312 -7.182 9.953 1.00 0.00 H new ATOM 957 N GLN A 60 -7.605 -0.808 7.481 1.00 0.00 N ATOM 958 CA GLN A 60 -8.973 -1.063 7.044 1.00 0.00 C ATOM 959 C GLN A 60 -9.032 -1.018 5.505 1.00 0.00 C ATOM 960 O GLN A 60 -9.581 -1.965 4.913 1.00 0.00 O ATOM 961 CB GLN A 60 -9.986 -0.098 7.651 1.00 0.00 C ATOM 962 CG GLN A 60 -11.319 -0.738 7.989 1.00 0.00 C ATOM 963 CD GLN A 60 -11.803 -0.396 9.378 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.897 0.124 9.576 1.00 0.00 O ATOM 965 NE2 GLN A 60 -10.934 -0.643 10.356 1.00 0.00 N ATOM 0 H GLN A 60 -7.487 0.034 8.045 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.252 -2.054 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.562 0.336 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.155 0.722 6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.065 -0.417 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.229 -1.820 7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.036 -1.077 10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.166 -0.398 11.319 1.00 0.00 H new ATOM 974 N ILE A 61 -8.006 -0.356 4.954 1.00 0.00 N ATOM 975 CA ILE A 61 -7.762 -0.386 3.522 1.00 0.00 C ATOM 976 C ILE A 61 -6.962 -1.617 3.131 1.00 0.00 C ATOM 977 O ILE A 61 -7.511 -2.561 2.556 1.00 0.00 O ATOM 978 CB ILE A 61 -7.131 0.954 3.016 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.044 2.156 3.348 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.749 0.893 1.516 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.559 1.957 3.133 1.00 0.00 C ATOM 0 H ILE A 61 -7.338 0.203 5.484 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.722 -0.470 3.012 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.195 1.102 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.881 2.429 4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.723 3.004 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.315 1.846 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.022 0.096 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.641 0.694 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.088 2.872 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.750 1.721 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.911 1.137 3.759 1.00 0.00 H new ATOM 993 N LEU A 62 -5.740 -1.714 3.649 1.00 0.00 N ATOM 994 CA LEU A 62 -4.783 -2.697 3.165 1.00 0.00 C ATOM 995 C LEU A 62 -5.338 -4.118 3.369 1.00 0.00 C ATOM 996 O LEU A 62 -5.187 -4.956 2.472 1.00 0.00 O ATOM 997 CB LEU A 62 -3.450 -2.475 3.897 1.00 0.00 C ATOM 998 CG LEU A 62 -2.182 -2.881 3.175 1.00 0.00 C ATOM 999 CD1 LEU A 62 -2.054 -2.201 1.822 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.981 -2.524 4.050 1.00 0.00 C ATOM 0 H LEU A 62 -5.392 -1.123 4.404 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.611 -2.580 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.373 -1.416 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.489 -3.019 4.841 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.219 -3.955 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.130 -2.521 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.904 -2.474 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.036 -1.120 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.061 -2.812 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.972 -1.450 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.052 -3.055 4.999 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.356 -4.179 4.230 1.00 0.00 N ATOM 1013 CA GLY A 63 -7.133 -5.391 4.419 1.00 0.00 C ATOM 1014 C GLY A 63 -8.160 -5.558 3.308 1.00 0.00 C ATOM 1015 O GLY A 63 -8.176 -6.563 2.601 1.00 0.00 O ATOM 0 H GLY A 63 -6.658 -3.394 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.468 -6.255 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.638 -5.357 5.384 1.00 0.00 H new ATOM 1019 N GLN A 64 -9.034 -4.566 3.184 1.00 0.00 N ATOM 1020 CA GLN A 64 -10.081 -4.572 2.179 1.00 0.00 C ATOM 1021 C GLN A 64 -9.489 -4.603 0.770 1.00 0.00 C ATOM 1022 O GLN A 64 -10.231 -4.717 -0.212 1.00 0.00 O ATOM 1023 CB GLN A 64 -11.047 -3.389 2.330 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.504 -3.768 2.163 1.00 0.00 C ATOM 1025 CD GLN A 64 -13.428 -2.987 3.065 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -14.399 -3.506 3.609 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.115 -1.703 3.219 1.00 0.00 N ATOM 0 H GLN A 64 -9.034 -3.737 3.779 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.659 -5.482 2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.908 -2.941 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.792 -2.627 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.798 -3.608 1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.622 -4.832 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.298 -1.317 2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.692 -1.105 3.810 1.00 0.00 H new ATOM 1036 N LEU A 65 -8.209 -4.267 0.664 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.645 -3.741 -0.582 1.00 0.00 C ATOM 1038 C LEU A 65 -6.834 -4.826 -1.283 1.00 0.00 C ATOM 1039 O LEU A 65 -7.078 -5.122 -2.456 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.833 -2.487 -0.232 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.445 -1.568 -1.381 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.652 -0.794 -1.889 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.369 -0.608 -0.884 1.00 0.00 C ATOM 0 H LEU A 65 -7.537 -4.348 1.427 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.420 -3.451 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.406 -1.904 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.919 -2.805 0.270 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.064 -2.162 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.348 -0.144 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.411 -1.493 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.063 -0.189 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.076 0.061 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.760 -0.022 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.501 -1.176 -0.550 1.00 0.00 H new ATOM 1055 N GLN A 66 -6.184 -5.659 -0.464 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.349 -6.732 -0.973 1.00 0.00 C ATOM 1057 C GLN A 66 -6.212 -7.706 -1.822 1.00 0.00 C ATOM 1058 O GLN A 66 -6.104 -7.699 -3.065 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.619 -7.506 0.121 1.00 0.00 C ATOM 1060 CG GLN A 66 -3.108 -7.404 0.046 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.423 -8.748 0.076 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.374 -8.956 -0.528 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -2.975 -9.646 0.889 1.00 0.00 N ATOM 0 H GLN A 66 -6.225 -5.604 0.554 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.579 -6.266 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.950 -7.140 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.905 -8.556 0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.830 -6.881 -0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.748 -6.801 0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.848 -9.430 1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.525 -10.550 1.031 1.00 0.00 H new ATOM 1072 N PRO A 67 -7.317 -8.163 -1.197 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.461 -8.770 -1.929 1.00 0.00 C ATOM 1074 C PRO A 67 -8.947 -7.923 -3.101 1.00 0.00 C ATOM 1075 O PRO A 67 -8.981 -8.371 -4.247 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.545 -9.037 -0.896 1.00 0.00 C ATOM 1077 CG PRO A 67 -9.138 -8.404 0.404 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.666 -8.052 0.250 1.00 0.00 C ATOM 0 HA PRO A 67 -8.151 -9.700 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.497 -8.628 -1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.687 -10.110 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.733 -7.514 0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.291 -9.089 1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.475 -7.042 0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.048 -8.725 0.844 1.00 0.00 H new ATOM 1086 N SER A 68 -9.231 -6.657 -2.803 1.00 0.00 N ATOM 1087 CA SER A 68 -9.935 -5.793 -3.732 1.00 0.00 C ATOM 1088 C SER A 68 -9.037 -5.358 -4.881 1.00 0.00 C ATOM 1089 O SER A 68 -9.521 -4.810 -5.875 1.00 0.00 O ATOM 1090 CB SER A 68 -10.546 -4.587 -3.023 1.00 0.00 C ATOM 1091 OG SER A 68 -11.727 -4.942 -2.326 1.00 0.00 O ATOM 0 H SER A 68 -8.981 -6.211 -1.921 1.00 0.00 H new ATOM 0 HA SER A 68 -10.753 -6.375 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.822 -4.168 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.772 -3.810 -3.753 1.00 0.00 H new ATOM 0 HG SER A 68 -11.543 -4.969 -1.364 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.797 -5.836 -4.850 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.843 -5.563 -5.914 1.00 0.00 C ATOM 1099 C LEU A 69 -7.139 -6.447 -7.128 1.00 0.00 C ATOM 1100 O LEU A 69 -7.369 -5.910 -8.222 1.00 0.00 O ATOM 1101 CB LEU A 69 -5.428 -5.741 -5.344 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.995 -4.736 -4.287 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.638 -5.089 -3.704 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.952 -3.353 -4.930 1.00 0.00 C ATOM 0 H LEU A 69 -7.430 -6.416 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.927 -4.538 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.355 -6.741 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.718 -5.696 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.710 -4.751 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.361 -4.349 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.686 -6.075 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.891 -5.096 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.643 -2.616 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.240 -3.357 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.942 -3.096 -5.307 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.580 -7.668 -6.829 1.00 0.00 N ATOM 1117 CA GLN A 70 -8.084 -8.574 -7.851 1.00 0.00 C ATOM 1118 C GLN A 70 -9.322 -7.985 -8.518 1.00 0.00 C ATOM 1119 O GLN A 70 -9.748 -8.441 -9.576 1.00 0.00 O ATOM 1120 CB GLN A 70 -8.336 -9.987 -7.336 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.549 -10.127 -6.439 1.00 0.00 C ATOM 1122 CD GLN A 70 -9.288 -10.977 -5.219 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -9.899 -10.802 -4.165 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -8.502 -12.032 -5.424 1.00 0.00 N ATOM 0 H GLN A 70 -7.597 -8.050 -5.883 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.299 -8.676 -8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.453 -10.655 -8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.455 -10.322 -6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.875 -9.137 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.368 -10.564 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.013 -12.139 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.389 -12.733 -4.692 1.00 0.00 H new ATOM 1133 N THR A 71 -9.911 -6.994 -7.856 1.00 0.00 N ATOM 1134 CA THR A 71 -11.224 -6.491 -8.241 1.00 0.00 C ATOM 1135 C THR A 71 -11.126 -5.050 -8.730 1.00 0.00 C ATOM 1136 O THR A 71 -12.101 -4.493 -9.240 1.00 0.00 O ATOM 1137 CB THR A 71 -12.270 -6.626 -7.060 1.00 0.00 C ATOM 1138 OG1 THR A 71 -12.003 -5.544 -6.123 1.00 0.00 O ATOM 1139 CG2 THR A 71 -12.266 -8.000 -6.388 1.00 0.00 C ATOM 0 H THR A 71 -9.499 -6.524 -7.050 1.00 0.00 H new ATOM 0 HA THR A 71 -11.588 -7.106 -9.064 1.00 0.00 H new ATOM 0 HB THR A 71 -13.280 -6.543 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.066 -5.266 -6.202 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.008 -8.017 -5.589 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.509 -8.766 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.279 -8.198 -5.970 1.00 0.00 H new ATOM 1147 N GLY A 72 -10.021 -4.402 -8.390 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.919 -2.948 -8.455 1.00 0.00 C ATOM 1149 C GLY A 72 -9.187 -2.535 -9.731 1.00 0.00 C ATOM 1150 O GLY A 72 -9.759 -1.881 -10.601 1.00 0.00 O ATOM 0 H GLY A 72 -9.173 -4.865 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.914 -2.504 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.386 -2.573 -7.582 1.00 0.00 H new ATOM 1154 N SER A 73 -7.858 -2.641 -9.665 1.00 0.00 N ATOM 1155 CA SER A 73 -7.005 -2.273 -10.784 1.00 0.00 C ATOM 1156 C SER A 73 -5.534 -2.519 -10.426 1.00 0.00 C ATOM 1157 O SER A 73 -5.136 -2.289 -9.280 1.00 0.00 O ATOM 1158 CB SER A 73 -7.222 -0.829 -11.213 1.00 0.00 C ATOM 1159 OG SER A 73 -7.207 0.050 -10.102 1.00 0.00 O ATOM 0 H SER A 73 -7.354 -2.980 -8.845 1.00 0.00 H new ATOM 0 HA SER A 73 -7.275 -2.903 -11.632 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.445 -0.537 -11.920 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.175 -0.742 -11.734 1.00 0.00 H new ATOM 0 HG SER A 73 -7.769 0.829 -10.294 1.00 0.00 H new ATOM 1165 N GLU A 74 -4.714 -2.630 -11.466 1.00 0.00 N ATOM 1166 CA GLU A 74 -3.269 -2.493 -11.335 1.00 0.00 C ATOM 1167 C GLU A 74 -2.918 -1.104 -10.800 1.00 0.00 C ATOM 1168 O GLU A 74 -1.967 -0.961 -10.027 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.657 -2.719 -12.724 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.490 -3.990 -13.334 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.416 -4.113 -14.374 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -0.245 -3.835 -14.186 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.842 -4.626 -15.432 1.00 0.00 O ATOM 0 H GLU A 74 -5.030 -2.816 -12.418 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.872 -3.223 -10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.256 -2.128 -13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.666 -2.267 -12.694 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.285 -4.718 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.438 -4.273 -13.792 1.00 0.00 H new ATOM 1180 N GLU A 75 -3.915 -0.216 -10.874 1.00 0.00 N ATOM 1181 CA GLU A 75 -3.758 1.142 -10.383 1.00 0.00 C ATOM 1182 C GLU A 75 -4.338 1.284 -8.977 1.00 0.00 C ATOM 1183 O GLU A 75 -3.944 2.188 -8.234 1.00 0.00 O ATOM 1184 CB GLU A 75 -4.441 2.087 -11.374 1.00 0.00 C ATOM 1185 CG GLU A 75 -5.836 2.325 -11.452 1.00 0.00 C ATOM 1186 CD GLU A 75 -6.502 2.925 -10.250 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -5.874 3.915 -9.810 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -7.610 2.605 -9.852 1.00 0.00 O ATOM 0 H GLU A 75 -4.833 -0.420 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.701 1.396 -10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.981 3.063 -11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.141 1.746 -12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.018 2.983 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.328 1.377 -11.671 1.00 0.00 H new ATOM 1195 N LEU A 76 -5.060 0.254 -8.540 1.00 0.00 N ATOM 1196 CA LEU A 76 -5.254 0.002 -7.116 1.00 0.00 C ATOM 1197 C LEU A 76 -3.962 -0.564 -6.509 1.00 0.00 C ATOM 1198 O LEU A 76 -3.921 -0.775 -5.287 1.00 0.00 O ATOM 1199 CB LEU A 76 -6.462 -0.914 -6.931 1.00 0.00 C ATOM 1200 CG LEU A 76 -7.542 -0.553 -5.938 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -8.367 -1.785 -5.557 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.949 0.058 -4.675 1.00 0.00 C ATOM 0 H LEU A 76 -5.520 -0.419 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.467 0.928 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.940 -1.020 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.083 -1.898 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.188 0.181 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.138 -1.500 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.836 -2.199 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.715 -2.535 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.751 0.307 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.273 -0.658 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.398 0.963 -4.932 1.00 0.00 H new ATOM 1214 N ARG A 77 -3.203 -1.239 -7.370 1.00 0.00 N ATOM 1215 CA ARG A 77 -2.008 -1.947 -6.939 1.00 0.00 C ATOM 1216 C ARG A 77 -0.883 -0.954 -6.641 1.00 0.00 C ATOM 1217 O ARG A 77 -0.220 -1.055 -5.608 1.00 0.00 O ATOM 1218 CB ARG A 77 -1.534 -2.963 -7.985 1.00 0.00 C ATOM 1219 CG ARG A 77 -1.126 -4.315 -7.417 1.00 0.00 C ATOM 1220 CD ARG A 77 0.303 -4.323 -6.989 1.00 0.00 C ATOM 1221 NE ARG A 77 1.116 -5.210 -7.809 1.00 0.00 N ATOM 1222 CZ ARG A 77 2.203 -5.837 -7.352 1.00 0.00 C ATOM 1223 NH1 ARG A 77 2.507 -5.847 -6.058 1.00 0.00 N ATOM 1224 NH2 ARG A 77 2.970 -6.514 -8.207 1.00 0.00 N ATOM 0 H ARG A 77 -3.397 -1.308 -8.369 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.266 -2.494 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.332 -3.115 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.687 -2.540 -8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.762 -4.560 -6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.286 -5.089 -8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.703 -3.311 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.367 -4.634 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 77 0.842 -5.360 -8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.904 -5.368 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.343 -6.333 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.724 -6.548 -9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.803 -6.998 -7.872 1.00 0.00 H new ATOM 1238 N SER A 78 -0.866 0.129 -7.412 1.00 0.00 N ATOM 1239 CA SER A 78 -0.112 1.324 -7.055 1.00 0.00 C ATOM 1240 C SER A 78 -0.727 1.990 -5.827 1.00 0.00 C ATOM 1241 O SER A 78 -0.024 2.408 -4.910 1.00 0.00 O ATOM 1242 CB SER A 78 -0.025 2.298 -8.223 1.00 0.00 C ATOM 1243 OG SER A 78 1.315 2.669 -8.490 1.00 0.00 O ATOM 0 H SER A 78 -1.371 0.202 -8.295 1.00 0.00 H new ATOM 0 HA SER A 78 0.906 1.022 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.461 1.842 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.613 3.188 -8.000 1.00 0.00 H new ATOM 0 HG SER A 78 1.337 3.293 -9.245 1.00 0.00 H new ATOM 1249 N LEU A 79 -2.054 1.958 -5.775 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.793 2.378 -4.594 1.00 0.00 C ATOM 1251 C LEU A 79 -2.418 1.510 -3.396 1.00 0.00 C ATOM 1252 O LEU A 79 -2.104 2.033 -2.320 1.00 0.00 O ATOM 1253 CB LEU A 79 -4.289 2.351 -4.941 1.00 0.00 C ATOM 1254 CG LEU A 79 -5.226 3.236 -4.149 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -4.650 4.629 -3.933 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -6.555 3.338 -4.898 1.00 0.00 C ATOM 0 H LEU A 79 -2.643 1.642 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.537 3.396 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.391 2.617 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.636 1.323 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.371 2.789 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.356 5.230 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.710 4.553 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.471 5.102 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.241 3.974 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.385 3.769 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.989 2.344 -5.007 1.00 0.00 H new ATOM 1268 N TYR A 80 -2.076 0.257 -3.696 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.811 -0.723 -2.648 1.00 0.00 C ATOM 1270 C TYR A 80 -0.385 -0.547 -2.123 1.00 0.00 C ATOM 1271 O TYR A 80 -0.158 -0.580 -0.914 1.00 0.00 O ATOM 1272 CB TYR A 80 -2.032 -2.157 -3.170 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.679 -3.249 -2.185 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.544 -3.595 -1.143 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.411 -3.831 -2.205 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -2.190 -4.558 -0.201 1.00 0.00 C ATOM 1277 CE2 TYR A 80 -0.024 -4.759 -1.243 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.921 -5.133 -0.253 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.498 -6.030 0.689 1.00 0.00 O ATOM 0 H TYR A 80 -1.977 -0.099 -4.647 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.509 -0.558 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.078 -2.268 -3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.439 -2.296 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.504 -3.107 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.285 -3.555 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.892 -4.857 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.968 -5.185 -1.267 1.00 0.00 H new ATOM 0 HH TYR A 80 0.415 -6.318 0.479 1.00 0.00 H new ATOM 1289 N ASN A 81 0.564 -0.688 -3.045 1.00 0.00 N ATOM 1290 CA ASN A 81 1.976 -0.728 -2.699 1.00 0.00 C ATOM 1291 C ASN A 81 2.394 0.577 -2.023 1.00 0.00 C ATOM 1292 O ASN A 81 3.114 0.562 -1.025 1.00 0.00 O ATOM 1293 CB ASN A 81 2.837 -1.110 -3.901 1.00 0.00 C ATOM 1294 CG ASN A 81 2.935 -0.011 -4.944 1.00 0.00 C ATOM 1295 OD1 ASN A 81 2.104 0.921 -4.954 1.00 0.00 O ATOM 1296 ND2 ASN A 81 4.077 0.034 -5.633 1.00 0.00 N ATOM 0 H ASN A 81 0.375 -0.777 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 81 2.143 -1.520 -1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.839 -1.363 -3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.424 -2.006 -4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.300 0.854 -6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.727 -0.751 -5.595 1.00 0.00 H new ATOM 1303 N THR A 82 1.668 1.639 -2.376 1.00 0.00 N ATOM 1304 CA THR A 82 1.948 2.962 -1.828 1.00 0.00 C ATOM 1305 C THR A 82 1.149 3.178 -0.544 1.00 0.00 C ATOM 1306 O THR A 82 1.640 3.813 0.392 1.00 0.00 O ATOM 1307 CB THR A 82 1.647 4.098 -2.890 1.00 0.00 C ATOM 1308 OG1 THR A 82 2.579 3.908 -3.991 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.742 5.518 -2.315 1.00 0.00 C ATOM 0 H THR A 82 0.889 1.608 -3.033 1.00 0.00 H new ATOM 0 HA THR A 82 3.010 3.018 -1.587 1.00 0.00 H new ATOM 0 HB THR A 82 0.613 4.008 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.447 4.297 -3.756 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.524 6.243 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.022 5.631 -1.505 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.748 5.689 -1.932 1.00 0.00 H new ATOM 1317 N ILE A 83 0.082 2.398 -0.410 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.625 2.266 0.866 1.00 0.00 C ATOM 1319 C ILE A 83 0.221 1.477 1.848 1.00 0.00 C ATOM 1320 O ILE A 83 0.463 1.921 2.974 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.066 1.714 0.626 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -2.980 2.919 0.202 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.705 0.941 1.793 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.167 3.959 1.334 1.00 0.00 C ATOM 0 H ILE A 83 -0.316 1.845 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.771 3.239 1.335 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.975 0.961 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.545 3.410 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.956 2.540 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.703 0.609 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.090 0.075 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.776 1.591 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.807 4.768 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.629 3.479 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.196 4.363 1.621 1.00 0.00 H new ATOM 1336 N ALA A 84 0.814 0.388 1.359 1.00 0.00 N ATOM 1337 CA ALA A 84 1.537 -0.534 2.222 1.00 0.00 C ATOM 1338 C ALA A 84 2.874 0.078 2.654 1.00 0.00 C ATOM 1339 O ALA A 84 3.248 -0.079 3.826 1.00 0.00 O ATOM 1340 CB ALA A 84 1.738 -1.877 1.534 1.00 0.00 C ATOM 0 H ALA A 84 0.806 0.127 0.373 1.00 0.00 H new ATOM 0 HA ALA A 84 0.941 -0.711 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.281 -2.549 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.768 -2.311 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.310 -1.734 0.617 1.00 0.00 H new ATOM 1346 N VAL A 85 3.329 1.064 1.881 1.00 0.00 N ATOM 1347 CA VAL A 85 4.298 2.041 2.371 1.00 0.00 C ATOM 1348 C VAL A 85 3.689 2.821 3.542 1.00 0.00 C ATOM 1349 O VAL A 85 4.366 2.999 4.560 1.00 0.00 O ATOM 1350 CB VAL A 85 4.837 2.926 1.241 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.724 4.065 1.746 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.574 2.114 0.185 1.00 0.00 C ATOM 0 H VAL A 85 3.041 1.206 0.913 1.00 0.00 H new ATOM 0 HA VAL A 85 5.178 1.524 2.754 1.00 0.00 H new ATOM 0 HB VAL A 85 3.958 3.377 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.075 4.656 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.150 4.701 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.580 3.651 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.939 2.780 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.417 1.598 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.894 1.382 -0.251 1.00 0.00 H new ATOM 1362 N LEU A 86 2.660 3.603 3.219 1.00 0.00 N ATOM 1363 CA LEU A 86 2.152 4.626 4.116 1.00 0.00 C ATOM 1364 C LEU A 86 1.680 3.985 5.432 1.00 0.00 C ATOM 1365 O LEU A 86 1.962 4.520 6.507 1.00 0.00 O ATOM 1366 CB LEU A 86 1.053 5.413 3.395 1.00 0.00 C ATOM 1367 CG LEU A 86 0.660 6.753 3.995 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.883 7.604 4.305 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.250 7.482 3.013 1.00 0.00 C ATOM 0 H LEU A 86 2.161 3.542 2.332 1.00 0.00 H new ATOM 0 HA LEU A 86 2.937 5.333 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.376 5.583 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.162 4.787 3.350 1.00 0.00 H new ATOM 0 HG LEU A 86 0.136 6.578 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.566 8.555 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.520 7.080 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.441 7.787 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.539 8.446 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.280 7.639 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.142 6.883 2.830 1.00 0.00 H new ATOM 1381 N TYR A 87 1.421 2.679 5.324 1.00 0.00 N ATOM 1382 CA TYR A 87 1.258 1.823 6.488 1.00 0.00 C ATOM 1383 C TYR A 87 2.600 1.545 7.150 1.00 0.00 C ATOM 1384 O TYR A 87 2.756 1.700 8.362 1.00 0.00 O ATOM 1385 CB TYR A 87 0.549 0.503 6.117 1.00 0.00 C ATOM 1386 CG TYR A 87 -0.114 -0.167 7.318 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.628 -0.404 8.484 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.507 -0.132 7.435 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.006 -0.834 9.656 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -2.146 -0.515 8.611 1.00 0.00 C ATOM 1391 CZ TYR A 87 -1.387 -0.889 9.711 1.00 0.00 C ATOM 1392 OH TYR A 87 -2.047 -1.275 10.843 1.00 0.00 O ATOM 0 H TYR A 87 1.320 2.194 4.432 1.00 0.00 H new ATOM 0 HA TYR A 87 0.628 2.353 7.202 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.205 0.702 5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.273 -0.183 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.697 -0.251 8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.100 0.199 6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.597 -1.122 10.513 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.225 -0.521 8.667 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.783 -0.653 11.021 1.00 0.00 H new ATOM 1402 N CYS A 88 3.596 1.253 6.323 1.00 0.00 N ATOM 1403 CA CYS A 88 4.953 1.008 6.790 1.00 0.00 C ATOM 1404 C CYS A 88 5.479 2.237 7.548 1.00 0.00 C ATOM 1405 O CYS A 88 5.854 2.111 8.722 1.00 0.00 O ATOM 1406 CB CYS A 88 5.874 0.676 5.615 1.00 0.00 C ATOM 1407 SG CYS A 88 6.878 -0.809 5.799 1.00 0.00 S ATOM 0 H CYS A 88 3.485 1.180 5.312 1.00 0.00 H new ATOM 0 HA CYS A 88 4.939 0.154 7.467 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.263 0.570 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.539 1.523 5.449 1.00 0.00 H new ATOM 0 HG CYS A 88 6.356 -1.576 6.710 1.00 0.00 H new ATOM 1412 N VAL A 89 4.991 3.396 7.098 1.00 0.00 N ATOM 1413 CA VAL A 89 5.440 4.664 7.663 1.00 0.00 C ATOM 1414 C VAL A 89 4.701 4.939 8.972 1.00 0.00 C ATOM 1415 O VAL A 89 5.304 4.840 10.054 1.00 0.00 O ATOM 1416 CB VAL A 89 5.294 5.794 6.624 1.00 0.00 C ATOM 1417 CG1 VAL A 89 6.025 7.065 7.036 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.728 5.347 5.236 1.00 0.00 C ATOM 0 H VAL A 89 4.296 3.480 6.356 1.00 0.00 H new ATOM 0 HA VAL A 89 6.501 4.612 7.908 1.00 0.00 H new ATOM 0 HB VAL A 89 4.231 6.031 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.889 7.828 6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.622 7.426 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.088 6.852 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.609 6.173 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.774 5.041 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.112 4.507 4.915 1.00 0.00 H new ATOM 1428 N HIS A 90 3.374 4.819 8.902 1.00 0.00 N ATOM 1429 CA HIS A 90 2.529 5.201 10.024 1.00 0.00 C ATOM 1430 C HIS A 90 2.826 4.323 11.238 1.00 0.00 C ATOM 1431 O HIS A 90 2.542 4.704 12.373 1.00 0.00 O ATOM 1432 CB HIS A 90 1.013 5.127 9.723 1.00 0.00 C ATOM 1433 CG HIS A 90 0.602 5.993 8.565 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.961 7.310 8.431 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.378 5.779 7.648 1.00 0.00 C ATOM 1436 CE1 HIS A 90 0.307 7.835 7.406 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.577 6.960 6.979 1.00 0.00 N ATOM 0 H HIS A 90 2.870 4.464 8.089 1.00 0.00 H new ATOM 0 HA HIS A 90 2.770 6.245 10.225 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.740 4.093 9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.457 5.428 10.611 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.903 4.851 7.477 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.472 8.818 6.990 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.290 7.131 6.270 1.00 0.00 H new ATOM 1446 N GLN A 91 3.142 3.063 10.952 1.00 0.00 N ATOM 1447 CA GLN A 91 3.487 2.109 11.998 1.00 0.00 C ATOM 1448 C GLN A 91 4.738 2.572 12.744 1.00 0.00 C ATOM 1449 O GLN A 91 4.769 2.618 13.971 1.00 0.00 O ATOM 1450 CB GLN A 91 3.662 0.687 11.460 1.00 0.00 C ATOM 1451 CG GLN A 91 4.026 -0.333 12.521 1.00 0.00 C ATOM 1452 CD GLN A 91 3.058 -0.352 13.680 1.00 0.00 C ATOM 1453 OE1 GLN A 91 3.186 0.392 14.647 1.00 0.00 O ATOM 1454 NE2 GLN A 91 2.042 -1.202 13.553 1.00 0.00 N ATOM 0 H GLN A 91 3.166 2.681 10.007 1.00 0.00 H new ATOM 0 HA GLN A 91 2.651 2.075 12.696 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.737 0.377 10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.438 0.692 10.694 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.061 -1.324 12.068 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.027 -0.118 12.895 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.978 -1.801 12.730 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.327 -1.254 14.279 1.00 0.00 H new ATOM 1463 N ARG A 92 5.824 2.681 11.982 1.00 0.00 N ATOM 1464 CA ARG A 92 7.159 2.833 12.529 1.00 0.00 C ATOM 1465 C ARG A 92 8.188 2.723 11.382 1.00 0.00 C ATOM 1466 O ARG A 92 9.316 3.192 11.536 1.00 0.00 O ATOM 1467 CB ARG A 92 7.498 1.783 13.590 1.00 0.00 C ATOM 1468 CG ARG A 92 8.905 1.887 14.168 1.00 0.00 C ATOM 1469 CD ARG A 92 9.044 3.071 15.063 1.00 0.00 C ATOM 1470 NE ARG A 92 7.949 3.169 16.017 1.00 0.00 N ATOM 1471 CZ ARG A 92 7.328 4.315 16.302 1.00 0.00 C ATOM 1472 NH1 ARG A 92 7.802 5.485 15.885 1.00 0.00 N ATOM 1473 NH2 ARG A 92 6.239 4.291 17.072 1.00 0.00 N ATOM 0 H ARG A 92 5.796 2.666 10.962 1.00 0.00 H new ATOM 0 HA ARG A 92 7.196 3.809 13.012 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.779 1.866 14.405 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.372 0.792 13.153 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.138 0.980 14.725 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.628 1.957 13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.989 3.008 15.602 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.081 3.978 14.460 1.00 0.00 H new ATOM 0 HE ARG A 92 7.641 2.320 16.491 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.659 5.521 15.334 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.308 6.347 16.116 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.891 3.404 17.435 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.755 5.160 17.298 1.00 0.00 H new ATOM 1487 N ILE A 93 7.949 1.684 10.575 1.00 0.00 N ATOM 1488 CA ILE A 93 8.905 1.280 9.549 1.00 0.00 C ATOM 1489 C ILE A 93 9.086 2.402 8.535 1.00 0.00 C ATOM 1490 O ILE A 93 8.176 3.197 8.295 1.00 0.00 O ATOM 1491 CB ILE A 93 8.414 -0.054 8.864 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.951 -1.047 9.963 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.464 -0.674 7.922 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.414 -1.139 10.131 1.00 0.00 C ATOM 0 H ILE A 93 7.105 1.113 10.615 1.00 0.00 H new ATOM 0 HA ILE A 93 9.877 1.087 10.004 1.00 0.00 H new ATOM 0 HB ILE A 93 7.569 0.185 8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.339 -2.038 9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.392 -0.749 10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.064 -1.588 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.705 0.034 7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.367 -0.907 8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.176 -1.854 10.918 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.018 -0.159 10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.965 -1.468 9.194 1.00 0.00 H new ATOM 1506 N ASP A 94 10.325 2.576 8.073 1.00 0.00 N ATOM 1507 CA ASP A 94 10.562 3.351 6.859 1.00 0.00 C ATOM 1508 C ASP A 94 11.193 2.474 5.783 1.00 0.00 C ATOM 1509 O ASP A 94 12.038 1.627 6.074 1.00 0.00 O ATOM 1510 CB ASP A 94 11.321 4.642 7.140 1.00 0.00 C ATOM 1511 CG ASP A 94 12.743 4.417 7.619 1.00 0.00 C ATOM 1512 OD1 ASP A 94 13.104 3.305 8.033 1.00 0.00 O ATOM 1513 OD2 ASP A 94 13.469 5.433 7.690 1.00 0.00 O ATOM 0 H ASP A 94 11.164 2.198 8.513 1.00 0.00 H new ATOM 0 HA ASP A 94 9.603 3.682 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.343 5.246 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.779 5.216 7.892 1.00 0.00 H new ATOM 1518 N VAL A 95 11.011 2.907 4.530 1.00 0.00 N ATOM 1519 CA VAL A 95 11.383 2.052 3.398 1.00 0.00 C ATOM 1520 C VAL A 95 12.075 2.874 2.320 1.00 0.00 C ATOM 1521 O VAL A 95 12.463 4.022 2.556 1.00 0.00 O ATOM 1522 CB VAL A 95 10.183 1.210 2.950 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.390 0.657 4.139 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.259 1.948 1.997 1.00 0.00 C ATOM 0 H VAL A 95 10.621 3.815 4.279 1.00 0.00 H new ATOM 0 HA VAL A 95 12.130 1.315 3.692 1.00 0.00 H new ATOM 0 HB VAL A 95 10.610 0.370 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.550 0.067 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.038 0.026 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.017 1.484 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.430 1.298 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.871 2.842 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.812 2.235 1.103 1.00 0.00 H new ATOM 1534 N LYS A 96 12.513 2.167 1.277 1.00 0.00 N ATOM 1535 CA LYS A 96 13.422 2.718 0.287 1.00 0.00 C ATOM 1536 C LYS A 96 12.964 2.331 -1.121 1.00 0.00 C ATOM 1537 O LYS A 96 12.941 3.157 -2.029 1.00 0.00 O ATOM 1538 CB LYS A 96 14.857 2.235 0.489 1.00 0.00 C ATOM 1539 CG LYS A 96 14.971 0.740 0.791 1.00 0.00 C ATOM 1540 CD LYS A 96 15.729 -0.027 -0.276 1.00 0.00 C ATOM 1541 CE LYS A 96 17.059 0.514 -0.600 1.00 0.00 C ATOM 1542 NZ LYS A 96 18.124 -0.154 0.191 1.00 0.00 N ATOM 0 H LYS A 96 12.245 1.199 1.100 1.00 0.00 H new ATOM 0 HA LYS A 96 13.406 3.801 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.435 2.460 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.307 2.796 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.471 0.606 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.971 0.318 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.843 -1.060 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.129 -0.045 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 96 17.257 0.383 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.075 1.586 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.049 0.250 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.947 -0.007 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.123 -1.173 -0.017 1.00 0.00 H new ATOM 1556 N ASP A 97 12.460 1.109 -1.239 1.00 0.00 N ATOM 1557 CA ASP A 97 11.528 0.765 -2.326 1.00 0.00 C ATOM 1558 C ASP A 97 10.164 0.451 -1.722 1.00 0.00 C ATOM 1559 O ASP A 97 10.069 0.045 -0.565 1.00 0.00 O ATOM 1560 CB ASP A 97 12.127 -0.301 -3.223 1.00 0.00 C ATOM 1561 CG ASP A 97 11.147 -1.039 -4.112 1.00 0.00 C ATOM 1562 OD1 ASP A 97 10.616 -2.093 -3.717 1.00 0.00 O ATOM 1563 OD2 ASP A 97 11.077 -0.657 -5.300 1.00 0.00 O ATOM 0 H ASP A 97 12.674 0.339 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 97 11.362 1.605 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.883 0.165 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.641 -1.030 -2.597 1.00 0.00 H new ATOM 1568 N THR A 98 9.140 0.487 -2.572 1.00 0.00 N ATOM 1569 CA THR A 98 7.796 0.124 -2.169 1.00 0.00 C ATOM 1570 C THR A 98 7.737 -1.357 -1.776 1.00 0.00 C ATOM 1571 O THR A 98 6.919 -1.728 -0.927 1.00 0.00 O ATOM 1572 CB THR A 98 6.712 0.436 -3.281 1.00 0.00 C ATOM 1573 OG1 THR A 98 7.310 1.381 -4.206 1.00 0.00 O ATOM 1574 CG2 THR A 98 5.378 0.918 -2.701 1.00 0.00 C ATOM 0 H THR A 98 9.223 0.767 -3.549 1.00 0.00 H new ATOM 0 HA THR A 98 7.552 0.743 -1.305 1.00 0.00 H new ATOM 0 HB THR A 98 6.443 -0.479 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.604 1.834 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.678 1.115 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.967 0.150 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.539 1.833 -2.131 1.00 0.00 H new ATOM 1582 N LYS A 99 8.227 -2.188 -2.699 1.00 0.00 N ATOM 1583 CA LYS A 99 8.189 -3.631 -2.519 1.00 0.00 C ATOM 1584 C LYS A 99 8.994 -4.035 -1.284 1.00 0.00 C ATOM 1585 O LYS A 99 8.601 -4.942 -0.551 1.00 0.00 O ATOM 1586 CB LYS A 99 8.748 -4.372 -3.736 1.00 0.00 C ATOM 1587 CG LYS A 99 7.697 -5.164 -4.514 1.00 0.00 C ATOM 1588 CD LYS A 99 6.713 -4.279 -5.257 1.00 0.00 C ATOM 1589 CE LYS A 99 7.208 -3.740 -6.534 1.00 0.00 C ATOM 1590 NZ LYS A 99 8.414 -2.897 -6.337 1.00 0.00 N ATOM 0 H LYS A 99 8.652 -1.882 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 99 7.143 -3.909 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.215 -3.650 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.532 -5.054 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.198 -5.818 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.150 -5.806 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.805 -4.851 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.436 -3.446 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.444 -4.562 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.424 -3.150 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.530 -2.261 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.305 -2.333 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.253 -3.506 -6.251 1.00 0.00 H new ATOM 1604 N GLU A 100 9.944 -3.173 -0.930 1.00 0.00 N ATOM 1605 CA GLU A 100 10.676 -3.298 0.320 1.00 0.00 C ATOM 1606 C GLU A 100 9.739 -3.083 1.509 1.00 0.00 C ATOM 1607 O GLU A 100 9.568 -3.991 2.333 1.00 0.00 O ATOM 1608 CB GLU A 100 11.799 -2.253 0.308 1.00 0.00 C ATOM 1609 CG GLU A 100 13.121 -2.484 0.769 1.00 0.00 C ATOM 1610 CD GLU A 100 13.431 -2.091 2.183 1.00 0.00 C ATOM 1611 OE1 GLU A 100 12.592 -2.540 2.993 1.00 0.00 O ATOM 1612 OE2 GLU A 100 14.391 -1.415 2.511 1.00 0.00 O ATOM 0 H GLU A 100 10.224 -2.375 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 100 11.099 -4.298 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.894 -1.925 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.425 -1.403 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.337 -3.547 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.807 -1.949 0.111 1.00 0.00 H new ATOM 1619 N ALA A 101 8.906 -2.052 1.390 1.00 0.00 N ATOM 1620 CA ALA A 101 7.810 -1.831 2.321 1.00 0.00 C ATOM 1621 C ALA A 101 6.849 -3.022 2.296 1.00 0.00 C ATOM 1622 O ALA A 101 6.807 -3.799 3.260 1.00 0.00 O ATOM 1623 CB ALA A 101 7.075 -0.538 1.987 1.00 0.00 C ATOM 0 H ALA A 101 8.973 -1.353 0.650 1.00 0.00 H new ATOM 0 HA ALA A 101 8.220 -1.737 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.259 -0.390 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.768 0.301 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.672 -0.599 0.976 1.00 0.00 H new ATOM 1629 N LEU A 102 6.456 -3.394 1.078 1.00 0.00 N ATOM 1630 CA LEU A 102 5.480 -4.453 0.891 1.00 0.00 C ATOM 1631 C LEU A 102 6.047 -5.807 1.290 1.00 0.00 C ATOM 1632 O LEU A 102 5.372 -6.832 1.174 1.00 0.00 O ATOM 1633 CB LEU A 102 4.990 -4.395 -0.569 1.00 0.00 C ATOM 1634 CG LEU A 102 3.769 -3.532 -0.839 1.00 0.00 C ATOM 1635 CD1 LEU A 102 4.013 -2.093 -0.406 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.451 -3.589 -2.329 1.00 0.00 C ATOM 0 H LEU A 102 6.800 -2.976 0.213 1.00 0.00 H new ATOM 0 HA LEU A 102 4.622 -4.308 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.809 -4.032 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.769 -5.411 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 102 2.925 -3.912 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.124 -1.496 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.231 -2.066 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.859 -1.685 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.576 -2.974 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.302 -3.214 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.247 -4.620 -2.618 1.00 0.00 H new ATOM 1648 N ASP A 103 7.338 -5.820 1.609 1.00 0.00 N ATOM 1649 CA ASP A 103 7.965 -6.993 2.196 1.00 0.00 C ATOM 1650 C ASP A 103 7.714 -7.023 3.708 1.00 0.00 C ATOM 1651 O ASP A 103 6.911 -7.851 4.170 1.00 0.00 O ATOM 1652 CB ASP A 103 9.432 -7.112 1.807 1.00 0.00 C ATOM 1653 CG ASP A 103 10.032 -8.471 2.121 1.00 0.00 C ATOM 1654 OD1 ASP A 103 9.415 -9.513 1.855 1.00 0.00 O ATOM 1655 OD2 ASP A 103 11.170 -8.467 2.637 1.00 0.00 O ATOM 0 H ASP A 103 7.968 -5.030 1.470 1.00 0.00 H new ATOM 0 HA ASP A 103 7.500 -7.888 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.534 -6.916 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.002 -6.343 2.328 1.00 0.00 H new ATOM 1660 N LYS A 104 7.962 -5.867 4.330 1.00 0.00 N ATOM 1661 CA LYS A 104 7.575 -5.630 5.710 1.00 0.00 C ATOM 1662 C LYS A 104 6.060 -5.787 5.874 1.00 0.00 C ATOM 1663 O LYS A 104 5.605 -6.641 6.644 1.00 0.00 O ATOM 1664 CB LYS A 104 7.971 -4.232 6.191 1.00 0.00 C ATOM 1665 CG LYS A 104 8.170 -4.134 7.705 1.00 0.00 C ATOM 1666 CD LYS A 104 9.626 -3.986 8.105 1.00 0.00 C ATOM 1667 CE LYS A 104 9.890 -4.125 9.546 1.00 0.00 C ATOM 1668 NZ LYS A 104 9.041 -5.180 10.155 1.00 0.00 N ATOM 0 H LYS A 104 8.434 -5.078 3.888 1.00 0.00 H new ATOM 0 HA LYS A 104 8.104 -6.368 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.893 -3.934 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.201 -3.522 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.606 -3.282 8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.758 -5.025 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.212 -4.732 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.980 -3.008 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.941 -4.367 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.704 -3.174 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.446 -5.467 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.080 -4.810 10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.001 -6.003 9.520 1.00 0.00 H new ATOM 1682 N ILE A 105 5.343 -5.345 4.834 1.00 0.00 N ATOM 1683 CA ILE A 105 3.887 -5.224 4.953 1.00 0.00 C ATOM 1684 C ILE A 105 3.217 -6.526 4.531 1.00 0.00 C ATOM 1685 O ILE A 105 2.236 -6.950 5.153 1.00 0.00 O ATOM 1686 CB ILE A 105 3.399 -3.994 4.099 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.239 -2.749 4.497 1.00 0.00 C ATOM 1688 CG2 ILE A 105 1.884 -3.736 4.191 1.00 0.00 C ATOM 1689 CD1 ILE A 105 3.758 -2.022 5.775 1.00 0.00 C ATOM 0 H ILE A 105 5.731 -5.074 3.930 1.00 0.00 H new ATOM 0 HA ILE A 105 3.606 -5.044 5.991 1.00 0.00 H new ATOM 0 HB ILE A 105 3.563 -4.224 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.275 -3.058 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.229 -2.041 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.624 -2.874 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.343 -4.612 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.611 -3.539 5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.405 -1.167 5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.734 -1.677 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.796 -2.709 6.620 1.00 0.00 H new ATOM 1701 N GLU A 106 3.939 -7.300 3.722 1.00 0.00 N ATOM 1702 CA GLU A 106 3.596 -8.687 3.454 1.00 0.00 C ATOM 1703 C GLU A 106 3.684 -9.515 4.733 1.00 0.00 C ATOM 1704 O GLU A 106 3.078 -10.580 4.837 1.00 0.00 O ATOM 1705 CB GLU A 106 4.568 -9.217 2.392 1.00 0.00 C ATOM 1706 CG GLU A 106 4.906 -10.584 2.212 1.00 0.00 C ATOM 1707 CD GLU A 106 4.074 -11.374 1.248 1.00 0.00 C ATOM 1708 OE1 GLU A 106 3.400 -10.881 0.360 1.00 0.00 O ATOM 1709 OE2 GLU A 106 4.172 -12.606 1.437 1.00 0.00 O ATOM 0 H GLU A 106 4.777 -6.979 3.236 1.00 0.00 H new ATOM 0 HA GLU A 106 2.571 -8.760 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.180 -8.875 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.510 -8.694 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.944 -10.635 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.855 -11.075 3.184 1.00 0.00 H new