USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 537 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 39 GLN : amide:sc= -0.422 K(o=-0.81,f=-2.6) USER MOD Set 1.2: A 89 MET CE :methyl 142:sc= -0.391 (180deg=-1.38) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -21:sc= 0.733 USER MOD Single : A 45 THR OG1 : rot 78:sc= 0.646 USER MOD Single : A 46 SER OG : rot 108:sc= 1.04 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 94:sc= 1.21 USER MOD Single : A 56 GLN : amide:sc= -6.43! C(o=-6.4!,f=-8.7!) USER MOD Single : A 64 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.033) USER MOD Single : A 66 MET CE :methyl 180:sc= -0.0484 (180deg=-0.0484) USER MOD Single : A 86 MET CE :methyl -147:sc= -2.22 (180deg=-3.31!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 90 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -6.391 12.737 1.739 1.00 0.00 N ATOM 127 CA VAL A 9 -5.537 11.568 1.885 1.00 0.00 C ATOM 128 C VAL A 9 -5.204 11.298 3.345 1.00 0.00 C ATOM 129 O VAL A 9 -5.298 12.184 4.193 1.00 0.00 O ATOM 130 CB VAL A 9 -4.221 11.740 1.103 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.474 12.975 1.585 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.349 10.497 1.237 1.00 0.00 C ATOM 0 HA VAL A 9 -6.094 10.722 1.482 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.462 11.874 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.547 13.082 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.095 13.858 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.245 12.871 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.424 10.639 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.115 10.329 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.883 9.633 0.841 1.00 0.00 H new ATOM 142 N GLY A 10 -4.808 10.064 3.623 1.00 0.00 N ATOM 143 CA GLY A 10 -4.394 9.698 4.957 1.00 0.00 C ATOM 144 C GLY A 10 -2.884 9.586 5.027 1.00 0.00 C ATOM 145 O GLY A 10 -2.252 10.105 5.947 1.00 0.00 O ATOM 0 H GLY A 10 -4.767 9.307 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.744 10.444 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.849 8.749 5.239 1.00 0.00 H new ATOM 149 N TRP A 11 -2.305 8.957 4.003 1.00 0.00 N ATOM 150 CA TRP A 11 -0.857 8.885 3.862 1.00 0.00 C ATOM 151 C TRP A 11 -0.351 10.271 3.489 1.00 0.00 C ATOM 152 O TRP A 11 -0.798 10.830 2.492 1.00 0.00 O ATOM 153 CB TRP A 11 -0.482 7.872 2.768 1.00 0.00 C ATOM 154 CG TRP A 11 0.985 7.843 2.471 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.897 6.952 2.957 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.716 8.761 1.648 1.00 0.00 C ATOM 157 NE1 TRP A 11 3.150 7.254 2.484 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.061 8.350 1.662 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.363 9.878 0.887 1.00 0.00 C ATOM 160 CZ2 TRP A 11 4.055 9.041 0.971 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.348 10.552 0.191 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.681 10.132 0.238 1.00 0.00 C ATOM 0 H TRP A 11 -2.822 8.490 3.258 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.403 8.557 4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.804 6.877 3.077 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.027 8.114 1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.667 6.129 3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.007 6.747 2.707 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.336 10.210 0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.087 8.725 1.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.084 11.417 -0.399 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.429 10.680 -0.315 1.00 0.00 H new ATOM 173 N ASP A 12 0.450 10.906 4.340 1.00 0.00 N ATOM 174 CA ASP A 12 0.836 12.285 4.025 1.00 0.00 C ATOM 175 C ASP A 12 2.122 12.806 4.673 1.00 0.00 C ATOM 176 O ASP A 12 2.059 13.698 5.520 1.00 0.00 O ATOM 177 CB ASP A 12 -0.316 13.223 4.395 1.00 0.00 C ATOM 178 CG ASP A 12 -0.643 13.180 5.874 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.269 12.191 6.537 1.00 0.00 O ATOM 180 OD2 ASP A 12 -1.275 14.137 6.370 1.00 0.00 O ATOM 0 H ASP A 12 0.828 10.520 5.205 1.00 0.00 H new ATOM 0 HA ASP A 12 1.050 12.270 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.055 14.243 4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.202 12.950 3.822 1.00 0.00 H new ATOM 185 N PRO A 13 3.302 12.447 4.139 1.00 0.00 N ATOM 186 CA PRO A 13 3.490 11.476 3.093 1.00 0.00 C ATOM 187 C PRO A 13 4.102 10.182 3.652 1.00 0.00 C ATOM 188 O PRO A 13 3.376 9.298 4.107 1.00 0.00 O ATOM 189 CB PRO A 13 4.468 12.207 2.187 1.00 0.00 C ATOM 190 CG PRO A 13 5.226 13.115 3.110 1.00 0.00 C ATOM 191 CD PRO A 13 4.601 12.987 4.489 1.00 0.00 C ATOM 0 HA PRO A 13 2.573 11.161 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.135 11.511 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.947 12.772 1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.280 12.839 3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.176 14.146 2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.166 12.320 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.527 13.946 5.002 1.00 0.00 H new ATOM 199 N GLN A 14 5.441 10.106 3.694 1.00 0.00 N ATOM 200 CA GLN A 14 6.127 8.934 4.220 1.00 0.00 C ATOM 201 C GLN A 14 5.936 8.794 5.729 1.00 0.00 C ATOM 202 O GLN A 14 6.332 7.785 6.313 1.00 0.00 O ATOM 203 CB GLN A 14 7.620 9.007 3.893 1.00 0.00 C ATOM 204 CG GLN A 14 7.917 9.013 2.402 1.00 0.00 C ATOM 205 CD GLN A 14 8.813 10.167 1.990 1.00 0.00 C ATOM 206 OE1 GLN A 14 9.969 10.248 2.403 1.00 0.00 O ATOM 207 NE2 GLN A 14 8.281 11.064 1.168 1.00 0.00 N ATOM 0 H GLN A 14 6.063 10.846 3.368 1.00 0.00 H new ATOM 0 HA GLN A 14 5.689 8.057 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.038 9.908 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.126 8.158 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.393 8.072 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.980 9.070 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.318 10.957 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.836 11.860 0.854 1.00 0.00 H new ATOM 216 N ASN A 15 5.322 9.798 6.366 1.00 0.00 N ATOM 217 CA ASN A 15 5.061 9.746 7.805 1.00 0.00 C ATOM 218 C ASN A 15 4.515 8.377 8.184 1.00 0.00 C ATOM 219 O ASN A 15 4.782 7.859 9.268 1.00 0.00 O ATOM 220 CB ASN A 15 4.070 10.839 8.208 1.00 0.00 C ATOM 221 CG ASN A 15 4.765 12.074 8.746 1.00 0.00 C ATOM 222 OD1 ASN A 15 4.286 12.713 9.683 1.00 0.00 O ATOM 223 ND2 ASN A 15 5.904 12.415 8.155 1.00 0.00 N ATOM 0 H ASN A 15 4.999 10.651 5.909 1.00 0.00 H new ATOM 0 HA ASN A 15 5.997 9.915 8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.463 11.113 7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.390 10.449 8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.419 13.236 8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.264 11.856 7.381 1.00 0.00 H new ATOM 230 N GLY A 16 3.798 7.779 7.242 1.00 0.00 N ATOM 231 CA GLY A 16 3.293 6.441 7.432 1.00 0.00 C ATOM 232 C GLY A 16 1.787 6.362 7.503 1.00 0.00 C ATOM 233 O GLY A 16 1.102 7.363 7.714 1.00 0.00 O ATOM 0 H GLY A 16 3.558 8.203 6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.642 5.811 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.713 6.031 8.351 1.00 0.00 H new ATOM 237 N PHE A 17 1.282 5.152 7.315 1.00 0.00 N ATOM 238 CA PHE A 17 -0.148 4.891 7.345 1.00 0.00 C ATOM 239 C PHE A 17 -0.780 5.431 8.623 1.00 0.00 C ATOM 240 O PHE A 17 -0.102 6.016 9.468 1.00 0.00 O ATOM 241 CB PHE A 17 -0.405 3.382 7.258 1.00 0.00 C ATOM 242 CG PHE A 17 -0.140 2.786 5.905 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.156 2.553 5.470 1.00 0.00 C ATOM 244 CD2 PHE A 17 -1.192 2.424 5.084 1.00 0.00 C ATOM 245 CE1 PHE A 17 1.395 1.987 4.232 1.00 0.00 C ATOM 246 CE2 PHE A 17 -0.959 1.863 3.847 1.00 0.00 C ATOM 247 CZ PHE A 17 0.335 1.631 3.424 1.00 0.00 C ATOM 0 H PHE A 17 1.852 4.325 7.138 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.599 5.397 6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.220 2.876 7.994 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.442 3.186 7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.988 2.817 6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.207 2.583 5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.409 1.824 3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.790 1.604 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.517 1.172 2.463 1.00 0.00 H new ATOM 257 N ASP A 18 -2.083 5.212 8.760 1.00 0.00 N ATOM 258 CA ASP A 18 -2.817 5.645 9.941 1.00 0.00 C ATOM 259 C ASP A 18 -3.420 4.441 10.660 1.00 0.00 C ATOM 260 O ASP A 18 -4.596 4.444 11.023 1.00 0.00 O ATOM 261 CB ASP A 18 -3.918 6.632 9.547 1.00 0.00 C ATOM 262 CG ASP A 18 -3.819 7.943 10.301 1.00 0.00 C ATOM 263 OD1 ASP A 18 -3.779 7.908 11.549 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.781 9.005 9.645 1.00 0.00 O ATOM 0 H ASP A 18 -2.654 4.734 8.063 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.125 6.145 10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.860 6.827 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.892 6.180 9.737 1.00 0.00 H new ATOM 269 N VAL A 19 -2.602 3.408 10.857 1.00 0.00 N ATOM 270 CA VAL A 19 -3.041 2.178 11.514 1.00 0.00 C ATOM 271 C VAL A 19 -3.950 2.465 12.709 1.00 0.00 C ATOM 272 O VAL A 19 -4.915 1.741 12.953 1.00 0.00 O ATOM 273 CB VAL A 19 -1.840 1.345 11.995 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.003 0.877 10.814 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.995 2.146 12.974 1.00 0.00 C ATOM 0 H VAL A 19 -1.624 3.399 10.568 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.603 1.615 10.769 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.217 0.463 12.512 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.159 0.290 11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.616 0.263 10.154 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.633 1.743 10.264 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.150 1.542 13.304 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.627 3.048 12.484 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.602 2.423 13.836 1.00 0.00 H new ATOM 285 N ASN A 20 -3.634 3.521 13.448 1.00 0.00 N ATOM 286 CA ASN A 20 -4.421 3.896 14.617 1.00 0.00 C ATOM 287 C ASN A 20 -5.891 4.069 14.247 1.00 0.00 C ATOM 288 O ASN A 20 -6.780 3.795 15.054 1.00 0.00 O ATOM 289 CB ASN A 20 -3.880 5.189 15.228 1.00 0.00 C ATOM 290 CG ASN A 20 -4.691 5.645 16.425 1.00 0.00 C ATOM 291 OD1 ASN A 20 -5.198 4.829 17.193 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.817 6.957 16.588 1.00 0.00 N ATOM 0 H ASN A 20 -2.840 4.132 13.259 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.341 3.095 15.352 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.844 5.039 15.530 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.881 5.974 14.471 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.352 7.324 17.375 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.379 7.598 15.926 1.00 0.00 H new ATOM 299 N ASN A 21 -6.138 4.522 13.024 1.00 0.00 N ATOM 300 CA ASN A 21 -7.500 4.727 12.543 1.00 0.00 C ATOM 301 C ASN A 21 -7.725 3.998 11.224 1.00 0.00 C ATOM 302 O ASN A 21 -8.530 4.424 10.396 1.00 0.00 O ATOM 303 CB ASN A 21 -7.779 6.221 12.367 1.00 0.00 C ATOM 304 CG ASN A 21 -8.898 6.711 13.266 1.00 0.00 C ATOM 305 OD1 ASN A 21 -10.069 6.680 12.892 1.00 0.00 O ATOM 306 ND2 ASN A 21 -8.538 7.168 14.459 1.00 0.00 N ATOM 0 H ASN A 21 -5.412 4.755 12.346 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.187 4.320 13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.871 6.785 12.582 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.039 6.419 11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.246 7.512 15.108 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.554 7.175 14.727 1.00 0.00 H new ATOM 313 N LEU A 22 -7.003 2.898 11.034 1.00 0.00 N ATOM 314 CA LEU A 22 -7.118 2.108 9.814 1.00 0.00 C ATOM 315 C LEU A 22 -8.516 1.513 9.678 1.00 0.00 C ATOM 316 O LEU A 22 -9.009 0.846 10.587 1.00 0.00 O ATOM 317 CB LEU A 22 -6.071 0.992 9.807 1.00 0.00 C ATOM 318 CG LEU A 22 -5.107 1.015 8.619 1.00 0.00 C ATOM 319 CD1 LEU A 22 -4.144 -0.160 8.692 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.877 0.998 7.307 1.00 0.00 C ATOM 0 H LEU A 22 -6.332 2.534 11.710 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.943 2.768 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.490 1.054 10.727 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.586 0.031 9.819 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.527 1.937 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.466 -0.128 7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.569 -0.102 9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.707 -1.093 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.175 1.015 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.484 0.094 7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.525 1.873 7.254 1.00 0.00 H new ATOM 332 N ASP A 23 -9.150 1.760 8.536 1.00 0.00 N ATOM 333 CA ASP A 23 -10.490 1.246 8.277 1.00 0.00 C ATOM 334 C ASP A 23 -10.475 -0.276 8.155 1.00 0.00 C ATOM 335 O ASP A 23 -9.528 -0.854 7.622 1.00 0.00 O ATOM 336 CB ASP A 23 -11.056 1.866 6.998 1.00 0.00 C ATOM 337 CG ASP A 23 -12.529 2.202 7.119 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.945 2.665 8.203 1.00 0.00 O ATOM 339 OD2 ASP A 23 -13.267 2.003 6.132 1.00 0.00 O ATOM 0 H ASP A 23 -8.757 2.313 7.775 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.127 1.518 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.498 2.772 6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.911 1.175 6.168 1.00 0.00 H new ATOM 344 N PRO A 24 -11.529 -0.947 8.652 1.00 0.00 N ATOM 345 CA PRO A 24 -11.629 -2.411 8.598 1.00 0.00 C ATOM 346 C PRO A 24 -11.479 -2.949 7.179 1.00 0.00 C ATOM 347 O PRO A 24 -10.707 -3.874 6.933 1.00 0.00 O ATOM 348 CB PRO A 24 -13.035 -2.696 9.130 1.00 0.00 C ATOM 349 CG PRO A 24 -13.374 -1.509 9.965 1.00 0.00 C ATOM 350 CD PRO A 24 -12.700 -0.338 9.306 1.00 0.00 C ATOM 0 HA PRO A 24 -10.838 -2.893 9.172 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.748 -2.823 8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.057 -3.613 9.719 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.453 -1.362 10.015 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.022 -1.638 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.355 0.150 8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.407 0.419 10.033 1.00 0.00 H new ATOM 358 N ASP A 25 -12.226 -2.362 6.249 1.00 0.00 N ATOM 359 CA ASP A 25 -12.181 -2.785 4.854 1.00 0.00 C ATOM 360 C ASP A 25 -10.744 -2.840 4.347 1.00 0.00 C ATOM 361 O ASP A 25 -10.253 -3.900 3.958 1.00 0.00 O ATOM 362 CB ASP A 25 -13.002 -1.832 3.987 1.00 0.00 C ATOM 363 CG ASP A 25 -14.409 -2.340 3.743 1.00 0.00 C ATOM 364 OD1 ASP A 25 -15.186 -2.426 4.717 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.736 -2.648 2.577 1.00 0.00 O ATOM 0 H ASP A 25 -12.869 -1.593 6.436 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.608 -3.786 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.050 -0.856 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.499 -1.690 3.031 1.00 0.00 H new ATOM 370 N LEU A 26 -10.071 -1.693 4.359 1.00 0.00 N ATOM 371 CA LEU A 26 -8.687 -1.617 3.902 1.00 0.00 C ATOM 372 C LEU A 26 -7.808 -2.579 4.691 1.00 0.00 C ATOM 373 O LEU A 26 -6.973 -3.282 4.122 1.00 0.00 O ATOM 374 CB LEU A 26 -8.157 -0.189 4.040 1.00 0.00 C ATOM 375 CG LEU A 26 -6.928 0.130 3.185 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.708 -0.615 3.703 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.189 -0.218 1.728 1.00 0.00 C ATOM 0 H LEU A 26 -10.460 -0.806 4.679 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.659 -1.902 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.955 0.506 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.910 -0.009 5.086 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.729 1.200 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.845 -0.375 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.509 -0.316 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.894 -1.688 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.305 0.015 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.414 -1.281 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.036 0.362 1.361 1.00 0.00 H new ATOM 389 N ARG A 27 -8.006 -2.614 6.004 1.00 0.00 N ATOM 390 CA ARG A 27 -7.238 -3.501 6.869 1.00 0.00 C ATOM 391 C ARG A 27 -7.288 -4.932 6.349 1.00 0.00 C ATOM 392 O ARG A 27 -6.372 -5.721 6.577 1.00 0.00 O ATOM 393 CB ARG A 27 -7.775 -3.445 8.300 1.00 0.00 C ATOM 394 CG ARG A 27 -6.732 -3.026 9.323 1.00 0.00 C ATOM 395 CD ARG A 27 -7.054 -3.572 10.704 1.00 0.00 C ATOM 396 NE ARG A 27 -6.295 -4.782 11.005 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.626 -5.641 11.964 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.699 -5.423 12.712 1.00 0.00 N ATOM 399 NH2 ARG A 27 -5.883 -6.719 12.176 1.00 0.00 N ATOM 0 H ARG A 27 -8.692 -2.038 6.492 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.201 -3.166 6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.611 -2.747 8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.165 -4.426 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.751 -3.382 9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.678 -1.938 9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.836 -2.812 11.454 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.120 -3.788 10.769 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.464 -4.980 10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.272 -4.595 12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.951 -6.084 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.057 -6.890 11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.138 -7.377 12.912 1.00 0.00 H new ATOM 413 N SER A 28 -8.370 -5.261 5.650 1.00 0.00 N ATOM 414 CA SER A 28 -8.538 -6.590 5.079 1.00 0.00 C ATOM 415 C SER A 28 -7.875 -6.672 3.710 1.00 0.00 C ATOM 416 O SER A 28 -7.464 -7.745 3.268 1.00 0.00 O ATOM 417 CB SER A 28 -10.024 -6.936 4.963 1.00 0.00 C ATOM 418 OG SER A 28 -10.575 -7.254 6.228 1.00 0.00 O ATOM 0 H SER A 28 -9.144 -4.623 5.466 1.00 0.00 H new ATOM 0 HA SER A 28 -8.059 -7.310 5.742 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.564 -6.094 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.152 -7.780 4.285 1.00 0.00 H new ATOM 0 HG SER A 28 -11.526 -7.469 6.126 1.00 0.00 H new ATOM 424 N LEU A 29 -7.771 -5.527 3.042 1.00 0.00 N ATOM 425 CA LEU A 29 -7.145 -5.460 1.729 1.00 0.00 C ATOM 426 C LEU A 29 -5.660 -5.799 1.820 1.00 0.00 C ATOM 427 O LEU A 29 -5.046 -6.212 0.836 1.00 0.00 O ATOM 428 CB LEU A 29 -7.329 -4.064 1.126 1.00 0.00 C ATOM 429 CG LEU A 29 -7.130 -3.976 -0.390 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.828 -5.132 -1.090 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.642 -2.645 -0.918 1.00 0.00 C ATOM 0 H LEU A 29 -8.114 -4.632 3.391 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.627 -6.193 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.332 -3.712 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.628 -3.382 1.608 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.063 -4.043 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.675 -5.052 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.415 -6.076 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.895 -5.098 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.493 -2.600 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.705 -2.549 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.096 -1.830 -0.442 1.00 0.00 H new ATOM 443 N PHE A 30 -5.088 -5.627 3.010 1.00 0.00 N ATOM 444 CA PHE A 30 -3.677 -5.920 3.231 1.00 0.00 C ATOM 445 C PHE A 30 -3.476 -7.392 3.575 1.00 0.00 C ATOM 446 O PHE A 30 -2.772 -8.114 2.870 1.00 0.00 O ATOM 447 CB PHE A 30 -3.124 -5.042 4.355 1.00 0.00 C ATOM 448 CG PHE A 30 -2.656 -3.695 3.887 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.774 -3.587 2.826 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.097 -2.538 4.508 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.339 -2.349 2.391 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.665 -1.297 4.080 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.785 -1.203 3.018 1.00 0.00 C ATOM 0 H PHE A 30 -5.582 -5.286 3.835 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.136 -5.703 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.896 -4.907 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.294 -5.560 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.421 -4.480 2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.787 -2.607 5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.651 -2.279 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.014 -0.402 4.574 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.447 -0.235 2.680 1.00 0.00 H new ATOM 463 N SER A 31 -4.104 -7.833 4.662 1.00 0.00 N ATOM 464 CA SER A 31 -4.000 -9.222 5.093 1.00 0.00 C ATOM 465 C SER A 31 -4.301 -10.168 3.935 1.00 0.00 C ATOM 466 O SER A 31 -3.750 -11.266 3.857 1.00 0.00 O ATOM 467 CB SER A 31 -4.962 -9.494 6.251 1.00 0.00 C ATOM 468 OG SER A 31 -4.345 -10.283 7.253 1.00 0.00 O ATOM 0 H SER A 31 -4.689 -7.249 5.259 1.00 0.00 H new ATOM 0 HA SER A 31 -2.979 -9.398 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.294 -8.549 6.681 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.850 -10.004 5.878 1.00 0.00 H new ATOM 0 HG SER A 31 -4.980 -10.441 7.982 1.00 0.00 H new ATOM 474 N ARG A 32 -5.173 -9.727 3.035 1.00 0.00 N ATOM 475 CA ARG A 32 -5.540 -10.525 1.871 1.00 0.00 C ATOM 476 C ARG A 32 -4.423 -10.518 0.834 1.00 0.00 C ATOM 477 O ARG A 32 -4.310 -11.435 0.021 1.00 0.00 O ATOM 478 CB ARG A 32 -6.832 -9.990 1.250 1.00 0.00 C ATOM 479 CG ARG A 32 -8.078 -10.325 2.054 1.00 0.00 C ATOM 480 CD ARG A 32 -9.292 -9.565 1.545 1.00 0.00 C ATOM 481 NE ARG A 32 -10.538 -10.093 2.094 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.088 -11.237 1.701 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.504 -11.967 0.760 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.222 -11.653 2.248 1.00 0.00 N ATOM 0 H ARG A 32 -5.639 -8.821 3.089 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.700 -11.552 2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.755 -8.907 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.938 -10.398 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.270 -11.397 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.910 -10.084 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.197 -8.512 1.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.324 -9.619 0.457 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.012 -9.554 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.631 -11.650 0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.927 -12.845 0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.674 -11.095 2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.642 -12.531 1.945 1.00 0.00 H new ATOM 498 N ALA A 33 -3.595 -9.476 0.869 1.00 0.00 N ATOM 499 CA ALA A 33 -2.488 -9.347 -0.071 1.00 0.00 C ATOM 500 C ALA A 33 -1.185 -9.859 0.536 1.00 0.00 C ATOM 501 O ALA A 33 -0.262 -10.239 -0.184 1.00 0.00 O ATOM 502 CB ALA A 33 -2.335 -7.898 -0.508 1.00 0.00 C ATOM 0 H ALA A 33 -3.671 -8.710 1.538 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.714 -9.958 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.505 -7.815 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.253 -7.565 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.137 -7.274 0.364 1.00 0.00 H new ATOM 508 N GLY A 34 -1.120 -9.872 1.865 1.00 0.00 N ATOM 509 CA GLY A 34 0.074 -10.347 2.542 1.00 0.00 C ATOM 510 C GLY A 34 0.933 -9.218 3.078 1.00 0.00 C ATOM 511 O GLY A 34 2.152 -9.222 2.905 1.00 0.00 O ATOM 0 H GLY A 34 -1.870 -9.563 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.216 -11.000 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.663 -10.949 1.850 1.00 0.00 H new ATOM 515 N ILE A 35 0.300 -8.252 3.736 1.00 0.00 N ATOM 516 CA ILE A 35 1.019 -7.119 4.308 1.00 0.00 C ATOM 517 C ILE A 35 0.707 -6.969 5.792 1.00 0.00 C ATOM 518 O ILE A 35 -0.339 -7.416 6.264 1.00 0.00 O ATOM 519 CB ILE A 35 0.675 -5.804 3.582 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.900 -5.956 2.076 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.512 -4.660 4.134 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.768 -4.659 1.311 1.00 0.00 C ATOM 0 H ILE A 35 -0.709 -8.231 3.886 1.00 0.00 H new ATOM 0 HA ILE A 35 2.082 -7.321 4.180 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.377 -5.575 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.894 -6.369 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.183 -6.676 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.258 -3.738 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.309 -4.541 5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.570 -4.880 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.940 -4.843 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.234 -4.254 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.503 -3.943 1.679 1.00 0.00 H new ATOM 534 N SER A 36 1.621 -6.344 6.528 1.00 0.00 N ATOM 535 CA SER A 36 1.443 -6.149 7.962 1.00 0.00 C ATOM 536 C SER A 36 1.816 -4.730 8.378 1.00 0.00 C ATOM 537 O SER A 36 2.187 -3.904 7.544 1.00 0.00 O ATOM 538 CB SER A 36 2.286 -7.159 8.741 1.00 0.00 C ATOM 539 OG SER A 36 3.624 -7.175 8.271 1.00 0.00 O ATOM 0 H SER A 36 2.491 -5.964 6.155 1.00 0.00 H new ATOM 0 HA SER A 36 0.389 -6.305 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.272 -6.908 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.851 -8.153 8.643 1.00 0.00 H new ATOM 0 HG SER A 36 4.144 -7.827 8.786 1.00 0.00 H new ATOM 545 N GLU A 37 1.715 -4.456 9.676 1.00 0.00 N ATOM 546 CA GLU A 37 2.038 -3.138 10.209 1.00 0.00 C ATOM 547 C GLU A 37 3.457 -2.727 9.831 1.00 0.00 C ATOM 548 O GLU A 37 3.691 -1.601 9.391 1.00 0.00 O ATOM 549 CB GLU A 37 1.883 -3.131 11.731 1.00 0.00 C ATOM 550 CG GLU A 37 1.181 -1.894 12.268 1.00 0.00 C ATOM 551 CD GLU A 37 0.342 -2.187 13.495 1.00 0.00 C ATOM 552 OE1 GLU A 37 -0.651 -2.936 13.371 1.00 0.00 O ATOM 553 OE2 GLU A 37 0.678 -1.670 14.581 1.00 0.00 O ATOM 0 H GLU A 37 1.412 -5.131 10.378 1.00 0.00 H new ATOM 0 HA GLU A 37 1.344 -2.419 9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.324 -4.016 12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.870 -3.205 12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.925 -1.136 12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.544 -1.475 11.489 1.00 0.00 H new ATOM 560 N ALA A 38 4.403 -3.647 10.003 1.00 0.00 N ATOM 561 CA ALA A 38 5.801 -3.379 9.678 1.00 0.00 C ATOM 562 C ALA A 38 5.931 -2.760 8.291 1.00 0.00 C ATOM 563 O ALA A 38 6.692 -1.812 8.091 1.00 0.00 O ATOM 564 CB ALA A 38 6.619 -4.658 9.768 1.00 0.00 C ATOM 0 H ALA A 38 4.227 -4.584 10.365 1.00 0.00 H new ATOM 0 HA ALA A 38 6.188 -2.664 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.659 -4.443 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.560 -5.057 10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.225 -5.392 9.065 1.00 0.00 H new ATOM 570 N GLN A 39 5.178 -3.298 7.338 1.00 0.00 N ATOM 571 CA GLN A 39 5.199 -2.795 5.971 1.00 0.00 C ATOM 572 C GLN A 39 4.601 -1.394 5.901 1.00 0.00 C ATOM 573 O GLN A 39 5.007 -0.574 5.078 1.00 0.00 O ATOM 574 CB GLN A 39 4.420 -3.738 5.053 1.00 0.00 C ATOM 575 CG GLN A 39 5.294 -4.476 4.052 1.00 0.00 C ATOM 576 CD GLN A 39 5.017 -5.966 4.024 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.290 -6.459 3.161 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.600 -6.694 4.970 1.00 0.00 N ATOM 0 H GLN A 39 4.545 -4.084 7.488 1.00 0.00 H new ATOM 0 HA GLN A 39 6.236 -2.746 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.887 -4.467 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.668 -3.164 4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.131 -4.061 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.343 -4.310 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.195 -6.244 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.453 -7.703 5.001 1.00 0.00 H new ATOM 587 N LEU A 40 3.630 -1.132 6.768 1.00 0.00 N ATOM 588 CA LEU A 40 2.965 0.164 6.806 1.00 0.00 C ATOM 589 C LEU A 40 3.777 1.173 7.611 1.00 0.00 C ATOM 590 O LEU A 40 3.668 2.381 7.403 1.00 0.00 O ATOM 591 CB LEU A 40 1.566 0.018 7.408 1.00 0.00 C ATOM 592 CG LEU A 40 0.712 -1.091 6.788 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.475 -1.411 7.683 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.244 -0.688 5.397 1.00 0.00 C ATOM 0 H LEU A 40 3.285 -1.802 7.456 1.00 0.00 H new ATOM 0 HA LEU A 40 2.880 0.533 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.664 -0.173 8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.039 0.966 7.300 1.00 0.00 H new ATOM 0 HG LEU A 40 1.323 -1.989 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.072 -2.201 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.117 -1.743 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.089 -0.519 7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.362 -1.488 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.352 0.222 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.110 -0.510 4.759 1.00 0.00 H new ATOM 606 N THR A 41 4.596 0.671 8.526 1.00 0.00 N ATOM 607 CA THR A 41 5.422 1.535 9.359 1.00 0.00 C ATOM 608 C THR A 41 6.657 2.007 8.599 1.00 0.00 C ATOM 609 O THR A 41 7.104 3.142 8.765 1.00 0.00 O ATOM 610 CB THR A 41 5.845 0.797 10.632 1.00 0.00 C ATOM 611 OG1 THR A 41 6.667 -0.313 10.315 1.00 0.00 O ATOM 612 CG2 THR A 41 4.676 0.287 11.447 1.00 0.00 C ATOM 0 H THR A 41 4.706 -0.326 8.710 1.00 0.00 H new ATOM 0 HA THR A 41 4.830 2.409 9.631 1.00 0.00 H new ATOM 0 HB THR A 41 6.385 1.533 11.228 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.525 -0.569 9.380 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.047 -0.226 12.334 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.049 1.126 11.748 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.089 -0.407 10.846 1.00 0.00 H new ATOM 620 N ASP A 42 7.205 1.129 7.765 1.00 0.00 N ATOM 621 CA ASP A 42 8.389 1.459 6.979 1.00 0.00 C ATOM 622 C ASP A 42 8.148 2.700 6.126 1.00 0.00 C ATOM 623 O ASP A 42 7.082 2.860 5.531 1.00 0.00 O ATOM 624 CB ASP A 42 8.780 0.279 6.087 1.00 0.00 C ATOM 625 CG ASP A 42 10.269 -0.005 6.126 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.855 0.045 7.227 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.850 -0.273 5.053 1.00 0.00 O ATOM 0 H ASP A 42 6.849 0.185 7.616 1.00 0.00 H new ATOM 0 HA ASP A 42 9.206 1.669 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.235 -0.610 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.479 0.488 5.060 1.00 0.00 H new ATOM 632 N ALA A 43 9.145 3.578 6.074 1.00 0.00 N ATOM 633 CA ALA A 43 9.040 4.811 5.304 1.00 0.00 C ATOM 634 C ALA A 43 9.317 4.567 3.824 1.00 0.00 C ATOM 635 O ALA A 43 8.638 5.117 2.957 1.00 0.00 O ATOM 636 CB ALA A 43 9.997 5.858 5.854 1.00 0.00 C ATOM 0 H ALA A 43 10.035 3.458 6.557 1.00 0.00 H new ATOM 0 HA ALA A 43 8.018 5.179 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.909 6.774 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.750 6.066 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.019 5.485 5.792 1.00 0.00 H new ATOM 642 N GLU A 44 10.321 3.745 3.542 1.00 0.00 N ATOM 643 CA GLU A 44 10.693 3.439 2.165 1.00 0.00 C ATOM 644 C GLU A 44 9.633 2.575 1.490 1.00 0.00 C ATOM 645 O GLU A 44 9.328 2.759 0.312 1.00 0.00 O ATOM 646 CB GLU A 44 12.049 2.729 2.127 1.00 0.00 C ATOM 647 CG GLU A 44 12.992 3.272 1.065 1.00 0.00 C ATOM 648 CD GLU A 44 14.436 3.297 1.526 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.711 2.810 2.642 1.00 0.00 O ATOM 650 OE2 GLU A 44 15.292 3.803 0.770 1.00 0.00 O ATOM 0 H GLU A 44 10.892 3.279 4.247 1.00 0.00 H new ATOM 0 HA GLU A 44 10.767 4.379 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.525 2.820 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.888 1.666 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.912 2.661 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.684 4.281 0.792 1.00 0.00 H new ATOM 657 N THR A 45 9.075 1.632 2.241 1.00 0.00 N ATOM 658 CA THR A 45 8.056 0.736 1.709 1.00 0.00 C ATOM 659 C THR A 45 6.727 1.464 1.525 1.00 0.00 C ATOM 660 O THR A 45 6.074 1.331 0.491 1.00 0.00 O ATOM 661 CB THR A 45 7.866 -0.464 2.640 1.00 0.00 C ATOM 662 OG1 THR A 45 9.113 -1.068 2.936 1.00 0.00 O ATOM 663 CG2 THR A 45 6.961 -1.531 2.065 1.00 0.00 C ATOM 0 H THR A 45 9.311 1.469 3.220 1.00 0.00 H new ATOM 0 HA THR A 45 8.394 0.384 0.734 1.00 0.00 H new ATOM 0 HB THR A 45 7.398 -0.063 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.585 -0.532 3.607 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.870 -2.352 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.976 -1.107 1.872 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.385 -1.904 1.132 1.00 0.00 H new ATOM 671 N SER A 46 6.331 2.231 2.535 1.00 0.00 N ATOM 672 CA SER A 46 5.075 2.973 2.487 1.00 0.00 C ATOM 673 C SER A 46 4.937 3.742 1.175 1.00 0.00 C ATOM 674 O SER A 46 3.827 4.016 0.720 1.00 0.00 O ATOM 675 CB SER A 46 4.987 3.941 3.667 1.00 0.00 C ATOM 676 OG SER A 46 4.745 3.247 4.879 1.00 0.00 O ATOM 0 H SER A 46 6.861 2.356 3.397 1.00 0.00 H new ATOM 0 HA SER A 46 4.259 2.253 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.915 4.507 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.189 4.662 3.491 1.00 0.00 H new ATOM 0 HG SER A 46 5.557 3.255 5.428 1.00 0.00 H new ATOM 682 N LYS A 47 6.070 4.088 0.572 1.00 0.00 N ATOM 683 CA LYS A 47 6.070 4.830 -0.683 1.00 0.00 C ATOM 684 C LYS A 47 5.624 3.945 -1.844 1.00 0.00 C ATOM 685 O LYS A 47 4.670 4.269 -2.551 1.00 0.00 O ATOM 686 CB LYS A 47 7.462 5.398 -0.965 1.00 0.00 C ATOM 687 CG LYS A 47 7.444 6.658 -1.817 1.00 0.00 C ATOM 688 CD LYS A 47 8.187 7.799 -1.141 1.00 0.00 C ATOM 689 CE LYS A 47 8.362 8.984 -2.078 1.00 0.00 C ATOM 690 NZ LYS A 47 9.770 9.466 -2.109 1.00 0.00 N ATOM 0 H LYS A 47 6.998 3.867 0.932 1.00 0.00 H new ATOM 0 HA LYS A 47 5.361 5.653 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.955 5.617 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.060 4.638 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.899 6.450 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.413 6.956 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.640 8.114 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.164 7.451 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.054 8.699 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.707 9.796 -1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.846 10.274 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.057 9.762 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.392 8.699 -2.435 1.00 0.00 H new ATOM 704 N LEU A 48 6.321 2.829 -2.036 1.00 0.00 N ATOM 705 CA LEU A 48 5.995 1.903 -3.115 1.00 0.00 C ATOM 706 C LEU A 48 4.567 1.384 -2.975 1.00 0.00 C ATOM 707 O LEU A 48 3.897 1.107 -3.970 1.00 0.00 O ATOM 708 CB LEU A 48 6.983 0.734 -3.130 1.00 0.00 C ATOM 709 CG LEU A 48 6.735 -0.345 -2.072 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.989 -1.523 -2.677 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.049 -0.800 -1.459 1.00 0.00 C ATOM 0 H LEU A 48 7.113 2.545 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 48 6.072 2.442 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.954 0.268 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.990 1.129 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 48 6.117 0.081 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.822 -2.280 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.030 -1.184 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.580 -1.951 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.854 -1.567 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.692 -1.209 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.545 0.049 -0.989 1.00 0.00 H new ATOM 723 N ILE A 49 4.107 1.256 -1.735 1.00 0.00 N ATOM 724 CA ILE A 49 2.755 0.776 -1.468 1.00 0.00 C ATOM 725 C ILE A 49 1.721 1.850 -1.774 1.00 0.00 C ATOM 726 O ILE A 49 0.633 1.551 -2.267 1.00 0.00 O ATOM 727 CB ILE A 49 2.588 0.333 0.000 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.627 -0.728 0.369 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.181 -0.199 0.236 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.496 -1.232 1.791 1.00 0.00 C ATOM 0 H ILE A 49 4.649 1.477 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 49 2.596 -0.083 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 49 2.745 1.202 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.534 -1.570 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.625 -0.312 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.078 -0.508 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.455 0.583 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.001 -1.054 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.264 -1.981 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.619 -0.400 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.511 -1.678 1.930 1.00 0.00 H new ATOM 742 N TYR A 50 2.058 3.103 -1.480 1.00 0.00 N ATOM 743 CA TYR A 50 1.122 4.196 -1.693 1.00 0.00 C ATOM 744 C TYR A 50 0.787 4.356 -3.173 1.00 0.00 C ATOM 745 O TYR A 50 -0.266 4.889 -3.519 1.00 0.00 O ATOM 746 CB TYR A 50 1.639 5.506 -1.036 1.00 0.00 C ATOM 747 CG TYR A 50 1.700 6.729 -1.936 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.612 6.798 -2.980 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.854 7.817 -1.728 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.678 7.910 -3.799 1.00 0.00 C ATOM 751 CE2 TYR A 50 0.916 8.931 -2.542 1.00 0.00 C ATOM 752 CZ TYR A 50 1.827 8.972 -3.576 1.00 0.00 C ATOM 753 OH TYR A 50 1.890 10.080 -4.389 1.00 0.00 O ATOM 0 H TYR A 50 2.962 3.382 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 50 0.183 3.952 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.999 5.738 -0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.638 5.320 -0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.282 5.969 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.140 7.788 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.392 7.947 -4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.254 9.766 -2.369 1.00 0.00 H new ATOM 0 HH TYR A 50 1.238 9.990 -5.115 1.00 0.00 H new ATOM 763 N ASP A 51 1.642 3.837 -4.040 1.00 0.00 N ATOM 764 CA ASP A 51 1.345 3.849 -5.461 1.00 0.00 C ATOM 765 C ASP A 51 0.045 3.084 -5.721 1.00 0.00 C ATOM 766 O ASP A 51 -0.597 3.263 -6.755 1.00 0.00 O ATOM 767 CB ASP A 51 2.493 3.225 -6.256 1.00 0.00 C ATOM 768 CG ASP A 51 2.412 3.546 -7.735 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.731 4.529 -8.093 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.031 2.814 -8.537 1.00 0.00 O ATOM 0 H ASP A 51 2.533 3.409 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 51 1.226 4.882 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.443 3.584 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.480 2.144 -6.120 1.00 0.00 H new ATOM 775 N PHE A 52 -0.339 2.234 -4.761 1.00 0.00 N ATOM 776 CA PHE A 52 -1.547 1.428 -4.880 1.00 0.00 C ATOM 777 C PHE A 52 -2.778 2.147 -4.313 1.00 0.00 C ATOM 778 O PHE A 52 -3.744 2.389 -5.036 1.00 0.00 O ATOM 779 CB PHE A 52 -1.342 0.085 -4.172 1.00 0.00 C ATOM 780 CG PHE A 52 -2.576 -0.772 -4.133 1.00 0.00 C ATOM 781 CD1 PHE A 52 -3.608 -0.488 -3.253 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.703 -1.861 -4.980 1.00 0.00 C ATOM 783 CE1 PHE A 52 -4.743 -1.276 -3.218 1.00 0.00 C ATOM 784 CE2 PHE A 52 -3.835 -2.652 -4.950 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.856 -2.359 -4.067 1.00 0.00 C ATOM 0 H PHE A 52 0.176 2.091 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.733 1.259 -5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.546 -0.463 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.006 0.270 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.525 0.358 -2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.907 -2.094 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.541 -1.045 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.922 -3.498 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.742 -2.976 -4.041 1.00 0.00 H new ATOM 795 N ILE A 53 -2.756 2.466 -3.016 1.00 0.00 N ATOM 796 CA ILE A 53 -3.904 3.135 -2.383 1.00 0.00 C ATOM 797 C ILE A 53 -4.074 4.555 -2.917 1.00 0.00 C ATOM 798 O ILE A 53 -5.153 5.138 -2.814 1.00 0.00 O ATOM 799 CB ILE A 53 -3.867 3.122 -0.822 1.00 0.00 C ATOM 800 CG1 ILE A 53 -2.984 1.987 -0.305 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.283 2.970 -0.279 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.038 1.831 1.193 1.00 0.00 C ATOM 0 H ILE A 53 -1.973 2.278 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.778 2.545 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.443 4.065 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.293 1.052 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.953 2.170 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.256 2.961 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.895 3.805 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.712 2.035 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.390 1.009 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.701 2.753 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.062 1.618 1.500 1.00 0.00 H new ATOM 814 N GLU A 54 -3.014 5.103 -3.507 1.00 0.00 N ATOM 815 CA GLU A 54 -3.071 6.441 -4.083 1.00 0.00 C ATOM 816 C GLU A 54 -3.630 6.403 -5.504 1.00 0.00 C ATOM 817 O GLU A 54 -4.220 7.376 -5.975 1.00 0.00 O ATOM 818 CB GLU A 54 -1.682 7.079 -4.093 1.00 0.00 C ATOM 819 CG GLU A 54 -1.685 8.535 -4.531 1.00 0.00 C ATOM 820 CD GLU A 54 -1.016 8.742 -5.876 1.00 0.00 C ATOM 821 OE1 GLU A 54 0.232 8.767 -5.920 1.00 0.00 O ATOM 822 OE2 GLU A 54 -1.740 8.878 -6.885 1.00 0.00 O ATOM 0 H GLU A 54 -2.109 4.642 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.737 7.042 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.252 7.010 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.034 6.509 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.713 8.893 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.175 9.137 -3.779 1.00 0.00 H new ATOM 829 N ASP A 55 -3.418 5.284 -6.193 1.00 0.00 N ATOM 830 CA ASP A 55 -3.861 5.137 -7.576 1.00 0.00 C ATOM 831 C ASP A 55 -5.274 4.565 -7.662 1.00 0.00 C ATOM 832 O ASP A 55 -6.103 5.058 -8.427 1.00 0.00 O ATOM 833 CB ASP A 55 -2.893 4.236 -8.344 1.00 0.00 C ATOM 834 CG ASP A 55 -3.111 4.297 -9.843 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.933 3.508 -10.355 1.00 0.00 O ATOM 836 OD2 ASP A 55 -2.458 5.130 -10.505 1.00 0.00 O ATOM 0 H ASP A 55 -2.941 4.465 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.874 6.131 -8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.869 4.531 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.012 3.207 -8.004 1.00 0.00 H new ATOM 841 N GLN A 56 -5.541 3.518 -6.889 1.00 0.00 N ATOM 842 CA GLN A 56 -6.846 2.870 -6.907 1.00 0.00 C ATOM 843 C GLN A 56 -7.965 3.869 -6.630 1.00 0.00 C ATOM 844 O GLN A 56 -9.121 3.629 -6.975 1.00 0.00 O ATOM 845 CB GLN A 56 -6.890 1.741 -5.874 1.00 0.00 C ATOM 846 CG GLN A 56 -6.748 0.352 -6.477 1.00 0.00 C ATOM 847 CD GLN A 56 -5.301 -0.082 -6.616 1.00 0.00 C ATOM 848 OE1 GLN A 56 -4.472 0.196 -5.751 1.00 0.00 O ATOM 849 NE2 GLN A 56 -4.994 -0.773 -7.707 1.00 0.00 N ATOM 0 H GLN A 56 -4.871 3.101 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.999 2.455 -7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.092 1.895 -5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.833 1.796 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.280 -0.366 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.223 0.336 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.714 -0.981 -8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.038 -1.096 -7.854 1.00 0.00 H new ATOM 858 N GLY A 57 -7.616 4.993 -6.014 1.00 0.00 N ATOM 859 CA GLY A 57 -8.609 6.005 -5.706 1.00 0.00 C ATOM 860 C GLY A 57 -8.507 6.490 -4.276 1.00 0.00 C ATOM 861 O GLY A 57 -8.785 7.654 -3.987 1.00 0.00 O ATOM 0 H GLY A 57 -6.665 5.221 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.487 6.850 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.605 5.599 -5.880 1.00 0.00 H new ATOM 865 N GLY A 58 -8.108 5.596 -3.378 1.00 0.00 N ATOM 866 CA GLY A 58 -7.971 5.962 -1.982 1.00 0.00 C ATOM 867 C GLY A 58 -8.207 4.797 -1.043 1.00 0.00 C ATOM 868 O GLY A 58 -8.816 3.799 -1.420 1.00 0.00 O ATOM 0 H GLY A 58 -7.877 4.626 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.971 6.362 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.677 6.759 -1.749 1.00 0.00 H new ATOM 872 N LEU A 59 -7.722 4.930 0.184 1.00 0.00 N ATOM 873 CA LEU A 59 -7.877 3.891 1.195 1.00 0.00 C ATOM 874 C LEU A 59 -9.350 3.686 1.534 1.00 0.00 C ATOM 875 O LEU A 59 -9.883 2.584 1.402 1.00 0.00 O ATOM 876 CB LEU A 59 -7.113 4.325 2.439 1.00 0.00 C ATOM 877 CG LEU A 59 -7.496 3.626 3.742 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.262 3.380 4.597 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.515 4.465 4.498 1.00 0.00 C ATOM 0 H LEU A 59 -7.214 5.754 0.506 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.486 2.947 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.050 4.163 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.254 5.398 2.571 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.943 2.660 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.553 2.881 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.560 2.750 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.787 4.332 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.784 3.961 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.086 5.441 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.406 4.595 3.884 1.00 0.00 H new ATOM 891 N GLU A 60 -10.012 4.770 1.921 1.00 0.00 N ATOM 892 CA GLU A 60 -11.443 4.740 2.184 1.00 0.00 C ATOM 893 C GLU A 60 -12.167 4.867 0.858 1.00 0.00 C ATOM 894 O GLU A 60 -13.206 4.250 0.627 1.00 0.00 O ATOM 895 CB GLU A 60 -11.846 5.880 3.121 1.00 0.00 C ATOM 896 CG GLU A 60 -11.710 7.258 2.492 1.00 0.00 C ATOM 897 CD GLU A 60 -12.028 8.378 3.462 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.917 8.153 4.686 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.386 9.481 2.998 1.00 0.00 O ATOM 0 H GLU A 60 -9.578 5.683 2.060 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.710 3.803 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.879 5.733 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.230 5.837 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.694 7.384 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.376 7.328 1.632 1.00 0.00 H new ATOM 906 N ALA A 61 -11.553 5.639 -0.028 1.00 0.00 N ATOM 907 CA ALA A 61 -12.041 5.823 -1.373 1.00 0.00 C ATOM 908 C ALA A 61 -12.142 4.473 -2.082 1.00 0.00 C ATOM 909 O ALA A 61 -12.971 4.285 -2.973 1.00 0.00 O ATOM 910 CB ALA A 61 -11.107 6.771 -2.108 1.00 0.00 C ATOM 0 H ALA A 61 -10.697 6.155 0.175 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.040 6.259 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.466 6.918 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.081 7.730 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.104 6.346 -2.134 1.00 0.00 H new ATOM 916 N VAL A 62 -11.310 3.524 -1.647 1.00 0.00 N ATOM 917 CA VAL A 62 -11.338 2.167 -2.183 1.00 0.00 C ATOM 918 C VAL A 62 -12.593 1.455 -1.679 1.00 0.00 C ATOM 919 O VAL A 62 -13.264 0.745 -2.429 1.00 0.00 O ATOM 920 CB VAL A 62 -10.041 1.384 -1.802 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.282 -0.111 -1.571 1.00 0.00 C ATOM 922 CG2 VAL A 62 -8.982 1.580 -2.876 1.00 0.00 C ATOM 0 H VAL A 62 -10.608 3.674 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.371 2.210 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.695 1.795 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.341 -0.595 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.996 -0.243 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.681 -0.560 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.081 1.031 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.358 1.209 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.747 2.641 -2.966 1.00 0.00 H new ATOM 932 N ARG A 63 -12.910 1.671 -0.406 1.00 0.00 N ATOM 933 CA ARG A 63 -14.098 1.081 0.192 1.00 0.00 C ATOM 934 C ARG A 63 -15.323 1.405 -0.650 1.00 0.00 C ATOM 935 O ARG A 63 -16.233 0.589 -0.786 1.00 0.00 O ATOM 936 CB ARG A 63 -14.289 1.599 1.617 1.00 0.00 C ATOM 937 CG ARG A 63 -14.113 0.528 2.678 1.00 0.00 C ATOM 938 CD ARG A 63 -15.082 0.721 3.832 1.00 0.00 C ATOM 939 NE ARG A 63 -15.259 2.131 4.168 1.00 0.00 N ATOM 940 CZ ARG A 63 -16.322 2.610 4.808 1.00 0.00 C ATOM 941 NH1 ARG A 63 -17.299 1.795 5.183 1.00 0.00 N ATOM 942 NH2 ARG A 63 -16.407 3.905 5.076 1.00 0.00 N ATOM 0 H ARG A 63 -12.360 2.250 0.229 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.970 -0.001 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.577 2.403 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.286 2.030 1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.267 -0.455 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.090 0.551 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -16.047 0.287 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.716 0.183 4.707 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.526 2.786 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.237 0.797 4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.113 2.166 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.657 4.535 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.222 4.272 5.567 1.00 0.00 H new ATOM 956 N GLN A 64 -15.326 2.601 -1.233 1.00 0.00 N ATOM 957 CA GLN A 64 -16.425 3.025 -2.090 1.00 0.00 C ATOM 958 C GLN A 64 -16.483 2.161 -3.345 1.00 0.00 C ATOM 959 O GLN A 64 -17.559 1.883 -3.873 1.00 0.00 O ATOM 960 CB GLN A 64 -16.265 4.498 -2.473 1.00 0.00 C ATOM 961 CG GLN A 64 -16.985 5.451 -1.533 1.00 0.00 C ATOM 962 CD GLN A 64 -16.483 6.877 -1.652 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.102 7.713 -2.311 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.354 7.161 -1.013 1.00 0.00 N ATOM 0 H GLN A 64 -14.582 3.290 -1.127 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.358 2.906 -1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.204 4.748 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -16.642 4.645 -3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.054 5.427 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.857 5.109 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.874 6.437 -0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.966 8.104 -1.057 1.00 0.00 H new ATOM 973 N GLU A 65 -15.313 1.730 -3.809 1.00 0.00 N ATOM 974 CA GLU A 65 -15.221 0.884 -4.991 1.00 0.00 C ATOM 975 C GLU A 65 -15.417 -0.583 -4.622 1.00 0.00 C ATOM 976 O GLU A 65 -16.065 -1.336 -5.350 1.00 0.00 O ATOM 977 CB GLU A 65 -13.863 1.073 -5.674 1.00 0.00 C ATOM 978 CG GLU A 65 -13.613 0.101 -6.816 1.00 0.00 C ATOM 979 CD GLU A 65 -13.295 0.804 -8.121 1.00 0.00 C ATOM 980 OE1 GLU A 65 -14.242 1.112 -8.876 1.00 0.00 O ATOM 981 OE2 GLU A 65 -12.100 1.047 -8.390 1.00 0.00 O ATOM 0 H GLU A 65 -14.414 1.955 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.011 1.177 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.796 2.092 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.074 0.958 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.786 -0.559 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.493 -0.528 -6.952 1.00 0.00 H new ATOM 988 N MET A 66 -14.852 -0.981 -3.486 1.00 0.00 N ATOM 989 CA MET A 66 -14.963 -2.357 -3.017 1.00 0.00 C ATOM 990 C MET A 66 -16.420 -2.807 -2.992 1.00 0.00 C ATOM 991 O MET A 66 -16.725 -3.972 -3.249 1.00 0.00 O ATOM 992 CB MET A 66 -14.350 -2.494 -1.622 1.00 0.00 C ATOM 993 CG MET A 66 -13.145 -3.418 -1.573 1.00 0.00 C ATOM 994 SD MET A 66 -13.303 -4.703 -0.318 1.00 0.00 S ATOM 995 CE MET A 66 -11.598 -5.227 -0.151 1.00 0.00 C ATOM 0 H MET A 66 -14.313 -0.369 -2.873 1.00 0.00 H new ATOM 0 HA MET A 66 -14.416 -2.996 -3.710 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.055 -1.507 -1.266 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.110 -2.866 -0.935 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.010 -3.884 -2.549 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.249 -2.830 -1.374 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.533 -6.021 0.593 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.236 -5.597 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.987 -4.382 0.166 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.987 -6.098 -6.447 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.829 -5.216 -6.352 1.00 0.00 C ATOM 1183 C LEU A 81 -6.773 -5.786 -5.405 1.00 0.00 C ATOM 1184 O LEU A 81 -5.615 -5.367 -5.432 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.247 -3.815 -5.890 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.416 -3.765 -4.903 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.314 -2.530 -4.020 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.744 -3.780 -5.647 1.00 0.00 C ATOM 0 HA LEU A 81 -7.392 -5.142 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.385 -3.332 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.511 -3.226 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.368 -4.649 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.153 -2.510 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.379 -2.559 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.337 -1.635 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.564 -3.744 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.801 -2.914 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.819 -4.693 -6.238 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.170 -6.748 -4.575 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.247 -7.370 -3.633 1.00 0.00 C ATOM 1202 C VAL A 82 -5.047 -7.970 -4.359 1.00 0.00 C ATOM 1203 O VAL A 82 -3.922 -7.924 -3.862 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.938 -8.473 -2.811 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.982 -9.043 -1.775 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.199 -7.940 -2.148 1.00 0.00 C ATOM 0 H VAL A 82 -8.122 -7.112 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.908 -6.585 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.227 -9.277 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.487 -9.821 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.113 -9.468 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.660 -8.249 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.672 -8.736 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.940 -7.116 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.890 -7.586 -2.913 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.297 -8.535 -5.536 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.229 -9.143 -6.309 1.00 0.00 C ATOM 1218 C GLY A 83 -3.239 -8.125 -6.839 1.00 0.00 C ATOM 1219 O GLY A 83 -2.048 -8.412 -6.958 1.00 0.00 O ATOM 0 H GLY A 83 -6.220 -8.583 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.702 -9.867 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.659 -9.695 -7.145 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.731 -6.933 -7.161 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.880 -5.872 -7.686 1.00 0.00 C ATOM 1225 C ALA A 84 -1.809 -5.475 -6.677 1.00 0.00 C ATOM 1226 O ALA A 84 -0.683 -5.142 -7.050 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.719 -4.663 -8.070 1.00 0.00 C ATOM 0 H ALA A 84 -4.714 -6.678 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.379 -6.251 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.070 -3.879 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.442 -4.950 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.247 -4.293 -7.191 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.164 -5.511 -5.398 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.233 -5.149 -4.335 1.00 0.00 C ATOM 1235 C LEU A 85 -0.141 -6.203 -4.178 1.00 0.00 C ATOM 1236 O LEU A 85 1.038 -5.873 -4.055 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.979 -4.971 -3.012 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.550 -3.757 -2.186 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.406 -3.632 -0.937 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -0.077 -3.858 -1.818 1.00 0.00 C ATOM 0 H LEU A 85 -3.090 -5.787 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.762 -4.205 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.046 -4.890 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.840 -5.869 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.693 -2.861 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.086 -2.763 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.451 -3.513 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.296 -4.530 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.212 -2.986 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.091 -4.762 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.523 -3.898 -2.727 1.00 0.00 H new ATOM 1252 N MET A 86 -0.540 -7.472 -4.191 1.00 0.00 N ATOM 1253 CA MET A 86 0.404 -8.578 -4.044 1.00 0.00 C ATOM 1254 C MET A 86 1.638 -8.372 -4.920 1.00 0.00 C ATOM 1255 O MET A 86 2.766 -8.358 -4.429 1.00 0.00 O ATOM 1256 CB MET A 86 -0.273 -9.903 -4.407 1.00 0.00 C ATOM 1257 CG MET A 86 -1.517 -10.203 -3.585 1.00 0.00 C ATOM 1258 SD MET A 86 -2.389 -11.676 -4.155 1.00 0.00 S ATOM 1259 CE MET A 86 -3.906 -11.562 -3.209 1.00 0.00 C ATOM 0 H MET A 86 -1.512 -7.761 -4.302 1.00 0.00 H new ATOM 0 HA MET A 86 0.724 -8.608 -3.002 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.542 -9.885 -5.463 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.443 -10.714 -4.274 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.234 -10.334 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.191 -9.347 -3.628 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.262 -12.564 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.719 -11.014 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.661 -11.038 -3.795 1.00 0.00 H new ATOM 1269 N HIS A 87 1.410 -8.202 -6.218 1.00 0.00 N ATOM 1270 CA HIS A 87 2.489 -7.998 -7.171 1.00 0.00 C ATOM 1271 C HIS A 87 3.427 -6.878 -6.720 1.00 0.00 C ATOM 1272 O HIS A 87 4.619 -7.101 -6.510 1.00 0.00 O ATOM 1273 CB HIS A 87 1.900 -7.664 -8.545 1.00 0.00 C ATOM 1274 CG HIS A 87 2.928 -7.258 -9.551 1.00 0.00 C ATOM 1275 ND1 HIS A 87 2.815 -6.130 -10.335 1.00 0.00 N ATOM 1276 CD2 HIS A 87 4.106 -7.828 -9.878 1.00 0.00 C ATOM 1277 CE1 HIS A 87 3.878 -6.030 -11.113 1.00 0.00 C ATOM 1278 NE2 HIS A 87 4.678 -7.049 -10.854 1.00 0.00 N ATOM 0 H HIS A 87 0.479 -8.202 -6.634 1.00 0.00 H new ATOM 0 HA HIS A 87 3.071 -8.917 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.359 -8.532 -8.920 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.174 -6.859 -8.434 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.522 -8.729 -9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.062 -5.249 -11.836 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.575 -7.228 -11.306 1.00 0.00 H new ATOM 1287 N VAL A 88 2.882 -5.673 -6.596 1.00 0.00 N ATOM 1288 CA VAL A 88 3.671 -4.509 -6.209 1.00 0.00 C ATOM 1289 C VAL A 88 4.561 -4.802 -5.002 1.00 0.00 C ATOM 1290 O VAL A 88 5.600 -4.167 -4.822 1.00 0.00 O ATOM 1291 CB VAL A 88 2.765 -3.302 -5.895 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.594 -2.098 -5.473 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.898 -2.966 -7.099 1.00 0.00 C ATOM 0 H VAL A 88 1.894 -5.476 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 88 4.309 -4.267 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 88 2.113 -3.568 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.933 -1.259 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.169 -2.347 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.275 -1.825 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.263 -2.112 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.535 -2.721 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.274 -3.824 -7.349 1.00 0.00 H new ATOM 1303 N MET A 89 4.153 -5.760 -4.178 1.00 0.00 N ATOM 1304 CA MET A 89 4.924 -6.116 -2.991 1.00 0.00 C ATOM 1305 C MET A 89 6.060 -7.073 -3.342 1.00 0.00 C ATOM 1306 O MET A 89 7.060 -7.150 -2.629 1.00 0.00 O ATOM 1307 CB MET A 89 4.016 -6.744 -1.930 1.00 0.00 C ATOM 1308 CG MET A 89 2.921 -5.812 -1.428 1.00 0.00 C ATOM 1309 SD MET A 89 3.522 -4.149 -1.066 1.00 0.00 S ATOM 1310 CE MET A 89 4.372 -4.427 0.485 1.00 0.00 C ATOM 0 H MET A 89 3.298 -6.302 -4.308 1.00 0.00 H new ATOM 0 HA MET A 89 5.359 -5.202 -2.587 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.555 -7.641 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.626 -7.061 -1.084 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.131 -5.752 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.475 -6.235 -0.528 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.280 -3.824 0.516 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.721 -4.145 1.312 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.634 -5.481 0.573 1.00 0.00 H new ATOM 1320 N GLN A 90 5.904 -7.794 -4.447 1.00 0.00 N ATOM 1321 CA GLN A 90 6.924 -8.735 -4.895 1.00 0.00 C ATOM 1322 C GLN A 90 8.185 -7.998 -5.340 1.00 0.00 C ATOM 1323 O GLN A 90 9.281 -8.556 -5.320 1.00 0.00 O ATOM 1324 CB GLN A 90 6.390 -9.593 -6.043 1.00 0.00 C ATOM 1325 CG GLN A 90 5.198 -10.453 -5.657 1.00 0.00 C ATOM 1326 CD GLN A 90 5.381 -11.907 -6.045 1.00 0.00 C ATOM 1327 OE1 GLN A 90 6.280 -12.249 -6.813 1.00 0.00 O ATOM 1328 NE2 GLN A 90 4.527 -12.773 -5.513 1.00 0.00 N ATOM 0 H GLN A 90 5.082 -7.745 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 90 7.178 -9.382 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.105 -8.942 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.190 -10.238 -6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.038 -10.385 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.301 -10.062 -6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.796 -12.446 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.601 -13.765 -5.736 1.00 0.00 H new ATOM 1337 N LYS A 91 8.019 -6.741 -5.741 1.00 0.00 N ATOM 1338 CA LYS A 91 9.142 -5.927 -6.195 1.00 0.00 C ATOM 1339 C LYS A 91 10.157 -5.722 -5.075 1.00 0.00 C ATOM 1340 O LYS A 91 11.357 -5.604 -5.325 1.00 0.00 O ATOM 1341 CB LYS A 91 8.642 -4.572 -6.701 1.00 0.00 C ATOM 1342 CG LYS A 91 8.841 -4.370 -8.194 1.00 0.00 C ATOM 1343 CD LYS A 91 10.300 -4.538 -8.589 1.00 0.00 C ATOM 1344 CE LYS A 91 10.707 -3.538 -9.659 1.00 0.00 C ATOM 1345 NZ LYS A 91 10.137 -3.884 -10.990 1.00 0.00 N ATOM 0 H LYS A 91 7.118 -6.264 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 91 9.634 -6.455 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.582 -4.475 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.161 -3.779 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.229 -5.085 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.499 -3.374 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.933 -4.410 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.464 -5.551 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.374 -2.541 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.794 -3.503 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.438 -3.177 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.475 -4.824 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.099 -3.892 -10.931 1.00 0.00 H new ATOM 1359 N ARG A 92 9.669 -5.677 -3.840 1.00 0.00 N ATOM 1360 CA ARG A 92 10.532 -5.475 -2.681 1.00 0.00 C ATOM 1361 C ARG A 92 11.319 -6.742 -2.355 1.00 0.00 C ATOM 1362 O ARG A 92 12.508 -6.681 -2.039 1.00 0.00 O ATOM 1363 CB ARG A 92 9.698 -5.055 -1.469 1.00 0.00 C ATOM 1364 CG ARG A 92 10.518 -4.430 -0.352 1.00 0.00 C ATOM 1365 CD ARG A 92 10.882 -2.988 -0.668 1.00 0.00 C ATOM 1366 NE ARG A 92 11.951 -2.493 0.194 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.472 -1.274 0.095 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.022 -0.432 -0.825 1.00 0.00 N ATOM 1369 NH2 ARG A 92 13.443 -0.898 0.917 1.00 0.00 N ATOM 0 H ARG A 92 8.679 -5.778 -3.615 1.00 0.00 H new ATOM 0 HA ARG A 92 11.241 -4.683 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.937 -4.344 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.174 -5.928 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.954 -4.468 0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.428 -5.011 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.192 -2.912 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.001 -2.357 -0.551 1.00 0.00 H new ATOM 0 HE ARG A 92 12.319 -3.117 0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.275 -0.719 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.422 0.503 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.790 -1.544 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.842 0.037 0.840 1.00 0.00 H new ATOM 1383 N SER A 93 10.647 -7.886 -2.430 1.00 0.00 N ATOM 1384 CA SER A 93 11.280 -9.167 -2.133 1.00 0.00 C ATOM 1385 C SER A 93 12.570 -9.343 -2.929 1.00 0.00 C ATOM 1386 O SER A 93 13.458 -10.097 -2.530 1.00 0.00 O ATOM 1387 CB SER A 93 10.318 -10.315 -2.441 1.00 0.00 C ATOM 1388 OG SER A 93 10.268 -11.241 -1.369 1.00 0.00 O ATOM 0 H SER A 93 9.664 -7.953 -2.694 1.00 0.00 H new ATOM 0 HA SER A 93 11.529 -9.180 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.321 -9.917 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.635 -10.824 -3.351 1.00 0.00 H new ATOM 0 HG SER A 93 9.645 -11.964 -1.590 1.00 0.00 H new