USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 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: B 16 ASN : amide:sc= -3.49! C(o=-2.6!,f=-6.2!) USER MOD Set 1.2: B 77 LYS NZ :NH3+ 162:sc= 0.873 (180deg=-0.0518) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 THR OG1 : rot 90:sc= 1.22 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.013) USER MOD Single : B 22 LYS NZ :NH3+ 173:sc=-0.00158 (180deg=-0.0779) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 TYR OH : rot 150:sc= -0.415 USER MOD Single : B 40 MET CE :methyl -127:sc= -0.384 (180deg=-2.97!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0.0173 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -135:sc= -0.516 (180deg=-4.21!) USER MOD Single : B 70 ASN : amide:sc= 0.263 K(o=0.26,f=-3!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.016 USER MOD Single : B 80 LYS NZ :NH3+ -116:sc= 0.229 (180deg=0) USER MOD Single : B 83 GLN : amide:sc= -0.927 K(o=-0.93,f=-2.1) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.319 -2.570 -18.942 1.00 0.00 N ATOM 112 CA GLY B 8 3.373 -3.299 -19.624 1.00 0.00 C ATOM 113 C GLY B 8 4.496 -3.619 -18.660 1.00 0.00 C ATOM 114 O GLY B 8 5.300 -4.505 -18.934 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.973 -4.221 -20.046 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.755 -2.707 -20.455 1.00 0.00 H new ATOM 118 N LYS B 9 4.559 -2.909 -17.529 1.00 0.00 N ATOM 119 CA LYS B 9 5.542 -3.222 -16.515 1.00 0.00 C ATOM 120 C LYS B 9 4.973 -4.309 -15.619 1.00 0.00 C ATOM 121 O LYS B 9 3.845 -4.199 -15.137 1.00 0.00 O ATOM 122 CB LYS B 9 5.957 -1.980 -15.730 1.00 0.00 C ATOM 123 CG LYS B 9 7.097 -2.378 -14.784 1.00 0.00 C ATOM 124 CD LYS B 9 7.541 -1.213 -13.905 1.00 0.00 C ATOM 125 CE LYS B 9 8.267 -0.163 -14.752 1.00 0.00 C ATOM 126 NZ LYS B 9 8.657 1.007 -13.940 1.00 0.00 N ATOM 0 H LYS B 9 3.945 -2.126 -17.304 1.00 0.00 H new ATOM 0 HA LYS B 9 6.455 -3.589 -16.985 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.282 -1.191 -16.408 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.112 -1.586 -15.165 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.773 -3.206 -14.153 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.945 -2.736 -15.368 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.675 -0.764 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.200 -1.573 -13.115 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.154 -0.607 -15.203 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.621 0.158 -15.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.146 1.700 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.807 1.444 -13.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.293 0.703 -13.175 1.00 0.00 H new ATOM 140 N LEU B 10 5.757 -5.362 -15.402 1.00 0.00 N ATOM 141 CA LEU B 10 5.344 -6.508 -14.616 1.00 0.00 C ATOM 142 C LEU B 10 6.248 -6.658 -13.402 1.00 0.00 C ATOM 143 O LEU B 10 7.407 -6.248 -13.433 1.00 0.00 O ATOM 144 CB LEU B 10 5.438 -7.755 -15.485 1.00 0.00 C ATOM 145 CG LEU B 10 4.428 -7.812 -16.630 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.688 -9.115 -17.378 1.00 0.00 C ATOM 147 CD2 LEU B 10 2.990 -7.826 -16.135 1.00 0.00 C ATOM 0 H LEU B 10 6.704 -5.439 -15.773 1.00 0.00 H new ATOM 0 HA LEU B 10 4.319 -6.370 -14.273 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.443 -7.816 -15.902 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.301 -8.633 -14.853 1.00 0.00 H new ATOM 0 HG LEU B 10 4.550 -6.928 -17.255 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.989 -9.203 -18.209 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.709 -9.117 -17.761 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.553 -9.957 -16.699 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.312 -7.867 -16.988 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.831 -8.700 -15.503 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.795 -6.921 -15.559 1.00 0.00 H new ATOM 159 N PHE B 11 5.704 -7.251 -12.340 1.00 0.00 N ATOM 160 CA PHE B 11 6.435 -7.600 -11.140 1.00 0.00 C ATOM 161 C PHE B 11 6.645 -9.104 -11.147 1.00 0.00 C ATOM 162 O PHE B 11 5.689 -9.858 -11.324 1.00 0.00 O ATOM 163 CB PHE B 11 5.647 -7.171 -9.908 1.00 0.00 C ATOM 164 CG PHE B 11 6.208 -7.753 -8.634 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.409 -7.259 -8.114 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.531 -8.793 -7.976 1.00 0.00 C ATOM 167 CE1 PHE B 11 7.935 -7.805 -6.938 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.060 -9.341 -6.802 1.00 0.00 C ATOM 169 CZ PHE B 11 7.263 -8.843 -6.285 1.00 0.00 C ATOM 0 H PHE B 11 4.717 -7.505 -12.297 1.00 0.00 H new ATOM 0 HA PHE B 11 7.398 -7.090 -11.113 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.650 -6.083 -9.839 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.608 -7.481 -10.019 1.00 0.00 H new ATOM 0 HD1 PHE B 11 7.929 -6.458 -8.619 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.602 -9.170 -8.376 1.00 0.00 H new ATOM 0 HE1 PHE B 11 8.861 -7.424 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.543 -10.144 -6.297 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.673 -9.263 -5.378 1.00 0.00 H new ATOM 179 N ILE B 12 7.893 -9.538 -10.957 1.00 0.00 N ATOM 180 CA ILE B 12 8.257 -10.940 -11.047 1.00 0.00 C ATOM 181 C ILE B 12 8.851 -11.394 -9.716 1.00 0.00 C ATOM 182 O ILE B 12 10.069 -11.448 -9.575 1.00 0.00 O ATOM 183 CB ILE B 12 9.247 -11.150 -12.201 1.00 0.00 C ATOM 184 CG1 ILE B 12 8.994 -10.313 -13.464 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.234 -12.632 -12.561 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.636 -10.525 -14.133 1.00 0.00 C ATOM 0 H ILE B 12 8.675 -8.921 -10.737 1.00 0.00 H new ATOM 0 HA ILE B 12 7.371 -11.541 -11.253 1.00 0.00 H new ATOM 0 HB ILE B 12 10.216 -10.807 -11.838 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.091 -9.259 -13.205 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.776 -10.537 -14.190 1.00 0.00 H new ATOM 0 HG21 ILE B 12 9.930 -12.813 -13.380 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.534 -13.220 -11.693 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.229 -12.923 -12.867 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.561 -9.887 -15.014 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.536 -11.569 -14.431 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.841 -10.271 -13.432 1.00 0.00 H new ATOM 198 N GLY B 13 8.009 -11.718 -8.731 1.00 0.00 N ATOM 199 CA GLY B 13 8.503 -12.083 -7.407 1.00 0.00 C ATOM 200 C GLY B 13 8.616 -13.594 -7.240 1.00 0.00 C ATOM 201 O GLY B 13 7.818 -14.334 -7.802 1.00 0.00 O ATOM 0 H GLY B 13 6.994 -11.734 -8.826 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.479 -11.626 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.833 -11.683 -6.646 1.00 0.00 H new ATOM 205 N GLY B 14 9.600 -14.061 -6.470 1.00 0.00 N ATOM 206 CA GLY B 14 9.732 -15.472 -6.125 1.00 0.00 C ATOM 207 C GLY B 14 10.765 -16.171 -7.005 1.00 0.00 C ATOM 208 O GLY B 14 10.887 -17.394 -6.974 1.00 0.00 O ATOM 0 H GLY B 14 10.327 -13.469 -6.069 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.022 -15.566 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.766 -15.966 -6.234 1.00 0.00 H new ATOM 212 N LEU B 15 11.509 -15.392 -7.790 1.00 0.00 N ATOM 213 CA LEU B 15 12.505 -15.904 -8.712 1.00 0.00 C ATOM 214 C LEU B 15 13.639 -16.599 -7.971 1.00 0.00 C ATOM 215 O LEU B 15 13.809 -16.432 -6.764 1.00 0.00 O ATOM 216 CB LEU B 15 13.087 -14.742 -9.512 1.00 0.00 C ATOM 217 CG LEU B 15 12.084 -14.064 -10.442 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.656 -12.725 -10.898 1.00 0.00 C ATOM 219 CD2 LEU B 15 11.904 -14.939 -11.674 1.00 0.00 C ATOM 0 H LEU B 15 11.431 -14.375 -7.798 1.00 0.00 H new ATOM 0 HA LEU B 15 12.022 -16.627 -9.369 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.483 -14.000 -8.819 1.00 0.00 H new ATOM 0 HB3 LEU B 15 13.927 -15.106 -10.104 1.00 0.00 H new ATOM 0 HG LEU B 15 11.136 -13.917 -9.924 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.946 -12.234 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.838 -12.092 -10.029 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.594 -12.891 -11.428 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.190 -14.471 -12.352 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.862 -15.056 -12.181 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.531 -15.918 -11.374 1.00 0.00 H new ATOM 231 N ASN B 16 14.424 -17.382 -8.712 1.00 0.00 N ATOM 232 CA ASN B 16 15.590 -18.043 -8.176 1.00 0.00 C ATOM 233 C ASN B 16 16.710 -17.032 -7.939 1.00 0.00 C ATOM 234 O ASN B 16 16.718 -15.955 -8.533 1.00 0.00 O ATOM 235 CB ASN B 16 15.993 -19.125 -9.164 1.00 0.00 C ATOM 236 CG ASN B 16 16.979 -20.117 -8.602 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.251 -20.163 -7.406 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.517 -20.925 -9.497 1.00 0.00 N ATOM 0 H ASN B 16 14.260 -17.569 -9.701 1.00 0.00 H new ATOM 0 HA ASN B 16 15.377 -18.498 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.100 -19.658 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.426 -18.656 -10.048 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.194 -21.630 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.256 -20.844 -10.480 1.00 0.00 H new ATOM 245 N THR B 17 17.660 -17.379 -7.073 1.00 0.00 N ATOM 246 CA THR B 17 18.816 -16.533 -6.802 1.00 0.00 C ATOM 247 C THR B 17 19.809 -16.598 -7.959 1.00 0.00 C ATOM 248 O THR B 17 20.830 -15.916 -7.948 1.00 0.00 O ATOM 249 CB THR B 17 19.490 -16.986 -5.509 1.00 0.00 C ATOM 250 OG1 THR B 17 19.891 -18.335 -5.612 1.00 0.00 O ATOM 251 CG2 THR B 17 18.511 -16.881 -4.347 1.00 0.00 C ATOM 0 H THR B 17 17.649 -18.250 -6.543 1.00 0.00 H new ATOM 0 HA THR B 17 18.480 -15.502 -6.693 1.00 0.00 H new ATOM 0 HB THR B 17 20.356 -16.347 -5.339 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.803 -18.379 -5.969 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.000 -17.206 -3.429 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.185 -15.847 -4.238 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.646 -17.515 -4.542 1.00 0.00 H new ATOM 259 N GLU B 18 19.494 -17.429 -8.956 1.00 0.00 N ATOM 260 CA GLU B 18 20.375 -17.765 -10.060 1.00 0.00 C ATOM 261 C GLU B 18 19.896 -17.109 -11.355 1.00 0.00 C ATOM 262 O GLU B 18 20.579 -17.165 -12.376 1.00 0.00 O ATOM 263 CB GLU B 18 20.395 -19.289 -10.202 1.00 0.00 C ATOM 264 CG GLU B 18 20.450 -19.986 -8.839 1.00 0.00 C ATOM 265 CD GLU B 18 21.777 -19.719 -8.126 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.739 -20.470 -8.402 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.833 -18.770 -7.313 1.00 0.00 O ATOM 0 H GLU B 18 18.589 -17.897 -9.012 1.00 0.00 H new ATOM 0 HA GLU B 18 21.380 -17.394 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.506 -19.616 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.257 -19.587 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.625 -19.638 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.317 -21.060 -8.973 1.00 0.00 H new ATOM 274 N THR B 19 18.715 -16.484 -11.313 1.00 0.00 N ATOM 275 CA THR B 19 18.107 -15.843 -12.466 1.00 0.00 C ATOM 276 C THR B 19 18.724 -14.466 -12.667 1.00 0.00 C ATOM 277 O THR B 19 19.046 -13.781 -11.698 1.00 0.00 O ATOM 278 CB THR B 19 16.594 -15.721 -12.260 1.00 0.00 C ATOM 279 OG1 THR B 19 16.053 -16.991 -11.971 1.00 0.00 O ATOM 280 CG2 THR B 19 15.898 -15.174 -13.502 1.00 0.00 C ATOM 0 H THR B 19 18.154 -16.412 -10.464 1.00 0.00 H new ATOM 0 HA THR B 19 18.290 -16.448 -13.354 1.00 0.00 H new ATOM 0 HB THR B 19 16.430 -15.030 -11.433 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.085 -16.912 -11.838 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.826 -15.102 -13.317 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.293 -14.185 -13.735 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.076 -15.843 -14.344 1.00 0.00 H new ATOM 288 N ASN B 20 18.886 -14.055 -13.926 1.00 0.00 N ATOM 289 CA ASN B 20 19.370 -12.724 -14.252 1.00 0.00 C ATOM 290 C ASN B 20 18.524 -12.133 -15.367 1.00 0.00 C ATOM 291 O ASN B 20 17.487 -12.682 -15.739 1.00 0.00 O ATOM 292 CB ASN B 20 20.835 -12.728 -14.686 1.00 0.00 C ATOM 293 CG ASN B 20 21.617 -13.901 -14.133 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.204 -13.832 -13.058 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.616 -14.995 -14.887 1.00 0.00 N ATOM 0 H ASN B 20 18.685 -14.636 -14.740 1.00 0.00 H new ATOM 0 HA ASN B 20 19.291 -12.121 -13.348 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.885 -12.747 -15.775 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.306 -11.800 -14.362 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.119 -15.827 -14.579 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.112 -15.003 -15.774 1.00 0.00 H new ATOM 302 N GLU B 21 18.986 -11.006 -15.895 1.00 0.00 N ATOM 303 CA GLU B 21 18.248 -10.239 -16.884 1.00 0.00 C ATOM 304 C GLU B 21 18.149 -11.007 -18.194 1.00 0.00 C ATOM 305 O GLU B 21 17.141 -10.918 -18.887 1.00 0.00 O ATOM 306 CB GLU B 21 18.963 -8.907 -17.104 1.00 0.00 C ATOM 307 CG GLU B 21 18.827 -8.055 -15.849 1.00 0.00 C ATOM 308 CD GLU B 21 19.749 -6.838 -15.903 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.353 -5.836 -16.541 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.846 -6.914 -15.305 1.00 0.00 O ATOM 0 H GLU B 21 19.888 -10.599 -15.646 1.00 0.00 H new ATOM 0 HA GLU B 21 17.235 -10.060 -16.523 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.015 -9.078 -17.330 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.534 -8.387 -17.960 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.793 -7.727 -15.740 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.065 -8.656 -14.971 1.00 0.00 H new ATOM 317 N LYS B 22 19.184 -11.772 -18.547 1.00 0.00 N ATOM 318 CA LYS B 22 19.197 -12.508 -19.803 1.00 0.00 C ATOM 319 C LYS B 22 18.122 -13.591 -19.814 1.00 0.00 C ATOM 320 O LYS B 22 17.567 -13.915 -20.860 1.00 0.00 O ATOM 321 CB LYS B 22 20.592 -13.104 -19.992 1.00 0.00 C ATOM 322 CG LYS B 22 20.690 -13.955 -21.263 1.00 0.00 C ATOM 323 CD LYS B 22 20.187 -13.205 -22.499 1.00 0.00 C ATOM 324 CE LYS B 22 20.980 -11.921 -22.763 1.00 0.00 C ATOM 325 NZ LYS B 22 22.391 -12.216 -23.075 1.00 0.00 N ATOM 0 H LYS B 22 20.021 -11.895 -17.978 1.00 0.00 H new ATOM 0 HA LYS B 22 18.972 -11.836 -20.631 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.326 -12.299 -20.038 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.844 -13.716 -19.126 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.726 -14.255 -21.419 1.00 0.00 H new ATOM 0 HG3 LYS B 22 20.110 -14.868 -21.133 1.00 0.00 H new ATOM 0 HD2 LYS B 22 20.255 -13.857 -23.370 1.00 0.00 H new ATOM 0 HD3 LYS B 22 19.133 -12.958 -22.368 1.00 0.00 H new ATOM 0 HE2 LYS B 22 20.528 -11.376 -23.592 1.00 0.00 H new ATOM 0 HE3 LYS B 22 20.927 -11.272 -21.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 22.873 -11.341 -23.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 22.859 -12.606 -22.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 22.438 -12.909 -23.849 1.00 0.00 H new ATOM 339 N ALA B 23 17.818 -14.151 -18.645 1.00 0.00 N ATOM 340 CA ALA B 23 16.862 -15.240 -18.546 1.00 0.00 C ATOM 341 C ALA B 23 15.460 -14.651 -18.437 1.00 0.00 C ATOM 342 O ALA B 23 14.468 -15.320 -18.707 1.00 0.00 O ATOM 343 CB ALA B 23 17.208 -16.090 -17.324 1.00 0.00 C ATOM 0 H ALA B 23 18.223 -13.864 -17.754 1.00 0.00 H new ATOM 0 HA ALA B 23 16.900 -15.878 -19.429 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.497 -16.911 -17.239 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.215 -16.492 -17.434 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.159 -15.474 -16.426 1.00 0.00 H new ATOM 349 N LEU B 24 15.398 -13.380 -18.038 1.00 0.00 N ATOM 350 CA LEU B 24 14.175 -12.657 -17.773 1.00 0.00 C ATOM 351 C LEU B 24 13.690 -11.975 -19.048 1.00 0.00 C ATOM 352 O LEU B 24 12.495 -11.760 -19.227 1.00 0.00 O ATOM 353 CB LEU B 24 14.537 -11.644 -16.683 1.00 0.00 C ATOM 354 CG LEU B 24 14.034 -12.133 -15.331 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.757 -11.433 -14.185 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.539 -11.854 -15.210 1.00 0.00 C ATOM 0 H LEU B 24 16.234 -12.814 -17.888 1.00 0.00 H new ATOM 0 HA LEU B 24 13.361 -13.304 -17.446 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.617 -11.504 -16.649 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.097 -10.674 -16.915 1.00 0.00 H new ATOM 0 HG LEU B 24 14.229 -13.203 -15.268 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.376 -11.804 -13.234 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.826 -11.636 -14.251 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.587 -10.358 -14.250 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.181 -12.204 -14.242 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.361 -10.782 -15.297 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.006 -12.376 -16.005 1.00 0.00 H new ATOM 368 N GLU B 25 14.619 -11.634 -19.939 1.00 0.00 N ATOM 369 CA GLU B 25 14.257 -11.116 -21.247 1.00 0.00 C ATOM 370 C GLU B 25 13.916 -12.267 -22.184 1.00 0.00 C ATOM 371 O GLU B 25 13.121 -12.122 -23.112 1.00 0.00 O ATOM 372 CB GLU B 25 15.438 -10.357 -21.855 1.00 0.00 C ATOM 373 CG GLU B 25 15.676 -9.074 -21.080 1.00 0.00 C ATOM 374 CD GLU B 25 16.764 -8.223 -21.730 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.952 -8.583 -21.576 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.401 -7.217 -22.380 1.00 0.00 O ATOM 0 H GLU B 25 15.623 -11.708 -19.775 1.00 0.00 H new ATOM 0 HA GLU B 25 13.400 -10.453 -21.126 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.333 -10.979 -21.831 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.236 -10.129 -22.902 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.749 -8.503 -21.026 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.963 -9.314 -20.056 1.00 0.00 H new ATOM 383 N ALA B 26 14.532 -13.418 -21.924 1.00 0.00 N ATOM 384 CA ALA B 26 14.402 -14.599 -22.754 1.00 0.00 C ATOM 385 C ALA B 26 13.116 -15.352 -22.447 1.00 0.00 C ATOM 386 O ALA B 26 12.611 -16.093 -23.290 1.00 0.00 O ATOM 387 CB ALA B 26 15.597 -15.499 -22.466 1.00 0.00 C ATOM 0 H ALA B 26 15.143 -13.552 -21.118 1.00 0.00 H new ATOM 0 HA ALA B 26 14.371 -14.304 -23.803 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.530 -16.400 -23.076 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.518 -14.968 -22.704 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.599 -15.775 -21.411 1.00 0.00 H new ATOM 393 N VAL B 27 12.584 -15.163 -21.236 1.00 0.00 N ATOM 394 CA VAL B 27 11.409 -15.893 -20.789 1.00 0.00 C ATOM 395 C VAL B 27 10.134 -15.070 -20.916 1.00 0.00 C ATOM 396 O VAL B 27 9.081 -15.596 -21.264 1.00 0.00 O ATOM 397 CB VAL B 27 11.664 -16.311 -19.356 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.527 -15.143 -18.400 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.695 -17.396 -18.918 1.00 0.00 C ATOM 0 H VAL B 27 12.955 -14.506 -20.550 1.00 0.00 H new ATOM 0 HA VAL B 27 11.250 -16.766 -21.422 1.00 0.00 H new ATOM 0 HB VAL B 27 12.686 -16.690 -19.325 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.717 -15.482 -17.382 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.247 -14.369 -18.665 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.518 -14.736 -18.465 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.904 -17.675 -17.885 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.673 -17.024 -18.994 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.812 -18.269 -19.560 1.00 0.00 H new ATOM 409 N PHE B 28 10.224 -13.772 -20.636 1.00 0.00 N ATOM 410 CA PHE B 28 9.083 -12.886 -20.798 1.00 0.00 C ATOM 411 C PHE B 28 9.039 -12.314 -22.210 1.00 0.00 C ATOM 412 O PHE B 28 8.043 -11.705 -22.600 1.00 0.00 O ATOM 413 CB PHE B 28 9.087 -11.801 -19.730 1.00 0.00 C ATOM 414 CG PHE B 28 8.791 -12.341 -18.349 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.466 -12.561 -17.948 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.842 -12.635 -17.473 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.200 -13.090 -16.678 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.580 -13.174 -16.208 1.00 0.00 C ATOM 419 CZ PHE B 28 8.254 -13.401 -15.813 1.00 0.00 C ATOM 0 H PHE B 28 11.072 -13.316 -20.298 1.00 0.00 H new ATOM 0 HA PHE B 28 8.168 -13.463 -20.661 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.059 -11.308 -19.722 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.347 -11.043 -19.985 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.652 -12.323 -18.617 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.861 -12.445 -17.775 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.180 -13.258 -16.367 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.394 -13.414 -15.540 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.046 -13.817 -14.838 1.00 0.00 H new ATOM 429 N GLY B 29 10.108 -12.507 -22.989 1.00 0.00 N ATOM 430 CA GLY B 29 10.120 -12.085 -24.383 1.00 0.00 C ATOM 431 C GLY B 29 9.285 -13.034 -25.239 1.00 0.00 C ATOM 432 O GLY B 29 9.097 -12.805 -26.432 1.00 0.00 O ATOM 0 H GLY B 29 10.971 -12.951 -22.675 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.727 -11.072 -24.465 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.145 -12.060 -24.752 1.00 0.00 H new ATOM 436 N LYS B 30 8.786 -14.102 -24.614 1.00 0.00 N ATOM 437 CA LYS B 30 7.978 -15.130 -25.246 1.00 0.00 C ATOM 438 C LYS B 30 6.536 -14.677 -25.413 1.00 0.00 C ATOM 439 O LYS B 30 5.770 -15.286 -26.157 1.00 0.00 O ATOM 440 CB LYS B 30 8.037 -16.369 -24.353 1.00 0.00 C ATOM 441 CG LYS B 30 9.481 -16.856 -24.236 1.00 0.00 C ATOM 442 CD LYS B 30 9.647 -18.005 -23.231 1.00 0.00 C ATOM 443 CE LYS B 30 8.498 -19.009 -23.307 1.00 0.00 C ATOM 444 NZ LYS B 30 8.751 -20.175 -22.440 1.00 0.00 N ATOM 0 H LYS B 30 8.942 -14.275 -23.621 1.00 0.00 H new ATOM 0 HA LYS B 30 8.365 -15.344 -26.242 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.641 -16.135 -23.365 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.410 -17.158 -24.769 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.828 -17.184 -25.216 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.116 -16.023 -23.935 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.589 -18.519 -23.422 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.705 -17.597 -22.222 1.00 0.00 H new ATOM 0 HE2 LYS B 30 7.568 -18.525 -23.008 1.00 0.00 H new ATOM 0 HE3 LYS B 30 8.368 -19.340 -24.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 7.955 -20.840 -22.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.626 -20.649 -22.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 8.851 -19.859 -21.454 1.00 0.00 H new ATOM 458 N TYR B 31 6.184 -13.601 -24.712 1.00 0.00 N ATOM 459 CA TYR B 31 4.834 -13.066 -24.699 1.00 0.00 C ATOM 460 C TYR B 31 4.724 -11.725 -25.421 1.00 0.00 C ATOM 461 O TYR B 31 3.626 -11.330 -25.811 1.00 0.00 O ATOM 462 CB TYR B 31 4.414 -12.933 -23.240 1.00 0.00 C ATOM 463 CG TYR B 31 4.488 -14.244 -22.489 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.503 -15.218 -22.705 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.541 -14.482 -21.593 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.585 -16.447 -22.039 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.621 -15.711 -20.912 1.00 0.00 C ATOM 468 CZ TYR B 31 4.653 -16.710 -21.160 1.00 0.00 C ATOM 469 OH TYR B 31 4.743 -17.926 -20.551 1.00 0.00 O ATOM 0 H TYR B 31 6.838 -13.075 -24.133 1.00 0.00 H new ATOM 0 HA TYR B 31 4.173 -13.744 -25.239 1.00 0.00 H new ATOM 0 HB2 TYR B 31 5.053 -12.200 -22.748 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.395 -12.549 -23.193 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.685 -15.021 -23.382 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.290 -13.722 -21.426 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.825 -17.197 -22.200 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.417 -15.889 -20.204 1.00 0.00 H new ATOM 0 HH TYR B 31 5.685 -18.140 -20.385 1.00 0.00 H new ATOM 479 N GLY B 32 5.844 -11.022 -25.604 1.00 0.00 N ATOM 480 CA GLY B 32 5.854 -9.726 -26.260 1.00 0.00 C ATOM 481 C GLY B 32 7.254 -9.186 -26.412 1.00 0.00 C ATOM 482 O GLY B 32 8.183 -9.648 -25.749 1.00 0.00 O ATOM 0 H GLY B 32 6.764 -11.340 -25.300 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.389 -9.812 -27.242 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.254 -9.022 -25.684 1.00 0.00 H new ATOM 486 N ARG B 33 7.407 -8.196 -27.293 1.00 0.00 N ATOM 487 CA ARG B 33 8.701 -7.575 -27.449 1.00 0.00 C ATOM 488 C ARG B 33 8.931 -6.673 -26.247 1.00 0.00 C ATOM 489 O ARG B 33 8.126 -5.798 -25.918 1.00 0.00 O ATOM 490 CB ARG B 33 8.855 -6.889 -28.807 1.00 0.00 C ATOM 491 CG ARG B 33 8.004 -5.628 -28.916 1.00 0.00 C ATOM 492 CD ARG B 33 8.229 -4.963 -30.269 1.00 0.00 C ATOM 493 NE ARG B 33 7.744 -5.799 -31.375 1.00 0.00 N ATOM 494 CZ ARG B 33 7.495 -5.335 -32.601 1.00 0.00 C ATOM 495 NH1 ARG B 33 7.680 -4.053 -32.894 1.00 0.00 N ATOM 496 NH2 ARG B 33 7.060 -6.160 -33.550 1.00 0.00 N ATOM 0 H ARG B 33 6.668 -7.823 -27.889 1.00 0.00 H new ATOM 0 HA ARG B 33 9.491 -8.325 -27.462 1.00 0.00 H new ATOM 0 HB2 ARG B 33 9.903 -6.633 -28.966 1.00 0.00 H new ATOM 0 HB3 ARG B 33 8.573 -7.585 -29.597 1.00 0.00 H new ATOM 0 HG2 ARG B 33 6.950 -5.879 -28.796 1.00 0.00 H new ATOM 0 HG3 ARG B 33 8.260 -4.936 -28.114 1.00 0.00 H new ATOM 0 HD2 ARG B 33 7.718 -4.000 -30.290 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.292 -4.763 -30.404 1.00 0.00 H new ATOM 0 HE ARG B 33 7.589 -6.791 -31.196 1.00 0.00 H new ATOM 0 HH11 ARG B 33 8.016 -3.410 -32.178 1.00 0.00 H new ATOM 0 HH12 ARG B 33 7.486 -3.712 -33.835 1.00 0.00 H new ATOM 0 HH21 ARG B 33 6.917 -7.148 -33.341 1.00 0.00 H new ATOM 0 HH22 ARG B 33 6.870 -5.805 -34.487 1.00 0.00 H new ATOM 510 N ILE B 34 10.058 -6.917 -25.597 1.00 0.00 N ATOM 511 CA ILE B 34 10.480 -6.209 -24.401 1.00 0.00 C ATOM 512 C ILE B 34 11.131 -4.881 -24.773 1.00 0.00 C ATOM 513 O ILE B 34 11.810 -4.774 -25.794 1.00 0.00 O ATOM 514 CB ILE B 34 11.414 -7.115 -23.591 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.586 -8.283 -23.044 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.092 -6.349 -22.456 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.421 -9.243 -22.200 1.00 0.00 C ATOM 0 H ILE B 34 10.721 -7.632 -25.896 1.00 0.00 H new ATOM 0 HA ILE B 34 9.618 -5.969 -23.778 1.00 0.00 H new ATOM 0 HB ILE B 34 12.210 -7.488 -24.235 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.766 -7.893 -22.441 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.139 -8.829 -23.875 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.747 -7.022 -21.903 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.680 -5.530 -22.870 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.333 -5.947 -21.784 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.788 -10.052 -21.836 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.225 -9.657 -22.808 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.846 -8.706 -21.352 1.00 0.00 H new ATOM 529 N VAL B 35 10.916 -3.873 -23.927 1.00 0.00 N ATOM 530 CA VAL B 35 11.502 -2.548 -24.102 1.00 0.00 C ATOM 531 C VAL B 35 12.485 -2.260 -22.972 1.00 0.00 C ATOM 532 O VAL B 35 13.381 -1.433 -23.130 1.00 0.00 O ATOM 533 CB VAL B 35 10.409 -1.468 -24.157 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.540 -0.676 -25.452 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.990 -2.029 -24.091 1.00 0.00 C ATOM 0 H VAL B 35 10.327 -3.955 -23.098 1.00 0.00 H new ATOM 0 HA VAL B 35 12.040 -2.529 -25.050 1.00 0.00 H new ATOM 0 HB VAL B 35 10.560 -0.841 -23.278 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.765 0.089 -25.490 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.521 -0.202 -25.491 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.428 -1.348 -26.303 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.272 -1.210 -24.135 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.825 -2.701 -24.933 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.858 -2.577 -23.158 1.00 0.00 H new ATOM 545 N GLU B 36 12.318 -2.939 -21.834 1.00 0.00 N ATOM 546 CA GLU B 36 13.219 -2.820 -20.695 1.00 0.00 C ATOM 547 C GLU B 36 13.042 -4.026 -19.775 1.00 0.00 C ATOM 548 O GLU B 36 11.958 -4.599 -19.708 1.00 0.00 O ATOM 549 CB GLU B 36 12.907 -1.521 -19.945 1.00 0.00 C ATOM 550 CG GLU B 36 13.826 -1.336 -18.737 1.00 0.00 C ATOM 551 CD GLU B 36 13.631 0.043 -18.109 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.325 0.984 -18.554 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.793 0.153 -17.186 1.00 0.00 O ATOM 0 H GLU B 36 11.548 -3.590 -21.681 1.00 0.00 H new ATOM 0 HA GLU B 36 14.254 -2.794 -21.037 1.00 0.00 H new ATOM 0 HB2 GLU B 36 13.019 -0.674 -20.621 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.868 -1.531 -19.615 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.620 -2.109 -17.997 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.865 -1.457 -19.044 1.00 0.00 H new ATOM 560 N VAL B 37 14.099 -4.413 -19.057 1.00 0.00 N ATOM 561 CA VAL B 37 14.007 -5.430 -18.023 1.00 0.00 C ATOM 562 C VAL B 37 14.799 -4.993 -16.802 1.00 0.00 C ATOM 563 O VAL B 37 15.819 -4.309 -16.913 1.00 0.00 O ATOM 564 CB VAL B 37 14.454 -6.809 -18.535 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.101 -7.670 -17.449 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.225 -7.572 -19.023 1.00 0.00 C ATOM 0 H VAL B 37 15.036 -4.028 -19.180 1.00 0.00 H new ATOM 0 HA VAL B 37 12.961 -5.538 -17.735 1.00 0.00 H new ATOM 0 HB VAL B 37 15.186 -6.629 -19.322 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.395 -8.630 -17.873 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.982 -7.161 -17.058 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.388 -7.833 -16.641 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.528 -8.553 -19.389 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.521 -7.693 -18.199 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.747 -7.015 -19.829 1.00 0.00 H new ATOM 576 N LEU B 38 14.310 -5.404 -15.635 1.00 0.00 N ATOM 577 CA LEU B 38 14.953 -5.163 -14.354 1.00 0.00 C ATOM 578 C LEU B 38 15.210 -6.494 -13.686 1.00 0.00 C ATOM 579 O LEU B 38 14.532 -7.482 -13.965 1.00 0.00 O ATOM 580 CB LEU B 38 14.016 -4.340 -13.481 1.00 0.00 C ATOM 581 CG LEU B 38 14.356 -2.850 -13.485 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.226 -2.077 -12.815 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.627 -2.585 -12.688 1.00 0.00 C ATOM 0 H LEU B 38 13.437 -5.925 -15.556 1.00 0.00 H new ATOM 0 HA LEU B 38 15.892 -4.628 -14.496 1.00 0.00 H new ATOM 0 HB2 LEU B 38 12.992 -4.475 -13.828 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.058 -4.714 -12.458 1.00 0.00 H new ATOM 0 HG LEU B 38 14.495 -2.535 -14.519 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.463 -1.013 -12.815 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.298 -2.242 -13.362 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.108 -2.422 -11.788 1.00 0.00 H new ATOM 0 HD21 LEU B 38 15.851 -1.518 -12.704 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.485 -2.911 -11.658 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.456 -3.136 -13.132 1.00 0.00 H new ATOM 595 N LEU B 39 16.191 -6.509 -12.793 1.00 0.00 N ATOM 596 CA LEU B 39 16.463 -7.664 -11.978 1.00 0.00 C ATOM 597 C LEU B 39 17.158 -7.152 -10.727 1.00 0.00 C ATOM 598 O LEU B 39 18.211 -6.523 -10.818 1.00 0.00 O ATOM 599 CB LEU B 39 17.332 -8.609 -12.810 1.00 0.00 C ATOM 600 CG LEU B 39 17.806 -9.895 -12.130 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.061 -9.668 -11.298 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.744 -10.555 -11.263 1.00 0.00 C ATOM 0 H LEU B 39 16.813 -5.719 -12.621 1.00 0.00 H new ATOM 0 HA LEU B 39 15.575 -8.218 -11.673 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.773 -8.885 -13.704 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.211 -8.057 -13.142 1.00 0.00 H new ATOM 0 HG LEU B 39 18.031 -10.575 -12.952 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.364 -10.606 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.863 -9.307 -11.941 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.856 -8.929 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.152 -11.460 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.437 -9.866 -10.476 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.881 -10.812 -11.877 1.00 0.00 H new ATOM 614 N MET B 40 16.575 -7.417 -9.559 1.00 0.00 N ATOM 615 CA MET B 40 17.102 -6.860 -8.325 1.00 0.00 C ATOM 616 C MET B 40 18.128 -7.811 -7.744 1.00 0.00 C ATOM 617 O MET B 40 17.906 -9.017 -7.751 1.00 0.00 O ATOM 618 CB MET B 40 15.988 -6.597 -7.306 1.00 0.00 C ATOM 619 CG MET B 40 14.836 -5.709 -7.809 1.00 0.00 C ATOM 620 SD MET B 40 15.011 -4.909 -9.428 1.00 0.00 S ATOM 621 CE MET B 40 16.235 -3.633 -9.046 1.00 0.00 C ATOM 0 H MET B 40 15.750 -8.006 -9.446 1.00 0.00 H new ATOM 0 HA MET B 40 17.572 -5.903 -8.552 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.575 -7.554 -6.988 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.427 -6.130 -6.424 1.00 0.00 H new ATOM 0 HG2 MET B 40 13.933 -6.319 -7.835 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.671 -4.927 -7.068 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.858 -2.661 -9.363 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.421 -3.617 -7.972 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.164 -3.851 -9.572 1.00 0.00 H new ATOM 631 N LYS B 41 19.243 -7.277 -7.238 1.00 0.00 N ATOM 632 CA LYS B 41 20.233 -8.091 -6.550 1.00 0.00 C ATOM 633 C LYS B 41 20.989 -7.300 -5.492 1.00 0.00 C ATOM 634 O LYS B 41 21.099 -6.078 -5.569 1.00 0.00 O ATOM 635 CB LYS B 41 21.213 -8.754 -7.526 1.00 0.00 C ATOM 636 CG LYS B 41 21.366 -7.990 -8.839 1.00 0.00 C ATOM 637 CD LYS B 41 22.510 -8.578 -9.659 1.00 0.00 C ATOM 638 CE LYS B 41 22.618 -7.822 -10.983 1.00 0.00 C ATOM 639 NZ LYS B 41 23.710 -8.356 -11.819 1.00 0.00 N ATOM 0 H LYS B 41 19.477 -6.286 -7.295 1.00 0.00 H new ATOM 0 HA LYS B 41 19.677 -8.881 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.189 -8.840 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS B 41 20.872 -9.767 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.438 -8.040 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.559 -6.937 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.446 -8.503 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.334 -9.638 -9.845 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.674 -7.895 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.792 -6.764 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.758 -7.822 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.613 -8.263 -11.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.530 -9.359 -12.025 1.00 0.00 H new ATOM 765 N ARG B 49 17.566 -10.543 -5.472 1.00 0.00 N ATOM 766 CA ARG B 49 16.775 -10.286 -4.277 1.00 0.00 C ATOM 767 C ARG B 49 15.496 -11.130 -4.295 1.00 0.00 C ATOM 768 O ARG B 49 14.660 -11.013 -3.402 1.00 0.00 O ATOM 769 CB ARG B 49 16.464 -8.792 -4.146 1.00 0.00 C ATOM 770 CG ARG B 49 17.722 -7.923 -4.186 1.00 0.00 C ATOM 771 CD ARG B 49 17.721 -6.827 -3.121 1.00 0.00 C ATOM 772 NE ARG B 49 16.663 -5.837 -3.345 1.00 0.00 N ATOM 773 CZ ARG B 49 15.660 -5.576 -2.499 1.00 0.00 C ATOM 774 NH1 ARG B 49 15.508 -6.261 -1.368 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.803 -4.611 -2.803 1.00 0.00 N ATOM 0 HA ARG B 49 17.355 -10.577 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.794 -8.492 -4.952 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.935 -8.616 -3.210 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.599 -8.555 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG B 49 17.810 -7.465 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.591 -7.279 -2.138 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.689 -6.327 -3.116 1.00 0.00 H new ATOM 0 HE ARG B 49 16.694 -5.305 -4.215 1.00 0.00 H new ATOM 0 HH11 ARG B 49 16.165 -7.004 -1.130 1.00 0.00 H new ATOM 0 HH12 ARG B 49 14.735 -6.043 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.915 -4.083 -3.669 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.031 -4.396 -2.171 1.00 0.00 H new ATOM 789 N GLY B 50 15.357 -11.978 -5.318 1.00 0.00 N ATOM 790 CA GLY B 50 14.233 -12.887 -5.466 1.00 0.00 C ATOM 791 C GLY B 50 13.058 -12.251 -6.202 1.00 0.00 C ATOM 792 O GLY B 50 12.037 -12.904 -6.386 1.00 0.00 O ATOM 0 H GLY B 50 16.037 -12.048 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.558 -13.776 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY B 50 13.904 -13.216 -4.480 1.00 0.00 H new ATOM 796 N PHE B 51 13.181 -10.990 -6.628 1.00 0.00 N ATOM 797 CA PHE B 51 12.135 -10.355 -7.418 1.00 0.00 C ATOM 798 C PHE B 51 12.744 -9.469 -8.503 1.00 0.00 C ATOM 799 O PHE B 51 13.894 -9.044 -8.402 1.00 0.00 O ATOM 800 CB PHE B 51 11.167 -9.587 -6.518 1.00 0.00 C ATOM 801 CG PHE B 51 11.696 -8.300 -5.931 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.506 -8.321 -4.786 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.354 -7.080 -6.527 1.00 0.00 C ATOM 804 CE1 PHE B 51 12.957 -7.117 -4.233 1.00 0.00 C ATOM 805 CE2 PHE B 51 11.790 -5.876 -5.960 1.00 0.00 C ATOM 806 CZ PHE B 51 12.594 -5.894 -4.818 1.00 0.00 C ATOM 0 H PHE B 51 13.989 -10.397 -6.438 1.00 0.00 H new ATOM 0 HA PHE B 51 11.556 -11.129 -7.922 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.269 -9.360 -7.092 1.00 0.00 H new ATOM 0 HB3 PHE B 51 10.865 -10.241 -5.700 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.780 -9.262 -4.333 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.754 -7.068 -7.425 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.585 -7.129 -3.355 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.505 -4.934 -6.405 1.00 0.00 H new ATOM 0 HZ PHE B 51 12.937 -4.966 -4.385 1.00 0.00 H new ATOM 816 N ALA B 52 11.960 -9.196 -9.546 1.00 0.00 N ATOM 817 CA ALA B 52 12.418 -8.446 -10.702 1.00 0.00 C ATOM 818 C ALA B 52 11.248 -7.740 -11.381 1.00 0.00 C ATOM 819 O ALA B 52 10.109 -7.846 -10.927 1.00 0.00 O ATOM 820 CB ALA B 52 13.065 -9.434 -11.668 1.00 0.00 C ATOM 0 H ALA B 52 10.986 -9.493 -9.607 1.00 0.00 H new ATOM 0 HA ALA B 52 13.134 -7.683 -10.395 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.421 -8.901 -12.550 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.905 -9.925 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.332 -10.183 -11.968 1.00 0.00 H new ATOM 826 N PHE B 53 11.533 -7.023 -12.473 1.00 0.00 N ATOM 827 CA PHE B 53 10.513 -6.319 -13.239 1.00 0.00 C ATOM 828 C PHE B 53 10.814 -6.440 -14.730 1.00 0.00 C ATOM 829 O PHE B 53 11.936 -6.750 -15.120 1.00 0.00 O ATOM 830 CB PHE B 53 10.440 -4.847 -12.811 1.00 0.00 C ATOM 831 CG PHE B 53 10.183 -4.642 -11.341 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.242 -4.789 -10.434 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.904 -4.310 -10.884 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.012 -4.636 -9.063 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.672 -4.159 -9.511 1.00 0.00 C ATOM 836 CZ PHE B 53 9.723 -4.331 -8.599 1.00 0.00 C ATOM 0 H PHE B 53 12.477 -6.918 -12.846 1.00 0.00 H new ATOM 0 HA PHE B 53 9.542 -6.772 -13.042 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.377 -4.357 -13.076 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.650 -4.354 -13.378 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.234 -5.020 -10.794 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.097 -4.170 -11.588 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.825 -4.752 -8.362 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.683 -3.910 -9.155 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.541 -4.229 -7.539 1.00 0.00 H new ATOM 846 N VAL B 54 9.814 -6.194 -15.575 1.00 0.00 N ATOM 847 CA VAL B 54 9.986 -6.229 -17.020 1.00 0.00 C ATOM 848 C VAL B 54 8.967 -5.311 -17.669 1.00 0.00 C ATOM 849 O VAL B 54 7.817 -5.280 -17.244 1.00 0.00 O ATOM 850 CB VAL B 54 9.823 -7.662 -17.544 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.576 -8.332 -17.041 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.829 -7.724 -19.070 1.00 0.00 C ATOM 0 H VAL B 54 8.866 -5.966 -15.275 1.00 0.00 H new ATOM 0 HA VAL B 54 10.990 -5.887 -17.271 1.00 0.00 H new ATOM 0 HB VAL B 54 10.688 -8.200 -17.156 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.517 -9.342 -17.446 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.602 -8.379 -15.952 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.703 -7.762 -17.359 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.711 -8.758 -19.393 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.006 -7.126 -19.462 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.774 -7.332 -19.446 1.00 0.00 H new ATOM 862 N THR B 55 9.387 -4.568 -18.695 1.00 0.00 N ATOM 863 CA THR B 55 8.498 -3.681 -19.427 1.00 0.00 C ATOM 864 C THR B 55 8.282 -4.204 -20.835 1.00 0.00 C ATOM 865 O THR B 55 9.235 -4.374 -21.600 1.00 0.00 O ATOM 866 CB THR B 55 9.049 -2.259 -19.468 1.00 0.00 C ATOM 867 OG1 THR B 55 9.320 -1.806 -18.158 1.00 0.00 O ATOM 868 CG2 THR B 55 8.010 -1.326 -20.091 1.00 0.00 C ATOM 0 H THR B 55 10.348 -4.568 -19.036 1.00 0.00 H new ATOM 0 HA THR B 55 7.541 -3.655 -18.907 1.00 0.00 H new ATOM 0 HB THR B 55 9.965 -2.258 -20.058 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.675 -0.893 -18.194 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.404 -0.310 -20.120 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.785 -1.657 -21.105 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.099 -1.345 -19.493 1.00 0.00 H new ATOM 876 N PHE B 56 7.017 -4.451 -21.166 1.00 0.00 N ATOM 877 CA PHE B 56 6.595 -4.851 -22.496 1.00 0.00 C ATOM 878 C PHE B 56 6.215 -3.629 -23.324 1.00 0.00 C ATOM 879 O PHE B 56 5.846 -2.592 -22.773 1.00 0.00 O ATOM 880 CB PHE B 56 5.391 -5.776 -22.366 1.00 0.00 C ATOM 881 CG PHE B 56 5.718 -7.154 -21.841 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.205 -7.356 -20.537 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.521 -8.248 -22.688 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.490 -8.652 -20.091 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.784 -9.541 -22.235 1.00 0.00 C ATOM 886 CZ PHE B 56 6.255 -9.748 -20.932 1.00 0.00 C ATOM 0 H PHE B 56 6.246 -4.376 -20.502 1.00 0.00 H new ATOM 0 HA PHE B 56 7.414 -5.366 -22.998 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.661 -5.312 -21.703 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.917 -5.875 -23.343 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.359 -6.512 -19.881 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.164 -8.092 -23.695 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.890 -8.807 -19.100 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.624 -10.384 -22.890 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.437 -10.751 -20.576 1.00 0.00 H new ATOM 896 N GLU B 57 6.300 -3.749 -24.653 1.00 0.00 N ATOM 897 CA GLU B 57 5.872 -2.675 -25.536 1.00 0.00 C ATOM 898 C GLU B 57 4.353 -2.662 -25.653 1.00 0.00 C ATOM 899 O GLU B 57 3.773 -1.626 -25.983 1.00 0.00 O ATOM 900 CB GLU B 57 6.488 -2.855 -26.918 1.00 0.00 C ATOM 901 CG GLU B 57 7.278 -1.609 -27.323 1.00 0.00 C ATOM 902 CD GLU B 57 7.890 -1.766 -28.712 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.155 -1.527 -29.696 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.086 -2.123 -28.783 1.00 0.00 O ATOM 0 H GLU B 57 6.659 -4.575 -25.132 1.00 0.00 H new ATOM 0 HA GLU B 57 6.206 -1.727 -25.115 1.00 0.00 H new ATOM 0 HB2 GLU B 57 7.145 -3.725 -26.919 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.703 -3.048 -27.649 1.00 0.00 H new ATOM 0 HG2 GLU B 57 6.621 -0.739 -27.309 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.067 -1.424 -26.595 1.00 0.00 H new ATOM 911 N SER B 58 3.701 -3.800 -25.385 1.00 0.00 N ATOM 912 CA SER B 58 2.255 -3.842 -25.381 1.00 0.00 C ATOM 913 C SER B 58 1.771 -4.135 -23.970 1.00 0.00 C ATOM 914 O SER B 58 2.320 -5.011 -23.300 1.00 0.00 O ATOM 915 CB SER B 58 1.769 -4.884 -26.382 1.00 0.00 C ATOM 916 OG SER B 58 0.369 -5.049 -26.269 1.00 0.00 O ATOM 0 H SER B 58 4.156 -4.688 -25.172 1.00 0.00 H new ATOM 0 HA SER B 58 1.843 -2.880 -25.686 1.00 0.00 H new ATOM 0 HB2 SER B 58 2.026 -4.574 -27.395 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.271 -5.835 -26.202 1.00 0.00 H new ATOM 0 HG SER B 58 0.065 -5.719 -26.917 1.00 0.00 H new ATOM 922 N PRO B 59 0.746 -3.411 -23.506 1.00 0.00 N ATOM 923 CA PRO B 59 0.220 -3.564 -22.168 1.00 0.00 C ATOM 924 C PRO B 59 -0.639 -4.817 -22.073 1.00 0.00 C ATOM 925 O PRO B 59 -1.181 -5.090 -21.007 1.00 0.00 O ATOM 926 CB PRO B 59 -0.626 -2.321 -21.942 1.00 0.00 C ATOM 927 CG PRO B 59 -1.203 -2.093 -23.331 1.00 0.00 C ATOM 928 CD PRO B 59 0.002 -2.389 -24.223 1.00 0.00 C ATOM 0 HA PRO B 59 1.009 -3.668 -21.423 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.404 -2.484 -21.196 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.030 -1.475 -21.601 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.040 -2.759 -23.540 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.567 -1.074 -23.460 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.310 -2.742 -25.206 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.607 -1.496 -24.382 1.00 0.00 H new ATOM 936 N ALA B 60 -0.767 -5.572 -23.173 1.00 0.00 N ATOM 937 CA ALA B 60 -1.531 -6.806 -23.188 1.00 0.00 C ATOM 938 C ALA B 60 -0.644 -8.000 -23.527 1.00 0.00 C ATOM 939 O ALA B 60 -1.045 -9.143 -23.320 1.00 0.00 O ATOM 940 CB ALA B 60 -2.708 -6.668 -24.149 1.00 0.00 C ATOM 0 H ALA B 60 -0.341 -5.337 -24.070 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.929 -6.993 -22.191 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.280 -7.596 -24.159 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.350 -5.849 -23.823 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.336 -6.461 -25.152 1.00 0.00 H new ATOM 946 N ASP B 61 0.563 -7.752 -24.044 1.00 0.00 N ATOM 947 CA ASP B 61 1.547 -8.815 -24.182 1.00 0.00 C ATOM 948 C ASP B 61 2.051 -9.159 -22.786 1.00 0.00 C ATOM 949 O ASP B 61 2.443 -10.291 -22.515 1.00 0.00 O ATOM 950 CB ASP B 61 2.706 -8.338 -25.052 1.00 0.00 C ATOM 951 CG ASP B 61 2.364 -8.248 -26.540 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.213 -8.576 -26.906 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.269 -7.849 -27.305 1.00 0.00 O ATOM 0 H ASP B 61 0.874 -6.836 -24.368 1.00 0.00 H new ATOM 0 HA ASP B 61 1.103 -9.691 -24.655 1.00 0.00 H new ATOM 0 HB2 ASP B 61 3.030 -7.358 -24.703 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.549 -9.017 -24.923 1.00 0.00 H new ATOM 958 N ALA B 62 2.027 -8.165 -21.893 1.00 0.00 N ATOM 959 CA ALA B 62 2.374 -8.354 -20.502 1.00 0.00 C ATOM 960 C ALA B 62 1.234 -9.051 -19.761 1.00 0.00 C ATOM 961 O ALA B 62 1.483 -9.786 -18.812 1.00 0.00 O ATOM 962 CB ALA B 62 2.648 -6.990 -19.883 1.00 0.00 C ATOM 0 H ALA B 62 1.764 -7.208 -22.126 1.00 0.00 H new ATOM 0 HA ALA B 62 3.262 -8.982 -20.424 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.912 -7.113 -18.833 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.473 -6.510 -20.410 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.756 -6.369 -19.963 1.00 0.00 H new ATOM 968 N LYS B 63 -0.013 -8.825 -20.187 1.00 0.00 N ATOM 969 CA LYS B 63 -1.154 -9.496 -19.587 1.00 0.00 C ATOM 970 C LYS B 63 -1.126 -10.962 -19.982 1.00 0.00 C ATOM 971 O LYS B 63 -1.458 -11.827 -19.181 1.00 0.00 O ATOM 972 CB LYS B 63 -2.459 -8.857 -20.066 1.00 0.00 C ATOM 973 CG LYS B 63 -2.557 -7.420 -19.545 1.00 0.00 C ATOM 974 CD LYS B 63 -3.763 -6.664 -20.109 1.00 0.00 C ATOM 975 CE LYS B 63 -5.067 -7.342 -19.686 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.239 -6.595 -20.183 1.00 0.00 N ATOM 0 H LYS B 63 -0.250 -8.183 -20.943 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.100 -9.401 -18.502 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.498 -8.862 -21.155 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.310 -9.440 -19.714 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.621 -7.437 -18.457 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.644 -6.882 -19.802 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -3.751 -5.633 -19.755 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.701 -6.629 -21.197 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.092 -8.362 -20.070 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.109 -7.410 -18.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.111 -7.076 -19.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.225 -5.630 -19.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.208 -6.552 -21.222 1.00 0.00 H new ATOM 990 N ASP B 64 -0.731 -11.252 -21.219 1.00 0.00 N ATOM 991 CA ASP B 64 -0.695 -12.618 -21.702 1.00 0.00 C ATOM 992 C ASP B 64 0.395 -13.397 -20.976 1.00 0.00 C ATOM 993 O ASP B 64 0.266 -14.601 -20.770 1.00 0.00 O ATOM 994 CB ASP B 64 -0.413 -12.581 -23.199 1.00 0.00 C ATOM 995 CG ASP B 64 -0.608 -13.945 -23.857 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.748 -14.455 -23.780 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.377 -14.461 -24.427 1.00 0.00 O ATOM 0 H ASP B 64 -0.432 -10.555 -21.901 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.647 -13.114 -21.514 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.072 -11.853 -23.673 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.609 -12.242 -23.366 1.00 0.00 H new ATOM 1002 N ALA B 65 1.468 -12.707 -20.584 1.00 0.00 N ATOM 1003 CA ALA B 65 2.509 -13.319 -19.774 1.00 0.00 C ATOM 1004 C ALA B 65 2.031 -13.464 -18.336 1.00 0.00 C ATOM 1005 O ALA B 65 2.218 -14.508 -17.718 1.00 0.00 O ATOM 1006 CB ALA B 65 3.771 -12.462 -19.813 1.00 0.00 C ATOM 0 H ALA B 65 1.633 -11.728 -20.816 1.00 0.00 H new ATOM 0 HA ALA B 65 2.735 -14.306 -20.177 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.546 -12.927 -19.204 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.121 -12.376 -20.842 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.549 -11.469 -19.421 1.00 0.00 H new ATOM 1012 N ALA B 66 1.411 -12.416 -17.792 1.00 0.00 N ATOM 1013 CA ALA B 66 0.974 -12.406 -16.407 1.00 0.00 C ATOM 1014 C ALA B 66 -0.222 -13.340 -16.193 1.00 0.00 C ATOM 1015 O ALA B 66 -0.597 -13.624 -15.058 1.00 0.00 O ATOM 1016 CB ALA B 66 0.653 -10.954 -16.031 1.00 0.00 C ATOM 0 H ALA B 66 1.201 -11.557 -18.301 1.00 0.00 H new ATOM 0 HA ALA B 66 1.762 -12.784 -15.756 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.321 -10.912 -14.994 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.546 -10.341 -16.151 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.137 -10.576 -16.680 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.817 -13.823 -17.289 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.872 -14.832 -17.269 1.00 0.00 C ATOM 1024 C ARG B 67 -1.350 -16.236 -17.579 1.00 0.00 C ATOM 1025 O ARG B 67 -2.152 -17.162 -17.697 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.950 -14.437 -18.279 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.705 -13.197 -17.798 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.731 -12.745 -18.838 1.00 0.00 C ATOM 1029 NE ARG B 67 -4.091 -12.323 -20.089 1.00 0.00 N ATOM 1030 CZ ARG B 67 -4.757 -11.939 -21.180 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -6.085 -11.922 -21.193 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -4.096 -11.564 -22.271 1.00 0.00 N ATOM 0 H ARG B 67 -0.572 -13.516 -18.230 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.285 -14.868 -16.261 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.493 -14.239 -19.249 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.647 -15.263 -18.418 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.208 -13.415 -16.856 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.999 -12.390 -17.603 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -5.425 -13.561 -19.042 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -5.318 -11.920 -18.434 1.00 0.00 H new ATOM 0 HE ARG B 67 -3.072 -12.323 -20.127 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -6.607 -12.204 -20.363 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -6.583 -11.627 -22.033 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -3.076 -11.569 -22.276 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -4.609 -11.271 -23.103 1.00 0.00 H new ATOM 1046 N ASP B 68 -0.033 -16.421 -17.712 1.00 0.00 N ATOM 1047 CA ASP B 68 0.531 -17.695 -18.117 1.00 0.00 C ATOM 1048 C ASP B 68 1.608 -18.099 -17.131 1.00 0.00 C ATOM 1049 O ASP B 68 1.612 -19.206 -16.597 1.00 0.00 O ATOM 1050 CB ASP B 68 1.212 -17.479 -19.462 1.00 0.00 C ATOM 1051 CG ASP B 68 0.399 -18.040 -20.622 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.791 -17.673 -20.740 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.978 -18.838 -21.394 1.00 0.00 O ATOM 0 H ASP B 68 0.661 -15.693 -17.542 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.247 -18.457 -18.164 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.373 -16.412 -19.617 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.194 -17.951 -19.449 1.00 0.00 H new ATOM 1058 N MET B 69 2.516 -17.154 -16.918 1.00 0.00 N ATOM 1059 CA MET B 69 3.688 -17.304 -16.099 1.00 0.00 C ATOM 1060 C MET B 69 3.407 -17.068 -14.619 1.00 0.00 C ATOM 1061 O MET B 69 4.261 -17.366 -13.782 1.00 0.00 O ATOM 1062 CB MET B 69 4.695 -16.297 -16.624 1.00 0.00 C ATOM 1063 CG MET B 69 5.582 -16.908 -17.697 1.00 0.00 C ATOM 1064 SD MET B 69 7.292 -16.338 -17.632 1.00 0.00 S ATOM 1065 CE MET B 69 7.736 -17.196 -16.108 1.00 0.00 C ATOM 0 H MET B 69 2.442 -16.226 -17.335 1.00 0.00 H new ATOM 0 HA MET B 69 4.060 -18.327 -16.160 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.170 -15.434 -17.032 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.312 -15.935 -15.802 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.566 -17.993 -17.596 1.00 0.00 H new ATOM 0 HG3 MET B 69 5.167 -16.673 -18.677 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.291 -16.519 -15.458 1.00 0.00 H new ATOM 0 HE2 MET B 69 6.830 -17.527 -15.600 1.00 0.00 H new ATOM 0 HE3 MET B 69 8.356 -18.061 -16.345 1.00 0.00 H new ATOM 1075 N ASN B 70 2.230 -16.544 -14.272 1.00 0.00 N ATOM 1076 CA ASN B 70 1.898 -16.311 -12.880 1.00 0.00 C ATOM 1077 C ASN B 70 1.621 -17.649 -12.194 1.00 0.00 C ATOM 1078 O ASN B 70 0.648 -18.330 -12.520 1.00 0.00 O ATOM 1079 CB ASN B 70 0.698 -15.367 -12.790 1.00 0.00 C ATOM 1080 CG ASN B 70 0.357 -15.011 -11.349 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.163 -15.212 -10.444 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.840 -14.480 -11.133 1.00 0.00 N ATOM 0 H ASN B 70 1.502 -16.278 -14.935 1.00 0.00 H new ATOM 0 HA ASN B 70 2.734 -15.836 -12.367 1.00 0.00 H new ATOM 0 HB2 ASN B 70 0.912 -14.455 -13.348 1.00 0.00 H new ATOM 0 HB3 ASN B 70 -0.166 -15.834 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -1.120 -14.222 -10.187 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.480 -14.330 -11.913 1.00 0.00 H new ATOM 1089 N GLY B 71 2.482 -18.017 -11.240 1.00 0.00 N ATOM 1090 CA GLY B 71 2.345 -19.253 -10.486 1.00 0.00 C ATOM 1091 C GLY B 71 3.248 -20.357 -11.031 1.00 0.00 C ATOM 1092 O GLY B 71 3.322 -21.437 -10.448 1.00 0.00 O ATOM 0 H GLY B 71 3.294 -17.460 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.589 -19.069 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.307 -19.584 -10.518 1.00 0.00 H new ATOM 1096 N LYS B 72 3.940 -20.090 -12.143 1.00 0.00 N ATOM 1097 CA LYS B 72 4.928 -20.971 -12.718 1.00 0.00 C ATOM 1098 C LYS B 72 6.246 -20.793 -11.986 1.00 0.00 C ATOM 1099 O LYS B 72 6.268 -20.390 -10.826 1.00 0.00 O ATOM 1100 CB LYS B 72 5.068 -20.622 -14.191 1.00 0.00 C ATOM 1101 CG LYS B 72 3.740 -20.672 -14.946 1.00 0.00 C ATOM 1102 CD LYS B 72 3.086 -22.050 -14.835 1.00 0.00 C ATOM 1103 CE LYS B 72 1.813 -22.082 -15.678 1.00 0.00 C ATOM 1104 NZ LYS B 72 1.148 -23.395 -15.586 1.00 0.00 N ATOM 0 H LYS B 72 3.815 -19.228 -12.673 1.00 0.00 H new ATOM 0 HA LYS B 72 4.628 -22.014 -12.622 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.494 -19.623 -14.283 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.771 -21.313 -14.657 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.065 -19.914 -14.548 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.907 -20.431 -15.996 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.778 -22.821 -15.174 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.850 -22.269 -13.794 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.131 -21.301 -15.342 1.00 0.00 H new ATOM 0 HE3 LYS B 72 2.057 -21.866 -16.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 0.286 -23.389 -16.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.793 -24.135 -15.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.896 -23.588 -14.596 1.00 0.00 H new ATOM 1118 N SER B 73 7.342 -21.098 -12.673 1.00 0.00 N ATOM 1119 CA SER B 73 8.666 -21.106 -12.084 1.00 0.00 C ATOM 1120 C SER B 73 9.716 -20.527 -13.011 1.00 0.00 C ATOM 1121 O SER B 73 9.531 -20.457 -14.225 1.00 0.00 O ATOM 1122 CB SER B 73 8.969 -22.557 -11.741 1.00 0.00 C ATOM 1123 OG SER B 73 10.195 -22.688 -11.057 1.00 0.00 O ATOM 0 H SER B 73 7.331 -21.348 -13.662 1.00 0.00 H new ATOM 0 HA SER B 73 8.690 -20.473 -11.197 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.165 -22.961 -11.126 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.998 -23.148 -12.656 1.00 0.00 H new ATOM 0 HG SER B 73 10.356 -23.633 -10.852 1.00 0.00 H new ATOM 1129 N LEU B 74 10.826 -20.116 -12.399 1.00 0.00 N ATOM 1130 CA LEU B 74 11.970 -19.587 -13.110 1.00 0.00 C ATOM 1131 C LEU B 74 13.218 -20.222 -12.544 1.00 0.00 C ATOM 1132 O LEU B 74 13.425 -20.189 -11.333 1.00 0.00 O ATOM 1133 CB LEU B 74 12.078 -18.077 -12.922 1.00 0.00 C ATOM 1134 CG LEU B 74 12.447 -17.322 -14.196 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.635 -17.905 -14.963 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.230 -17.317 -15.107 1.00 0.00 C ATOM 0 H LEU B 74 10.949 -20.145 -11.387 1.00 0.00 H new ATOM 0 HA LEU B 74 11.856 -19.806 -14.172 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.127 -17.698 -12.549 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.826 -17.868 -12.157 1.00 0.00 H new ATOM 0 HG LEU B 74 12.752 -16.321 -13.891 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.824 -17.304 -15.853 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.519 -17.897 -14.325 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.410 -18.930 -15.258 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.466 -16.783 -16.027 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.950 -18.343 -15.345 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.400 -16.822 -14.603 1.00 0.00 H new ATOM 1148 N ASP B 75 14.035 -20.791 -13.428 1.00 0.00 N ATOM 1149 CA ASP B 75 15.269 -21.460 -13.076 1.00 0.00 C ATOM 1150 C ASP B 75 15.086 -22.659 -12.154 1.00 0.00 C ATOM 1151 O ASP B 75 15.956 -23.525 -12.084 1.00 0.00 O ATOM 1152 CB ASP B 75 16.210 -20.423 -12.459 1.00 0.00 C ATOM 1153 CG ASP B 75 17.679 -20.794 -12.650 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.134 -21.745 -11.982 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.337 -20.112 -13.469 1.00 0.00 O ATOM 0 H ASP B 75 13.846 -20.795 -14.430 1.00 0.00 H new ATOM 0 HA ASP B 75 15.695 -21.880 -13.987 1.00 0.00 H new ATOM 0 HB2 ASP B 75 16.021 -19.449 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.996 -20.328 -11.394 1.00 0.00 H new ATOM 1160 N GLY B 76 13.962 -22.724 -11.448 1.00 0.00 N ATOM 1161 CA GLY B 76 13.686 -23.813 -10.550 1.00 0.00 C ATOM 1162 C GLY B 76 12.805 -23.406 -9.369 1.00 0.00 C ATOM 1163 O GLY B 76 12.405 -24.267 -8.587 1.00 0.00 O ATOM 0 H GLY B 76 13.225 -22.020 -11.490 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.197 -24.616 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.627 -24.213 -10.173 1.00 0.00 H new ATOM 1167 N LYS B 77 12.503 -22.108 -9.231 1.00 0.00 N ATOM 1168 CA LYS B 77 11.775 -21.579 -8.088 1.00 0.00 C ATOM 1169 C LYS B 77 10.466 -20.953 -8.547 1.00 0.00 C ATOM 1170 O LYS B 77 10.442 -20.212 -9.527 1.00 0.00 O ATOM 1171 CB LYS B 77 12.637 -20.569 -7.324 1.00 0.00 C ATOM 1172 CG LYS B 77 14.027 -21.129 -7.005 1.00 0.00 C ATOM 1173 CD LYS B 77 13.968 -22.383 -6.123 1.00 0.00 C ATOM 1174 CE LYS B 77 15.339 -23.057 -6.067 1.00 0.00 C ATOM 1175 NZ LYS B 77 16.368 -22.176 -5.484 1.00 0.00 N ATOM 0 H LYS B 77 12.762 -21.399 -9.917 1.00 0.00 H new ATOM 0 HA LYS B 77 11.540 -22.397 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.739 -19.659 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.136 -20.292 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.541 -21.368 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.617 -20.363 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.646 -22.114 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.229 -23.080 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.269 -23.971 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.640 -23.349 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 17.184 -22.747 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 16.674 -21.481 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 15.973 -21.678 -4.661 1.00 0.00 H new ATOM 1189 N ALA B 78 9.380 -21.254 -7.837 1.00 0.00 N ATOM 1190 CA ALA B 78 8.054 -20.801 -8.226 1.00 0.00 C ATOM 1191 C ALA B 78 7.890 -19.302 -7.995 1.00 0.00 C ATOM 1192 O ALA B 78 8.319 -18.775 -6.972 1.00 0.00 O ATOM 1193 CB ALA B 78 6.998 -21.603 -7.474 1.00 0.00 C ATOM 0 H ALA B 78 9.398 -21.814 -6.984 1.00 0.00 H new ATOM 0 HA ALA B 78 7.923 -20.971 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.005 -21.262 -7.767 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.104 -22.661 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.129 -21.461 -6.401 1.00 0.00 H new ATOM 1199 N ILE B 79 7.269 -18.620 -8.963 1.00 0.00 N ATOM 1200 CA ILE B 79 7.148 -17.169 -8.973 1.00 0.00 C ATOM 1201 C ILE B 79 5.708 -16.665 -8.934 1.00 0.00 C ATOM 1202 O ILE B 79 4.744 -17.431 -8.944 1.00 0.00 O ATOM 1203 CB ILE B 79 7.837 -16.602 -10.218 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.027 -16.910 -11.485 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.255 -17.155 -10.347 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.597 -16.187 -12.703 1.00 0.00 C ATOM 0 H ILE B 79 6.833 -19.070 -9.768 1.00 0.00 H new ATOM 0 HA ILE B 79 7.629 -16.822 -8.059 1.00 0.00 H new ATOM 0 HB ILE B 79 7.894 -15.519 -10.105 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.027 -17.985 -11.666 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.989 -16.612 -11.336 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.728 -16.740 -11.237 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.835 -16.879 -9.466 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.216 -18.241 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE B 79 6.999 -16.428 -13.582 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.573 -15.111 -12.532 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.627 -16.505 -12.866 1.00 0.00 H new ATOM 1218 N LYS B 80 5.606 -15.335 -8.893 1.00 0.00 N ATOM 1219 CA LYS B 80 4.393 -14.558 -9.040 1.00 0.00 C ATOM 1220 C LYS B 80 4.603 -13.614 -10.219 1.00 0.00 C ATOM 1221 O LYS B 80 5.711 -13.109 -10.405 1.00 0.00 O ATOM 1222 CB LYS B 80 4.160 -13.737 -7.768 1.00 0.00 C ATOM 1223 CG LYS B 80 2.813 -13.010 -7.820 1.00 0.00 C ATOM 1224 CD LYS B 80 2.711 -11.977 -6.699 1.00 0.00 C ATOM 1225 CE LYS B 80 1.361 -11.264 -6.778 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.282 -10.146 -5.816 1.00 0.00 N ATOM 0 H LYS B 80 6.424 -14.744 -8.747 1.00 0.00 H new ATOM 0 HA LYS B 80 3.532 -15.205 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.189 -14.393 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.964 -13.011 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.697 -12.518 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.001 -13.732 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.819 -12.465 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.521 -11.253 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.206 -10.887 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.560 -11.976 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 0.540 -10.343 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 2.196 -10.039 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.054 -9.267 -6.323 1.00 0.00 H new ATOM 1240 N VAL B 81 3.557 -13.369 -11.008 1.00 0.00 N ATOM 1241 CA VAL B 81 3.621 -12.389 -12.081 1.00 0.00 C ATOM 1242 C VAL B 81 2.374 -11.521 -12.018 1.00 0.00 C ATOM 1243 O VAL B 81 1.258 -12.030 -11.935 1.00 0.00 O ATOM 1244 CB VAL B 81 3.785 -13.057 -13.448 1.00 0.00 C ATOM 1245 CG1 VAL B 81 3.951 -11.987 -14.528 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.030 -13.942 -13.462 1.00 0.00 C ATOM 0 H VAL B 81 2.656 -13.839 -10.920 1.00 0.00 H new ATOM 0 HA VAL B 81 4.502 -11.761 -11.948 1.00 0.00 H new ATOM 0 HB VAL B 81 2.899 -13.661 -13.641 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.068 -12.466 -15.500 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.070 -11.345 -14.543 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.834 -11.386 -14.312 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.133 -14.410 -14.441 1.00 0.00 H new ATOM 0 HG22 VAL B 81 5.911 -13.334 -13.256 1.00 0.00 H new ATOM 0 HG23 VAL B 81 4.936 -14.714 -12.699 1.00 0.00 H new ATOM 1256 N GLU B 82 2.571 -10.204 -12.053 1.00 0.00 N ATOM 1257 CA GLU B 82 1.484 -9.256 -11.858 1.00 0.00 C ATOM 1258 C GLU B 82 1.884 -7.912 -12.455 1.00 0.00 C ATOM 1259 O GLU B 82 3.061 -7.687 -12.720 1.00 0.00 O ATOM 1260 CB GLU B 82 1.241 -9.132 -10.347 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.002 -8.308 -10.002 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.274 -8.360 -8.500 1.00 0.00 C ATOM 1263 OE1 GLU B 82 0.523 -7.762 -7.741 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.279 -8.998 -8.118 1.00 0.00 O ATOM 0 H GLU B 82 3.480 -9.771 -12.216 1.00 0.00 H new ATOM 0 HA GLU B 82 0.571 -9.590 -12.350 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.138 -10.129 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.114 -8.674 -9.882 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.140 -7.274 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.864 -8.692 -10.548 1.00 0.00 H new ATOM 1271 N GLN B 83 0.928 -7.005 -12.671 1.00 0.00 N ATOM 1272 CA GLN B 83 1.265 -5.660 -13.113 1.00 0.00 C ATOM 1273 C GLN B 83 2.002 -4.973 -11.960 1.00 0.00 C ATOM 1274 O GLN B 83 1.562 -5.032 -10.811 1.00 0.00 O ATOM 1275 CB GLN B 83 -0.024 -4.951 -13.539 1.00 0.00 C ATOM 1276 CG GLN B 83 0.234 -3.646 -14.284 1.00 0.00 C ATOM 1277 CD GLN B 83 0.711 -2.543 -13.358 1.00 0.00 C ATOM 1278 OE1 GLN B 83 0.304 -2.471 -12.203 1.00 0.00 O ATOM 1279 NE2 GLN B 83 1.582 -1.679 -13.867 1.00 0.00 N ATOM 0 H GLN B 83 -0.070 -7.178 -12.548 1.00 0.00 H new ATOM 0 HA GLN B 83 1.925 -5.646 -13.981 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.606 -5.618 -14.175 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.629 -4.746 -12.656 1.00 0.00 H new ATOM 0 HG2 GLN B 83 0.980 -3.814 -15.061 1.00 0.00 H new ATOM 0 HG3 GLN B 83 -0.681 -3.328 -14.784 1.00 0.00 H new ATOM 0 HE21 GLN B 83 1.893 -1.778 -14.833 1.00 0.00 H new ATOM 0 HE22 GLN B 83 1.940 -0.917 -13.291 1.00 0.00 H new ATOM 1288 N ALA B 84 3.130 -4.325 -12.257 1.00 0.00 N ATOM 1289 CA ALA B 84 4.016 -3.825 -11.219 1.00 0.00 C ATOM 1290 C ALA B 84 3.523 -2.530 -10.586 1.00 0.00 C ATOM 1291 O ALA B 84 2.891 -1.700 -11.236 1.00 0.00 O ATOM 1292 CB ALA B 84 5.404 -3.593 -11.802 1.00 0.00 C ATOM 0 H ALA B 84 3.446 -4.137 -13.208 1.00 0.00 H new ATOM 0 HA ALA B 84 4.041 -4.582 -10.435 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.068 -3.218 -11.023 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.796 -4.532 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.342 -2.863 -12.609 1.00 0.00 H new ATOM 1298 N THR B 85 3.828 -2.364 -9.297 1.00 0.00 N ATOM 1299 CA THR B 85 3.542 -1.128 -8.588 1.00 0.00 C ATOM 1300 C THR B 85 4.839 -0.468 -8.154 1.00 0.00 C ATOM 1301 O THR B 85 5.914 -1.052 -8.258 1.00 0.00 O ATOM 1302 CB THR B 85 2.646 -1.371 -7.375 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.241 -2.311 -6.507 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.281 -1.899 -7.811 1.00 0.00 C ATOM 0 H THR B 85 4.276 -3.080 -8.725 1.00 0.00 H new ATOM 0 HA THR B 85 3.008 -0.466 -9.270 1.00 0.00 H new ATOM 0 HB THR B 85 2.518 -0.420 -6.857 1.00 0.00 H new ATOM 0 HG1 THR B 85 2.658 -2.457 -5.733 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.658 -2.066 -6.932 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.801 -1.170 -8.464 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.409 -2.839 -8.348 1.00 0.00 H new