USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 670 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 52 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.851 K(o=-0.85,f=-3.1!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.29) USER MOD Single : A 28 GLN : amide:sc= -0.0335 X(o=-0.033,f=-0.45) USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= -0.621 (180deg=-2.1!) USER MOD Single : A 35 ASN : amide:sc= 0.0207 K(o=0.021,f=-7.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.38) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.309 K(o=-0.31,f=-3.3!) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.96 F(o=-3.6,f=-3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.332 F(o=-1.5,f=-0.33) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0168) USER MOD Single : A 83 MET CE :methyl 170:sc= -1.22 (180deg=-1.83) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.71 X(o=-1.7,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.299 -1.823 7.903 1.00 0.00 N ATOM 152 CA TRP A 14 -1.163 -0.909 7.936 1.00 0.00 C ATOM 153 C TRP A 14 -1.355 0.158 9.009 1.00 0.00 C ATOM 154 O TRP A 14 -0.406 0.541 9.691 1.00 0.00 O ATOM 155 CB TRP A 14 -0.974 -0.248 6.570 1.00 0.00 C ATOM 156 CG TRP A 14 -2.170 0.533 6.117 1.00 0.00 C ATOM 157 CD1 TRP A 14 -3.177 0.093 5.305 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.483 1.890 6.448 1.00 0.00 C ATOM 159 NE1 TRP A 14 -4.096 1.095 5.112 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.694 2.207 5.803 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.859 2.867 7.228 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -4.291 3.461 5.914 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.452 4.111 7.337 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.658 4.399 6.684 1.00 0.00 C ATOM 0 HA TRP A 14 -0.271 -1.486 8.179 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -0.110 0.416 6.612 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.750 -1.017 5.830 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.241 -0.897 4.878 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.941 1.023 4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.930 2.654 7.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.220 3.685 5.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.978 4.874 7.936 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.097 5.380 6.790 1.00 0.00 H new ATOM 175 N GLU A 15 -2.588 0.633 9.151 1.00 0.00 N ATOM 176 CA GLU A 15 -2.902 1.657 10.141 1.00 0.00 C ATOM 177 C GLU A 15 -2.496 1.204 11.540 1.00 0.00 C ATOM 178 O GLU A 15 -2.308 2.023 12.441 1.00 0.00 O ATOM 179 CB GLU A 15 -4.397 1.984 10.113 1.00 0.00 C ATOM 180 CG GLU A 15 -5.283 0.813 10.504 1.00 0.00 C ATOM 181 CD GLU A 15 -6.675 0.913 9.911 1.00 0.00 C ATOM 182 OE1 GLU A 15 -7.525 1.610 10.504 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.915 0.293 8.853 1.00 0.00 O ATOM 0 H GLU A 15 -3.385 0.326 8.594 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.336 2.554 9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.591 2.817 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.669 2.316 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.818 -0.116 10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.357 0.765 11.590 1.00 0.00 H new ATOM 190 N LEU A 16 -2.362 -0.106 11.716 1.00 0.00 N ATOM 191 CA LEU A 16 -1.979 -0.670 13.005 1.00 0.00 C ATOM 192 C LEU A 16 -0.510 -0.391 13.306 1.00 0.00 C ATOM 193 O LEU A 16 -0.137 -0.150 14.454 1.00 0.00 O ATOM 194 CB LEU A 16 -2.236 -2.178 13.021 1.00 0.00 C ATOM 195 CG LEU A 16 -3.683 -2.609 13.264 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.838 -4.107 13.048 1.00 0.00 C ATOM 197 CD2 LEU A 16 -4.126 -2.223 14.668 1.00 0.00 C ATOM 0 H LEU A 16 -2.513 -0.798 10.982 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.586 -0.196 13.776 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.910 -2.592 12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.610 -2.625 13.793 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.321 -2.091 12.548 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.874 -4.395 13.225 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.562 -4.357 12.024 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.189 -4.643 13.740 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.158 -2.537 14.823 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.483 -2.713 15.400 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.054 -1.142 14.788 1.00 0.00 H new ATOM 209 N GLN A 17 0.319 -0.423 12.267 1.00 0.00 N ATOM 210 CA GLN A 17 1.747 -0.171 12.422 1.00 0.00 C ATOM 211 C GLN A 17 2.030 1.325 12.508 1.00 0.00 C ATOM 212 O GLN A 17 2.904 1.758 13.259 1.00 0.00 O ATOM 213 CB GLN A 17 2.523 -0.783 11.254 1.00 0.00 C ATOM 214 CG GLN A 17 2.294 -2.276 11.086 1.00 0.00 C ATOM 215 CD GLN A 17 3.147 -3.106 12.025 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.356 -3.236 11.832 1.00 0.00 O ATOM 217 NE2 GLN A 17 2.520 -3.673 13.050 1.00 0.00 N ATOM 0 H GLN A 17 0.027 -0.621 11.310 1.00 0.00 H new ATOM 0 HA GLN A 17 2.074 -0.637 13.351 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.238 -0.274 10.333 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.588 -0.602 11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.242 -2.501 11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.512 -2.560 10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.516 -3.538 13.171 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.042 -4.243 13.715 1.00 0.00 H new ATOM 226 N ILE A 18 1.285 2.108 11.736 1.00 0.00 N ATOM 227 CA ILE A 18 1.456 3.556 11.726 1.00 0.00 C ATOM 228 C ILE A 18 0.949 4.178 13.023 1.00 0.00 C ATOM 229 O ILE A 18 -0.112 3.810 13.527 1.00 0.00 O ATOM 230 CB ILE A 18 0.719 4.202 10.538 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.372 5.535 10.169 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.752 4.401 10.872 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.652 6.275 9.063 1.00 0.00 C ATOM 0 H ILE A 18 0.557 1.765 11.109 1.00 0.00 H new ATOM 0 HA ILE A 18 2.525 3.747 11.627 1.00 0.00 H new ATOM 0 HB ILE A 18 0.789 3.534 9.679 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.410 6.169 11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.402 5.353 9.863 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.259 4.858 10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.209 3.436 11.091 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.843 5.051 11.742 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.170 7.211 8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.637 5.660 8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.371 6.488 9.374 1.00 0.00 H new ATOM 245 N SER A 19 1.715 5.123 13.558 1.00 0.00 N ATOM 246 CA SER A 19 1.345 5.796 14.798 1.00 0.00 C ATOM 247 C SER A 19 -0.059 6.384 14.699 1.00 0.00 C ATOM 248 O SER A 19 -0.597 6.592 13.611 1.00 0.00 O ATOM 249 CB SER A 19 2.352 6.901 15.124 1.00 0.00 C ATOM 250 OG SER A 19 3.435 6.395 15.885 1.00 0.00 O ATOM 0 H SER A 19 2.596 5.440 13.153 1.00 0.00 H new ATOM 0 HA SER A 19 1.355 5.058 15.600 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.727 7.340 14.199 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.856 7.698 15.677 1.00 0.00 H new ATOM 0 HG SER A 19 4.065 7.120 16.079 1.00 0.00 H new ATOM 256 N PRO A 20 -0.668 6.660 15.862 1.00 0.00 N ATOM 257 CA PRO A 20 -2.017 7.229 15.934 1.00 0.00 C ATOM 258 C PRO A 20 -2.062 8.676 15.454 1.00 0.00 C ATOM 259 O PRO A 20 -3.077 9.133 14.930 1.00 0.00 O ATOM 260 CB PRO A 20 -2.356 7.149 17.424 1.00 0.00 C ATOM 261 CG PRO A 20 -1.036 7.155 18.115 1.00 0.00 C ATOM 262 CD PRO A 20 -0.085 6.438 17.196 1.00 0.00 C ATOM 0 HA PRO A 20 -2.720 6.695 15.294 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.970 7.994 17.736 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.919 6.244 17.654 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.700 8.174 18.306 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.099 6.653 19.081 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.924 6.844 17.266 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.019 5.376 17.434 1.00 0.00 H new ATOM 270 N GLU A 21 -0.956 9.390 15.638 1.00 0.00 N ATOM 271 CA GLU A 21 -0.871 10.786 15.224 1.00 0.00 C ATOM 272 C GLU A 21 -0.528 10.893 13.741 1.00 0.00 C ATOM 273 O GLU A 21 -0.809 11.906 13.099 1.00 0.00 O ATOM 274 CB GLU A 21 0.178 11.526 16.057 1.00 0.00 C ATOM 275 CG GLU A 21 -0.129 11.543 17.545 1.00 0.00 C ATOM 276 CD GLU A 21 0.760 12.503 18.312 1.00 0.00 C ATOM 277 OE1 GLU A 21 0.641 13.727 18.090 1.00 0.00 O ATOM 278 OE2 GLU A 21 1.573 12.032 19.134 1.00 0.00 O ATOM 0 H GLU A 21 -0.107 9.025 16.071 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.845 11.247 15.388 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.150 11.059 15.900 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.256 12.552 15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.172 11.822 17.694 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.007 10.538 17.949 1.00 0.00 H new ATOM 285 N LEU A 22 0.082 9.843 13.204 1.00 0.00 N ATOM 286 CA LEU A 22 0.466 9.818 11.796 1.00 0.00 C ATOM 287 C LEU A 22 -0.741 9.535 10.908 1.00 0.00 C ATOM 288 O LEU A 22 -0.851 10.068 9.803 1.00 0.00 O ATOM 289 CB LEU A 22 1.545 8.760 11.560 1.00 0.00 C ATOM 290 CG LEU A 22 2.968 9.151 11.964 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.604 10.027 10.896 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.963 9.863 13.309 1.00 0.00 C ATOM 0 H LEU A 22 0.322 8.997 13.721 1.00 0.00 H new ATOM 0 HA LEU A 22 0.864 10.799 11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.268 7.859 12.107 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.547 8.502 10.501 1.00 0.00 H new ATOM 0 HG LEU A 22 3.562 8.242 12.059 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.616 10.295 11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.641 9.482 9.953 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.011 10.933 10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.983 10.134 13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.354 10.764 13.241 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.548 9.201 14.069 1.00 0.00 H new ATOM 304 N LEU A 23 -1.647 8.697 11.398 1.00 0.00 N ATOM 305 CA LEU A 23 -2.849 8.345 10.650 1.00 0.00 C ATOM 306 C LEU A 23 -3.764 9.555 10.490 1.00 0.00 C ATOM 307 O LEU A 23 -4.098 9.949 9.373 1.00 0.00 O ATOM 308 CB LEU A 23 -3.599 7.213 11.355 1.00 0.00 C ATOM 309 CG LEU A 23 -4.961 6.843 10.766 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.796 6.217 9.390 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.705 5.898 11.698 1.00 0.00 C ATOM 0 H LEU A 23 -1.572 8.248 12.311 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.545 8.009 9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.968 6.324 11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.741 7.492 12.399 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.549 7.755 10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.776 5.960 8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.304 6.926 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.190 5.315 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.672 5.645 11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.120 4.989 11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.856 6.383 12.663 1.00 0.00 H new ATOM 323 N ALA A 24 -4.164 10.140 11.614 1.00 0.00 N ATOM 324 CA ALA A 24 -5.037 11.308 11.598 1.00 0.00 C ATOM 325 C ALA A 24 -4.390 12.467 10.847 1.00 0.00 C ATOM 326 O ALA A 24 -5.015 13.088 9.987 1.00 0.00 O ATOM 327 CB ALA A 24 -5.385 11.726 13.019 1.00 0.00 C ATOM 0 H ALA A 24 -3.898 9.825 12.547 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.955 11.038 11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.037 12.599 12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.896 10.907 13.524 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.471 11.972 13.560 1.00 0.00 H new ATOM 333 N HIS A 25 -3.135 12.754 11.179 1.00 0.00 N ATOM 334 CA HIS A 25 -2.403 13.839 10.535 1.00 0.00 C ATOM 335 C HIS A 25 -2.417 13.678 9.018 1.00 0.00 C ATOM 336 O HIS A 25 -2.748 14.612 8.288 1.00 0.00 O ATOM 337 CB HIS A 25 -0.962 13.882 11.042 1.00 0.00 C ATOM 338 CG HIS A 25 -0.089 14.838 10.289 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.528 16.068 9.847 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.204 14.740 9.901 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.457 16.685 9.218 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.519 15.900 9.237 1.00 0.00 N ATOM 0 H HIS A 25 -2.604 12.251 11.890 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.897 14.777 10.788 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.965 14.159 12.096 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.533 12.882 10.976 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.865 13.905 10.080 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.403 17.664 8.766 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.426 16.120 8.825 1.00 0.00 H new ATOM 351 N GLY A 26 -2.053 12.488 8.550 1.00 0.00 N ATOM 352 CA GLY A 26 -2.030 12.227 7.122 1.00 0.00 C ATOM 353 C GLY A 26 -3.392 12.398 6.479 1.00 0.00 C ATOM 354 O GLY A 26 -3.557 13.207 5.566 1.00 0.00 O ATOM 0 H GLY A 26 -1.774 11.700 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.319 12.901 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.674 11.212 6.947 1.00 0.00 H new ATOM 358 N ARG A 27 -4.369 11.633 6.955 1.00 0.00 N ATOM 359 CA ARG A 27 -5.723 11.701 6.418 1.00 0.00 C ATOM 360 C ARG A 27 -6.102 13.141 6.083 1.00 0.00 C ATOM 361 O ARG A 27 -6.538 13.434 4.970 1.00 0.00 O ATOM 362 CB ARG A 27 -6.721 11.119 7.420 1.00 0.00 C ATOM 363 CG ARG A 27 -6.904 9.616 7.294 1.00 0.00 C ATOM 364 CD ARG A 27 -7.924 9.093 8.294 1.00 0.00 C ATOM 365 NE ARG A 27 -9.279 9.103 7.750 1.00 0.00 N ATOM 366 CZ ARG A 27 -10.357 8.784 8.457 1.00 0.00 C ATOM 367 NH1 ARG A 27 -10.239 8.432 9.730 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.557 8.818 7.892 1.00 0.00 N ATOM 0 H ARG A 27 -4.248 10.959 7.711 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.755 11.112 5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.386 11.352 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.686 11.607 7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.226 9.371 6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.948 9.117 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.658 8.077 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.892 9.702 9.197 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.404 9.370 6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.319 8.406 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.069 8.188 10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.652 9.089 6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.384 8.573 8.436 1.00 0.00 H new ATOM 382 N GLN A 28 -5.934 14.033 7.053 1.00 0.00 N ATOM 383 CA GLN A 28 -6.261 15.441 6.861 1.00 0.00 C ATOM 384 C GLN A 28 -5.537 16.006 5.643 1.00 0.00 C ATOM 385 O GLN A 28 -6.153 16.618 4.769 1.00 0.00 O ATOM 386 CB GLN A 28 -5.892 16.247 8.107 1.00 0.00 C ATOM 387 CG GLN A 28 -6.638 17.566 8.222 1.00 0.00 C ATOM 388 CD GLN A 28 -8.093 17.382 8.606 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.420 16.578 9.480 1.00 0.00 O ATOM 390 NE2 GLN A 28 -8.977 18.126 7.952 1.00 0.00 N ATOM 0 H GLN A 28 -5.573 13.806 7.980 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.335 15.519 6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.097 15.645 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.820 16.445 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.146 18.193 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.581 18.095 7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.662 18.780 7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.971 18.044 8.167 1.00 0.00 H new ATOM 399 N LYS A 29 -4.226 15.798 5.590 1.00 0.00 N ATOM 400 CA LYS A 29 -3.417 16.285 4.479 1.00 0.00 C ATOM 401 C LYS A 29 -3.986 15.815 3.145 1.00 0.00 C ATOM 402 O LYS A 29 -4.114 16.598 2.203 1.00 0.00 O ATOM 403 CB LYS A 29 -1.971 15.806 4.626 1.00 0.00 C ATOM 404 CG LYS A 29 -1.203 16.520 5.725 1.00 0.00 C ATOM 405 CD LYS A 29 0.281 16.598 5.408 1.00 0.00 C ATOM 406 CE LYS A 29 0.585 17.727 4.437 1.00 0.00 C ATOM 407 NZ LYS A 29 0.510 17.275 3.020 1.00 0.00 N ATOM 0 H LYS A 29 -3.700 15.295 6.305 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.436 17.375 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.971 14.735 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.451 15.950 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.602 17.526 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.347 15.996 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.843 16.748 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.613 15.651 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.121 18.543 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.580 18.122 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.250 17.750 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.651 16.246 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.424 17.513 2.629 1.00 0.00 H new ATOM 421 N ILE A 30 -4.327 14.532 3.071 1.00 0.00 N ATOM 422 CA ILE A 30 -4.886 13.960 1.852 1.00 0.00 C ATOM 423 C ILE A 30 -6.282 14.506 1.577 1.00 0.00 C ATOM 424 O ILE A 30 -6.658 14.729 0.426 1.00 0.00 O ATOM 425 CB ILE A 30 -4.955 12.423 1.933 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.562 11.841 2.183 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.551 11.852 0.655 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.583 10.396 2.630 1.00 0.00 C ATOM 0 H ILE A 30 -4.226 13.870 3.840 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.221 14.244 1.036 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.600 12.146 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.974 11.922 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.057 12.440 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.593 10.765 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.558 12.246 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.930 12.135 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.562 10.049 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.144 10.311 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.059 9.785 1.863 1.00 0.00 H new ATOM 440 N LEU A 31 -7.047 14.723 2.642 1.00 0.00 N ATOM 441 CA LEU A 31 -8.403 15.246 2.516 1.00 0.00 C ATOM 442 C LEU A 31 -8.392 16.649 1.918 1.00 0.00 C ATOM 443 O LEU A 31 -9.303 17.028 1.182 1.00 0.00 O ATOM 444 CB LEU A 31 -9.091 15.267 3.882 1.00 0.00 C ATOM 445 CG LEU A 31 -10.552 15.719 3.891 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.452 14.628 3.331 1.00 0.00 C ATOM 447 CD2 LEU A 31 -10.984 16.099 5.300 1.00 0.00 C ATOM 0 H LEU A 31 -6.751 14.545 3.602 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.959 14.590 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.039 14.265 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.524 15.924 4.542 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.644 16.599 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.488 14.968 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.158 14.404 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.356 13.729 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.026 16.418 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.876 15.237 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.359 16.914 5.665 1.00 0.00 H new ATOM 459 N ASP A 32 -7.354 17.415 2.238 1.00 0.00 N ATOM 460 CA ASP A 32 -7.223 18.775 1.730 1.00 0.00 C ATOM 461 C ASP A 32 -6.836 18.769 0.254 1.00 0.00 C ATOM 462 O ASP A 32 -7.200 19.674 -0.498 1.00 0.00 O ATOM 463 CB ASP A 32 -6.179 19.546 2.540 1.00 0.00 C ATOM 464 CG ASP A 32 -6.035 20.983 2.080 1.00 0.00 C ATOM 465 OD1 ASP A 32 -5.298 21.222 1.100 1.00 0.00 O ATOM 466 OD2 ASP A 32 -6.660 21.869 2.699 1.00 0.00 O ATOM 0 H ASP A 32 -6.592 17.117 2.847 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.189 19.269 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.457 19.531 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.216 19.043 2.458 1.00 0.00 H new ATOM 471 N LEU A 33 -6.096 17.744 -0.154 1.00 0.00 N ATOM 472 CA LEU A 33 -5.659 17.620 -1.540 1.00 0.00 C ATOM 473 C LEU A 33 -6.801 17.138 -2.430 1.00 0.00 C ATOM 474 O LEU A 33 -6.802 17.374 -3.639 1.00 0.00 O ATOM 475 CB LEU A 33 -4.478 16.654 -1.639 1.00 0.00 C ATOM 476 CG LEU A 33 -3.860 16.488 -3.027 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.025 17.707 -3.389 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.015 15.223 -3.088 1.00 0.00 C ATOM 0 H LEU A 33 -5.786 16.987 0.455 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.344 18.605 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.700 16.992 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.805 15.675 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.667 16.397 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.593 17.571 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.658 18.595 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.225 17.830 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.583 15.122 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.215 15.284 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.641 14.357 -2.874 1.00 0.00 H new ATOM 490 N LEU A 34 -7.771 16.463 -1.825 1.00 0.00 N ATOM 491 CA LEU A 34 -8.921 15.949 -2.561 1.00 0.00 C ATOM 492 C LEU A 34 -10.030 16.994 -2.638 1.00 0.00 C ATOM 493 O LEU A 34 -10.926 16.902 -3.476 1.00 0.00 O ATOM 494 CB LEU A 34 -9.449 14.676 -1.898 1.00 0.00 C ATOM 495 CG LEU A 34 -8.428 13.558 -1.684 1.00 0.00 C ATOM 496 CD1 LEU A 34 -8.794 12.727 -0.464 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.332 12.678 -2.922 1.00 0.00 C ATOM 0 H LEU A 34 -7.785 16.258 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.597 15.715 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.873 14.943 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.264 14.285 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.453 14.012 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.056 11.936 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.810 13.365 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.779 12.283 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.601 11.888 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.305 12.233 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.021 13.282 -3.774 1.00 0.00 H new ATOM 509 N ASN A 35 -9.961 17.988 -1.758 1.00 0.00 N ATOM 510 CA ASN A 35 -10.959 19.051 -1.727 1.00 0.00 C ATOM 511 C ASN A 35 -10.433 20.310 -2.409 1.00 0.00 C ATOM 512 O ASN A 35 -11.063 20.842 -3.323 1.00 0.00 O ATOM 513 CB ASN A 35 -11.353 19.367 -0.282 1.00 0.00 C ATOM 514 CG ASN A 35 -12.439 18.444 0.236 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.197 17.862 -0.540 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.518 18.306 1.554 1.00 0.00 N ATOM 0 H ASN A 35 -9.225 18.079 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.839 18.706 -2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.474 19.285 0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.697 20.399 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.228 17.698 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.868 18.808 2.159 1.00 0.00 H new ATOM 523 N GLU A 36 -9.274 20.781 -1.959 1.00 0.00 N ATOM 524 CA GLU A 36 -8.664 21.978 -2.527 1.00 0.00 C ATOM 525 C GLU A 36 -7.911 21.647 -3.812 1.00 0.00 C ATOM 526 O GLU A 36 -7.908 22.429 -4.762 1.00 0.00 O ATOM 527 CB GLU A 36 -7.712 22.621 -1.516 1.00 0.00 C ATOM 528 CG GLU A 36 -8.274 22.682 -0.105 1.00 0.00 C ATOM 529 CD GLU A 36 -7.438 23.548 0.818 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.212 23.637 0.599 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.010 24.135 1.760 1.00 0.00 O ATOM 0 H GLU A 36 -8.739 20.352 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.461 22.683 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.777 22.060 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.472 23.632 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.292 23.071 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.332 21.673 0.303 1.00 0.00 H new ATOM 538 N GLY A 37 -7.271 20.482 -3.833 1.00 0.00 N ATOM 539 CA GLY A 37 -6.522 20.068 -5.005 1.00 0.00 C ATOM 540 C GLY A 37 -7.422 19.721 -6.175 1.00 0.00 C ATOM 541 O GLY A 37 -8.543 19.249 -5.987 1.00 0.00 O ATOM 0 H GLY A 37 -7.258 19.817 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.841 20.867 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.908 19.203 -4.753 1.00 0.00 H new ATOM 545 N SER A 38 -6.930 19.957 -7.387 1.00 0.00 N ATOM 546 CA SER A 38 -7.700 19.672 -8.593 1.00 0.00 C ATOM 547 C SER A 38 -7.287 18.333 -9.197 1.00 0.00 C ATOM 548 O SER A 38 -6.343 17.695 -8.732 1.00 0.00 O ATOM 549 CB SER A 38 -7.509 20.789 -9.621 1.00 0.00 C ATOM 550 OG SER A 38 -7.850 22.050 -9.073 1.00 0.00 O ATOM 0 H SER A 38 -6.003 20.344 -7.560 1.00 0.00 H new ATOM 0 HA SER A 38 -8.753 19.617 -8.318 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.473 20.804 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.126 20.591 -10.497 1.00 0.00 H new ATOM 0 HG SER A 38 -7.718 22.747 -9.749 1.00 0.00 H new ATOM 556 N ALA A 39 -8.002 17.915 -10.236 1.00 0.00 N ATOM 557 CA ALA A 39 -7.710 16.653 -10.906 1.00 0.00 C ATOM 558 C ALA A 39 -6.211 16.485 -11.130 1.00 0.00 C ATOM 559 O ALA A 39 -5.630 15.463 -10.765 1.00 0.00 O ATOM 560 CB ALA A 39 -8.456 16.573 -12.229 1.00 0.00 C ATOM 0 H ALA A 39 -8.787 18.431 -10.632 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.048 15.841 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.229 15.626 -12.718 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.529 16.639 -12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.146 17.397 -12.872 1.00 0.00 H new ATOM 566 N ARG A 40 -5.591 17.494 -11.734 1.00 0.00 N ATOM 567 CA ARG A 40 -4.160 17.456 -12.009 1.00 0.00 C ATOM 568 C ARG A 40 -3.363 17.272 -10.721 1.00 0.00 C ATOM 569 O ARG A 40 -2.474 16.424 -10.645 1.00 0.00 O ATOM 570 CB ARG A 40 -3.721 18.741 -12.714 1.00 0.00 C ATOM 571 CG ARG A 40 -4.385 18.952 -14.065 1.00 0.00 C ATOM 572 CD ARG A 40 -3.581 18.313 -15.187 1.00 0.00 C ATOM 573 NE ARG A 40 -4.374 18.147 -16.402 1.00 0.00 N ATOM 574 CZ ARG A 40 -4.605 19.128 -17.268 1.00 0.00 C ATOM 575 NH1 ARG A 40 -4.105 20.337 -17.054 1.00 0.00 N ATOM 576 NH2 ARG A 40 -5.336 18.899 -18.352 1.00 0.00 N ATOM 0 H ARG A 40 -6.057 18.347 -12.042 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.963 16.606 -12.662 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.945 19.593 -12.072 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.640 18.720 -12.849 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.389 18.528 -14.048 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.493 20.020 -14.256 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.709 18.929 -15.405 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.211 17.341 -14.860 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.772 17.228 -16.596 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.541 20.516 -16.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.284 21.088 -17.720 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.721 17.970 -18.521 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.513 19.652 -19.016 1.00 0.00 H new ATOM 590 N ASP A 41 -3.688 18.073 -9.712 1.00 0.00 N ATOM 591 CA ASP A 41 -3.003 17.998 -8.426 1.00 0.00 C ATOM 592 C ASP A 41 -3.045 16.578 -7.870 1.00 0.00 C ATOM 593 O ASP A 41 -2.063 16.091 -7.308 1.00 0.00 O ATOM 594 CB ASP A 41 -3.638 18.968 -7.429 1.00 0.00 C ATOM 595 CG ASP A 41 -3.666 20.394 -7.945 1.00 0.00 C ATOM 596 OD1 ASP A 41 -4.305 20.633 -8.992 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.051 21.269 -7.303 1.00 0.00 O ATOM 0 H ASP A 41 -4.421 18.781 -9.759 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.961 18.278 -8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.655 18.644 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.084 18.935 -6.491 1.00 0.00 H new ATOM 602 N LEU A 42 -4.187 15.919 -8.029 1.00 0.00 N ATOM 603 CA LEU A 42 -4.357 14.555 -7.542 1.00 0.00 C ATOM 604 C LEU A 42 -3.371 13.608 -8.219 1.00 0.00 C ATOM 605 O LEU A 42 -2.737 12.782 -7.561 1.00 0.00 O ATOM 606 CB LEU A 42 -5.790 14.079 -7.790 1.00 0.00 C ATOM 607 CG LEU A 42 -6.895 14.903 -7.128 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.245 14.582 -7.749 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.922 14.650 -5.627 1.00 0.00 C ATOM 0 H LEU A 42 -5.009 16.307 -8.491 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.159 14.551 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.967 14.068 -8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.875 13.049 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.684 15.959 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.019 15.178 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.220 14.815 -8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.465 13.523 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.714 15.244 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.109 13.593 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.962 14.932 -5.193 1.00 0.00 H new ATOM 621 N ARG A 43 -3.245 13.735 -9.535 1.00 0.00 N ATOM 622 CA ARG A 43 -2.335 12.891 -10.301 1.00 0.00 C ATOM 623 C ARG A 43 -0.925 12.945 -9.719 1.00 0.00 C ATOM 624 O ARG A 43 -0.129 12.026 -9.910 1.00 0.00 O ATOM 625 CB ARG A 43 -2.310 13.329 -11.766 1.00 0.00 C ATOM 626 CG ARG A 43 -3.635 13.128 -12.484 1.00 0.00 C ATOM 627 CD ARG A 43 -3.576 13.640 -13.915 1.00 0.00 C ATOM 628 NE ARG A 43 -2.645 14.756 -14.059 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.343 14.604 -14.274 1.00 0.00 C ATOM 630 NH1 ARG A 43 -0.821 13.389 -14.370 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.560 15.668 -14.395 1.00 0.00 N ATOM 0 H ARG A 43 -3.761 14.414 -10.094 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.696 11.864 -10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.035 14.382 -11.817 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.534 12.771 -12.290 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.892 12.069 -12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.426 13.647 -11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.275 12.829 -14.578 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.571 13.955 -14.229 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.015 15.704 -13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.420 12.568 -14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.179 13.275 -14.535 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.958 16.605 -14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.440 15.550 -14.560 1.00 0.00 H new ATOM 645 N SER A 44 -0.624 14.028 -9.009 1.00 0.00 N ATOM 646 CA SER A 44 0.691 14.204 -8.403 1.00 0.00 C ATOM 647 C SER A 44 0.962 13.116 -7.368 1.00 0.00 C ATOM 648 O SER A 44 2.107 12.717 -7.156 1.00 0.00 O ATOM 649 CB SER A 44 0.794 15.583 -7.749 1.00 0.00 C ATOM 650 OG SER A 44 2.135 16.040 -7.731 1.00 0.00 O ATOM 0 H SER A 44 -1.273 14.797 -8.839 1.00 0.00 H new ATOM 0 HA SER A 44 1.440 14.127 -9.191 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.172 16.294 -8.292 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.409 15.536 -6.730 1.00 0.00 H new ATOM 0 HG SER A 44 2.174 16.924 -7.309 1.00 0.00 H new ATOM 656 N LEU A 45 -0.100 12.640 -6.728 1.00 0.00 N ATOM 657 CA LEU A 45 0.021 11.598 -5.714 1.00 0.00 C ATOM 658 C LEU A 45 0.662 10.343 -6.298 1.00 0.00 C ATOM 659 O LEU A 45 1.063 10.324 -7.461 1.00 0.00 O ATOM 660 CB LEU A 45 -1.353 11.260 -5.135 1.00 0.00 C ATOM 661 CG LEU A 45 -1.970 12.313 -4.213 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.486 12.184 -4.195 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.406 12.185 -2.805 1.00 0.00 C ATOM 0 H LEU A 45 -1.055 12.959 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 45 0.662 11.974 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.040 11.083 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.272 10.324 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.714 13.300 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.908 12.941 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.875 12.325 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.763 11.193 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.856 12.942 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.632 11.194 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.326 12.327 -2.831 1.00 0.00 H new ATOM 675 N GLN A 46 0.752 9.297 -5.483 1.00 0.00 N ATOM 676 CA GLN A 46 1.343 8.037 -5.920 1.00 0.00 C ATOM 677 C GLN A 46 0.280 7.111 -6.502 1.00 0.00 C ATOM 678 O GLN A 46 0.234 6.886 -7.712 1.00 0.00 O ATOM 679 CB GLN A 46 2.051 7.349 -4.751 1.00 0.00 C ATOM 680 CG GLN A 46 3.314 8.065 -4.299 1.00 0.00 C ATOM 681 CD GLN A 46 4.201 8.471 -5.459 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.192 9.625 -5.888 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.975 7.523 -5.973 1.00 0.00 N ATOM 0 H GLN A 46 0.424 9.297 -4.517 1.00 0.00 H new ATOM 0 HA GLN A 46 2.073 8.257 -6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.362 7.279 -3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.305 6.329 -5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.040 8.952 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.875 7.415 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.951 6.579 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.594 7.738 -6.755 1.00 0.00 H new ATOM 692 N ARG A 47 -0.571 6.576 -5.634 1.00 0.00 N ATOM 693 CA ARG A 47 -1.633 5.672 -6.062 1.00 0.00 C ATOM 694 C ARG A 47 -2.799 6.450 -6.664 1.00 0.00 C ATOM 695 O ARG A 47 -3.950 6.271 -6.263 1.00 0.00 O ATOM 696 CB ARG A 47 -2.122 4.830 -4.882 1.00 0.00 C ATOM 697 CG ARG A 47 -0.998 4.277 -4.022 1.00 0.00 C ATOM 698 CD ARG A 47 -0.457 2.971 -4.584 1.00 0.00 C ATOM 699 NE ARG A 47 0.423 2.290 -3.637 1.00 0.00 N ATOM 700 CZ ARG A 47 1.214 1.276 -3.968 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.236 0.828 -5.216 1.00 0.00 N ATOM 702 NH2 ARG A 47 1.985 0.708 -3.050 1.00 0.00 N ATOM 0 H ARG A 47 -0.547 6.752 -4.630 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.227 5.011 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.779 5.438 -4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.720 4.001 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.193 5.009 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.361 4.115 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.289 2.315 -4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.089 3.172 -5.506 1.00 0.00 H new ATOM 0 HE ARG A 47 0.430 2.611 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.644 1.262 -5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.845 0.049 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.970 1.050 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.592 -0.071 -3.305 1.00 0.00 H new ATOM 716 N ILE A 48 -2.494 7.314 -7.626 1.00 0.00 N ATOM 717 CA ILE A 48 -3.517 8.118 -8.283 1.00 0.00 C ATOM 718 C ILE A 48 -3.134 8.423 -9.727 1.00 0.00 C ATOM 719 O ILE A 48 -1.965 8.648 -10.036 1.00 0.00 O ATOM 720 CB ILE A 48 -3.756 9.444 -7.536 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.976 9.182 -6.045 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.946 10.180 -8.132 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.269 8.456 -5.744 1.00 0.00 C ATOM 0 H ILE A 48 -1.547 7.475 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.436 7.532 -8.270 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.872 10.072 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.141 8.596 -5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.970 10.133 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.102 11.115 -7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.752 10.394 -9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.838 9.559 -8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.359 8.304 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.111 9.051 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.270 7.490 -6.248 1.00 0.00 H new ATOM 735 N GLY A 49 -4.129 8.430 -10.609 1.00 0.00 N ATOM 736 CA GLY A 49 -3.877 8.710 -12.010 1.00 0.00 C ATOM 737 C GLY A 49 -4.826 9.748 -12.574 1.00 0.00 C ATOM 738 O GLY A 49 -5.596 10.376 -11.847 1.00 0.00 O ATOM 0 H GLY A 49 -5.105 8.247 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.851 9.058 -12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.969 7.788 -12.584 1.00 0.00 H new ATOM 742 N PRO A 50 -4.778 9.942 -13.901 1.00 0.00 N ATOM 743 CA PRO A 50 -5.633 10.911 -14.591 1.00 0.00 C ATOM 744 C PRO A 50 -7.097 10.485 -14.608 1.00 0.00 C ATOM 745 O PRO A 50 -7.982 11.279 -14.926 1.00 0.00 O ATOM 746 CB PRO A 50 -5.066 10.935 -16.013 1.00 0.00 C ATOM 747 CG PRO A 50 -4.416 9.606 -16.184 1.00 0.00 C ATOM 748 CD PRO A 50 -3.884 9.228 -14.829 1.00 0.00 C ATOM 0 HA PRO A 50 -5.627 11.883 -14.098 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.854 11.088 -16.751 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.349 11.746 -16.140 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.131 8.865 -16.543 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.612 9.656 -16.919 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.918 8.150 -14.670 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.846 9.536 -14.704 1.00 0.00 H new ATOM 756 N LYS A 51 -7.345 9.225 -14.264 1.00 0.00 N ATOM 757 CA LYS A 51 -8.702 8.692 -14.238 1.00 0.00 C ATOM 758 C LYS A 51 -9.367 8.963 -12.892 1.00 0.00 C ATOM 759 O LYS A 51 -10.326 9.730 -12.804 1.00 0.00 O ATOM 760 CB LYS A 51 -8.686 7.188 -14.518 1.00 0.00 C ATOM 761 CG LYS A 51 -8.486 6.844 -15.984 1.00 0.00 C ATOM 762 CD LYS A 51 -9.803 6.846 -16.742 1.00 0.00 C ATOM 763 CE LYS A 51 -10.626 5.605 -16.431 1.00 0.00 C ATOM 764 NZ LYS A 51 -10.312 4.484 -17.360 1.00 0.00 N ATOM 0 H LYS A 51 -6.624 8.554 -13.999 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.278 9.194 -15.015 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.890 6.727 -13.933 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.625 6.753 -14.176 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.803 7.563 -16.437 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.018 5.863 -16.068 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.373 7.737 -16.480 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.608 6.896 -17.813 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.435 5.291 -15.405 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.687 5.846 -16.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.893 3.657 -17.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.518 4.775 -18.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.305 4.236 -17.277 1.00 0.00 H new ATOM 778 N LYS A 52 -8.851 8.329 -11.844 1.00 0.00 N ATOM 779 CA LYS A 52 -9.392 8.502 -10.502 1.00 0.00 C ATOM 780 C LYS A 52 -9.564 9.981 -10.171 1.00 0.00 C ATOM 781 O LYS A 52 -10.508 10.368 -9.484 1.00 0.00 O ATOM 782 CB LYS A 52 -8.474 7.842 -9.470 1.00 0.00 C ATOM 783 CG LYS A 52 -8.595 6.328 -9.429 1.00 0.00 C ATOM 784 CD LYS A 52 -7.299 5.677 -8.978 1.00 0.00 C ATOM 785 CE LYS A 52 -7.555 4.354 -8.272 1.00 0.00 C ATOM 786 NZ LYS A 52 -6.470 4.019 -7.309 1.00 0.00 N ATOM 0 H LYS A 52 -8.058 7.690 -11.899 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.371 8.023 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.441 8.110 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.703 8.243 -8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.400 6.045 -8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.865 5.957 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.655 5.511 -9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.766 6.351 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.507 4.403 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.642 3.558 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.412 2.987 -7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.563 4.380 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.676 4.456 -6.388 1.00 0.00 H new ATOM 800 N ALA A 53 -8.646 10.805 -10.667 1.00 0.00 N ATOM 801 CA ALA A 53 -8.698 12.241 -10.427 1.00 0.00 C ATOM 802 C ALA A 53 -10.002 12.837 -10.947 1.00 0.00 C ATOM 803 O ALA A 53 -10.671 13.595 -10.244 1.00 0.00 O ATOM 804 CB ALA A 53 -7.506 12.929 -11.077 1.00 0.00 C ATOM 0 H ALA A 53 -7.857 10.501 -11.238 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.656 12.406 -9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.558 14.001 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.582 12.531 -10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.523 12.747 -12.152 1.00 0.00 H new ATOM 810 N GLN A 54 -10.357 12.490 -12.180 1.00 0.00 N ATOM 811 CA GLN A 54 -11.581 12.993 -12.792 1.00 0.00 C ATOM 812 C GLN A 54 -12.811 12.363 -12.147 1.00 0.00 C ATOM 813 O GLN A 54 -13.898 12.941 -12.163 1.00 0.00 O ATOM 814 CB GLN A 54 -11.577 12.710 -14.296 1.00 0.00 C ATOM 815 CG GLN A 54 -10.739 13.692 -15.098 1.00 0.00 C ATOM 816 CD GLN A 54 -11.426 15.030 -15.283 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.285 15.415 -14.489 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.051 15.749 -16.335 1.00 0.00 N ATOM 0 H GLN A 54 -9.815 11.863 -12.774 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.622 14.070 -12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.201 11.701 -14.466 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.602 12.735 -14.665 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.784 13.845 -14.595 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.519 13.263 -16.075 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.335 15.392 -16.968 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.479 16.658 -16.510 1.00 0.00 H new ATOM 827 N LEU A 55 -12.632 11.174 -11.581 1.00 0.00 N ATOM 828 CA LEU A 55 -13.728 10.465 -10.930 1.00 0.00 C ATOM 829 C LEU A 55 -14.084 11.117 -9.598 1.00 0.00 C ATOM 830 O LEU A 55 -15.259 11.309 -9.284 1.00 0.00 O ATOM 831 CB LEU A 55 -13.353 8.998 -10.710 1.00 0.00 C ATOM 832 CG LEU A 55 -13.136 8.163 -11.972 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.705 6.751 -11.611 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.401 8.137 -12.818 1.00 0.00 C ATOM 0 H LEU A 55 -11.739 10.681 -11.560 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.600 10.517 -11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.441 8.963 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.139 8.528 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.341 8.624 -12.557 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.555 6.172 -12.522 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.773 6.788 -11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.477 6.279 -11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.228 7.538 -13.712 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.216 7.700 -12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.666 9.154 -13.108 1.00 0.00 H new ATOM 846 N ILE A 56 -13.062 11.455 -8.820 1.00 0.00 N ATOM 847 CA ILE A 56 -13.267 12.089 -7.523 1.00 0.00 C ATOM 848 C ILE A 56 -13.736 13.531 -7.684 1.00 0.00 C ATOM 849 O ILE A 56 -14.776 13.920 -7.152 1.00 0.00 O ATOM 850 CB ILE A 56 -11.980 12.071 -6.678 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.381 10.663 -6.650 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.267 12.558 -5.265 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.878 10.648 -6.482 1.00 0.00 C ATOM 0 H ILE A 56 -12.084 11.301 -9.065 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.037 11.514 -7.009 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.255 12.745 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.835 10.100 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.640 10.148 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.347 12.539 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.653 13.577 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.007 11.907 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.523 9.617 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.414 11.183 -7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.612 11.133 -5.543 1.00 0.00 H new ATOM 865 N VAL A 57 -12.963 14.320 -8.423 1.00 0.00 N ATOM 866 CA VAL A 57 -13.300 15.719 -8.657 1.00 0.00 C ATOM 867 C VAL A 57 -14.717 15.859 -9.203 1.00 0.00 C ATOM 868 O VAL A 57 -15.548 16.561 -8.629 1.00 0.00 O ATOM 869 CB VAL A 57 -12.315 16.377 -9.641 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.775 17.782 -9.998 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.912 16.400 -9.054 1.00 0.00 C ATOM 0 H VAL A 57 -12.099 14.014 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.233 16.226 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.292 15.785 -10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.067 18.231 -10.694 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.760 17.735 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.829 18.388 -9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.229 16.868 -9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.916 16.968 -8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.584 15.380 -8.854 1.00 0.00 H new ATOM 881 N GLY A 58 -14.985 15.185 -10.317 1.00 0.00 N ATOM 882 CA GLY A 58 -16.302 15.246 -10.923 1.00 0.00 C ATOM 883 C GLY A 58 -17.411 14.969 -9.928 1.00 0.00 C ATOM 884 O GLY A 58 -18.513 15.505 -10.051 1.00 0.00 O ATOM 0 H GLY A 58 -14.313 14.598 -10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.451 16.232 -11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.358 14.522 -11.736 1.00 0.00 H new ATOM 888 N TRP A 59 -17.122 14.130 -8.940 1.00 0.00 N ATOM 889 CA TRP A 59 -18.105 13.781 -7.921 1.00 0.00 C ATOM 890 C TRP A 59 -18.379 14.966 -7.002 1.00 0.00 C ATOM 891 O TRP A 59 -19.490 15.497 -6.972 1.00 0.00 O ATOM 892 CB TRP A 59 -17.617 12.586 -7.100 1.00 0.00 C ATOM 893 CG TRP A 59 -18.558 12.197 -6.000 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.820 12.900 -4.859 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.360 11.012 -5.937 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.736 12.223 -4.090 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.084 11.063 -4.730 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.538 9.915 -6.784 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.969 10.058 -4.351 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.417 8.918 -6.406 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.124 8.995 -5.199 1.00 0.00 C ATOM 0 H TRP A 59 -16.215 13.679 -8.823 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.034 13.512 -8.424 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.473 11.733 -7.763 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.644 12.823 -6.669 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.373 13.848 -4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.098 12.534 -3.189 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.998 9.848 -7.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.514 10.115 -3.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.561 8.065 -7.052 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.805 8.200 -4.932 1.00 0.00 H new ATOM 912 N ARG A 60 -17.361 15.377 -6.253 1.00 0.00 N ATOM 913 CA ARG A 60 -17.494 16.500 -5.332 1.00 0.00 C ATOM 914 C ARG A 60 -18.086 17.715 -6.038 1.00 0.00 C ATOM 915 O ARG A 60 -18.884 18.453 -5.461 1.00 0.00 O ATOM 916 CB ARG A 60 -16.133 16.858 -4.731 1.00 0.00 C ATOM 917 CG ARG A 60 -15.021 16.964 -5.762 1.00 0.00 C ATOM 918 CD ARG A 60 -13.675 17.223 -5.104 1.00 0.00 C ATOM 919 NE ARG A 60 -13.423 18.649 -4.914 1.00 0.00 N ATOM 920 CZ ARG A 60 -13.859 19.339 -3.867 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.565 18.737 -2.919 1.00 0.00 N ATOM 922 NH2 ARG A 60 -13.590 20.634 -3.765 1.00 0.00 N ATOM 0 H ARG A 60 -16.435 14.949 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.170 16.202 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.217 17.807 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.862 16.104 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.972 16.043 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.247 17.769 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.640 16.717 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.883 16.794 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.882 19.142 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.774 17.741 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.899 19.270 -2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.047 21.101 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.926 21.163 -2.960 1.00 0.00 H new ATOM 936 N GLU A 61 -17.689 17.917 -7.291 1.00 0.00 N ATOM 937 CA GLU A 61 -18.179 19.045 -8.075 1.00 0.00 C ATOM 938 C GLU A 61 -19.695 19.173 -7.953 1.00 0.00 C ATOM 939 O GLU A 61 -20.231 20.278 -7.864 1.00 0.00 O ATOM 940 CB GLU A 61 -17.786 18.882 -9.544 1.00 0.00 C ATOM 941 CG GLU A 61 -16.437 19.492 -9.885 1.00 0.00 C ATOM 942 CD GLU A 61 -16.540 20.951 -10.285 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.875 21.222 -11.457 1.00 0.00 O ATOM 944 OE2 GLU A 61 -16.286 21.821 -9.426 1.00 0.00 O ATOM 0 H GLU A 61 -17.030 17.315 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.722 19.954 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.768 17.820 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.551 19.342 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.774 19.401 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.983 18.927 -10.699 1.00 0.00 H new ATOM 951 N LEU A 62 -20.381 18.035 -7.952 1.00 0.00 N ATOM 952 CA LEU A 62 -21.835 18.018 -7.842 1.00 0.00 C ATOM 953 C LEU A 62 -22.270 17.769 -6.402 1.00 0.00 C ATOM 954 O LEU A 62 -23.093 18.503 -5.854 1.00 0.00 O ATOM 955 CB LEU A 62 -22.423 16.943 -8.758 1.00 0.00 C ATOM 956 CG LEU A 62 -22.488 17.290 -10.246 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.476 16.026 -11.090 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.725 18.123 -10.546 1.00 0.00 C ATOM 0 H LEU A 62 -19.953 17.112 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.209 18.994 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.833 16.034 -8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.432 16.714 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.607 17.880 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.523 16.293 -12.146 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.560 15.468 -10.897 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.337 15.409 -10.833 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.755 18.361 -11.609 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.618 17.559 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.690 19.047 -9.969 1.00 0.00 H new ATOM 970 N HIS A 63 -21.710 16.729 -5.791 1.00 0.00 N ATOM 971 CA HIS A 63 -22.038 16.384 -4.413 1.00 0.00 C ATOM 972 C HIS A 63 -21.565 17.472 -3.453 1.00 0.00 C ATOM 973 O HIS A 63 -22.362 18.054 -2.718 1.00 0.00 O ATOM 974 CB HIS A 63 -21.403 15.045 -4.035 1.00 0.00 C ATOM 975 CG HIS A 63 -22.096 13.863 -4.639 1.00 0.00 C ATOM 976 ND1 HIS A 63 -21.942 13.266 -5.844 1.00 0.00 N flip ATOM 977 CD2 HIS A 63 -23.083 13.154 -3.986 1.00 0.00 C flip ATOM 978 CE1 HIS A 63 -22.828 12.218 -5.896 1.00 0.00 C flip ATOM 979 NE2 HIS A 63 -23.504 12.172 -4.762 1.00 0.00 N flip ATOM 0 H HIS A 63 -21.027 16.111 -6.229 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.122 16.300 -4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.360 15.045 -4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.408 14.943 -2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -23.454 13.369 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -22.952 11.541 -6.729 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -24.228 11.493 -4.526 1.00 0.00 H new ATOM 988 N GLY A 64 -20.263 17.742 -3.467 1.00 0.00 N ATOM 989 CA GLY A 64 -19.708 18.760 -2.593 1.00 0.00 C ATOM 990 C GLY A 64 -18.418 18.315 -1.933 1.00 0.00 C ATOM 991 O GLY A 64 -17.727 17.416 -2.413 1.00 0.00 O ATOM 0 H GLY A 64 -19.583 17.275 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.524 19.668 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.438 19.012 -1.824 1.00 0.00 H new ATOM 995 N PRO A 65 -18.074 18.955 -0.805 1.00 0.00 N ATOM 996 CA PRO A 65 -16.856 18.638 -0.055 1.00 0.00 C ATOM 997 C PRO A 65 -16.932 17.275 0.625 1.00 0.00 C ATOM 998 O PRO A 65 -18.013 16.808 0.982 1.00 0.00 O ATOM 999 CB PRO A 65 -16.782 19.754 0.990 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.193 20.201 1.167 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.850 20.037 -0.176 1.00 0.00 C ATOM 0 HA PRO A 65 -15.981 18.584 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.361 19.391 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.147 20.572 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.700 19.604 1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.235 21.239 1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.903 19.772 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.805 20.956 -0.760 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.777 16.642 0.803 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.713 15.332 1.440 1.00 0.00 C ATOM 1011 C PHE A 66 -15.552 15.470 2.951 1.00 0.00 C ATOM 1012 O PHE A 66 -14.521 15.936 3.437 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.553 14.518 0.864 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.729 14.164 -0.585 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.801 13.387 -0.996 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.825 14.608 -1.535 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.965 13.059 -2.328 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -13.985 14.284 -2.870 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.057 13.509 -3.266 1.00 0.00 C ATOM 0 H PHE A 66 -14.873 17.015 0.515 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.649 14.811 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.629 15.084 0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.441 13.601 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.516 13.034 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -12.985 15.214 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.803 12.451 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.273 14.637 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.185 13.255 -4.308 1.00 0.00 H new ATOM 1029 N SER A 67 -16.579 15.062 3.689 1.00 0.00 N ATOM 1030 CA SER A 67 -16.554 15.143 5.145 1.00 0.00 C ATOM 1031 C SER A 67 -15.359 14.383 5.712 1.00 0.00 C ATOM 1032 O SER A 67 -14.870 14.695 6.797 1.00 0.00 O ATOM 1033 CB SER A 67 -17.853 14.584 5.730 1.00 0.00 C ATOM 1034 OG SER A 67 -18.960 15.397 5.383 1.00 0.00 O ATOM 0 H SER A 67 -17.439 14.672 3.303 1.00 0.00 H new ATOM 0 HA SER A 67 -16.460 16.192 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.014 13.570 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.770 14.522 6.815 1.00 0.00 H new ATOM 0 HG SER A 67 -19.778 15.018 5.767 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.895 13.384 4.968 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.758 12.578 5.396 1.00 0.00 C ATOM 1042 C GLN A 68 -13.244 11.710 4.252 1.00 0.00 C ATOM 1043 O GLN A 68 -14.004 11.317 3.367 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.148 11.697 6.584 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.055 10.536 6.209 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.986 10.135 7.336 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -16.043 8.840 7.625 1.00 0.00 O flip ATOM 1048 NE2 GLN A 68 -16.648 10.979 7.941 1.00 0.00 N flip ATOM 0 H GLN A 68 -15.289 13.114 4.067 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.960 13.255 5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.243 11.305 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.649 12.311 7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.646 10.809 5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.444 9.679 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.574 11.964 7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.270 10.693 8.697 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.948 11.415 4.276 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.332 10.593 3.241 1.00 0.00 C ATOM 1059 C VAL A 69 -12.140 9.325 2.993 1.00 0.00 C ATOM 1060 O VAL A 69 -12.231 8.847 1.863 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.890 10.205 3.617 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.159 9.632 2.412 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.145 11.405 4.182 1.00 0.00 C ATOM 0 H VAL A 69 -11.305 11.733 5.001 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.313 11.192 2.330 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.929 9.435 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.142 9.364 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.682 8.744 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.128 10.377 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.128 11.112 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.114 12.199 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.658 11.765 5.074 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.726 8.785 4.057 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.527 7.571 3.954 1.00 0.00 C ATOM 1075 C GLU A 70 -14.487 7.651 2.770 1.00 0.00 C ATOM 1076 O GLU A 70 -14.861 6.631 2.191 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.312 7.340 5.247 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.758 5.901 5.440 1.00 0.00 C ATOM 1079 CD GLU A 70 -13.605 4.972 5.768 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -12.887 4.563 4.832 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -13.421 4.654 6.962 1.00 0.00 O ATOM 0 H GLU A 70 -12.661 9.169 5.000 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.850 6.732 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.695 7.637 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.189 7.987 5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.494 5.857 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.253 5.553 4.533 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.880 8.870 2.417 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.796 9.084 1.303 1.00 0.00 C ATOM 1090 C ASP A 71 -15.271 8.421 0.033 1.00 0.00 C ATOM 1091 O ASP A 71 -16.031 7.813 -0.722 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.000 10.581 1.064 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.336 10.887 0.416 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.533 10.491 -0.752 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.184 11.523 1.076 1.00 0.00 O ATOM 0 H ASP A 71 -14.579 9.724 2.886 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.753 8.630 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.931 11.110 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.197 10.957 0.430 1.00 0.00 H new ATOM 1100 N LEU A 72 -13.969 8.542 -0.197 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.342 7.955 -1.376 1.00 0.00 C ATOM 1102 C LEU A 72 -13.847 6.535 -1.611 1.00 0.00 C ATOM 1103 O LEU A 72 -13.884 6.060 -2.746 1.00 0.00 O ATOM 1104 CB LEU A 72 -11.820 7.947 -1.219 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.114 9.281 -1.462 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.606 9.114 -1.358 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.496 9.847 -2.822 1.00 0.00 C ATOM 0 H LEU A 72 -13.326 9.042 0.418 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.609 8.564 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.580 7.610 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.407 7.210 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.435 9.985 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.121 10.074 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.348 8.754 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.267 8.394 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.984 10.797 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.204 9.145 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.574 10.005 -2.861 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.238 5.865 -0.532 1.00 0.00 N ATOM 1120 CA GLU A 73 -14.742 4.500 -0.622 1.00 0.00 C ATOM 1121 C GLU A 73 -16.016 4.445 -1.461 1.00 0.00 C ATOM 1122 O GLU A 73 -16.176 3.567 -2.309 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.015 3.940 0.776 1.00 0.00 C ATOM 1124 CG GLU A 73 -13.760 3.746 1.609 1.00 0.00 C ATOM 1125 CD GLU A 73 -13.945 2.724 2.714 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -15.085 2.576 3.201 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -12.949 2.073 3.092 1.00 0.00 O ATOM 0 H GLU A 73 -14.215 6.245 0.414 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.980 3.890 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.690 4.614 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.529 2.984 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.943 3.430 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.468 4.700 2.047 1.00 0.00 H new ATOM 1134 N ARG A 74 -16.919 5.389 -1.218 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.179 5.448 -1.949 1.00 0.00 C ATOM 1136 C ARG A 74 -18.037 6.298 -3.209 1.00 0.00 C ATOM 1137 O ARG A 74 -18.930 7.074 -3.550 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.284 6.018 -1.058 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.023 7.444 -0.601 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.308 8.137 -0.175 1.00 0.00 C ATOM 1141 NE ARG A 74 -20.808 7.627 1.099 1.00 0.00 N ATOM 1142 CZ ARG A 74 -20.330 8.003 2.280 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -19.346 8.888 2.349 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -20.838 7.494 3.395 1.00 0.00 N ATOM 0 H ARG A 74 -16.802 6.124 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.447 4.433 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.229 5.987 -1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.398 5.380 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.319 7.437 0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.556 8.006 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.131 9.209 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.067 7.998 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.566 6.945 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.954 9.282 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.981 9.175 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.596 6.813 3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.470 7.783 4.301 1.00 0.00 H new ATOM 1158 N VAL A 75 -16.909 6.145 -3.895 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.651 6.898 -5.117 1.00 0.00 C ATOM 1160 C VAL A 75 -16.400 5.963 -6.295 1.00 0.00 C ATOM 1161 O VAL A 75 -15.418 5.222 -6.314 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.440 7.835 -4.953 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.022 8.408 -6.299 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.758 8.948 -3.966 1.00 0.00 C ATOM 0 H VAL A 75 -16.160 5.507 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.540 7.497 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.606 7.256 -4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.165 9.068 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.751 7.595 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.850 8.973 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.891 9.601 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.606 9.527 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.004 8.515 -2.996 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.296 6.004 -7.277 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.171 5.160 -8.459 1.00 0.00 C ATOM 1176 C GLU A 76 -15.706 4.964 -8.836 1.00 0.00 C ATOM 1177 O GLU A 76 -14.899 5.887 -8.736 1.00 0.00 O ATOM 1178 CB GLU A 76 -17.934 5.775 -9.635 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.814 4.976 -10.922 1.00 0.00 C ATOM 1180 CD GLU A 76 -18.991 5.192 -11.854 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -20.081 4.654 -11.565 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.823 5.897 -12.870 1.00 0.00 O ATOM 0 H GLU A 76 -18.115 6.612 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.601 4.186 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.987 5.862 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.564 6.786 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.893 5.255 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.736 3.916 -10.681 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.369 3.753 -9.270 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.001 3.456 -9.654 1.00 0.00 C ATOM 1191 C GLY A 77 -13.107 3.191 -8.459 1.00 0.00 C ATOM 1192 O GLY A 77 -12.313 2.250 -8.467 1.00 0.00 O ATOM 0 H GLY A 77 -16.019 2.972 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.992 2.586 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.598 4.291 -10.227 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.236 4.022 -7.430 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.432 3.872 -6.223 1.00 0.00 C ATOM 1198 C ILE A 78 -13.214 3.154 -5.128 1.00 0.00 C ATOM 1199 O ILE A 78 -13.875 3.788 -4.304 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.958 5.236 -5.689 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.332 6.060 -6.817 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.965 5.044 -4.553 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.257 7.540 -6.514 1.00 0.00 C ATOM 0 H ILE A 78 -13.889 4.805 -7.408 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.561 3.276 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.821 5.779 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.327 5.686 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.912 5.913 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.639 6.017 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.441 4.492 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.102 4.485 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.803 8.061 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.261 7.928 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.653 7.698 -5.621 1.00 0.00 H new ATOM 1215 N THR A 79 -13.134 1.827 -5.123 1.00 0.00 N ATOM 1216 CA THR A 79 -13.833 1.023 -4.129 1.00 0.00 C ATOM 1217 C THR A 79 -13.313 1.309 -2.725 1.00 0.00 C ATOM 1218 O THR A 79 -12.478 2.192 -2.530 1.00 0.00 O ATOM 1219 CB THR A 79 -13.688 -0.482 -4.422 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.456 -1.241 -3.480 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.229 -0.909 -4.355 1.00 0.00 C ATOM 0 H THR A 79 -12.592 1.286 -5.797 1.00 0.00 H new ATOM 0 HA THR A 79 -14.887 1.297 -4.185 1.00 0.00 H new ATOM 0 HB THR A 79 -14.059 -0.671 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.360 -2.197 -3.674 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.152 -1.976 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.652 -0.351 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.836 -0.706 -3.359 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.810 0.555 -1.749 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.382 0.743 -0.375 1.00 0.00 C ATOM 1231 C GLY A 80 -11.907 0.450 -0.182 1.00 0.00 C ATOM 1232 O GLY A 80 -11.209 1.181 0.521 1.00 0.00 O ATOM 0 H GLY A 80 -14.501 -0.183 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.588 1.769 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.967 0.094 0.277 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.432 -0.622 -0.807 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.030 -1.010 -0.700 1.00 0.00 C ATOM 1238 C LYS A 81 -9.144 -0.079 -1.521 1.00 0.00 C ATOM 1239 O LYS A 81 -8.083 0.346 -1.062 1.00 0.00 O ATOM 1240 CB LYS A 81 -9.843 -2.455 -1.170 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.331 -3.488 -0.170 1.00 0.00 C ATOM 1242 CD LYS A 81 -11.822 -3.745 -0.316 1.00 0.00 C ATOM 1243 CE LYS A 81 -12.238 -5.027 0.390 1.00 0.00 C ATOM 1244 NZ LYS A 81 -11.859 -6.238 -0.390 1.00 0.00 N ATOM 0 H LYS A 81 -11.997 -1.237 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.736 -0.933 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.375 -2.594 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.786 -2.628 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.785 -4.420 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.117 -3.145 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.379 -2.904 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.079 -3.810 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.771 -5.068 1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.316 -5.020 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.262 -7.083 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.227 -6.156 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.823 -6.322 -0.419 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.586 0.235 -2.734 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.832 1.117 -3.617 1.00 0.00 C ATOM 1260 C GLN A 82 -8.224 2.278 -2.837 1.00 0.00 C ATOM 1261 O GLN A 82 -7.004 2.431 -2.782 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.734 1.652 -4.730 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.755 0.774 -5.971 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.670 1.142 -6.965 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -8.932 1.804 -7.969 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.444 0.713 -6.689 1.00 0.00 N ATOM 0 H GLN A 82 -10.462 -0.108 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.022 0.538 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.750 1.750 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.400 2.652 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.634 -0.268 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.729 0.858 -6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.273 0.167 -5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.673 0.930 -7.321 1.00 0.00 H new ATOM 1275 N MET A 83 -9.083 3.095 -2.236 1.00 0.00 N ATOM 1276 CA MET A 83 -8.630 4.242 -1.458 1.00 0.00 C ATOM 1277 C MET A 83 -7.740 3.798 -0.302 1.00 0.00 C ATOM 1278 O MET A 83 -6.674 4.369 -0.073 1.00 0.00 O ATOM 1279 CB MET A 83 -9.829 5.027 -0.921 1.00 0.00 C ATOM 1280 CG MET A 83 -10.746 4.203 -0.032 1.00 0.00 C ATOM 1281 SD MET A 83 -10.276 4.273 1.707 1.00 0.00 S ATOM 1282 CE MET A 83 -10.630 5.988 2.084 1.00 0.00 C ATOM 0 H MET A 83 -10.096 2.984 -2.273 1.00 0.00 H new ATOM 0 HA MET A 83 -8.047 4.887 -2.115 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.467 5.887 -0.358 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.404 5.416 -1.761 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.770 4.561 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.733 3.166 -0.366 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.561 6.146 3.160 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.909 6.628 1.577 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.636 6.235 1.745 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.184 2.776 0.423 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.427 2.257 1.556 1.00 0.00 C ATOM 1294 C GLU A 84 -5.962 2.050 1.182 1.00 0.00 C ATOM 1295 O GLU A 84 -5.060 2.420 1.934 1.00 0.00 O ATOM 1296 CB GLU A 84 -8.032 0.938 2.041 1.00 0.00 C ATOM 1297 CG GLU A 84 -9.147 1.118 3.057 1.00 0.00 C ATOM 1298 CD GLU A 84 -9.320 -0.093 3.954 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -9.455 -1.213 3.418 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -9.320 0.080 5.191 1.00 0.00 O ATOM 0 H GLU A 84 -9.064 2.291 0.246 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.479 2.990 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.419 0.388 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.245 0.327 2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.936 1.993 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.083 1.314 2.533 1.00 0.00 H new ATOM 1307 N SER A 85 -5.733 1.456 0.015 1.00 0.00 N ATOM 1308 CA SER A 85 -4.379 1.196 -0.458 1.00 0.00 C ATOM 1309 C SER A 85 -3.682 2.494 -0.854 1.00 0.00 C ATOM 1310 O SER A 85 -2.455 2.556 -0.929 1.00 0.00 O ATOM 1311 CB SER A 85 -4.408 0.236 -1.649 1.00 0.00 C ATOM 1312 OG SER A 85 -3.156 -0.407 -1.816 1.00 0.00 O ATOM 0 H SER A 85 -6.468 1.146 -0.620 1.00 0.00 H new ATOM 0 HA SER A 85 -3.818 0.737 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.187 -0.511 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.663 0.784 -2.556 1.00 0.00 H new ATOM 0 HG SER A 85 -3.201 -1.016 -2.582 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.475 3.530 -1.107 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.937 4.828 -1.497 1.00 0.00 C ATOM 1320 C PHE A 86 -3.504 5.627 -0.271 1.00 0.00 C ATOM 1321 O PHE A 86 -2.339 6.006 -0.142 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.978 5.618 -2.293 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.816 7.107 -2.179 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.651 7.725 -2.606 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.828 7.888 -1.647 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.500 9.095 -2.502 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.682 9.259 -1.540 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.517 9.863 -1.970 1.00 0.00 C ATOM 0 H PHE A 86 -5.493 3.496 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.063 4.657 -2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.914 5.333 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.974 5.341 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.853 7.130 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.742 7.421 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.587 9.565 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.478 9.856 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.401 10.934 -1.890 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.449 5.881 0.627 1.00 0.00 N ATOM 1339 CA LEU A 87 -4.167 6.636 1.843 1.00 0.00 C ATOM 1340 C LEU A 87 -2.816 6.240 2.428 1.00 0.00 C ATOM 1341 O LEU A 87 -2.004 7.096 2.779 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.271 6.406 2.877 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.504 7.301 2.752 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.719 6.625 3.369 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.252 8.651 3.409 1.00 0.00 C ATOM 0 H LEU A 87 -5.418 5.575 0.536 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.134 7.695 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.593 5.367 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.845 6.545 3.871 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.704 7.466 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.587 7.277 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.912 5.684 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.530 6.430 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.140 9.275 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.026 8.505 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.409 9.141 2.922 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.580 4.936 2.530 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.326 4.425 3.069 1.00 0.00 C ATOM 1359 C LYS A 88 -0.136 4.945 2.268 1.00 0.00 C ATOM 1360 O LYS A 88 0.900 5.292 2.833 1.00 0.00 O ATOM 1361 CB LYS A 88 -1.329 2.894 3.061 1.00 0.00 C ATOM 1362 CG LYS A 88 -0.022 2.281 3.532 1.00 0.00 C ATOM 1363 CD LYS A 88 -0.109 0.765 3.594 1.00 0.00 C ATOM 1364 CE LYS A 88 0.145 0.135 2.233 1.00 0.00 C ATOM 1365 NZ LYS A 88 0.252 -1.347 2.319 1.00 0.00 N ATOM 0 H LYS A 88 -3.242 4.214 2.246 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.232 4.777 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.138 2.537 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.541 2.545 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.782 2.573 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.231 2.673 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.618 0.387 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.095 0.471 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.664 0.402 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.064 0.541 1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.425 -1.738 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.040 -1.602 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.634 -1.738 2.698 1.00 0.00 H new ATOM 1379 N ALA A 89 -0.295 4.997 0.949 1.00 0.00 N ATOM 1380 CA ALA A 89 0.765 5.478 0.071 1.00 0.00 C ATOM 1381 C ALA A 89 1.297 6.827 0.542 1.00 0.00 C ATOM 1382 O ALA A 89 2.460 6.946 0.926 1.00 0.00 O ATOM 1383 CB ALA A 89 0.259 5.578 -1.360 1.00 0.00 C ATOM 0 H ALA A 89 -1.147 4.712 0.466 1.00 0.00 H new ATOM 0 HA ALA A 89 1.586 4.761 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.060 5.938 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.066 4.595 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.580 6.272 -1.402 1.00 0.00 H new ATOM 1389 N ASN A 90 0.439 7.841 0.508 1.00 0.00 N ATOM 1390 CA ASN A 90 0.825 9.183 0.930 1.00 0.00 C ATOM 1391 C ASN A 90 1.081 9.228 2.434 1.00 0.00 C ATOM 1392 O ASN A 90 2.098 9.754 2.885 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.265 10.190 0.557 1.00 0.00 C ATOM 1394 CG ASN A 90 0.294 11.576 0.295 1.00 0.00 C ATOM 1395 OD1 ASN A 90 1.505 11.790 0.352 1.00 0.00 O ATOM 1396 ND2 ASN A 90 -0.589 12.524 0.006 1.00 0.00 N ATOM 0 H ASN A 90 -0.528 7.759 0.193 1.00 0.00 H new ATOM 0 HA ASN A 90 1.748 9.448 0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.791 9.840 -0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.998 10.243 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.273 13.476 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.584 12.301 -0.030 1.00 0.00 H new ATOM 1403 N ILE A 91 0.151 8.672 3.203 1.00 0.00 N ATOM 1404 CA ILE A 91 0.276 8.648 4.655 1.00 0.00 C ATOM 1405 C ILE A 91 1.644 8.124 5.079 1.00 0.00 C ATOM 1406 O ILE A 91 2.454 8.859 5.647 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.817 7.776 5.300 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -2.165 8.499 5.263 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.438 7.423 6.731 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.292 7.709 5.890 1.00 0.00 C ATOM 0 H ILE A 91 -0.697 8.232 2.845 1.00 0.00 H new ATOM 0 HA ILE A 91 0.159 9.676 4.999 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.906 6.851 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.070 9.454 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.421 8.721 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.221 6.806 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.503 6.872 6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.324 8.337 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.217 8.283 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.414 6.765 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.058 7.509 6.936 1.00 0.00 H new ATOM 1422 N LEU A 92 1.897 6.850 4.799 1.00 0.00 N ATOM 1423 CA LEU A 92 3.169 6.227 5.150 1.00 0.00 C ATOM 1424 C LEU A 92 4.326 6.908 4.426 1.00 0.00 C ATOM 1425 O LEU A 92 5.385 7.140 5.008 1.00 0.00 O ATOM 1426 CB LEU A 92 3.142 4.737 4.805 1.00 0.00 C ATOM 1427 CG LEU A 92 2.280 3.855 5.708 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.472 2.387 5.361 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.612 4.106 7.172 1.00 0.00 C ATOM 0 H LEU A 92 1.238 6.228 4.330 1.00 0.00 H new ATOM 0 HA LEU A 92 3.318 6.342 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.788 4.628 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.164 4.360 4.831 1.00 0.00 H new ATOM 0 HG LEU A 92 1.234 4.112 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.850 1.774 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.185 2.218 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.519 2.115 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.989 3.470 7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.662 3.876 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.423 5.152 7.414 1.00 0.00 H new ATOM 1441 N GLY A 93 4.116 7.227 3.152 1.00 0.00 N ATOM 1442 CA GLY A 93 5.149 7.880 2.371 1.00 0.00 C ATOM 1443 C GLY A 93 5.630 9.170 3.006 1.00 0.00 C ATOM 1444 O GLY A 93 6.823 9.474 2.986 1.00 0.00 O ATOM 0 H GLY A 93 3.248 7.044 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.993 7.201 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.766 8.091 1.373 1.00 0.00 H new ATOM 1448 N LEU A 94 4.699 9.931 3.570 1.00 0.00 N ATOM 1449 CA LEU A 94 5.033 11.198 4.213 1.00 0.00 C ATOM 1450 C LEU A 94 6.225 11.034 5.150 1.00 0.00 C ATOM 1451 O LEU A 94 7.181 11.808 5.096 1.00 0.00 O ATOM 1452 CB LEU A 94 3.828 11.731 4.990 1.00 0.00 C ATOM 1453 CG LEU A 94 2.876 12.639 4.211 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.475 12.573 4.800 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.388 14.072 4.207 1.00 0.00 C ATOM 0 H LEU A 94 3.707 9.694 3.595 1.00 0.00 H new ATOM 0 HA LEU A 94 5.301 11.913 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.260 10.881 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.194 12.281 5.857 1.00 0.00 H new ATOM 0 HG LEU A 94 2.832 12.288 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.811 13.225 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.107 11.548 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.502 12.898 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.698 14.704 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.462 14.435 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.371 14.106 3.738 1.00 0.00 H new