USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 965 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 60 GLN :FLIP amide:sc= -5.38! C(o=-10!,f=-5.2!) USER MOD Set 1.2: A 108 THR OG1 : rot 50:sc= 0.165 USER MOD Set 2.1: A 48 ASN : amide:sc= 1.13 K(o=3.3,f=2.1) USER MOD Set 2.2: A 50 SER OG : rot 159:sc= 1.16 USER MOD Set 2.3: A 111 HIS : no HE2:sc= 1.02 K(o=3.3,f=-2.6!) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.3!) USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc=-0.00725 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0502) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 140:sc= -2.12 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc=0.000104 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc=-0.00803 X(o=-0.008,f=-0.008) USER MOD Single : A 72 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.32) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.73! C(o=-2.7!,f=-9.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.2) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0548 F(o=-1!,f=-0.055) USER MOD Single : A 97 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 0:sc= -0.404 USER MOD Single : A 113 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.017) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN :FLIP amide:sc= 0.284 F(o=-2.3!,f=0.28) USER MOD Single : A 123 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.059) USER MOD Single : A 124 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.51) USER MOD Single : A 129 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 131 GLN : amide:sc= 0.0367 X(o=0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ILE A 13 0.209 -13.795 8.210 1.00 0.00 N ATOM 133 CA ILE A 13 1.239 -12.805 7.918 1.00 0.00 C ATOM 134 C ILE A 13 1.061 -11.557 8.776 1.00 0.00 C ATOM 135 O ILE A 13 0.046 -10.865 8.707 1.00 0.00 O ATOM 136 CB ILE A 13 1.225 -12.399 6.433 1.00 0.00 C ATOM 137 CG1 ILE A 13 1.704 -13.561 5.559 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.093 -11.170 6.211 1.00 0.00 C ATOM 139 CD1 ILE A 13 1.092 -13.569 4.176 1.00 0.00 C ATOM 0 HA ILE A 13 2.197 -13.269 8.150 1.00 0.00 H new ATOM 0 HB ILE A 13 0.202 -12.153 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.789 -13.513 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.468 -14.501 6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.073 -10.896 5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.711 -10.342 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.118 -11.390 6.509 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.477 -14.419 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.008 -13.649 4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.350 -12.645 3.659 1.00 0.00 H new ATOM 151 N PRO A 14 2.073 -11.261 9.605 1.00 0.00 N ATOM 152 CA PRO A 14 2.054 -10.093 10.492 1.00 0.00 C ATOM 153 C PRO A 14 2.169 -8.781 9.724 1.00 0.00 C ATOM 154 O PRO A 14 2.422 -8.775 8.520 1.00 0.00 O ATOM 155 CB PRO A 14 3.283 -10.302 11.380 1.00 0.00 C ATOM 156 CG PRO A 14 4.199 -11.149 10.566 1.00 0.00 C ATOM 157 CD PRO A 14 3.314 -12.042 9.741 1.00 0.00 C ATOM 0 HA PRO A 14 1.119 -10.017 11.046 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.749 -9.352 11.641 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.016 -10.793 12.316 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.836 -10.535 9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.859 -11.736 11.205 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.758 -12.262 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.135 -12.997 10.234 1.00 0.00 H new ATOM 165 N ASP A 15 1.981 -7.671 10.429 1.00 0.00 N ATOM 166 CA ASP A 15 2.065 -6.351 9.814 1.00 0.00 C ATOM 167 C ASP A 15 3.478 -6.076 9.309 1.00 0.00 C ATOM 168 O ASP A 15 4.426 -6.770 9.676 1.00 0.00 O ATOM 169 CB ASP A 15 1.648 -5.271 10.814 1.00 0.00 C ATOM 170 CG ASP A 15 0.148 -5.054 10.840 1.00 0.00 C ATOM 171 OD1 ASP A 15 -0.573 -5.951 11.324 1.00 0.00 O ATOM 172 OD2 ASP A 15 -0.304 -3.986 10.377 1.00 0.00 O ATOM 0 H ASP A 15 1.769 -7.659 11.427 1.00 0.00 H new ATOM 0 HA ASP A 15 1.384 -6.330 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.989 -5.552 11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.143 -4.334 10.560 1.00 0.00 H new ATOM 177 N LEU A 16 3.611 -5.060 8.463 1.00 0.00 N ATOM 178 CA LEU A 16 4.908 -4.693 7.906 1.00 0.00 C ATOM 179 C LEU A 16 5.046 -3.177 7.801 1.00 0.00 C ATOM 180 O LEU A 16 4.193 -2.504 7.223 1.00 0.00 O ATOM 181 CB LEU A 16 5.092 -5.330 6.528 1.00 0.00 C ATOM 182 CG LEU A 16 6.530 -5.660 6.127 1.00 0.00 C ATOM 183 CD1 LEU A 16 6.549 -6.641 4.965 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.288 -4.390 5.767 1.00 0.00 C ATOM 0 H LEU A 16 2.836 -4.476 8.148 1.00 0.00 H new ATOM 0 HA LEU A 16 5.682 -5.064 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.507 -6.249 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.673 -4.657 5.780 1.00 0.00 H new ATOM 0 HG LEU A 16 7.026 -6.127 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.581 -6.864 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.044 -7.561 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.036 -6.202 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.310 -4.644 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.793 -3.895 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.305 -3.720 6.627 1.00 0.00 H new ATOM 196 N LYS A 17 6.128 -2.647 8.360 1.00 0.00 N ATOM 197 CA LYS A 17 6.382 -1.211 8.327 1.00 0.00 C ATOM 198 C LYS A 17 7.113 -0.818 7.047 1.00 0.00 C ATOM 199 O LYS A 17 8.161 -1.376 6.722 1.00 0.00 O ATOM 200 CB LYS A 17 7.205 -0.790 9.546 1.00 0.00 C ATOM 201 CG LYS A 17 7.780 0.612 9.437 1.00 0.00 C ATOM 202 CD LYS A 17 8.868 0.850 10.470 1.00 0.00 C ATOM 203 CE LYS A 17 10.238 0.459 9.938 1.00 0.00 C ATOM 204 NZ LYS A 17 10.763 1.460 8.969 1.00 0.00 N ATOM 0 H LYS A 17 6.844 -3.190 8.842 1.00 0.00 H new ATOM 0 HA LYS A 17 5.421 -0.696 8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.577 -0.848 10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.021 -1.499 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.187 0.763 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.984 1.344 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.875 1.902 10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.649 0.275 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.935 0.358 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.175 -0.516 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.769 1.271 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.230 1.394 8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.658 2.416 9.366 1.00 0.00 H new ATOM 218 N VAL A 18 6.553 0.148 6.325 1.00 0.00 N ATOM 219 CA VAL A 18 7.153 0.618 5.082 1.00 0.00 C ATOM 220 C VAL A 18 7.665 2.047 5.225 1.00 0.00 C ATOM 221 O VAL A 18 8.686 2.413 4.642 1.00 0.00 O ATOM 222 CB VAL A 18 6.148 0.559 3.916 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.715 -0.876 3.657 1.00 0.00 C ATOM 224 CG2 VAL A 18 4.946 1.445 4.204 1.00 0.00 C ATOM 0 H VAL A 18 5.685 0.620 6.580 1.00 0.00 H new ATOM 0 HA VAL A 18 7.990 -0.045 4.864 1.00 0.00 H new ATOM 0 HB VAL A 18 6.638 0.933 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.005 -0.898 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.587 -1.479 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.242 -1.281 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.246 1.391 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.453 1.104 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.276 2.475 4.335 1.00 0.00 H new ATOM 234 N PHE A 19 6.950 2.851 6.005 1.00 0.00 N ATOM 235 CA PHE A 19 7.331 4.241 6.225 1.00 0.00 C ATOM 236 C PHE A 19 6.985 4.682 7.644 1.00 0.00 C ATOM 237 O PHE A 19 5.869 4.467 8.116 1.00 0.00 O ATOM 238 CB PHE A 19 6.633 5.150 5.211 1.00 0.00 C ATOM 239 CG PHE A 19 6.990 6.601 5.361 1.00 0.00 C ATOM 240 CD1 PHE A 19 8.170 7.096 4.830 1.00 0.00 C ATOM 241 CD2 PHE A 19 6.146 7.470 6.035 1.00 0.00 C ATOM 242 CE1 PHE A 19 8.501 8.432 4.967 1.00 0.00 C ATOM 243 CE2 PHE A 19 6.472 8.805 6.174 1.00 0.00 C ATOM 244 CZ PHE A 19 7.652 9.287 5.640 1.00 0.00 C ATOM 0 H PHE A 19 6.103 2.563 6.495 1.00 0.00 H new ATOM 0 HA PHE A 19 8.410 4.321 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.891 4.823 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.554 5.037 5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.839 6.431 4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.223 7.099 6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.423 8.806 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.805 9.472 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.909 10.330 5.749 1.00 0.00 H new ATOM 254 N GLU A 20 7.950 5.299 8.318 1.00 0.00 N ATOM 255 CA GLU A 20 7.747 5.769 9.683 1.00 0.00 C ATOM 256 C GLU A 20 8.232 7.207 9.841 1.00 0.00 C ATOM 257 O GLU A 20 9.403 7.508 9.606 1.00 0.00 O ATOM 258 CB GLU A 20 8.480 4.861 10.673 1.00 0.00 C ATOM 259 CG GLU A 20 7.880 4.872 12.068 1.00 0.00 C ATOM 260 CD GLU A 20 6.800 3.822 12.248 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.877 3.770 11.409 1.00 0.00 O ATOM 262 OE2 GLU A 20 6.880 3.052 13.228 1.00 0.00 O ATOM 0 H GLU A 20 8.879 5.485 7.941 1.00 0.00 H new ATOM 0 HA GLU A 20 6.678 5.738 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.472 3.840 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.523 5.171 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.670 4.704 12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.461 5.857 12.271 1.00 0.00 H new ATOM 269 N ARG A 21 7.323 8.091 10.240 1.00 0.00 N ATOM 270 CA ARG A 21 7.657 9.498 10.427 1.00 0.00 C ATOM 271 C ARG A 21 7.269 9.967 11.827 1.00 0.00 C ATOM 272 O ARG A 21 6.312 9.465 12.416 1.00 0.00 O ATOM 273 CB ARG A 21 6.951 10.356 9.376 1.00 0.00 C ATOM 274 CG ARG A 21 7.508 11.766 9.267 1.00 0.00 C ATOM 275 CD ARG A 21 7.055 12.446 7.984 1.00 0.00 C ATOM 276 NE ARG A 21 7.053 13.902 8.108 1.00 0.00 N ATOM 277 CZ ARG A 21 6.885 14.726 7.080 1.00 0.00 C ATOM 278 NH1 ARG A 21 6.706 14.241 5.859 1.00 0.00 N ATOM 279 NH2 ARG A 21 6.895 16.039 7.272 1.00 0.00 N ATOM 0 H ARG A 21 6.350 7.858 10.440 1.00 0.00 H new ATOM 0 HA ARG A 21 8.735 9.608 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.032 9.866 8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.890 10.411 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.184 12.354 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.597 11.732 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.713 12.153 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.053 12.103 7.726 1.00 0.00 H new ATOM 0 HE ARG A 21 7.188 14.307 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.697 13.232 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.577 14.876 5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.032 16.416 8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.766 16.671 6.482 1.00 0.00 H new ATOM 293 N GLU A 22 8.019 10.931 12.351 1.00 0.00 N ATOM 294 CA GLU A 22 7.753 11.466 13.682 1.00 0.00 C ATOM 295 C GLU A 22 6.252 11.566 13.938 1.00 0.00 C ATOM 296 O GLU A 22 5.800 11.490 15.080 1.00 0.00 O ATOM 297 CB GLU A 22 8.403 12.842 13.842 1.00 0.00 C ATOM 298 CG GLU A 22 7.943 13.855 12.807 1.00 0.00 C ATOM 299 CD GLU A 22 8.338 15.275 13.165 1.00 0.00 C ATOM 300 OE1 GLU A 22 9.524 15.498 13.486 1.00 0.00 O ATOM 301 OE2 GLU A 22 7.461 16.163 13.124 1.00 0.00 O ATOM 0 H GLU A 22 8.814 11.357 11.876 1.00 0.00 H new ATOM 0 HA GLU A 22 8.183 10.782 14.414 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.181 13.226 14.838 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.486 12.733 13.776 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.369 13.597 11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.859 13.798 12.705 1.00 0.00 H new ATOM 308 N GLY A 23 5.485 11.739 12.866 1.00 0.00 N ATOM 309 CA GLY A 23 4.044 11.848 12.995 1.00 0.00 C ATOM 310 C GLY A 23 3.305 10.964 12.010 1.00 0.00 C ATOM 311 O GLY A 23 2.307 10.333 12.359 1.00 0.00 O ATOM 0 H GLY A 23 5.836 11.806 11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.752 11.579 14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.746 12.885 12.842 1.00 0.00 H new ATOM 315 N VAL A 24 3.793 10.920 10.775 1.00 0.00 N ATOM 316 CA VAL A 24 3.172 10.107 9.736 1.00 0.00 C ATOM 317 C VAL A 24 3.667 8.666 9.796 1.00 0.00 C ATOM 318 O VAL A 24 4.856 8.401 9.620 1.00 0.00 O ATOM 319 CB VAL A 24 3.455 10.678 8.333 1.00 0.00 C ATOM 320 CG1 VAL A 24 2.752 9.849 7.269 1.00 0.00 C ATOM 321 CG2 VAL A 24 3.027 12.135 8.256 1.00 0.00 C ATOM 0 H VAL A 24 4.617 11.438 10.469 1.00 0.00 H new ATOM 0 HA VAL A 24 2.098 10.126 9.918 1.00 0.00 H new ATOM 0 HB VAL A 24 4.528 10.629 8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.963 10.266 6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.112 8.821 7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.677 9.865 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.234 12.523 7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.959 12.212 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.581 12.716 8.993 1.00 0.00 H new ATOM 331 N GLN A 25 2.747 7.740 10.044 1.00 0.00 N ATOM 332 CA GLN A 25 3.091 6.326 10.127 1.00 0.00 C ATOM 333 C GLN A 25 2.350 5.522 9.063 1.00 0.00 C ATOM 334 O GLN A 25 1.136 5.654 8.904 1.00 0.00 O ATOM 335 CB GLN A 25 2.760 5.779 11.518 1.00 0.00 C ATOM 336 CG GLN A 25 3.834 6.066 12.555 1.00 0.00 C ATOM 337 CD GLN A 25 3.272 6.191 13.957 1.00 0.00 C ATOM 338 OE1 GLN A 25 2.070 6.390 14.142 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.139 6.075 14.956 1.00 0.00 N ATOM 0 H GLN A 25 1.758 7.943 10.191 1.00 0.00 H new ATOM 0 HA GLN A 25 4.162 6.228 9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.817 6.210 11.854 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.611 4.701 11.450 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.576 5.268 12.535 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.351 6.989 12.291 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.126 5.910 14.758 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.818 6.150 15.921 1.00 0.00 H new ATOM 348 N LEU A 26 3.089 4.690 8.337 1.00 0.00 N ATOM 349 CA LEU A 26 2.502 3.865 7.287 1.00 0.00 C ATOM 350 C LEU A 26 2.738 2.383 7.563 1.00 0.00 C ATOM 351 O LEU A 26 3.863 1.963 7.830 1.00 0.00 O ATOM 352 CB LEU A 26 3.092 4.241 5.926 1.00 0.00 C ATOM 353 CG LEU A 26 2.259 3.853 4.704 1.00 0.00 C ATOM 354 CD1 LEU A 26 1.043 4.757 4.578 1.00 0.00 C ATOM 355 CD2 LEU A 26 3.106 3.915 3.441 1.00 0.00 C ATOM 0 H LEU A 26 4.095 4.569 8.456 1.00 0.00 H new ATOM 0 HA LEU A 26 1.427 4.047 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.250 5.319 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.073 3.774 5.836 1.00 0.00 H new ATOM 0 HG LEU A 26 1.911 2.828 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.462 4.466 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.425 4.663 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.368 5.792 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.498 3.636 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.483 4.929 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.945 3.225 3.531 1.00 0.00 H new ATOM 367 N ASN A 27 1.669 1.597 7.496 1.00 0.00 N ATOM 368 CA ASN A 27 1.759 0.161 7.737 1.00 0.00 C ATOM 369 C ASN A 27 1.299 -0.626 6.514 1.00 0.00 C ATOM 370 O ASN A 27 0.620 -0.091 5.636 1.00 0.00 O ATOM 371 CB ASN A 27 0.917 -0.226 8.954 1.00 0.00 C ATOM 372 CG ASN A 27 1.568 0.182 10.262 1.00 0.00 C ATOM 373 OD1 ASN A 27 2.293 -0.600 10.877 1.00 0.00 O ATOM 374 ND2 ASN A 27 1.311 1.412 10.692 1.00 0.00 N ATOM 0 H ASN A 27 0.730 1.930 7.277 1.00 0.00 H new ATOM 0 HA ASN A 27 2.803 -0.085 7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.064 0.243 8.878 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.756 -1.304 8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.721 1.743 11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.704 2.026 10.149 1.00 0.00 H new ATOM 381 N LEU A 28 1.671 -1.900 6.463 1.00 0.00 N ATOM 382 CA LEU A 28 1.296 -2.763 5.348 1.00 0.00 C ATOM 383 C LEU A 28 0.657 -4.054 5.850 1.00 0.00 C ATOM 384 O LEU A 28 1.097 -4.630 6.844 1.00 0.00 O ATOM 385 CB LEU A 28 2.523 -3.086 4.493 1.00 0.00 C ATOM 386 CG LEU A 28 2.256 -3.358 3.012 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.486 -3.033 2.179 1.00 0.00 C ATOM 388 CD2 LEU A 28 1.835 -4.806 2.803 1.00 0.00 C ATOM 0 H LEU A 28 2.232 -2.359 7.181 1.00 0.00 H new ATOM 0 HA LEU A 28 0.566 -2.231 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.223 -2.254 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.018 -3.959 4.919 1.00 0.00 H new ATOM 0 HG LEU A 28 1.441 -2.713 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.277 -3.233 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.743 -1.981 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.321 -3.652 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.649 -4.982 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.629 -5.469 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.925 -5.006 3.369 1.00 0.00 H new ATOM 400 N SER A 29 -0.382 -4.503 5.153 1.00 0.00 N ATOM 401 CA SER A 29 -1.083 -5.726 5.528 1.00 0.00 C ATOM 402 C SER A 29 -1.325 -6.609 4.308 1.00 0.00 C ATOM 403 O SER A 29 -1.708 -6.125 3.243 1.00 0.00 O ATOM 404 CB SER A 29 -2.415 -5.389 6.201 1.00 0.00 C ATOM 405 OG SER A 29 -2.223 -4.527 7.309 1.00 0.00 O ATOM 0 H SER A 29 -0.757 -4.039 4.326 1.00 0.00 H new ATOM 0 HA SER A 29 -0.457 -6.274 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.081 -4.916 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.902 -6.307 6.530 1.00 0.00 H new ATOM 0 HG SER A 29 -3.089 -4.326 7.721 1.00 0.00 H new ATOM 411 N PHE A 30 -1.099 -7.909 4.473 1.00 0.00 N ATOM 412 CA PHE A 30 -1.292 -8.861 3.386 1.00 0.00 C ATOM 413 C PHE A 30 -2.504 -9.750 3.649 1.00 0.00 C ATOM 414 O PHE A 30 -2.837 -10.037 4.799 1.00 0.00 O ATOM 415 CB PHE A 30 -0.041 -9.725 3.208 1.00 0.00 C ATOM 416 CG PHE A 30 1.225 -8.927 3.080 1.00 0.00 C ATOM 417 CD1 PHE A 30 1.839 -8.392 4.201 1.00 0.00 C ATOM 418 CD2 PHE A 30 1.801 -8.711 1.838 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.005 -7.657 4.086 1.00 0.00 C ATOM 420 CE2 PHE A 30 2.966 -7.978 1.717 1.00 0.00 C ATOM 421 CZ PHE A 30 3.568 -7.449 2.842 1.00 0.00 C ATOM 0 H PHE A 30 -0.782 -8.326 5.348 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.469 -8.297 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.049 -10.400 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.161 -10.346 2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.402 -8.551 5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.334 -9.120 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.475 -7.246 4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.406 -7.819 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.477 -6.874 2.749 1.00 0.00 H new ATOM 431 N ILE A 31 -3.158 -10.181 2.576 1.00 0.00 N ATOM 432 CA ILE A 31 -4.332 -11.037 2.691 1.00 0.00 C ATOM 433 C ILE A 31 -4.381 -12.059 1.560 1.00 0.00 C ATOM 434 O ILE A 31 -4.341 -11.699 0.383 1.00 0.00 O ATOM 435 CB ILE A 31 -5.633 -10.213 2.680 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.803 -9.469 4.006 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.830 -11.115 2.416 1.00 0.00 C ATOM 438 CD1 ILE A 31 -5.099 -8.131 4.043 1.00 0.00 C ATOM 0 H ILE A 31 -2.895 -9.952 1.618 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.250 -11.558 3.645 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.572 -9.478 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.866 -9.316 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.423 -10.093 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.742 -10.518 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.711 -11.603 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.896 -11.871 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.263 -7.660 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.030 -8.278 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.496 -7.489 3.256 1.00 0.00 H new ATOM 450 N ARG A 32 -4.470 -13.333 1.925 1.00 0.00 N ATOM 451 CA ARG A 32 -4.525 -14.407 0.940 1.00 0.00 C ATOM 452 C ARG A 32 -5.810 -15.216 1.089 1.00 0.00 C ATOM 453 O ARG A 32 -5.934 -16.077 1.960 1.00 0.00 O ATOM 454 CB ARG A 32 -3.311 -15.327 1.089 1.00 0.00 C ATOM 455 CG ARG A 32 -1.981 -14.594 1.031 1.00 0.00 C ATOM 456 CD ARG A 32 -1.675 -13.892 2.345 1.00 0.00 C ATOM 457 NE ARG A 32 -1.987 -14.730 3.499 1.00 0.00 N ATOM 458 CZ ARG A 32 -2.263 -14.247 4.705 1.00 0.00 C ATOM 459 NH1 ARG A 32 -2.267 -12.937 4.913 1.00 0.00 N ATOM 460 NH2 ARG A 32 -2.538 -15.074 5.706 1.00 0.00 N ATOM 0 H ARG A 32 -4.506 -13.647 2.895 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.512 -13.957 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.382 -15.858 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.337 -16.079 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.184 -15.301 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.002 -13.863 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.621 -13.616 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.248 -12.967 2.404 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.993 -15.742 3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.058 -12.298 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.479 -12.568 5.840 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.538 -16.082 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.750 -14.702 6.632 1.00 0.00 H new ATOM 474 N PRO A 33 -6.791 -14.933 0.219 1.00 0.00 N ATOM 475 CA PRO A 33 -8.085 -15.623 0.234 1.00 0.00 C ATOM 476 C PRO A 33 -7.972 -17.076 -0.215 1.00 0.00 C ATOM 477 O PRO A 33 -7.097 -17.442 -0.999 1.00 0.00 O ATOM 478 CB PRO A 33 -8.926 -14.819 -0.762 1.00 0.00 C ATOM 479 CG PRO A 33 -7.933 -14.196 -1.680 1.00 0.00 C ATOM 480 CD PRO A 33 -6.713 -13.919 -0.846 1.00 0.00 C ATOM 0 HA PRO A 33 -8.512 -15.668 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.618 -15.462 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.525 -14.063 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.696 -14.863 -2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.326 -13.276 -2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.797 -14.018 -1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.725 -12.908 -0.440 1.00 0.00 H new ATOM 488 N PRO A 34 -8.879 -17.924 0.291 1.00 0.00 N ATOM 489 CA PRO A 34 -8.902 -19.351 -0.044 1.00 0.00 C ATOM 490 C PRO A 34 -9.331 -19.600 -1.487 1.00 0.00 C ATOM 491 O PRO A 34 -8.792 -20.477 -2.161 1.00 0.00 O ATOM 492 CB PRO A 34 -9.935 -19.928 0.927 1.00 0.00 C ATOM 493 CG PRO A 34 -10.825 -18.780 1.259 1.00 0.00 C ATOM 494 CD PRO A 34 -9.951 -17.556 1.231 1.00 0.00 C ATOM 0 HA PRO A 34 -7.915 -19.806 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.495 -20.744 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.457 -20.330 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.638 -18.695 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.281 -18.911 2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.500 -16.678 0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.556 -17.322 2.219 1.00 0.00 H new ATOM 502 N GLU A 35 -10.303 -18.823 -1.953 1.00 0.00 N ATOM 503 CA GLU A 35 -10.804 -18.960 -3.316 1.00 0.00 C ATOM 504 C GLU A 35 -9.685 -18.742 -4.330 1.00 0.00 C ATOM 505 O GLU A 35 -9.603 -19.441 -5.339 1.00 0.00 O ATOM 506 CB GLU A 35 -11.939 -17.966 -3.569 1.00 0.00 C ATOM 507 CG GLU A 35 -11.552 -16.520 -3.306 1.00 0.00 C ATOM 508 CD GLU A 35 -12.614 -15.540 -3.763 1.00 0.00 C ATOM 509 OE1 GLU A 35 -12.616 -15.181 -4.959 1.00 0.00 O ATOM 510 OE2 GLU A 35 -13.444 -15.131 -2.924 1.00 0.00 O ATOM 0 H GLU A 35 -10.759 -18.092 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.187 -19.974 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.271 -18.062 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.787 -18.227 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.372 -16.384 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.615 -16.300 -3.818 1.00 0.00 H new ATOM 517 N ASN A 36 -8.827 -17.765 -4.055 1.00 0.00 N ATOM 518 CA ASN A 36 -7.713 -17.453 -4.944 1.00 0.00 C ATOM 519 C ASN A 36 -6.391 -17.463 -4.183 1.00 0.00 C ATOM 520 O ASN A 36 -5.965 -16.457 -3.615 1.00 0.00 O ATOM 521 CB ASN A 36 -7.926 -16.088 -5.601 1.00 0.00 C ATOM 522 CG ASN A 36 -8.733 -16.182 -6.882 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.233 -17.249 -7.236 1.00 0.00 O ATOM 524 ND2 ASN A 36 -8.861 -15.062 -7.584 1.00 0.00 N ATOM 0 H ASN A 36 -8.881 -17.176 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.672 -18.219 -5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.437 -15.427 -4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.958 -15.637 -5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.391 -15.064 -8.455 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.429 -14.200 -7.252 1.00 0.00 H new ATOM 531 N PRO A 37 -5.724 -18.626 -4.172 1.00 0.00 N ATOM 532 CA PRO A 37 -4.439 -18.796 -3.486 1.00 0.00 C ATOM 533 C PRO A 37 -3.309 -18.042 -4.178 1.00 0.00 C ATOM 534 O PRO A 37 -2.206 -17.931 -3.644 1.00 0.00 O ATOM 535 CB PRO A 37 -4.196 -20.305 -3.556 1.00 0.00 C ATOM 536 CG PRO A 37 -4.963 -20.758 -4.751 1.00 0.00 C ATOM 537 CD PRO A 37 -6.171 -19.866 -4.829 1.00 0.00 C ATOM 0 HA PRO A 37 -4.464 -18.401 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.135 -20.531 -3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.542 -20.804 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.360 -20.678 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.255 -21.804 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.472 -19.687 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.028 -20.305 -4.318 1.00 0.00 H new ATOM 545 N ALA A 38 -3.591 -17.525 -5.370 1.00 0.00 N ATOM 546 CA ALA A 38 -2.598 -16.779 -6.133 1.00 0.00 C ATOM 547 C ALA A 38 -2.879 -15.281 -6.083 1.00 0.00 C ATOM 548 O ALA A 38 -2.099 -14.475 -6.593 1.00 0.00 O ATOM 549 CB ALA A 38 -2.568 -17.264 -7.575 1.00 0.00 C ATOM 0 H ALA A 38 -4.499 -17.609 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.622 -16.954 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.822 -16.698 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.312 -18.323 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.548 -17.118 -8.028 1.00 0.00 H new ATOM 555 N LEU A 39 -3.996 -14.914 -5.465 1.00 0.00 N ATOM 556 CA LEU A 39 -4.380 -13.511 -5.348 1.00 0.00 C ATOM 557 C LEU A 39 -3.843 -12.905 -4.055 1.00 0.00 C ATOM 558 O LEU A 39 -4.146 -13.382 -2.961 1.00 0.00 O ATOM 559 CB LEU A 39 -5.903 -13.373 -5.395 1.00 0.00 C ATOM 560 CG LEU A 39 -6.455 -11.959 -5.216 1.00 0.00 C ATOM 561 CD1 LEU A 39 -6.256 -11.143 -6.484 1.00 0.00 C ATOM 562 CD2 LEU A 39 -7.927 -12.005 -4.835 1.00 0.00 C ATOM 0 H LEU A 39 -4.652 -15.568 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.946 -12.970 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.253 -13.760 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.329 -14.009 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.906 -11.476 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.655 -10.139 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.192 -11.080 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.778 -11.624 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.303 -10.989 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.491 -12.508 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.044 -12.551 -3.899 1.00 0.00 H new ATOM 574 N LEU A 40 -3.046 -11.851 -4.189 1.00 0.00 N ATOM 575 CA LEU A 40 -2.468 -11.178 -3.031 1.00 0.00 C ATOM 576 C LEU A 40 -3.129 -9.822 -2.804 1.00 0.00 C ATOM 577 O LEU A 40 -2.865 -8.861 -3.528 1.00 0.00 O ATOM 578 CB LEU A 40 -0.961 -10.997 -3.221 1.00 0.00 C ATOM 579 CG LEU A 40 -0.221 -10.287 -2.086 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.121 -11.191 -0.867 1.00 0.00 C ATOM 581 CD2 LEU A 40 1.162 -9.849 -2.543 1.00 0.00 C ATOM 0 H LEU A 40 -2.785 -11.444 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.645 -11.800 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.512 -11.980 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.796 -10.437 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.788 -9.398 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.408 -10.669 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.122 -11.454 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.423 -12.098 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.674 -9.346 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.738 -10.723 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.067 -9.164 -3.386 1.00 0.00 H new ATOM 593 N LEU A 41 -3.988 -9.750 -1.793 1.00 0.00 N ATOM 594 CA LEU A 41 -4.685 -8.511 -1.468 1.00 0.00 C ATOM 595 C LEU A 41 -3.953 -7.746 -0.370 1.00 0.00 C ATOM 596 O LEU A 41 -3.888 -8.194 0.775 1.00 0.00 O ATOM 597 CB LEU A 41 -6.119 -8.811 -1.026 1.00 0.00 C ATOM 598 CG LEU A 41 -6.910 -9.767 -1.920 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.182 -10.222 -1.221 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.239 -9.104 -3.250 1.00 0.00 C ATOM 0 H LEU A 41 -4.218 -10.535 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.709 -7.891 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.088 -9.228 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.664 -7.869 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.294 -10.644 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.732 -10.902 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.924 -10.736 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.803 -9.355 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.802 -9.799 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.836 -8.210 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.315 -8.828 -3.758 1.00 0.00 H new ATOM 612 N ILE A 42 -3.405 -6.589 -0.727 1.00 0.00 N ATOM 613 CA ILE A 42 -2.681 -5.760 0.228 1.00 0.00 C ATOM 614 C ILE A 42 -3.562 -4.635 0.759 1.00 0.00 C ATOM 615 O ILE A 42 -4.453 -4.147 0.063 1.00 0.00 O ATOM 616 CB ILE A 42 -1.414 -5.151 -0.402 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.372 -6.240 -0.662 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.842 -4.067 0.500 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.711 -5.822 -1.632 1.00 0.00 C ATOM 0 H ILE A 42 -3.449 -6.205 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.390 -6.410 1.053 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.683 -4.698 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.089 -6.524 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.874 -7.126 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.053 -3.646 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.583 -3.280 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.585 -4.497 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.414 -6.644 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.261 -5.566 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.239 -4.954 -1.236 1.00 0.00 H new ATOM 631 N THR A 43 -3.308 -4.226 1.998 1.00 0.00 N ATOM 632 CA THR A 43 -4.077 -3.158 2.624 1.00 0.00 C ATOM 633 C THR A 43 -3.164 -2.167 3.337 1.00 0.00 C ATOM 634 O THR A 43 -2.426 -2.536 4.251 1.00 0.00 O ATOM 635 CB THR A 43 -5.097 -3.718 3.634 1.00 0.00 C ATOM 636 OG1 THR A 43 -5.565 -4.999 3.199 1.00 0.00 O ATOM 637 CG2 THR A 43 -6.275 -2.769 3.796 1.00 0.00 C ATOM 0 H THR A 43 -2.575 -4.619 2.588 1.00 0.00 H new ATOM 0 HA THR A 43 -4.612 -2.644 1.825 1.00 0.00 H new ATOM 0 HB THR A 43 -4.600 -3.822 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.211 -5.349 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.982 -3.186 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.918 -1.804 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.770 -2.636 2.834 1.00 0.00 H new ATOM 645 N ILE A 44 -3.219 -0.909 2.913 1.00 0.00 N ATOM 646 CA ILE A 44 -2.398 0.135 3.513 1.00 0.00 C ATOM 647 C ILE A 44 -3.130 0.819 4.662 1.00 0.00 C ATOM 648 O ILE A 44 -4.351 0.980 4.627 1.00 0.00 O ATOM 649 CB ILE A 44 -1.990 1.197 2.475 1.00 0.00 C ATOM 650 CG1 ILE A 44 -1.858 0.562 1.089 1.00 0.00 C ATOM 651 CG2 ILE A 44 -0.686 1.864 2.884 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.302 1.504 0.044 1.00 0.00 C ATOM 0 H ILE A 44 -3.823 -0.588 2.157 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.501 -0.351 3.896 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.767 1.960 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.211 -0.313 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.837 0.210 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.411 2.612 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.812 2.346 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.101 1.113 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.236 0.987 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.960 2.367 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.309 1.837 0.346 1.00 0.00 H new ATOM 664 N THR A 45 -2.377 1.221 5.681 1.00 0.00 N ATOM 665 CA THR A 45 -2.954 1.889 6.841 1.00 0.00 C ATOM 666 C THR A 45 -2.147 3.124 7.223 1.00 0.00 C ATOM 667 O THR A 45 -1.324 3.081 8.137 1.00 0.00 O ATOM 668 CB THR A 45 -3.029 0.943 8.055 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.855 -0.186 7.746 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.584 1.666 9.272 1.00 0.00 C ATOM 0 H THR A 45 -1.366 1.096 5.726 1.00 0.00 H new ATOM 0 HA THR A 45 -3.964 2.190 6.562 1.00 0.00 H new ATOM 0 HB THR A 45 -2.019 0.602 8.285 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.896 -0.783 8.522 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.627 0.977 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.937 2.507 9.522 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.586 2.033 9.051 1.00 0.00 H new ATOM 678 N ALA A 46 -2.388 4.224 6.518 1.00 0.00 N ATOM 679 CA ALA A 46 -1.684 5.472 6.786 1.00 0.00 C ATOM 680 C ALA A 46 -2.354 6.249 7.914 1.00 0.00 C ATOM 681 O ALA A 46 -3.526 6.613 7.822 1.00 0.00 O ATOM 682 CB ALA A 46 -1.618 6.322 5.525 1.00 0.00 C ATOM 0 H ALA A 46 -3.065 4.276 5.757 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.669 5.227 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.090 7.251 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.088 5.775 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.629 6.549 5.186 1.00 0.00 H new ATOM 688 N THR A 47 -1.602 6.499 8.982 1.00 0.00 N ATOM 689 CA THR A 47 -2.123 7.231 10.130 1.00 0.00 C ATOM 690 C THR A 47 -1.391 8.555 10.316 1.00 0.00 C ATOM 691 O THR A 47 -0.191 8.653 10.063 1.00 0.00 O ATOM 692 CB THR A 47 -2.003 6.405 11.424 1.00 0.00 C ATOM 693 OG1 THR A 47 -0.682 5.866 11.541 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.021 5.274 11.440 1.00 0.00 C ATOM 0 H THR A 47 -0.630 6.205 9.075 1.00 0.00 H new ATOM 0 HA THR A 47 -3.176 7.426 9.929 1.00 0.00 H new ATOM 0 HB THR A 47 -2.202 7.064 12.269 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.614 5.343 12.367 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.917 4.704 12.363 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.027 5.689 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.849 4.617 10.587 1.00 0.00 H new ATOM 702 N ASN A 48 -2.122 9.572 10.761 1.00 0.00 N ATOM 703 CA ASN A 48 -1.542 10.892 10.981 1.00 0.00 C ATOM 704 C ASN A 48 -1.918 11.428 12.359 1.00 0.00 C ATOM 705 O ASN A 48 -3.071 11.331 12.781 1.00 0.00 O ATOM 706 CB ASN A 48 -2.009 11.865 9.897 1.00 0.00 C ATOM 707 CG ASN A 48 -1.237 13.170 9.920 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.006 13.176 9.915 1.00 0.00 O ATOM 709 ND2 ASN A 48 -1.959 14.284 9.947 1.00 0.00 N ATOM 0 H ASN A 48 -3.117 9.507 10.976 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.457 10.798 10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.896 11.397 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.071 12.072 10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.495 15.192 9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.978 14.232 9.950 1.00 0.00 H new ATOM 716 N PHE A 49 -0.939 11.996 13.055 1.00 0.00 N ATOM 717 CA PHE A 49 -1.167 12.548 14.385 1.00 0.00 C ATOM 718 C PHE A 49 -0.613 13.966 14.487 1.00 0.00 C ATOM 719 O PHE A 49 -1.151 14.804 15.212 1.00 0.00 O ATOM 720 CB PHE A 49 -0.520 11.658 15.448 1.00 0.00 C ATOM 721 CG PHE A 49 -1.163 10.306 15.570 1.00 0.00 C ATOM 722 CD1 PHE A 49 -2.459 10.182 16.045 1.00 0.00 C ATOM 723 CD2 PHE A 49 -0.472 9.160 15.211 1.00 0.00 C ATOM 724 CE1 PHE A 49 -3.053 8.939 16.159 1.00 0.00 C ATOM 725 CE2 PHE A 49 -1.061 7.915 15.323 1.00 0.00 C ATOM 726 CZ PHE A 49 -2.354 7.805 15.797 1.00 0.00 C ATOM 0 H PHE A 49 0.020 12.086 12.720 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.243 12.583 14.557 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.536 11.529 15.209 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.569 12.163 16.413 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.011 11.066 16.329 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.539 9.241 14.839 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.063 8.855 16.531 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.511 7.029 15.040 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.817 6.833 15.884 1.00 0.00 H new ATOM 736 N SER A 50 0.466 14.228 13.757 1.00 0.00 N ATOM 737 CA SER A 50 1.097 15.543 13.768 1.00 0.00 C ATOM 738 C SER A 50 0.046 16.649 13.795 1.00 0.00 C ATOM 739 O SER A 50 -1.104 16.436 13.412 1.00 0.00 O ATOM 740 CB SER A 50 1.998 15.710 12.543 1.00 0.00 C ATOM 741 OG SER A 50 1.253 15.596 11.343 1.00 0.00 O ATOM 0 H SER A 50 0.922 13.547 13.150 1.00 0.00 H new ATOM 0 HA SER A 50 1.704 15.620 14.670 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.489 16.682 12.579 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.784 14.955 12.560 1.00 0.00 H new ATOM 0 HG SER A 50 1.747 16.019 10.610 1.00 0.00 H new ATOM 747 N GLU A 51 0.451 17.830 14.251 1.00 0.00 N ATOM 748 CA GLU A 51 -0.456 18.969 14.330 1.00 0.00 C ATOM 749 C GLU A 51 -0.989 19.336 12.948 1.00 0.00 C ATOM 750 O GLU A 51 -2.038 19.967 12.822 1.00 0.00 O ATOM 751 CB GLU A 51 0.256 20.174 14.950 1.00 0.00 C ATOM 752 CG GLU A 51 0.701 19.945 16.385 1.00 0.00 C ATOM 753 CD GLU A 51 1.010 21.239 17.112 1.00 0.00 C ATOM 754 OE1 GLU A 51 1.701 22.099 16.525 1.00 0.00 O ATOM 755 OE2 GLU A 51 0.563 21.392 18.268 1.00 0.00 O ATOM 0 H GLU A 51 1.400 18.023 14.571 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.298 18.688 14.963 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.127 20.423 14.344 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.411 21.036 14.918 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.080 19.408 16.923 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.586 19.309 16.390 1.00 0.00 H new ATOM 762 N GLY A 52 -0.258 18.936 11.912 1.00 0.00 N ATOM 763 CA GLY A 52 -0.672 19.231 10.553 1.00 0.00 C ATOM 764 C GLY A 52 -1.558 18.149 9.968 1.00 0.00 C ATOM 765 O GLY A 52 -1.230 16.964 10.038 1.00 0.00 O ATOM 0 H GLY A 52 0.614 18.413 11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.206 20.181 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.211 19.351 9.926 1.00 0.00 H new ATOM 769 N ASP A 53 -2.683 18.555 9.392 1.00 0.00 N ATOM 770 CA ASP A 53 -3.620 17.611 8.793 1.00 0.00 C ATOM 771 C ASP A 53 -3.178 17.226 7.384 1.00 0.00 C ATOM 772 O ASP A 53 -2.422 17.953 6.740 1.00 0.00 O ATOM 773 CB ASP A 53 -5.026 18.210 8.753 1.00 0.00 C ATOM 774 CG ASP A 53 -5.333 19.050 9.978 1.00 0.00 C ATOM 775 OD1 ASP A 53 -4.505 19.919 10.324 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.400 18.839 10.590 1.00 0.00 O ATOM 0 H ASP A 53 -2.969 19.532 9.327 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.634 16.712 9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.130 18.825 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.758 17.406 8.674 1.00 0.00 H new ATOM 781 N VAL A 54 -3.653 16.078 6.913 1.00 0.00 N ATOM 782 CA VAL A 54 -3.307 15.596 5.581 1.00 0.00 C ATOM 783 C VAL A 54 -4.551 15.440 4.713 1.00 0.00 C ATOM 784 O VAL A 54 -5.562 14.890 5.150 1.00 0.00 O ATOM 785 CB VAL A 54 -2.567 14.247 5.647 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.346 13.690 4.249 1.00 0.00 C ATOM 787 CG2 VAL A 54 -1.245 14.400 6.384 1.00 0.00 C ATOM 0 H VAL A 54 -4.279 15.464 7.434 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.648 16.341 5.136 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.185 13.540 6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.822 12.737 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.309 13.541 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.749 14.392 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.736 13.437 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.618 15.122 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.433 14.751 7.399 1.00 0.00 H new ATOM 797 N THR A 55 -4.469 15.927 3.479 1.00 0.00 N ATOM 798 CA THR A 55 -5.588 15.842 2.548 1.00 0.00 C ATOM 799 C THR A 55 -5.127 15.360 1.178 1.00 0.00 C ATOM 800 O THR A 55 -3.951 15.056 0.978 1.00 0.00 O ATOM 801 CB THR A 55 -6.292 17.203 2.391 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.364 18.182 1.909 1.00 0.00 O ATOM 803 CG2 THR A 55 -6.880 17.664 3.716 1.00 0.00 C ATOM 0 H THR A 55 -3.639 16.384 3.101 1.00 0.00 H new ATOM 0 HA THR A 55 -6.293 15.123 2.965 1.00 0.00 H new ATOM 0 HB THR A 55 -7.103 17.087 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.820 19.044 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.372 18.627 3.580 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.607 16.931 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.083 17.764 4.453 1.00 0.00 H new ATOM 811 N HIS A 56 -6.062 15.292 0.235 1.00 0.00 N ATOM 812 CA HIS A 56 -5.751 14.847 -1.119 1.00 0.00 C ATOM 813 C HIS A 56 -4.677 13.763 -1.102 1.00 0.00 C ATOM 814 O HIS A 56 -3.791 13.739 -1.956 1.00 0.00 O ATOM 815 CB HIS A 56 -5.286 16.027 -1.973 1.00 0.00 C ATOM 816 CG HIS A 56 -6.309 17.114 -2.100 1.00 0.00 C ATOM 817 ND1 HIS A 56 -6.002 18.454 -1.994 1.00 0.00 N ATOM 818 CD2 HIS A 56 -7.642 17.052 -2.327 1.00 0.00 C ATOM 819 CE1 HIS A 56 -7.101 19.169 -2.149 1.00 0.00 C ATOM 820 NE2 HIS A 56 -8.111 18.343 -2.353 1.00 0.00 N ATOM 0 H HIS A 56 -7.040 15.539 0.384 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.659 14.428 -1.554 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.377 16.444 -1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.027 15.665 -2.968 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.228 16.155 -2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.163 20.247 -2.115 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.081 18.619 -2.505 1.00 0.00 H new ATOM 828 N PHE A 57 -4.762 12.869 -0.123 1.00 0.00 N ATOM 829 CA PHE A 57 -3.796 11.783 0.007 1.00 0.00 C ATOM 830 C PHE A 57 -4.027 10.719 -1.062 1.00 0.00 C ATOM 831 O PHE A 57 -5.138 10.212 -1.218 1.00 0.00 O ATOM 832 CB PHE A 57 -3.890 11.153 1.398 1.00 0.00 C ATOM 833 CG PHE A 57 -3.189 9.828 1.505 1.00 0.00 C ATOM 834 CD1 PHE A 57 -1.970 9.622 0.880 1.00 0.00 C ATOM 835 CD2 PHE A 57 -3.751 8.789 2.229 1.00 0.00 C ATOM 836 CE1 PHE A 57 -1.323 8.405 0.976 1.00 0.00 C ATOM 837 CE2 PHE A 57 -3.108 7.570 2.328 1.00 0.00 C ATOM 838 CZ PHE A 57 -1.893 7.377 1.700 1.00 0.00 C ATOM 0 H PHE A 57 -5.489 12.874 0.592 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.798 12.199 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.464 11.840 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.940 11.021 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.520 10.422 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.701 8.933 2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.372 8.258 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.555 6.768 2.896 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.390 6.424 1.775 1.00 0.00 H new ATOM 848 N ILE A 58 -2.970 10.387 -1.795 1.00 0.00 N ATOM 849 CA ILE A 58 -3.056 9.384 -2.849 1.00 0.00 C ATOM 850 C ILE A 58 -1.866 8.432 -2.801 1.00 0.00 C ATOM 851 O ILE A 58 -0.713 8.862 -2.825 1.00 0.00 O ATOM 852 CB ILE A 58 -3.121 10.036 -4.243 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.440 10.793 -4.415 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.965 8.982 -5.329 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.378 11.883 -5.462 1.00 0.00 C ATOM 0 H ILE A 58 -2.044 10.798 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.974 8.823 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.300 10.747 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.224 10.085 -4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.724 11.234 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.013 9.459 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.003 8.482 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.767 8.249 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.347 12.377 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.617 12.612 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.125 11.446 -6.428 1.00 0.00 H new ATOM 867 N CYS A 59 -2.154 7.137 -2.734 1.00 0.00 N ATOM 868 CA CYS A 59 -1.108 6.122 -2.684 1.00 0.00 C ATOM 869 C CYS A 59 -1.076 5.309 -3.973 1.00 0.00 C ATOM 870 O CYS A 59 -2.036 4.612 -4.301 1.00 0.00 O ATOM 871 CB CYS A 59 -1.325 5.195 -1.487 1.00 0.00 C ATOM 872 SG CYS A 59 0.039 4.047 -1.186 1.00 0.00 S ATOM 0 H CYS A 59 -3.104 6.765 -2.713 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.150 6.629 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.479 5.802 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.239 4.623 -1.645 1.00 0.00 H new ATOM 0 HG CYS A 59 0.247 3.946 0.093 1.00 0.00 H new ATOM 878 N GLN A 60 0.032 5.405 -4.700 1.00 0.00 N ATOM 879 CA GLN A 60 0.186 4.679 -5.956 1.00 0.00 C ATOM 880 C GLN A 60 1.124 3.488 -5.784 1.00 0.00 C ATOM 881 O GLN A 60 1.846 3.393 -4.793 1.00 0.00 O ATOM 882 CB GLN A 60 0.720 5.611 -7.045 1.00 0.00 C ATOM 883 CG GLN A 60 -0.039 6.923 -7.149 1.00 0.00 C ATOM 884 CD GLN A 60 0.545 8.007 -6.264 1.00 0.00 C ATOM 885 OE1 GLN A 60 0.117 8.041 -5.008 1.00 0.00 O flip ATOM 886 NE2 GLN A 60 1.372 8.806 -6.705 1.00 0.00 N flip ATOM 0 H GLN A 60 0.836 5.977 -4.442 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.794 4.306 -6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.771 5.823 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.674 5.097 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.031 7.262 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.081 6.758 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.673 8.744 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.756 9.530 -6.098 1.00 0.00 H new ATOM 895 N ALA A 61 1.106 2.583 -6.757 1.00 0.00 N ATOM 896 CA ALA A 61 1.955 1.399 -6.714 1.00 0.00 C ATOM 897 C ALA A 61 2.267 0.896 -8.120 1.00 0.00 C ATOM 898 O ALA A 61 1.489 1.103 -9.050 1.00 0.00 O ATOM 899 CB ALA A 61 1.292 0.303 -5.894 1.00 0.00 C ATOM 0 H ALA A 61 0.513 2.647 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 61 2.896 1.674 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.938 -0.575 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.127 0.659 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.336 0.038 -6.346 1.00 0.00 H new ATOM 905 N ALA A 62 3.411 0.236 -8.266 1.00 0.00 N ATOM 906 CA ALA A 62 3.825 -0.298 -9.558 1.00 0.00 C ATOM 907 C ALA A 62 4.351 -1.722 -9.421 1.00 0.00 C ATOM 908 O ALA A 62 5.162 -2.013 -8.542 1.00 0.00 O ATOM 909 CB ALA A 62 4.882 0.599 -10.185 1.00 0.00 C ATOM 0 H ALA A 62 4.068 0.058 -7.506 1.00 0.00 H new ATOM 0 HA ALA A 62 2.952 -0.323 -10.210 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.182 0.189 -11.149 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.472 1.599 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.750 0.653 -9.528 1.00 0.00 H new ATOM 915 N VAL A 63 3.884 -2.608 -10.296 1.00 0.00 N ATOM 916 CA VAL A 63 4.308 -4.002 -10.272 1.00 0.00 C ATOM 917 C VAL A 63 4.736 -4.470 -11.658 1.00 0.00 C ATOM 918 O VAL A 63 4.239 -3.998 -12.681 1.00 0.00 O ATOM 919 CB VAL A 63 3.185 -4.922 -9.756 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.582 -4.363 -8.476 1.00 0.00 C ATOM 921 CG2 VAL A 63 2.115 -5.105 -10.822 1.00 0.00 C ATOM 0 H VAL A 63 3.212 -2.384 -11.030 1.00 0.00 H new ATOM 0 HA VAL A 63 5.158 -4.062 -9.592 1.00 0.00 H new ATOM 0 HB VAL A 63 3.614 -5.899 -9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.791 -5.026 -8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.356 -4.287 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.167 -3.374 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.330 -5.758 -10.441 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.688 -4.136 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.560 -5.553 -11.711 1.00 0.00 H new ATOM 931 N PRO A 64 5.680 -5.422 -11.696 1.00 0.00 N ATOM 932 CA PRO A 64 6.196 -5.976 -12.952 1.00 0.00 C ATOM 933 C PRO A 64 5.163 -6.834 -13.674 1.00 0.00 C ATOM 934 O PRO A 64 4.230 -7.350 -13.059 1.00 0.00 O ATOM 935 CB PRO A 64 7.382 -6.833 -12.501 1.00 0.00 C ATOM 936 CG PRO A 64 7.070 -7.199 -11.091 1.00 0.00 C ATOM 937 CD PRO A 64 6.316 -6.031 -10.516 1.00 0.00 C ATOM 0 HA PRO A 64 6.463 -5.194 -13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.490 -7.720 -13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.319 -6.280 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.472 -8.109 -11.047 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.983 -7.390 -10.527 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.577 -6.352 -9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.983 -5.331 -10.012 1.00 0.00 H new ATOM 945 N LYS A 65 5.336 -6.983 -14.983 1.00 0.00 N ATOM 946 CA LYS A 65 4.420 -7.781 -15.790 1.00 0.00 C ATOM 947 C LYS A 65 4.027 -9.062 -15.062 1.00 0.00 C ATOM 948 O LYS A 65 2.844 -9.382 -14.945 1.00 0.00 O ATOM 949 CB LYS A 65 5.061 -8.124 -17.137 1.00 0.00 C ATOM 950 CG LYS A 65 5.217 -6.927 -18.059 1.00 0.00 C ATOM 951 CD LYS A 65 3.939 -6.649 -18.832 1.00 0.00 C ATOM 952 CE LYS A 65 3.782 -7.598 -20.010 1.00 0.00 C ATOM 953 NZ LYS A 65 2.352 -7.790 -20.381 1.00 0.00 N ATOM 0 H LYS A 65 6.102 -6.562 -15.508 1.00 0.00 H new ATOM 0 HA LYS A 65 3.520 -7.191 -15.962 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.041 -8.567 -16.961 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.455 -8.880 -17.636 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.488 -6.048 -17.474 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.034 -7.109 -18.758 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.081 -6.748 -18.167 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.946 -5.620 -19.191 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.330 -7.207 -20.867 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.225 -8.562 -19.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.287 -8.443 -21.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.834 -8.187 -19.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.935 -6.874 -20.643 1.00 0.00 H new ATOM 967 N SER A 66 5.025 -9.789 -14.572 1.00 0.00 N ATOM 968 CA SER A 66 4.783 -11.036 -13.856 1.00 0.00 C ATOM 969 C SER A 66 3.540 -10.927 -12.978 1.00 0.00 C ATOM 970 O SER A 66 2.656 -11.783 -13.023 1.00 0.00 O ATOM 971 CB SER A 66 5.996 -11.401 -12.998 1.00 0.00 C ATOM 972 OG SER A 66 7.185 -11.403 -13.771 1.00 0.00 O ATOM 0 H SER A 66 6.009 -9.536 -14.658 1.00 0.00 H new ATOM 0 HA SER A 66 4.618 -11.822 -14.593 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.093 -10.690 -12.178 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.847 -12.384 -12.551 1.00 0.00 H new ATOM 0 HG SER A 66 7.946 -11.637 -13.200 1.00 0.00 H new ATOM 978 N LEU A 67 3.479 -9.866 -12.180 1.00 0.00 N ATOM 979 CA LEU A 67 2.345 -9.642 -11.291 1.00 0.00 C ATOM 980 C LEU A 67 1.404 -8.587 -11.863 1.00 0.00 C ATOM 981 O LEU A 67 1.743 -7.897 -12.824 1.00 0.00 O ATOM 982 CB LEU A 67 2.834 -9.210 -9.907 1.00 0.00 C ATOM 983 CG LEU A 67 4.024 -9.987 -9.343 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.660 -9.225 -8.190 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.592 -11.375 -8.895 1.00 0.00 C ATOM 0 H LEU A 67 4.202 -9.148 -12.131 1.00 0.00 H new ATOM 0 HA LEU A 67 1.796 -10.579 -11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.103 -8.155 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.003 -9.298 -9.207 1.00 0.00 H new ATOM 0 HG LEU A 67 4.768 -10.098 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.505 -9.793 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.007 -8.254 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.924 -9.082 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.452 -11.913 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.829 -11.287 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.185 -11.921 -9.746 1.00 0.00 H new ATOM 997 N GLN A 68 0.224 -8.466 -11.264 1.00 0.00 N ATOM 998 CA GLN A 68 -0.764 -7.493 -11.714 1.00 0.00 C ATOM 999 C GLN A 68 -1.105 -6.508 -10.600 1.00 0.00 C ATOM 1000 O GLN A 68 -0.882 -6.787 -9.421 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.033 -8.204 -12.187 1.00 0.00 C ATOM 1002 CG GLN A 68 -2.785 -7.450 -13.272 1.00 0.00 C ATOM 1003 CD GLN A 68 -4.224 -7.905 -13.408 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -4.517 -8.877 -14.105 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -5.133 -7.203 -12.742 1.00 0.00 N ATOM 0 H GLN A 68 -0.071 -9.029 -10.466 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.335 -6.937 -12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.767 -9.193 -12.561 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.695 -8.353 -11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.765 -6.383 -13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.273 -7.586 -14.225 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.846 -6.404 -12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.118 -7.462 -12.796 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.645 -5.356 -10.981 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.016 -4.328 -10.014 1.00 0.00 C ATOM 1016 C LEU A 69 -3.380 -3.733 -10.349 1.00 0.00 C ATOM 1017 O LEU A 69 -3.665 -3.425 -11.506 1.00 0.00 O ATOM 1018 CB LEU A 69 -0.958 -3.224 -9.982 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.115 -2.176 -8.879 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.993 -2.822 -7.508 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -0.082 -1.071 -9.043 1.00 0.00 C ATOM 0 H LEU A 69 -1.836 -5.110 -11.952 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.075 -4.793 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.022 -3.690 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.965 -2.713 -10.945 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.108 -1.734 -8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.107 -2.061 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.770 -3.577 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.014 -3.291 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.208 -0.334 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.919 -1.498 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.216 -0.588 -10.011 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.216 -3.572 -9.329 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.549 -3.011 -9.516 1.00 0.00 C ATOM 1035 C GLN A 70 -5.889 -2.030 -8.399 1.00 0.00 C ATOM 1036 O GLN A 70 -5.962 -2.406 -7.228 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.593 -4.128 -9.563 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.011 -3.627 -9.788 1.00 0.00 C ATOM 1039 CD GLN A 70 -8.225 -3.091 -11.190 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -8.362 -1.884 -11.392 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -8.255 -3.988 -12.169 1.00 0.00 N ATOM 0 H GLN A 70 -3.994 -3.822 -8.365 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.559 -2.472 -10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.332 -4.825 -10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.558 -4.686 -8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.713 -4.440 -9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.234 -2.842 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.137 -4.979 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.396 -3.686 -13.133 1.00 0.00 H new ATOM 1050 N LEU A 71 -6.095 -0.770 -8.768 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.426 0.267 -7.797 1.00 0.00 C ATOM 1052 C LEU A 71 -7.905 0.212 -7.425 1.00 0.00 C ATOM 1053 O LEU A 71 -8.770 0.544 -8.234 1.00 0.00 O ATOM 1054 CB LEU A 71 -6.081 1.648 -8.357 1.00 0.00 C ATOM 1055 CG LEU A 71 -6.010 2.787 -7.340 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -5.036 3.858 -7.805 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -7.391 3.383 -7.109 1.00 0.00 C ATOM 0 H LEU A 71 -6.039 -0.442 -9.732 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.836 0.089 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.119 1.582 -8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.823 1.908 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.648 2.382 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.999 4.661 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.043 3.423 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.367 4.260 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.321 4.192 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.781 3.772 -8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.061 2.612 -6.730 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.185 -0.207 -6.195 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.559 -0.303 -5.716 1.00 0.00 C ATOM 1071 C GLN A 72 -10.038 1.035 -5.164 1.00 0.00 C ATOM 1072 O GLN A 72 -9.240 1.846 -4.696 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.671 -1.382 -4.638 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.049 -1.465 -4.001 1.00 0.00 C ATOM 1075 CD GLN A 72 -12.096 -2.021 -4.945 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -13.149 -1.415 -5.149 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -11.813 -3.180 -5.528 1.00 0.00 N ATOM 0 H GLN A 72 -7.480 -0.485 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.193 -0.575 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.424 -2.349 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.932 -1.186 -3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.997 -2.093 -3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.353 -0.471 -3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.928 -3.648 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.480 -3.602 -6.174 1.00 0.00 H new ATOM 1086 N ALA A 73 -11.347 1.260 -5.222 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.932 2.499 -4.727 1.00 0.00 C ATOM 1088 C ALA A 73 -11.730 2.639 -3.222 1.00 0.00 C ATOM 1089 O ALA A 73 -12.308 1.902 -2.422 1.00 0.00 O ATOM 1090 CB ALA A 73 -13.413 2.557 -5.070 1.00 0.00 C ATOM 0 H ALA A 73 -12.022 0.599 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.424 3.331 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.837 3.488 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.538 2.512 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.926 1.713 -4.610 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.889 3.605 -2.824 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.591 3.864 -1.412 1.00 0.00 C ATOM 1098 C PRO A 74 -11.782 4.457 -0.667 1.00 0.00 C ATOM 1099 O PRO A 74 -12.843 4.680 -1.251 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.441 4.872 -1.471 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.602 5.554 -2.786 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.166 4.521 -3.722 1.00 0.00 C ATOM 0 HA PRO A 74 -10.346 2.949 -0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.495 5.583 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.474 4.374 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.270 6.411 -2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.646 5.930 -3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.832 4.968 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.379 4.006 -4.273 1.00 0.00 H new ATOM 1110 N SER A 75 -11.600 4.711 0.624 1.00 0.00 N ATOM 1111 CA SER A 75 -12.661 5.276 1.450 1.00 0.00 C ATOM 1112 C SER A 75 -12.698 6.796 1.322 1.00 0.00 C ATOM 1113 O SER A 75 -13.762 7.409 1.379 1.00 0.00 O ATOM 1114 CB SER A 75 -12.462 4.881 2.914 1.00 0.00 C ATOM 1115 OG SER A 75 -13.648 5.083 3.663 1.00 0.00 O ATOM 0 H SER A 75 -10.727 4.535 1.122 1.00 0.00 H new ATOM 0 HA SER A 75 -13.612 4.876 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.164 3.834 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.651 5.468 3.345 1.00 0.00 H new ATOM 0 HG SER A 75 -13.495 4.822 4.595 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.525 7.398 1.149 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.443 8.841 1.016 1.00 0.00 C ATOM 1123 C GLY A 76 -10.026 9.322 0.776 1.00 0.00 C ATOM 1124 O GLY A 76 -9.125 8.521 0.530 1.00 0.00 O ATOM 0 H GLY A 76 -10.630 6.912 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.077 9.163 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.834 9.309 1.920 1.00 0.00 H new ATOM 1128 N ASN A 77 -9.829 10.634 0.845 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.511 11.222 0.630 1.00 0.00 C ATOM 1130 C ASN A 77 -8.157 12.187 1.757 1.00 0.00 C ATOM 1131 O ASN A 77 -7.106 12.830 1.732 1.00 0.00 O ATOM 1132 CB ASN A 77 -8.467 11.950 -0.714 1.00 0.00 C ATOM 1133 CG ASN A 77 -8.845 11.048 -1.873 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -9.349 9.943 -1.675 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -8.601 11.517 -3.091 1.00 0.00 N ATOM 0 H ASN A 77 -10.565 11.311 1.048 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.777 10.416 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.145 12.803 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.465 12.346 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.833 10.955 -3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.182 12.439 -3.208 1.00 0.00 H new ATOM 1142 N THR A 78 -9.040 12.285 2.746 1.00 0.00 N ATOM 1143 CA THR A 78 -8.821 13.172 3.881 1.00 0.00 C ATOM 1144 C THR A 78 -8.397 12.388 5.118 1.00 0.00 C ATOM 1145 O THR A 78 -8.913 11.303 5.384 1.00 0.00 O ATOM 1146 CB THR A 78 -10.087 13.984 4.212 1.00 0.00 C ATOM 1147 OG1 THR A 78 -10.324 14.960 3.190 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.950 14.677 5.559 1.00 0.00 C ATOM 0 H THR A 78 -9.914 11.760 2.783 1.00 0.00 H new ATOM 0 HA THR A 78 -8.022 13.857 3.597 1.00 0.00 H new ATOM 0 HB THR A 78 -10.931 13.295 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.132 15.471 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.857 15.244 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.799 13.930 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.096 15.354 5.535 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.454 12.945 5.871 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.962 12.298 7.082 1.00 0.00 C ATOM 1158 C VAL A 79 -6.858 13.293 8.233 1.00 0.00 C ATOM 1159 O VAL A 79 -6.122 14.278 8.170 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.583 11.651 6.851 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.071 11.014 8.134 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.658 10.626 5.730 1.00 0.00 C ATOM 0 H VAL A 79 -7.015 13.842 5.664 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.681 11.521 7.341 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.880 12.429 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.096 10.562 7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.979 11.777 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.771 10.246 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.675 10.179 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.374 9.848 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.978 11.116 4.810 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.611 13.031 9.311 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.620 13.890 10.498 1.00 0.00 C ATOM 1174 C PRO A 80 -6.310 13.820 11.275 1.00 0.00 C ATOM 1175 O PRO A 80 -5.835 12.736 11.612 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.770 13.325 11.336 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.885 11.902 10.911 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.511 11.874 9.455 1.00 0.00 C ATOM 0 HA PRO A 80 -7.740 14.942 10.239 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.559 13.404 12.402 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.697 13.869 11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.222 11.265 11.497 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.899 11.531 11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.014 10.942 9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.387 11.964 8.813 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.732 14.983 11.557 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.477 15.053 12.296 1.00 0.00 C ATOM 1188 C ALA A 81 -4.724 15.014 13.800 1.00 0.00 C ATOM 1189 O ALA A 81 -3.821 15.279 14.594 1.00 0.00 O ATOM 1190 CB ALA A 81 -3.711 16.312 11.918 1.00 0.00 C ATOM 0 H ALA A 81 -6.113 15.889 11.285 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.878 14.183 12.029 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.776 16.351 12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.494 16.299 10.850 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.313 17.189 12.156 1.00 0.00 H new ATOM 1196 N ARG A 82 -5.952 14.683 14.185 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.318 14.611 15.595 1.00 0.00 C ATOM 1198 C ARG A 82 -6.612 13.171 16.008 1.00 0.00 C ATOM 1199 O ARG A 82 -7.541 12.911 16.771 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.537 15.492 15.873 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.322 16.956 15.530 1.00 0.00 C ATOM 1202 CD ARG A 82 -7.692 17.251 14.085 1.00 0.00 C ATOM 1203 NE ARG A 82 -9.138 17.343 13.899 1.00 0.00 N ATOM 1204 CZ ARG A 82 -9.885 18.313 14.416 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -9.326 19.268 15.146 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -11.194 18.328 14.201 1.00 0.00 N ATOM 0 H ARG A 82 -6.711 14.460 13.541 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.475 14.974 16.182 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.385 15.115 15.302 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.801 15.410 16.927 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.922 17.578 16.194 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.279 17.221 15.701 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.226 18.186 13.775 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.293 16.467 13.441 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.599 16.624 13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.320 19.260 15.312 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.902 20.011 15.541 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.627 17.595 13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.767 19.072 14.598 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.813 12.239 15.496 1.00 0.00 N ATOM 1221 CA GLY A 83 -6.004 10.838 15.822 1.00 0.00 C ATOM 1222 C GLY A 83 -7.385 10.338 15.445 1.00 0.00 C ATOM 1223 O GLY A 83 -8.005 9.584 16.193 1.00 0.00 O ATOM 0 H GLY A 83 -5.037 12.430 14.862 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.252 10.242 15.305 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.847 10.692 16.891 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.869 10.762 14.281 1.00 0.00 N ATOM 1228 CA GLY A 84 -9.182 10.344 13.828 1.00 0.00 C ATOM 1229 C GLY A 84 -9.184 8.930 13.281 1.00 0.00 C ATOM 1230 O GLY A 84 -8.987 7.968 14.025 1.00 0.00 O ATOM 0 H GLY A 84 -7.375 11.387 13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.887 10.411 14.657 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.532 11.029 13.056 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.408 8.802 11.978 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.436 7.495 11.331 1.00 0.00 C ATOM 1236 C LEU A 85 -8.596 7.499 10.058 1.00 0.00 C ATOM 1237 O LEU A 85 -8.818 8.290 9.141 1.00 0.00 O ATOM 1238 CB LEU A 85 -10.877 7.096 11.005 1.00 0.00 C ATOM 1239 CG LEU A 85 -11.813 6.923 12.201 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.378 8.267 12.636 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -12.937 5.955 11.863 1.00 0.00 C ATOM 0 H LEU A 85 -9.573 9.588 11.349 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.011 6.766 12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.301 7.852 10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.856 6.160 10.447 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.239 6.508 13.029 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.042 8.124 13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.561 8.930 12.920 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.936 8.711 11.812 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.593 5.844 12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.509 6.342 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.515 4.985 11.601 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.610 6.592 9.997 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.719 6.469 8.839 1.00 0.00 C ATOM 1255 C PRO A 86 -7.435 5.916 7.612 1.00 0.00 C ATOM 1256 O PRO A 86 -8.550 5.402 7.712 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.647 5.487 9.320 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.316 4.686 10.383 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.289 5.617 11.052 1.00 0.00 C ATOM 0 HA PRO A 86 -6.323 7.435 8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.298 4.852 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.775 6.012 9.710 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.830 3.824 9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.589 4.302 11.098 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.179 5.089 11.395 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.848 6.100 11.924 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.789 6.025 6.456 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.365 5.535 5.210 1.00 0.00 C ATOM 1269 C ILE A 87 -6.813 4.159 4.854 1.00 0.00 C ATOM 1270 O ILE A 87 -5.748 3.762 5.328 1.00 0.00 O ATOM 1271 CB ILE A 87 -7.092 6.503 4.044 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.811 7.833 4.277 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.530 5.882 2.726 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -7.339 8.943 3.364 1.00 0.00 C ATOM 0 H ILE A 87 -5.866 6.448 6.356 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.441 5.463 5.366 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.020 6.695 3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.882 7.688 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.665 8.139 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.331 6.578 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.977 4.958 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.597 5.664 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.892 9.856 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.274 9.116 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.510 8.658 2.326 1.00 0.00 H new ATOM 1286 N THR A 88 -7.544 3.433 4.013 1.00 0.00 N ATOM 1287 CA THR A 88 -7.128 2.102 3.592 1.00 0.00 C ATOM 1288 C THR A 88 -7.480 1.853 2.130 1.00 0.00 C ATOM 1289 O THR A 88 -8.585 2.164 1.687 1.00 0.00 O ATOM 1290 CB THR A 88 -7.782 1.009 4.459 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.205 1.163 4.451 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.267 1.073 5.889 1.00 0.00 C ATOM 0 H THR A 88 -8.427 3.746 3.610 1.00 0.00 H new ATOM 0 HA THR A 88 -6.046 2.055 3.716 1.00 0.00 H new ATOM 0 HB THR A 88 -7.521 0.038 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.613 0.463 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.743 0.292 6.482 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.187 0.925 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.502 2.048 6.317 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.533 1.290 1.385 1.00 0.00 N ATOM 1301 CA GLN A 89 -6.745 1.000 -0.028 1.00 0.00 C ATOM 1302 C GLN A 89 -6.469 -0.470 -0.329 1.00 0.00 C ATOM 1303 O GLN A 89 -5.499 -1.045 0.167 1.00 0.00 O ATOM 1304 CB GLN A 89 -5.848 1.887 -0.892 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.174 1.820 -2.375 1.00 0.00 C ATOM 1306 CD GLN A 89 -5.769 3.078 -3.119 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -4.658 3.582 -2.951 1.00 0.00 O ATOM 1308 NE2 GLN A 89 -6.670 3.592 -3.948 1.00 0.00 N ATOM 0 H GLN A 89 -5.613 1.026 1.737 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.788 1.211 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.939 2.920 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.809 1.593 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.667 0.962 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.244 1.657 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.579 3.141 -4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.453 4.437 -4.476 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.327 -1.073 -1.143 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.176 -2.477 -1.511 1.00 0.00 C ATOM 1319 C LEU A 90 -6.506 -2.614 -2.874 1.00 0.00 C ATOM 1320 O LEU A 90 -6.721 -1.795 -3.768 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.540 -3.169 -1.529 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.606 -4.504 -2.272 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -7.895 -5.591 -1.480 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.052 -4.895 -2.539 1.00 0.00 C ATOM 0 H LEU A 90 -8.135 -0.612 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.542 -2.956 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.855 -3.334 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.264 -2.489 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.099 -4.390 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.952 -6.534 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.850 -5.315 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.373 -5.704 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.080 -5.847 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.584 -4.991 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.530 -4.128 -3.148 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.694 -3.655 -3.027 1.00 0.00 N ATOM 1337 CA PHE A 91 -4.993 -3.900 -4.282 1.00 0.00 C ATOM 1338 C PHE A 91 -4.989 -5.388 -4.620 1.00 0.00 C ATOM 1339 O PHE A 91 -4.561 -6.217 -3.818 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.556 -3.381 -4.198 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.466 -1.919 -3.864 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.491 -1.493 -2.546 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -3.355 -0.971 -4.869 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.409 -0.149 -2.236 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -3.271 0.375 -4.565 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.298 0.786 -3.247 1.00 0.00 C ATOM 0 H PHE A 91 -5.505 -4.342 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.519 -3.366 -5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.015 -3.952 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.057 -3.559 -5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.576 -2.220 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.334 -1.287 -5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.432 0.170 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.184 1.104 -5.357 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.232 1.837 -3.007 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.470 -5.718 -5.815 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.524 -7.105 -6.260 1.00 0.00 C ATOM 1358 C ARG A 92 -4.320 -7.443 -7.134 1.00 0.00 C ATOM 1359 O ARG A 92 -4.204 -6.958 -8.261 1.00 0.00 O ATOM 1360 CB ARG A 92 -6.818 -7.365 -7.032 1.00 0.00 C ATOM 1361 CG ARG A 92 -8.056 -7.405 -6.151 1.00 0.00 C ATOM 1362 CD ARG A 92 -9.284 -7.840 -6.936 1.00 0.00 C ATOM 1363 NE ARG A 92 -9.388 -9.294 -7.029 1.00 0.00 N ATOM 1364 CZ ARG A 92 -10.194 -9.920 -7.879 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -10.961 -9.223 -8.706 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -10.232 -11.246 -7.905 1.00 0.00 N ATOM 0 H ARG A 92 -5.828 -5.044 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.501 -7.745 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.944 -6.588 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.730 -8.313 -7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.891 -8.092 -5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.229 -6.419 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.179 -7.442 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.243 -7.415 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.810 -9.859 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.933 -8.204 -8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.579 -9.706 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.642 -11.786 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.851 -11.726 -8.558 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.428 -8.275 -6.609 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.234 -8.677 -7.342 1.00 0.00 C ATOM 1382 C ILE A 93 -2.258 -10.169 -7.656 1.00 0.00 C ATOM 1383 O ILE A 93 -2.592 -10.990 -6.800 1.00 0.00 O ATOM 1384 CB ILE A 93 -0.953 -8.351 -6.553 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.761 -6.837 -6.453 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.255 -9.001 -7.212 1.00 0.00 C ATOM 1387 CD1 ILE A 93 0.049 -6.408 -5.249 1.00 0.00 C ATOM 0 H ILE A 93 -3.509 -8.684 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.231 -8.112 -8.274 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.053 -8.753 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.268 -6.481 -7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.739 -6.357 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.153 -8.761 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.118 -10.082 -7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.360 -8.626 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.145 -5.322 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.453 -6.733 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.040 -6.859 -5.298 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.901 -10.515 -8.888 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.880 -11.909 -9.316 1.00 0.00 C ATOM 1401 C LEU A 94 -0.461 -12.468 -9.279 1.00 0.00 C ATOM 1402 O LEU A 94 0.449 -11.921 -9.900 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.455 -12.039 -10.727 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.967 -12.247 -10.819 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.356 -13.596 -10.235 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.704 -11.123 -10.108 1.00 0.00 C ATOM 0 H LEU A 94 -1.622 -9.849 -9.608 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.496 -12.485 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.197 -11.140 -11.287 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.962 -12.875 -11.223 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.253 -12.233 -11.871 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.436 -13.727 -10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.855 -14.390 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.056 -13.639 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.779 -11.288 -10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.413 -11.104 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.449 -10.170 -10.572 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.281 -13.564 -8.548 1.00 0.00 N ATOM 1419 CA ASN A 95 1.027 -14.199 -8.432 1.00 0.00 C ATOM 1420 C ASN A 95 0.956 -15.669 -8.834 1.00 0.00 C ATOM 1421 O ASN A 95 1.495 -16.548 -8.162 1.00 0.00 O ATOM 1422 CB ASN A 95 1.552 -14.074 -7.000 1.00 0.00 C ATOM 1423 CG ASN A 95 3.067 -14.061 -6.939 1.00 0.00 C ATOM 1424 OD1 ASN A 95 3.697 -14.961 -7.684 1.00 0.00 O flip ATOM 1425 ND2 ASN A 95 3.663 -13.250 -6.230 1.00 0.00 N flip ATOM 0 H ASN A 95 -1.024 -14.030 -8.028 1.00 0.00 H new ATOM 0 HA ASN A 95 1.712 -13.689 -9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.165 -13.158 -6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.174 -14.904 -6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.137 -12.576 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.683 -13.252 -6.199 1.00 0.00 H new ATOM 1432 N PRO A 96 0.275 -15.943 -9.956 1.00 0.00 N ATOM 1433 CA PRO A 96 0.118 -17.305 -10.474 1.00 0.00 C ATOM 1434 C PRO A 96 1.427 -17.876 -11.011 1.00 0.00 C ATOM 1435 O PRO A 96 1.618 -19.091 -11.043 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.898 -17.140 -11.607 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.751 -15.723 -12.043 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.393 -14.944 -10.807 1.00 0.00 C ATOM 0 HA PRO A 96 -0.199 -18.002 -9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.693 -17.830 -12.426 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.912 -17.345 -11.263 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.024 -15.627 -12.803 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.677 -15.352 -12.483 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.266 -14.107 -11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.277 -14.530 -10.323 1.00 0.00 H new ATOM 1446 N ASN A 97 2.325 -16.991 -11.431 1.00 0.00 N ATOM 1447 CA ASN A 97 3.616 -17.407 -11.967 1.00 0.00 C ATOM 1448 C ASN A 97 4.554 -17.844 -10.846 1.00 0.00 C ATOM 1449 O ASN A 97 5.652 -18.342 -11.099 1.00 0.00 O ATOM 1450 CB ASN A 97 4.252 -16.267 -12.765 1.00 0.00 C ATOM 1451 CG ASN A 97 3.470 -15.933 -14.020 1.00 0.00 C ATOM 1452 OD1 ASN A 97 3.111 -14.778 -14.253 1.00 0.00 O ATOM 1453 ND2 ASN A 97 3.201 -16.945 -14.837 1.00 0.00 N ATOM 0 H ASN A 97 2.183 -15.981 -11.411 1.00 0.00 H new ATOM 0 HA ASN A 97 3.450 -18.256 -12.630 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.319 -15.380 -12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.271 -16.542 -13.038 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.678 -16.781 -15.697 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.518 -17.886 -14.605 1.00 0.00 H new ATOM 1460 N LYS A 98 4.115 -17.656 -9.607 1.00 0.00 N ATOM 1461 CA LYS A 98 4.913 -18.032 -8.446 1.00 0.00 C ATOM 1462 C LYS A 98 6.267 -17.329 -8.466 1.00 0.00 C ATOM 1463 O LYS A 98 7.265 -17.871 -7.991 1.00 0.00 O ATOM 1464 CB LYS A 98 5.114 -19.548 -8.409 1.00 0.00 C ATOM 1465 CG LYS A 98 3.866 -20.318 -8.012 1.00 0.00 C ATOM 1466 CD LYS A 98 4.200 -21.731 -7.565 1.00 0.00 C ATOM 1467 CE LYS A 98 2.965 -22.617 -7.547 1.00 0.00 C ATOM 1468 NZ LYS A 98 3.304 -24.036 -7.249 1.00 0.00 N ATOM 0 H LYS A 98 3.209 -17.245 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 98 4.375 -17.721 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.442 -19.887 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.914 -19.783 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.354 -19.792 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.177 -20.356 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.946 -22.159 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.644 -21.703 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.263 -22.247 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.462 -22.559 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.435 -24.607 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.954 -24.398 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.761 -24.095 -6.317 1.00 0.00 H new ATOM 1482 N ALA A 99 6.293 -16.121 -9.018 1.00 0.00 N ATOM 1483 CA ALA A 99 7.524 -15.343 -9.096 1.00 0.00 C ATOM 1484 C ALA A 99 7.496 -14.171 -8.121 1.00 0.00 C ATOM 1485 O ALA A 99 6.830 -13.161 -8.346 1.00 0.00 O ATOM 1486 CB ALA A 99 7.744 -14.845 -10.517 1.00 0.00 C ATOM 0 H ALA A 99 5.476 -15.659 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 99 8.354 -15.993 -8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.666 -14.266 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.818 -15.696 -11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.906 -14.216 -10.816 1.00 0.00 H new ATOM 1492 N PRO A 100 8.235 -14.307 -7.010 1.00 0.00 N ATOM 1493 CA PRO A 100 8.312 -13.269 -5.978 1.00 0.00 C ATOM 1494 C PRO A 100 9.073 -12.036 -6.452 1.00 0.00 C ATOM 1495 O PRO A 100 10.304 -12.023 -6.472 1.00 0.00 O ATOM 1496 CB PRO A 100 9.066 -13.957 -4.838 1.00 0.00 C ATOM 1497 CG PRO A 100 9.871 -15.019 -5.503 1.00 0.00 C ATOM 1498 CD PRO A 100 9.055 -15.485 -6.677 1.00 0.00 C ATOM 0 HA PRO A 100 7.325 -12.902 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.704 -13.253 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.377 -14.381 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.836 -14.631 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.073 -15.842 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.687 -15.784 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.437 -16.346 -6.421 1.00 0.00 H new ATOM 1506 N LEU A 101 8.333 -11.000 -6.832 1.00 0.00 N ATOM 1507 CA LEU A 101 8.939 -9.760 -7.306 1.00 0.00 C ATOM 1508 C LEU A 101 8.836 -8.665 -6.249 1.00 0.00 C ATOM 1509 O LEU A 101 8.324 -8.893 -5.152 1.00 0.00 O ATOM 1510 CB LEU A 101 8.263 -9.301 -8.599 1.00 0.00 C ATOM 1511 CG LEU A 101 8.878 -9.822 -9.899 1.00 0.00 C ATOM 1512 CD1 LEU A 101 10.299 -9.307 -10.062 1.00 0.00 C ATOM 1513 CD2 LEU A 101 8.854 -11.344 -9.927 1.00 0.00 C ATOM 0 H LEU A 101 7.313 -10.994 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 101 9.994 -9.952 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.217 -9.607 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.276 -8.211 -8.625 1.00 0.00 H new ATOM 0 HG LEU A 101 8.282 -9.453 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.720 -9.688 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.290 -8.217 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.907 -9.646 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.295 -11.698 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.426 -11.732 -9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.824 -11.693 -9.858 1.00 0.00 H new ATOM 1525 N ARG A 102 9.323 -7.476 -6.586 1.00 0.00 N ATOM 1526 CA ARG A 102 9.285 -6.345 -5.666 1.00 0.00 C ATOM 1527 C ARG A 102 8.146 -5.394 -6.022 1.00 0.00 C ATOM 1528 O ARG A 102 7.552 -5.493 -7.096 1.00 0.00 O ATOM 1529 CB ARG A 102 10.617 -5.595 -5.691 1.00 0.00 C ATOM 1530 CG ARG A 102 11.782 -6.403 -5.143 1.00 0.00 C ATOM 1531 CD ARG A 102 11.712 -6.523 -3.628 1.00 0.00 C ATOM 1532 NE ARG A 102 12.726 -7.434 -3.104 1.00 0.00 N ATOM 1533 CZ ARG A 102 12.678 -8.753 -3.257 1.00 0.00 C ATOM 1534 NH1 ARG A 102 11.673 -9.311 -3.916 1.00 0.00 N ATOM 1535 NH2 ARG A 102 13.639 -9.515 -2.751 1.00 0.00 N ATOM 0 H ARG A 102 9.749 -7.270 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 102 9.113 -6.731 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.840 -5.302 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.518 -4.677 -5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.778 -7.398 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 102 12.721 -5.929 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.843 -5.538 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.723 -6.876 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 102 13.514 -7.036 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.933 -8.728 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.639 -10.324 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.415 -9.088 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.602 -10.528 -2.868 1.00 0.00 H new ATOM 1549 N LEU A 103 7.847 -4.472 -5.113 1.00 0.00 N ATOM 1550 CA LEU A 103 6.779 -3.502 -5.330 1.00 0.00 C ATOM 1551 C LEU A 103 7.278 -2.081 -5.092 1.00 0.00 C ATOM 1552 O LEU A 103 8.071 -1.833 -4.183 1.00 0.00 O ATOM 1553 CB LEU A 103 5.596 -3.801 -4.406 1.00 0.00 C ATOM 1554 CG LEU A 103 4.585 -2.669 -4.222 1.00 0.00 C ATOM 1555 CD1 LEU A 103 3.835 -2.408 -5.519 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.613 -2.999 -3.099 1.00 0.00 C ATOM 0 H LEU A 103 8.329 -4.376 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 103 6.452 -3.584 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.069 -4.672 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.987 -4.075 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 103 5.128 -1.763 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.120 -1.599 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.543 -2.127 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.304 -3.311 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.901 -2.182 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.076 -3.917 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.164 -3.135 -2.169 1.00 0.00 H new ATOM 1568 N LYS A 104 6.806 -1.149 -5.913 1.00 0.00 N ATOM 1569 CA LYS A 104 7.201 0.250 -5.791 1.00 0.00 C ATOM 1570 C LYS A 104 6.044 1.098 -5.272 1.00 0.00 C ATOM 1571 O LYS A 104 5.027 1.259 -5.948 1.00 0.00 O ATOM 1572 CB LYS A 104 7.675 0.787 -7.143 1.00 0.00 C ATOM 1573 CG LYS A 104 8.398 2.120 -7.048 1.00 0.00 C ATOM 1574 CD LYS A 104 8.818 2.625 -8.418 1.00 0.00 C ATOM 1575 CE LYS A 104 7.650 3.255 -9.162 1.00 0.00 C ATOM 1576 NZ LYS A 104 8.052 3.747 -10.509 1.00 0.00 N ATOM 0 H LYS A 104 6.149 -1.337 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 104 8.021 0.309 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.339 0.055 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.815 0.896 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.748 2.854 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.278 2.014 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.618 3.357 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.221 1.799 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.849 2.523 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.251 4.083 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.229 4.169 -10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.799 4.464 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.409 2.952 -11.077 1.00 0.00 H new ATOM 1590 N LEU A 105 6.206 1.640 -4.070 1.00 0.00 N ATOM 1591 CA LEU A 105 5.175 2.474 -3.462 1.00 0.00 C ATOM 1592 C LEU A 105 5.515 3.954 -3.608 1.00 0.00 C ATOM 1593 O LEU A 105 6.647 4.368 -3.355 1.00 0.00 O ATOM 1594 CB LEU A 105 5.012 2.120 -1.983 1.00 0.00 C ATOM 1595 CG LEU A 105 4.166 0.883 -1.678 1.00 0.00 C ATOM 1596 CD1 LEU A 105 4.421 0.398 -0.259 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.688 1.184 -1.883 1.00 0.00 C ATOM 0 H LEU A 105 7.041 1.517 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 105 4.236 2.283 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.003 1.972 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.568 2.974 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 105 4.454 0.090 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.810 -0.483 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.474 0.142 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.161 1.187 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.101 0.293 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.386 1.992 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.518 1.483 -2.917 1.00 0.00 H new ATOM 1609 N ARG A 106 4.529 4.745 -4.014 1.00 0.00 N ATOM 1610 CA ARG A 106 4.723 6.179 -4.193 1.00 0.00 C ATOM 1611 C ARG A 106 3.694 6.971 -3.393 1.00 0.00 C ATOM 1612 O ARG A 106 2.492 6.885 -3.649 1.00 0.00 O ATOM 1613 CB ARG A 106 4.627 6.548 -5.674 1.00 0.00 C ATOM 1614 CG ARG A 106 4.373 8.027 -5.919 1.00 0.00 C ATOM 1615 CD ARG A 106 4.782 8.437 -7.325 1.00 0.00 C ATOM 1616 NE ARG A 106 5.137 9.852 -7.401 1.00 0.00 N ATOM 1617 CZ ARG A 106 5.608 10.433 -8.498 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.779 9.725 -9.606 1.00 0.00 N ATOM 1619 NH2 ARG A 106 5.908 11.726 -8.489 1.00 0.00 N ATOM 0 H ARG A 106 3.586 4.418 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 106 5.717 6.434 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.553 6.260 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.825 5.970 -6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.316 8.246 -5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.928 8.618 -5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.630 7.833 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.964 8.231 -8.015 1.00 0.00 H new ATOM 0 HE ARG A 106 5.016 10.425 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.549 8.731 -9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.141 10.174 -10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.777 12.274 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.270 12.171 -9.332 1.00 0.00 H new ATOM 1633 N LEU A 107 4.172 7.742 -2.422 1.00 0.00 N ATOM 1634 CA LEU A 107 3.293 8.550 -1.583 1.00 0.00 C ATOM 1635 C LEU A 107 3.353 10.019 -1.989 1.00 0.00 C ATOM 1636 O LEU A 107 4.430 10.612 -2.060 1.00 0.00 O ATOM 1637 CB LEU A 107 3.680 8.399 -0.111 1.00 0.00 C ATOM 1638 CG LEU A 107 3.746 6.967 0.422 1.00 0.00 C ATOM 1639 CD1 LEU A 107 4.190 6.959 1.877 1.00 0.00 C ATOM 1640 CD2 LEU A 107 2.397 6.280 0.271 1.00 0.00 C ATOM 0 H LEU A 107 5.163 7.825 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 107 2.272 8.195 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.654 8.866 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.963 8.957 0.492 1.00 0.00 H new ATOM 0 HG LEU A 107 4.481 6.415 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.231 5.932 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.178 7.412 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.479 7.527 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.462 5.262 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.643 6.832 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.118 6.253 -0.782 1.00 0.00 H new ATOM 1652 N THR A 108 2.188 10.603 -2.251 1.00 0.00 N ATOM 1653 CA THR A 108 2.107 12.003 -2.648 1.00 0.00 C ATOM 1654 C THR A 108 0.919 12.694 -1.989 1.00 0.00 C ATOM 1655 O THR A 108 -0.233 12.440 -2.342 1.00 0.00 O ATOM 1656 CB THR A 108 1.987 12.148 -4.177 1.00 0.00 C ATOM 1657 OG1 THR A 108 1.177 11.093 -4.707 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.359 12.118 -4.833 1.00 0.00 C ATOM 0 H THR A 108 1.287 10.128 -2.195 1.00 0.00 H new ATOM 0 HA THR A 108 3.030 12.479 -2.317 1.00 0.00 H new ATOM 0 HB THR A 108 1.519 13.109 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.344 11.031 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.249 12.222 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.964 12.940 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.849 11.171 -4.608 1.00 0.00 H new ATOM 1666 N TYR A 109 1.206 13.568 -1.031 1.00 0.00 N ATOM 1667 CA TYR A 109 0.160 14.295 -0.321 1.00 0.00 C ATOM 1668 C TYR A 109 0.692 15.613 0.233 1.00 0.00 C ATOM 1669 O TYR A 109 1.887 15.898 0.148 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.402 13.440 0.817 1.00 0.00 C ATOM 1671 CG TYR A 109 0.646 12.988 1.808 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.281 13.900 2.643 1.00 0.00 C ATOM 1673 CD2 TYR A 109 1.002 11.649 1.911 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.239 13.491 3.550 1.00 0.00 C ATOM 1675 CE2 TYR A 109 1.958 11.231 2.816 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.574 12.156 3.633 1.00 0.00 C ATOM 1677 OH TYR A 109 3.528 11.744 4.536 1.00 0.00 O ATOM 0 H TYR A 109 2.154 13.790 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.638 14.516 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.167 14.009 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.892 12.563 0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 109 1.021 14.946 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.523 10.922 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.723 14.213 4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.222 10.186 2.884 1.00 0.00 H new ATOM 0 HH TYR A 109 3.864 12.519 5.034 1.00 0.00 H new ATOM 1687 N ASP A 110 -0.204 16.413 0.800 1.00 0.00 N ATOM 1688 CA ASP A 110 0.174 17.701 1.370 1.00 0.00 C ATOM 1689 C ASP A 110 0.290 17.610 2.889 1.00 0.00 C ATOM 1690 O ASP A 110 -0.539 16.983 3.549 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.849 18.772 0.988 1.00 0.00 C ATOM 1692 CG ASP A 110 -0.849 19.943 1.950 1.00 0.00 C ATOM 1693 OD1 ASP A 110 -1.525 19.851 2.996 1.00 0.00 O ATOM 1694 OD2 ASP A 110 -0.173 20.952 1.658 1.00 0.00 O ATOM 0 H ASP A 110 -1.197 16.193 0.877 1.00 0.00 H new ATOM 0 HA ASP A 110 1.147 17.978 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.635 19.132 -0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.844 18.327 0.962 1.00 0.00 H new ATOM 1699 N HIS A 111 1.324 18.239 3.437 1.00 0.00 N ATOM 1700 CA HIS A 111 1.549 18.229 4.878 1.00 0.00 C ATOM 1701 C HIS A 111 2.086 19.576 5.354 1.00 0.00 C ATOM 1702 O HIS A 111 2.987 20.148 4.741 1.00 0.00 O ATOM 1703 CB HIS A 111 2.527 17.115 5.255 1.00 0.00 C ATOM 1704 CG HIS A 111 2.585 16.841 6.726 1.00 0.00 C ATOM 1705 ND1 HIS A 111 3.632 16.176 7.327 1.00 0.00 N ATOM 1706 CD2 HIS A 111 1.717 17.148 7.718 1.00 0.00 C ATOM 1707 CE1 HIS A 111 3.406 16.085 8.625 1.00 0.00 C ATOM 1708 NE2 HIS A 111 2.250 16.667 8.889 1.00 0.00 N ATOM 0 H HIS A 111 2.020 18.762 2.905 1.00 0.00 H new ATOM 0 HA HIS A 111 0.593 18.045 5.369 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.242 16.201 4.735 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.523 17.384 4.904 1.00 0.00 H new ATOM 0 HD1 HIS A 111 4.453 15.811 6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.780 17.673 7.609 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.056 15.615 9.348 1.00 0.00 H new ATOM 1716 N PHE A 112 1.526 20.076 6.450 1.00 0.00 N ATOM 1717 CA PHE A 112 1.947 21.357 7.007 1.00 0.00 C ATOM 1718 C PHE A 112 2.142 22.392 5.903 1.00 0.00 C ATOM 1719 O PHE A 112 3.102 23.164 5.923 1.00 0.00 O ATOM 1720 CB PHE A 112 3.244 21.190 7.801 1.00 0.00 C ATOM 1721 CG PHE A 112 3.024 20.778 9.228 1.00 0.00 C ATOM 1722 CD1 PHE A 112 2.328 21.599 10.101 1.00 0.00 C ATOM 1723 CD2 PHE A 112 3.512 19.569 9.697 1.00 0.00 C ATOM 1724 CE1 PHE A 112 2.125 21.222 11.415 1.00 0.00 C ATOM 1725 CE2 PHE A 112 3.312 19.187 11.011 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.616 20.014 11.870 1.00 0.00 C ATOM 0 H PHE A 112 0.780 19.614 6.970 1.00 0.00 H new ATOM 0 HA PHE A 112 1.163 21.710 7.677 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.869 20.445 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.795 22.130 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.940 22.544 9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.055 18.917 9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.583 21.872 12.086 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.700 18.243 11.365 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.456 19.717 12.896 1.00 0.00 H new ATOM 1736 N HIS A 113 1.226 22.402 4.940 1.00 0.00 N ATOM 1737 CA HIS A 113 1.297 23.342 3.827 1.00 0.00 C ATOM 1738 C HIS A 113 2.567 23.122 3.010 1.00 0.00 C ATOM 1739 O HIS A 113 3.248 24.077 2.636 1.00 0.00 O ATOM 1740 CB HIS A 113 1.252 24.781 4.343 1.00 0.00 C ATOM 1741 CG HIS A 113 0.177 25.019 5.359 1.00 0.00 C ATOM 1742 ND1 HIS A 113 0.250 26.012 6.313 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -1.002 24.387 5.565 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -0.837 25.980 7.063 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -1.613 25.002 6.630 1.00 0.00 N ATOM 0 H HIS A 113 0.426 21.770 4.908 1.00 0.00 H new ATOM 0 HA HIS A 113 0.436 23.168 3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.218 25.031 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.100 25.456 3.501 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -1.390 23.554 4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.054 26.641 7.889 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.519 24.746 7.023 1.00 0.00 H new ATOM 1753 N GLN A 114 2.879 21.859 2.739 1.00 0.00 N ATOM 1754 CA GLN A 114 4.067 21.515 1.967 1.00 0.00 C ATOM 1755 C GLN A 114 3.858 20.216 1.195 1.00 0.00 C ATOM 1756 O GLN A 114 3.281 19.260 1.714 1.00 0.00 O ATOM 1757 CB GLN A 114 5.280 21.383 2.891 1.00 0.00 C ATOM 1758 CG GLN A 114 6.030 22.688 3.099 1.00 0.00 C ATOM 1759 CD GLN A 114 6.805 22.715 4.402 1.00 0.00 C ATOM 1760 OE1 GLN A 114 6.598 23.590 5.243 1.00 0.00 O ATOM 1761 NE2 GLN A 114 7.703 21.752 4.577 1.00 0.00 N ATOM 0 H GLN A 114 2.326 21.057 3.042 1.00 0.00 H new ATOM 0 HA GLN A 114 4.249 22.316 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.950 21.005 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.964 20.643 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.718 22.843 2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.321 23.516 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 114 7.842 21.047 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.254 21.718 5.435 1.00 0.00 H new ATOM 1770 N SER A 115 4.330 20.190 -0.047 1.00 0.00 N ATOM 1771 CA SER A 115 4.191 19.010 -0.893 1.00 0.00 C ATOM 1772 C SER A 115 5.128 17.897 -0.431 1.00 0.00 C ATOM 1773 O SER A 115 6.343 18.082 -0.362 1.00 0.00 O ATOM 1774 CB SER A 115 4.483 19.365 -2.352 1.00 0.00 C ATOM 1775 OG SER A 115 3.379 20.025 -2.947 1.00 0.00 O ATOM 0 H SER A 115 4.812 20.972 -0.490 1.00 0.00 H new ATOM 0 HA SER A 115 3.164 18.654 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.364 20.004 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.713 18.458 -2.911 1.00 0.00 H new ATOM 0 HG SER A 115 3.591 20.243 -3.879 1.00 0.00 H new ATOM 1781 N VAL A 116 4.552 16.741 -0.116 1.00 0.00 N ATOM 1782 CA VAL A 116 5.334 15.597 0.338 1.00 0.00 C ATOM 1783 C VAL A 116 5.310 14.472 -0.690 1.00 0.00 C ATOM 1784 O VAL A 116 4.275 13.844 -0.912 1.00 0.00 O ATOM 1785 CB VAL A 116 4.812 15.060 1.684 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.621 13.849 2.126 1.00 0.00 C ATOM 1787 CG2 VAL A 116 4.848 16.151 2.743 1.00 0.00 C ATOM 0 H VAL A 116 3.547 16.572 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 116 6.359 15.945 0.467 1.00 0.00 H new ATOM 0 HB VAL A 116 3.776 14.747 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.238 13.483 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.538 13.063 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.667 14.132 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.476 15.754 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.873 16.497 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.221 16.985 2.428 1.00 0.00 H new ATOM 1797 N GLN A 117 6.456 14.223 -1.314 1.00 0.00 N ATOM 1798 CA GLN A 117 6.566 13.172 -2.319 1.00 0.00 C ATOM 1799 C GLN A 117 7.810 12.322 -2.085 1.00 0.00 C ATOM 1800 O GLN A 117 8.926 12.742 -2.389 1.00 0.00 O ATOM 1801 CB GLN A 117 6.607 13.782 -3.721 1.00 0.00 C ATOM 1802 CG GLN A 117 6.994 12.789 -4.806 1.00 0.00 C ATOM 1803 CD GLN A 117 7.357 13.464 -6.113 1.00 0.00 C ATOM 1804 OE1 GLN A 117 6.354 13.987 -6.809 1.00 0.00 O flip ATOM 1805 NE2 GLN A 117 8.527 13.516 -6.495 1.00 0.00 N flip ATOM 0 H GLN A 117 7.322 14.734 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 117 5.689 12.530 -2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.628 14.200 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.317 14.609 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.839 12.193 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.166 12.100 -4.975 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.267 13.101 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.756 13.974 -7.377 1.00 0.00 H new ATOM 1814 N GLU A 118 7.610 11.126 -1.542 1.00 0.00 N ATOM 1815 CA GLU A 118 8.717 10.218 -1.266 1.00 0.00 C ATOM 1816 C GLU A 118 8.426 8.823 -1.812 1.00 0.00 C ATOM 1817 O GLU A 118 7.493 8.153 -1.368 1.00 0.00 O ATOM 1818 CB GLU A 118 8.981 10.142 0.240 1.00 0.00 C ATOM 1819 CG GLU A 118 9.710 11.356 0.791 1.00 0.00 C ATOM 1820 CD GLU A 118 11.120 11.485 0.250 1.00 0.00 C ATOM 1821 OE1 GLU A 118 11.909 10.531 0.414 1.00 0.00 O ATOM 1822 OE2 GLU A 118 11.435 12.542 -0.338 1.00 0.00 O ATOM 0 H GLU A 118 6.692 10.763 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 118 9.605 10.607 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.031 10.031 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.568 9.248 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.147 12.256 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.747 11.290 1.878 1.00 0.00 H new ATOM 1829 N ILE A 119 9.231 8.393 -2.778 1.00 0.00 N ATOM 1830 CA ILE A 119 9.060 7.078 -3.385 1.00 0.00 C ATOM 1831 C ILE A 119 10.088 6.088 -2.848 1.00 0.00 C ATOM 1832 O ILE A 119 11.293 6.332 -2.909 1.00 0.00 O ATOM 1833 CB ILE A 119 9.182 7.146 -4.918 1.00 0.00 C ATOM 1834 CG1 ILE A 119 8.058 8.004 -5.503 1.00 0.00 C ATOM 1835 CG2 ILE A 119 9.153 5.747 -5.515 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.382 9.481 -5.543 1.00 0.00 C ATOM 0 H ILE A 119 10.007 8.935 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 119 8.058 6.737 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 119 10.136 7.608 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.839 7.661 -6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.154 7.855 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.240 5.812 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.985 5.165 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.213 5.260 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.540 10.027 -5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.572 9.839 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.268 9.643 -6.157 1.00 0.00 H new ATOM 1848 N PHE A 120 9.603 4.967 -2.324 1.00 0.00 N ATOM 1849 CA PHE A 120 10.479 3.937 -1.777 1.00 0.00 C ATOM 1850 C PHE A 120 10.067 2.553 -2.271 1.00 0.00 C ATOM 1851 O PHE A 120 8.955 2.365 -2.763 1.00 0.00 O ATOM 1852 CB PHE A 120 10.452 3.974 -0.248 1.00 0.00 C ATOM 1853 CG PHE A 120 9.066 4.043 0.326 1.00 0.00 C ATOM 1854 CD1 PHE A 120 8.337 2.886 0.551 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.491 5.264 0.640 1.00 0.00 C ATOM 1856 CE1 PHE A 120 7.061 2.946 1.079 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.216 5.330 1.168 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.499 4.169 1.387 1.00 0.00 C ATOM 0 H PHE A 120 8.608 4.749 -2.267 1.00 0.00 H new ATOM 0 HA PHE A 120 11.494 4.139 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.952 3.086 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 120 11.023 4.836 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 120 8.771 1.927 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.046 6.175 0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.504 2.037 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.780 6.288 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.502 4.218 1.798 1.00 0.00 H new ATOM 1868 N GLU A 121 10.972 1.589 -2.135 1.00 0.00 N ATOM 1869 CA GLU A 121 10.703 0.223 -2.569 1.00 0.00 C ATOM 1870 C GLU A 121 10.758 -0.743 -1.389 1.00 0.00 C ATOM 1871 O GLU A 121 11.652 -0.662 -0.547 1.00 0.00 O ATOM 1872 CB GLU A 121 11.710 -0.203 -3.639 1.00 0.00 C ATOM 1873 CG GLU A 121 11.568 0.559 -4.946 1.00 0.00 C ATOM 1874 CD GLU A 121 12.743 0.339 -5.880 1.00 0.00 C ATOM 1875 OE1 GLU A 121 13.810 0.942 -5.642 1.00 0.00 O ATOM 1876 OE2 GLU A 121 12.595 -0.436 -6.847 1.00 0.00 O ATOM 0 H GLU A 121 11.897 1.728 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 121 9.699 0.194 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.719 -0.061 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.591 -1.269 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 121 10.649 0.250 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.472 1.624 -4.733 1.00 0.00 H new ATOM 1883 N VAL A 122 9.795 -1.657 -1.335 1.00 0.00 N ATOM 1884 CA VAL A 122 9.733 -2.640 -0.260 1.00 0.00 C ATOM 1885 C VAL A 122 10.549 -3.881 -0.602 1.00 0.00 C ATOM 1886 O VAL A 122 10.260 -4.579 -1.573 1.00 0.00 O ATOM 1887 CB VAL A 122 8.280 -3.059 0.035 1.00 0.00 C ATOM 1888 CG1 VAL A 122 8.207 -3.860 1.325 1.00 0.00 C ATOM 1889 CG2 VAL A 122 7.377 -1.837 0.104 1.00 0.00 C ATOM 0 H VAL A 122 9.047 -1.737 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 122 10.153 -2.166 0.627 1.00 0.00 H new ATOM 0 HB VAL A 122 7.931 -3.694 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.173 -4.147 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.821 -4.756 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.574 -3.252 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.355 -2.152 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.722 -1.174 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.406 -1.309 -0.849 1.00 0.00 H new ATOM 1899 N ASN A 123 11.571 -4.151 0.204 1.00 0.00 N ATOM 1900 CA ASN A 123 12.431 -5.309 -0.014 1.00 0.00 C ATOM 1901 C ASN A 123 12.332 -6.287 1.154 1.00 0.00 C ATOM 1902 O ASN A 123 12.967 -7.340 1.150 1.00 0.00 O ATOM 1903 CB ASN A 123 13.883 -4.865 -0.200 1.00 0.00 C ATOM 1904 CG ASN A 123 14.261 -3.724 0.725 1.00 0.00 C ATOM 1905 OD1 ASN A 123 14.424 -2.584 0.288 1.00 0.00 O ATOM 1906 ND2 ASN A 123 14.404 -4.026 2.010 1.00 0.00 N ATOM 0 H ASN A 123 11.824 -3.584 1.013 1.00 0.00 H new ATOM 0 HA ASN A 123 12.095 -5.815 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 123 14.545 -5.711 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 123 14.036 -4.557 -1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 123 14.659 -3.300 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 123 14.259 -4.984 2.328 1.00 0.00 H new ATOM 1913 N ASN A 124 11.529 -5.930 2.151 1.00 0.00 N ATOM 1914 CA ASN A 124 11.346 -6.775 3.325 1.00 0.00 C ATOM 1915 C ASN A 124 9.984 -7.461 3.295 1.00 0.00 C ATOM 1916 O ASN A 124 9.382 -7.718 4.339 1.00 0.00 O ATOM 1917 CB ASN A 124 11.484 -5.945 4.603 1.00 0.00 C ATOM 1918 CG ASN A 124 11.675 -6.809 5.835 1.00 0.00 C ATOM 1919 OD1 ASN A 124 12.531 -7.694 5.860 1.00 0.00 O ATOM 1920 ND2 ASN A 124 10.878 -6.554 6.866 1.00 0.00 N ATOM 0 H ASN A 124 10.995 -5.061 2.169 1.00 0.00 H new ATOM 0 HA ASN A 124 12.120 -7.543 3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.332 -5.267 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.595 -5.327 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 124 10.961 -7.101 7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.182 -5.811 6.801 1.00 0.00 H new ATOM 1927 N LEU A 125 9.503 -7.756 2.092 1.00 0.00 N ATOM 1928 CA LEU A 125 8.212 -8.414 1.925 1.00 0.00 C ATOM 1929 C LEU A 125 8.226 -9.807 2.544 1.00 0.00 C ATOM 1930 O LEU A 125 9.247 -10.494 2.565 1.00 0.00 O ATOM 1931 CB LEU A 125 7.853 -8.507 0.441 1.00 0.00 C ATOM 1932 CG LEU A 125 7.356 -7.216 -0.212 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.320 -7.363 -1.725 1.00 0.00 C ATOM 1934 CD2 LEU A 125 5.981 -6.844 0.323 1.00 0.00 C ATOM 0 H LEU A 125 9.987 -7.550 1.218 1.00 0.00 H new ATOM 0 HA LEU A 125 7.459 -7.816 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.732 -8.851 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.084 -9.271 0.321 1.00 0.00 H new ATOM 0 HG LEU A 125 8.050 -6.414 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.964 -6.435 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.322 -7.582 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.648 -8.177 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.643 -5.923 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.276 -7.646 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.038 -6.696 1.401 1.00 0.00 H new ATOM 1946 N PRO A 126 7.065 -10.238 3.060 1.00 0.00 N ATOM 1947 CA PRO A 126 6.917 -11.554 3.688 1.00 0.00 C ATOM 1948 C PRO A 126 7.001 -12.691 2.675 1.00 0.00 C ATOM 1949 O PRO A 126 6.464 -12.594 1.572 1.00 0.00 O ATOM 1950 CB PRO A 126 5.520 -11.495 4.311 1.00 0.00 C ATOM 1951 CG PRO A 126 4.784 -10.488 3.497 1.00 0.00 C ATOM 1952 CD PRO A 126 5.807 -9.472 3.071 1.00 0.00 C ATOM 0 HA PRO A 126 7.711 -11.754 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.029 -12.468 4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.566 -11.199 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.313 -10.954 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.989 -10.021 4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.579 -9.060 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.853 -8.633 3.765 1.00 0.00 H new ATOM 1960 N VAL A 127 7.677 -13.770 3.058 1.00 0.00 N ATOM 1961 CA VAL A 127 7.830 -14.927 2.184 1.00 0.00 C ATOM 1962 C VAL A 127 6.513 -15.679 2.033 1.00 0.00 C ATOM 1963 O VAL A 127 6.170 -16.139 0.944 1.00 0.00 O ATOM 1964 CB VAL A 127 8.904 -15.894 2.715 1.00 0.00 C ATOM 1965 CG1 VAL A 127 8.520 -16.413 4.093 1.00 0.00 C ATOM 1966 CG2 VAL A 127 9.113 -17.044 1.742 1.00 0.00 C ATOM 0 H VAL A 127 8.127 -13.867 3.968 1.00 0.00 H new ATOM 0 HA VAL A 127 8.143 -14.549 1.211 1.00 0.00 H new ATOM 0 HB VAL A 127 9.845 -15.351 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.290 -17.095 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.426 -15.575 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 127 7.568 -16.941 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.875 -17.718 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.177 -17.589 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 127 9.436 -16.651 0.778 1.00 0.00 H new ATOM 1976 N GLU A 128 5.778 -15.802 3.135 1.00 0.00 N ATOM 1977 CA GLU A 128 4.498 -16.500 3.125 1.00 0.00 C ATOM 1978 C GLU A 128 3.671 -16.103 1.905 1.00 0.00 C ATOM 1979 O GLU A 128 3.025 -16.943 1.280 1.00 0.00 O ATOM 1980 CB GLU A 128 3.717 -16.197 4.405 1.00 0.00 C ATOM 1981 CG GLU A 128 4.065 -17.117 5.563 1.00 0.00 C ATOM 1982 CD GLU A 128 5.557 -17.355 5.691 1.00 0.00 C ATOM 1983 OE1 GLU A 128 6.236 -16.528 6.336 1.00 0.00 O ATOM 1984 OE2 GLU A 128 6.046 -18.366 5.146 1.00 0.00 O ATOM 0 H GLU A 128 6.047 -15.427 4.045 1.00 0.00 H new ATOM 0 HA GLU A 128 4.697 -17.570 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.908 -15.166 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.650 -16.276 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.689 -16.686 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.559 -18.073 5.428 1.00 0.00 H new ATOM 1991 N SER A 129 3.697 -14.816 1.574 1.00 0.00 N ATOM 1992 CA SER A 129 2.947 -14.305 0.433 1.00 0.00 C ATOM 1993 C SER A 129 2.976 -15.298 -0.725 1.00 0.00 C ATOM 1994 O SER A 129 1.934 -15.767 -1.181 1.00 0.00 O ATOM 1995 CB SER A 129 3.518 -12.960 -0.020 1.00 0.00 C ATOM 1996 OG SER A 129 2.967 -11.893 0.733 1.00 0.00 O ATOM 0 H SER A 129 4.229 -14.108 2.080 1.00 0.00 H new ATOM 0 HA SER A 129 1.912 -14.166 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 129 4.602 -12.966 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.307 -12.809 -1.079 1.00 0.00 H new ATOM 0 HG SER A 129 3.349 -11.044 0.426 1.00 0.00 H new ATOM 2002 N TRP A 130 4.178 -15.614 -1.194 1.00 0.00 N ATOM 2003 CA TRP A 130 4.344 -16.551 -2.299 1.00 0.00 C ATOM 2004 C TRP A 130 4.377 -17.989 -1.793 1.00 0.00 C ATOM 2005 O TRP A 130 3.914 -18.905 -2.472 1.00 0.00 O ATOM 2006 CB TRP A 130 5.628 -16.240 -3.070 1.00 0.00 C ATOM 2007 CG TRP A 130 6.875 -16.541 -2.294 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.687 -15.641 -1.666 1.00 0.00 C ATOM 2009 CD2 TRP A 130 7.451 -17.832 -2.065 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.734 -16.293 -1.061 1.00 0.00 N ATOM 2011 CE2 TRP A 130 8.612 -17.638 -1.291 1.00 0.00 C ATOM 2012 CE3 TRP A 130 7.099 -19.132 -2.438 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 9.420 -18.697 -0.884 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 7.903 -20.181 -2.034 1.00 0.00 C ATOM 2015 CH2 TRP A 130 9.052 -19.959 -1.264 1.00 0.00 C ATOM 0 H TRP A 130 5.051 -15.235 -0.827 1.00 0.00 H new ATOM 0 HA TRP A 130 3.491 -16.440 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 130 5.636 -16.816 -3.995 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.629 -15.187 -3.351 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.529 -14.573 -1.648 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.481 -15.848 -0.527 1.00 0.00 H new ATOM 0 HE3 TRP A 130 6.215 -19.314 -3.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 10.306 -18.528 -0.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 7.641 -21.190 -2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 130 9.659 -20.800 -0.964 1.00 0.00 H new ATOM 2026 N GLN A 131 4.925 -18.179 -0.597 1.00 0.00 N ATOM 2027 CA GLN A 131 5.017 -19.506 -0.002 1.00 0.00 C ATOM 2028 C GLN A 131 3.664 -19.956 0.538 1.00 0.00 C ATOM 2029 O GLN A 131 2.692 -19.199 0.516 1.00 0.00 O ATOM 2030 CB GLN A 131 6.055 -19.514 1.122 1.00 0.00 C ATOM 2031 CG GLN A 131 6.294 -20.890 1.721 1.00 0.00 C ATOM 2032 CD GLN A 131 7.521 -20.935 2.611 1.00 0.00 C ATOM 2033 OE1 GLN A 131 7.425 -20.768 3.827 1.00 0.00 O ATOM 2034 NE2 GLN A 131 8.682 -21.160 2.008 1.00 0.00 N ATOM 0 H GLN A 131 5.312 -17.431 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 131 5.328 -20.204 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 131 6.998 -19.126 0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 131 5.729 -18.835 1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 131 5.419 -21.187 2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 131 6.406 -21.617 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.714 -21.293 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.542 -21.200 2.555 1.00 0.00 H new