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 Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.3!) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.136 USER MOD Single : B 20 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.053) USER MOD Single : B 22 LYS NZ :NH3+ 160:sc= -0.0767 (180deg=-0.393) USER MOD Single : B 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000967) USER MOD Single : B 31 TYR OH : rot 150:sc= -0.928 USER MOD Single : B 40 MET CE :methyl -128:sc= -0.354 (180deg=-2.54!) 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= -0.0493 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -147:sc= -1.48 (180deg=-3.16!) USER MOD Single : B 70 ASN : amide:sc= 0.4 K(o=0.4,f=-3.7!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot -170:sc= -0.0722 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ -109:sc= 0.49 (180deg=0) USER MOD Single : B 83 GLN : amide:sc= 0.0352 X(o=0.035,f=-0.2) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.101 -2.507 -18.695 1.00 0.00 N ATOM 112 CA GLY B 8 3.239 -2.965 -19.472 1.00 0.00 C ATOM 113 C GLY B 8 4.400 -3.332 -18.568 1.00 0.00 C ATOM 114 O GLY B 8 5.304 -4.033 -19.012 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.951 -3.830 -20.070 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.547 -2.184 -20.168 1.00 0.00 H new ATOM 118 N LYS B 9 4.384 -2.875 -17.313 1.00 0.00 N ATOM 119 CA LYS B 9 5.454 -3.210 -16.391 1.00 0.00 C ATOM 120 C LYS B 9 4.978 -4.317 -15.473 1.00 0.00 C ATOM 121 O LYS B 9 3.908 -4.223 -14.878 1.00 0.00 O ATOM 122 CB LYS B 9 5.930 -1.985 -15.616 1.00 0.00 C ATOM 123 CG LYS B 9 7.088 -2.423 -14.716 1.00 0.00 C ATOM 124 CD LYS B 9 7.652 -1.270 -13.896 1.00 0.00 C ATOM 125 CE LYS B 9 8.384 -0.272 -14.795 1.00 0.00 C ATOM 126 NZ LYS B 9 8.923 0.853 -14.010 1.00 0.00 N ATOM 0 H LYS B 9 3.651 -2.282 -16.924 1.00 0.00 H new ATOM 0 HA LYS B 9 6.319 -3.564 -16.951 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.254 -1.201 -16.301 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.117 -1.571 -15.019 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.745 -3.210 -14.044 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.881 -2.851 -15.330 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.844 -0.765 -13.366 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.336 -1.656 -13.140 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.196 -0.777 -15.318 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.701 0.106 -15.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.414 1.515 -14.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 8.143 1.347 -13.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.592 0.492 -13.300 1.00 0.00 H new ATOM 140 N LEU B 10 5.784 -5.368 -15.361 1.00 0.00 N ATOM 141 CA LEU B 10 5.436 -6.519 -14.557 1.00 0.00 C ATOM 142 C LEU B 10 6.371 -6.633 -13.366 1.00 0.00 C ATOM 143 O LEU B 10 7.500 -6.146 -13.405 1.00 0.00 O ATOM 144 CB LEU B 10 5.527 -7.769 -15.425 1.00 0.00 C ATOM 145 CG LEU B 10 4.502 -7.837 -16.556 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.726 -9.160 -17.285 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.068 -7.821 -16.033 1.00 0.00 C ATOM 0 H LEU B 10 6.690 -5.440 -15.824 1.00 0.00 H new ATOM 0 HA LEU B 10 4.420 -6.409 -14.179 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.527 -7.824 -15.855 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.405 -8.646 -14.789 1.00 0.00 H new ATOM 0 HG LEU B 10 4.632 -6.970 -17.203 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.012 -9.250 -18.104 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.740 -9.189 -17.683 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.586 -9.987 -16.589 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.374 -7.871 -16.872 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.909 -8.679 -15.380 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.895 -6.902 -15.473 1.00 0.00 H new ATOM 159 N PHE B 11 5.885 -7.282 -12.315 1.00 0.00 N ATOM 160 CA PHE B 11 6.657 -7.629 -11.143 1.00 0.00 C ATOM 161 C PHE B 11 6.876 -9.133 -11.167 1.00 0.00 C ATOM 162 O PHE B 11 5.920 -9.888 -11.331 1.00 0.00 O ATOM 163 CB PHE B 11 5.902 -7.221 -9.883 1.00 0.00 C ATOM 164 CG PHE B 11 6.541 -7.780 -8.636 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.728 -7.220 -8.157 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.955 -8.866 -7.967 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.328 -7.734 -7.004 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.559 -9.385 -6.813 1.00 0.00 C ATOM 169 CZ PHE B 11 7.749 -8.816 -6.336 1.00 0.00 C ATOM 0 H PHE B 11 4.913 -7.587 -12.260 1.00 0.00 H new ATOM 0 HA PHE B 11 7.614 -7.108 -11.143 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.868 -6.134 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.871 -7.569 -9.949 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.182 -6.390 -8.678 1.00 0.00 H new ATOM 0 HD2 PHE B 11 5.040 -9.301 -8.341 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.240 -7.294 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE B 11 6.110 -10.219 -6.294 1.00 0.00 H new ATOM 0 HZ PHE B 11 8.219 -9.215 -5.450 1.00 0.00 H new ATOM 179 N ILE B 12 8.127 -9.566 -11.007 1.00 0.00 N ATOM 180 CA ILE B 12 8.489 -10.967 -11.124 1.00 0.00 C ATOM 181 C ILE B 12 9.130 -11.440 -9.820 1.00 0.00 C ATOM 182 O ILE B 12 10.352 -11.520 -9.727 1.00 0.00 O ATOM 183 CB ILE B 12 9.441 -11.171 -12.314 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.135 -10.338 -13.571 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.427 -12.651 -12.676 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.755 -10.550 -14.188 1.00 0.00 C ATOM 0 H ILE B 12 8.912 -8.951 -10.793 1.00 0.00 H new ATOM 0 HA ILE B 12 7.593 -11.561 -11.306 1.00 0.00 H new ATOM 0 HB ILE B 12 10.418 -10.820 -11.983 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.242 -9.283 -13.320 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.888 -10.564 -14.326 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.095 -12.826 -13.519 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.761 -13.238 -11.821 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.414 -12.950 -12.947 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.648 -9.914 -15.067 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.644 -11.594 -14.480 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.987 -10.293 -13.458 1.00 0.00 H new ATOM 198 N GLY B 13 8.320 -11.755 -8.806 1.00 0.00 N ATOM 199 CA GLY B 13 8.852 -12.160 -7.509 1.00 0.00 C ATOM 200 C GLY B 13 8.994 -13.674 -7.400 1.00 0.00 C ATOM 201 O GLY B 13 8.214 -14.408 -7.997 1.00 0.00 O ATOM 0 H GLY B 13 7.302 -11.737 -8.860 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.824 -11.692 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.194 -11.799 -6.718 1.00 0.00 H new ATOM 205 N GLY B 14 9.982 -14.153 -6.637 1.00 0.00 N ATOM 206 CA GLY B 14 10.107 -15.562 -6.300 1.00 0.00 C ATOM 207 C GLY B 14 11.128 -16.274 -7.183 1.00 0.00 C ATOM 208 O GLY B 14 11.212 -17.500 -7.175 1.00 0.00 O ATOM 0 H GLY B 14 10.716 -13.567 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.401 -15.660 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY B 14 9.137 -16.047 -6.405 1.00 0.00 H new ATOM 212 N LEU B 15 11.902 -15.501 -7.941 1.00 0.00 N ATOM 213 CA LEU B 15 12.869 -16.026 -8.886 1.00 0.00 C ATOM 214 C LEU B 15 14.016 -16.748 -8.185 1.00 0.00 C ATOM 215 O LEU B 15 14.237 -16.588 -6.987 1.00 0.00 O ATOM 216 CB LEU B 15 13.432 -14.873 -9.711 1.00 0.00 C ATOM 217 CG LEU B 15 12.388 -14.150 -10.557 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.920 -12.774 -10.940 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.186 -14.949 -11.834 1.00 0.00 C ATOM 0 H LEU B 15 11.871 -14.482 -7.912 1.00 0.00 H new ATOM 0 HA LEU B 15 12.360 -16.748 -9.525 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.902 -14.154 -9.040 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.214 -15.256 -10.366 1.00 0.00 H new ATOM 0 HG LEU B 15 11.456 -14.050 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU B 15 12.178 -12.252 -11.545 1.00 0.00 H new ATOM 0 HD12 LEU B 15 13.122 -12.198 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.841 -12.886 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.443 -14.454 -12.459 1.00 0.00 H new ATOM 0 HD22 LEU B 15 13.130 -15.015 -12.375 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.840 -15.952 -11.585 1.00 0.00 H new ATOM 231 N ASN B 16 14.750 -17.554 -8.960 1.00 0.00 N ATOM 232 CA ASN B 16 15.929 -18.250 -8.490 1.00 0.00 C ATOM 233 C ASN B 16 17.078 -17.264 -8.268 1.00 0.00 C ATOM 234 O ASN B 16 17.019 -16.124 -8.730 1.00 0.00 O ATOM 235 CB ASN B 16 16.251 -19.324 -9.521 1.00 0.00 C ATOM 236 CG ASN B 16 17.142 -20.426 -9.001 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.493 -20.482 -7.826 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.502 -21.316 -9.911 1.00 0.00 N ATOM 0 H ASN B 16 14.531 -17.736 -9.939 1.00 0.00 H new ATOM 0 HA ASN B 16 15.762 -18.724 -7.523 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.319 -19.762 -9.878 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.732 -18.856 -10.380 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.101 -22.099 -9.650 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.180 -21.220 -10.874 1.00 0.00 H new ATOM 245 N THR B 17 18.129 -17.686 -7.565 1.00 0.00 N ATOM 246 CA THR B 17 19.227 -16.801 -7.188 1.00 0.00 C ATOM 247 C THR B 17 20.258 -16.710 -8.300 1.00 0.00 C ATOM 248 O THR B 17 21.184 -15.901 -8.241 1.00 0.00 O ATOM 249 CB THR B 17 19.884 -17.308 -5.910 1.00 0.00 C ATOM 250 OG1 THR B 17 20.462 -18.574 -6.133 1.00 0.00 O ATOM 251 CG2 THR B 17 18.841 -17.440 -4.805 1.00 0.00 C ATOM 0 H THR B 17 18.242 -18.647 -7.243 1.00 0.00 H new ATOM 0 HA THR B 17 18.821 -15.804 -7.016 1.00 0.00 H new ATOM 0 HB THR B 17 20.654 -16.596 -5.613 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.883 -18.891 -5.307 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.319 -17.803 -3.895 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.388 -16.467 -4.614 1.00 0.00 H new ATOM 0 HG23 THR B 17 18.069 -18.145 -5.115 1.00 0.00 H new ATOM 259 N GLU B 18 20.091 -17.552 -9.316 1.00 0.00 N ATOM 260 CA GLU B 18 20.977 -17.680 -10.445 1.00 0.00 C ATOM 261 C GLU B 18 20.332 -17.131 -11.717 1.00 0.00 C ATOM 262 O GLU B 18 20.955 -17.137 -12.779 1.00 0.00 O ATOM 263 CB GLU B 18 21.330 -19.160 -10.575 1.00 0.00 C ATOM 264 CG GLU B 18 20.161 -20.089 -10.251 1.00 0.00 C ATOM 265 CD GLU B 18 20.565 -21.554 -10.425 1.00 0.00 C ATOM 266 OE1 GLU B 18 21.291 -21.852 -11.401 1.00 0.00 O ATOM 267 OE2 GLU B 18 20.144 -22.371 -9.574 1.00 0.00 O ATOM 0 H GLU B 18 19.295 -18.188 -9.367 1.00 0.00 H new ATOM 0 HA GLU B 18 21.884 -17.094 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU B 18 21.672 -19.357 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU B 18 22.162 -19.388 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.828 -19.918 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU B 18 19.318 -19.860 -10.903 1.00 0.00 H new ATOM 274 N THR B 19 19.087 -16.658 -11.619 1.00 0.00 N ATOM 275 CA THR B 19 18.403 -16.030 -12.738 1.00 0.00 C ATOM 276 C THR B 19 18.939 -14.616 -12.925 1.00 0.00 C ATOM 277 O THR B 19 19.260 -13.939 -11.949 1.00 0.00 O ATOM 278 CB THR B 19 16.893 -16.005 -12.483 1.00 0.00 C ATOM 279 OG1 THR B 19 16.427 -17.313 -12.256 1.00 0.00 O ATOM 280 CG2 THR B 19 16.137 -15.444 -13.681 1.00 0.00 C ATOM 0 H THR B 19 18.532 -16.702 -10.764 1.00 0.00 H new ATOM 0 HA THR B 19 18.586 -16.603 -13.647 1.00 0.00 H new ATOM 0 HB THR B 19 16.719 -15.371 -11.614 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.461 -17.292 -12.092 1.00 0.00 H new ATOM 0 HG21 THR B 19 15.068 -15.440 -13.467 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.471 -14.425 -13.878 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.330 -16.065 -14.556 1.00 0.00 H new ATOM 288 N ASN B 20 19.034 -14.166 -14.175 1.00 0.00 N ATOM 289 CA ASN B 20 19.471 -12.813 -14.481 1.00 0.00 C ATOM 290 C ASN B 20 18.576 -12.223 -15.560 1.00 0.00 C ATOM 291 O ASN B 20 17.522 -12.771 -15.883 1.00 0.00 O ATOM 292 CB ASN B 20 20.928 -12.780 -14.951 1.00 0.00 C ATOM 293 CG ASN B 20 21.736 -13.971 -14.484 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.275 -13.986 -13.382 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.817 -14.979 -15.343 1.00 0.00 N ATOM 0 H ASN B 20 18.811 -14.728 -14.996 1.00 0.00 H new ATOM 0 HA ASN B 20 19.400 -12.223 -13.567 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.950 -12.740 -16.040 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.399 -11.866 -14.588 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.346 -15.816 -15.099 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.350 -14.917 -16.248 1.00 0.00 H new ATOM 302 N GLU B 21 19.010 -11.096 -16.120 1.00 0.00 N ATOM 303 CA GLU B 21 18.221 -10.338 -17.077 1.00 0.00 C ATOM 304 C GLU B 21 18.113 -11.094 -18.394 1.00 0.00 C ATOM 305 O GLU B 21 17.100 -10.990 -19.078 1.00 0.00 O ATOM 306 CB GLU B 21 18.891 -8.984 -17.302 1.00 0.00 C ATOM 307 CG GLU B 21 18.802 -8.156 -16.025 1.00 0.00 C ATOM 308 CD GLU B 21 19.669 -6.904 -16.114 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.221 -5.929 -16.756 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.783 -6.932 -15.539 1.00 0.00 O ATOM 0 H GLU B 21 19.922 -10.685 -15.920 1.00 0.00 H new ATOM 0 HA GLU B 21 17.214 -10.193 -16.686 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.934 -9.125 -17.585 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.406 -8.458 -18.124 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.765 -7.871 -15.846 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.118 -8.760 -15.175 1.00 0.00 H new ATOM 317 N LYS B 22 19.146 -11.861 -18.754 1.00 0.00 N ATOM 318 CA LYS B 22 19.160 -12.584 -20.015 1.00 0.00 C ATOM 319 C LYS B 22 18.058 -13.642 -20.016 1.00 0.00 C ATOM 320 O LYS B 22 17.479 -13.940 -21.057 1.00 0.00 O ATOM 321 CB LYS B 22 20.552 -13.210 -20.186 1.00 0.00 C ATOM 322 CG LYS B 22 21.005 -13.367 -21.640 1.00 0.00 C ATOM 323 CD LYS B 22 20.052 -14.199 -22.502 1.00 0.00 C ATOM 324 CE LYS B 22 20.665 -14.470 -23.878 1.00 0.00 C ATOM 325 NZ LYS B 22 21.863 -15.327 -23.780 1.00 0.00 N ATOM 0 H LYS B 22 19.982 -11.993 -18.184 1.00 0.00 H new ATOM 0 HA LYS B 22 18.965 -11.915 -20.853 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.280 -12.595 -19.657 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.556 -14.190 -19.710 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.112 -12.378 -22.085 1.00 0.00 H new ATOM 0 HG3 LYS B 22 21.991 -13.831 -21.655 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.833 -15.143 -22.003 1.00 0.00 H new ATOM 0 HD3 LYS B 22 19.105 -13.672 -22.618 1.00 0.00 H new ATOM 0 HE2 LYS B 22 19.925 -14.950 -24.518 1.00 0.00 H new ATOM 0 HE3 LYS B 22 20.931 -13.525 -24.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 22.053 -15.765 -24.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 22.680 -14.750 -23.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 21.701 -16.071 -23.071 1.00 0.00 H new ATOM 339 N ALA B 23 17.758 -14.211 -18.846 1.00 0.00 N ATOM 340 CA ALA B 23 16.796 -15.295 -18.753 1.00 0.00 C ATOM 341 C ALA B 23 15.397 -14.706 -18.631 1.00 0.00 C ATOM 342 O ALA B 23 14.402 -15.358 -18.932 1.00 0.00 O ATOM 343 CB ALA B 23 17.143 -16.158 -17.538 1.00 0.00 C ATOM 0 H ALA B 23 18.170 -13.935 -17.955 1.00 0.00 H new ATOM 0 HA ALA B 23 16.828 -15.921 -19.644 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.428 -16.976 -17.457 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.148 -16.565 -17.655 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.101 -15.549 -16.635 1.00 0.00 H new ATOM 349 N LEU B 24 15.341 -13.451 -18.183 1.00 0.00 N ATOM 350 CA LEU B 24 14.126 -12.729 -17.896 1.00 0.00 C ATOM 351 C LEU B 24 13.629 -12.052 -19.167 1.00 0.00 C ATOM 352 O LEU B 24 12.434 -11.820 -19.334 1.00 0.00 O ATOM 353 CB LEU B 24 14.519 -11.708 -16.826 1.00 0.00 C ATOM 354 CG LEU B 24 14.033 -12.157 -15.456 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.749 -11.394 -14.349 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.538 -11.907 -15.331 1.00 0.00 C ATOM 0 H LEU B 24 16.180 -12.898 -18.007 1.00 0.00 H new ATOM 0 HA LEU B 24 13.316 -13.369 -17.546 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.602 -11.586 -16.812 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.092 -10.735 -17.069 1.00 0.00 H new ATOM 0 HG LEU B 24 14.247 -13.221 -15.355 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.384 -11.733 -13.379 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.822 -11.575 -14.417 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.554 -10.327 -14.458 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.196 -12.231 -14.348 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.336 -10.843 -15.454 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.010 -12.468 -16.102 1.00 0.00 H new ATOM 368 N GLU B 25 14.549 -11.739 -20.076 1.00 0.00 N ATOM 369 CA GLU B 25 14.173 -11.228 -21.381 1.00 0.00 C ATOM 370 C GLU B 25 13.799 -12.377 -22.305 1.00 0.00 C ATOM 371 O GLU B 25 12.987 -12.224 -23.213 1.00 0.00 O ATOM 372 CB GLU B 25 15.351 -10.489 -22.014 1.00 0.00 C ATOM 373 CG GLU B 25 15.589 -9.188 -21.272 1.00 0.00 C ATOM 374 CD GLU B 25 16.649 -8.341 -21.970 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.848 -8.625 -21.762 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.250 -7.412 -22.710 1.00 0.00 O ATOM 0 H GLU B 25 15.554 -11.831 -19.929 1.00 0.00 H new ATOM 0 HA GLU B 25 13.326 -10.554 -21.249 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.246 -11.110 -21.977 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.146 -10.288 -23.065 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.656 -8.627 -21.207 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.905 -9.401 -20.251 1.00 0.00 H new ATOM 383 N ALA B 26 14.408 -13.531 -22.053 1.00 0.00 N ATOM 384 CA ALA B 26 14.255 -14.711 -22.880 1.00 0.00 C ATOM 385 C ALA B 26 12.973 -15.462 -22.549 1.00 0.00 C ATOM 386 O ALA B 26 12.489 -16.248 -23.366 1.00 0.00 O ATOM 387 CB ALA B 26 15.461 -15.606 -22.630 1.00 0.00 C ATOM 0 H ALA B 26 15.029 -13.669 -21.256 1.00 0.00 H new ATOM 0 HA ALA B 26 14.194 -14.417 -23.928 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.378 -16.507 -23.239 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.373 -15.071 -22.896 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.497 -15.882 -21.576 1.00 0.00 H new ATOM 393 N VAL B 27 12.422 -15.226 -21.354 1.00 0.00 N ATOM 394 CA VAL B 27 11.255 -15.940 -20.873 1.00 0.00 C ATOM 395 C VAL B 27 9.981 -15.107 -20.939 1.00 0.00 C ATOM 396 O VAL B 27 8.901 -15.627 -21.209 1.00 0.00 O ATOM 397 CB VAL B 27 11.561 -16.370 -19.455 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.496 -15.212 -18.481 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.608 -17.448 -18.974 1.00 0.00 C ATOM 0 H VAL B 27 12.780 -14.531 -20.699 1.00 0.00 H new ATOM 0 HA VAL B 27 11.060 -16.800 -21.514 1.00 0.00 H new ATOM 0 HB VAL B 27 12.577 -16.764 -19.482 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.723 -15.569 -17.476 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.223 -14.453 -18.769 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.495 -14.780 -18.496 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.862 -17.729 -17.952 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.586 -17.070 -19.003 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.690 -18.321 -19.621 1.00 0.00 H new ATOM 409 N PHE B 28 10.106 -13.805 -20.697 1.00 0.00 N ATOM 410 CA PHE B 28 8.973 -12.902 -20.831 1.00 0.00 C ATOM 411 C PHE B 28 8.910 -12.305 -22.235 1.00 0.00 C ATOM 412 O PHE B 28 7.911 -11.694 -22.599 1.00 0.00 O ATOM 413 CB PHE B 28 9.006 -11.828 -19.749 1.00 0.00 C ATOM 414 CG PHE B 28 8.739 -12.386 -18.372 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.422 -12.604 -17.946 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.806 -12.697 -17.523 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.179 -13.149 -16.680 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.568 -13.244 -16.258 1.00 0.00 C ATOM 419 CZ PHE B 28 8.252 -13.465 -15.836 1.00 0.00 C ATOM 0 H PHE B 28 10.976 -13.356 -20.409 1.00 0.00 H new ATOM 0 HA PHE B 28 8.057 -13.475 -20.689 1.00 0.00 H new ATOM 0 HB2 PHE B 28 9.980 -11.339 -19.757 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.264 -11.063 -19.978 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.595 -12.352 -18.594 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.820 -12.514 -17.846 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.165 -13.326 -16.354 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.395 -13.494 -15.610 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.063 -13.880 -14.857 1.00 0.00 H new ATOM 429 N GLY B 29 9.972 -12.480 -23.027 1.00 0.00 N ATOM 430 CA GLY B 29 9.967 -12.019 -24.409 1.00 0.00 C ATOM 431 C GLY B 29 9.139 -12.954 -25.283 1.00 0.00 C ATOM 432 O GLY B 29 8.955 -12.707 -26.472 1.00 0.00 O ATOM 0 H GLY B 29 10.837 -12.934 -22.734 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.560 -11.009 -24.460 1.00 0.00 H new ATOM 0 HA3 GLY B 29 10.989 -11.970 -24.786 1.00 0.00 H new ATOM 436 N LYS B 30 8.642 -14.036 -24.674 1.00 0.00 N ATOM 437 CA LYS B 30 7.846 -15.061 -25.323 1.00 0.00 C ATOM 438 C LYS B 30 6.395 -14.620 -25.460 1.00 0.00 C ATOM 439 O LYS B 30 5.618 -15.237 -26.186 1.00 0.00 O ATOM 440 CB LYS B 30 7.936 -16.329 -24.469 1.00 0.00 C ATOM 441 CG LYS B 30 9.400 -16.729 -24.280 1.00 0.00 C ATOM 442 CD LYS B 30 9.579 -17.913 -23.327 1.00 0.00 C ATOM 443 CE LYS B 30 8.728 -19.122 -23.710 1.00 0.00 C ATOM 444 NZ LYS B 30 9.122 -19.673 -25.021 1.00 0.00 N ATOM 0 H LYS B 30 8.793 -14.220 -23.682 1.00 0.00 H new ATOM 0 HA LYS B 30 8.226 -15.246 -26.328 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.469 -16.158 -23.499 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.388 -17.140 -24.948 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.830 -16.982 -25.249 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.958 -15.874 -23.897 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.629 -18.205 -23.312 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.321 -17.600 -22.315 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.827 -19.893 -22.946 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.677 -18.834 -23.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.534 -20.502 -25.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.988 -18.950 -25.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.122 -19.956 -24.992 1.00 0.00 H new ATOM 458 N TYR B 31 6.044 -13.548 -24.751 1.00 0.00 N ATOM 459 CA TYR B 31 4.689 -13.024 -24.713 1.00 0.00 C ATOM 460 C TYR B 31 4.560 -11.670 -25.402 1.00 0.00 C ATOM 461 O TYR B 31 3.453 -11.273 -25.762 1.00 0.00 O ATOM 462 CB TYR B 31 4.282 -12.932 -23.245 1.00 0.00 C ATOM 463 CG TYR B 31 4.385 -14.261 -22.525 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.423 -15.254 -22.750 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.450 -14.498 -21.641 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.540 -16.500 -22.120 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.576 -15.742 -21.002 1.00 0.00 C ATOM 468 CZ TYR B 31 4.634 -16.762 -21.273 1.00 0.00 C ATOM 469 OH TYR B 31 4.771 -18.001 -20.721 1.00 0.00 O ATOM 0 H TYR B 31 6.703 -13.017 -24.182 1.00 0.00 H new ATOM 0 HA TYR B 31 4.028 -13.693 -25.264 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.915 -12.201 -22.742 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.257 -12.566 -23.179 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.590 -15.059 -23.410 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.175 -13.720 -21.452 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.791 -17.260 -22.284 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.386 -15.919 -20.309 1.00 0.00 H new ATOM 0 HH TYR B 31 5.722 -18.194 -20.583 1.00 0.00 H new ATOM 479 N GLY B 32 5.673 -10.955 -25.590 1.00 0.00 N ATOM 480 CA GLY B 32 5.652 -9.645 -26.218 1.00 0.00 C ATOM 481 C GLY B 32 7.043 -9.077 -26.391 1.00 0.00 C ATOM 482 O GLY B 32 8.001 -9.551 -25.779 1.00 0.00 O ATOM 0 H GLY B 32 6.602 -11.270 -25.312 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.166 -9.717 -27.191 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.054 -8.963 -25.613 1.00 0.00 H new ATOM 486 N ARG B 33 7.152 -8.047 -27.233 1.00 0.00 N ATOM 487 CA ARG B 33 8.411 -7.382 -27.451 1.00 0.00 C ATOM 488 C ARG B 33 8.748 -6.562 -26.218 1.00 0.00 C ATOM 489 O ARG B 33 8.029 -5.636 -25.855 1.00 0.00 O ATOM 490 CB ARG B 33 8.301 -6.522 -28.704 1.00 0.00 C ATOM 491 CG ARG B 33 9.709 -6.248 -29.212 1.00 0.00 C ATOM 492 CD ARG B 33 9.682 -5.449 -30.515 1.00 0.00 C ATOM 493 NE ARG B 33 9.078 -6.219 -31.608 1.00 0.00 N ATOM 494 CZ ARG B 33 7.858 -6.014 -32.113 1.00 0.00 C ATOM 495 NH1 ARG B 33 7.067 -5.052 -31.640 1.00 0.00 N ATOM 496 NH2 ARG B 33 7.417 -6.776 -33.110 1.00 0.00 N ATOM 0 H ARG B 33 6.374 -7.664 -27.770 1.00 0.00 H new ATOM 0 HA ARG B 33 9.218 -8.098 -27.608 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.714 -7.033 -29.467 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.788 -5.587 -28.480 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.270 -5.698 -28.457 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.231 -7.192 -29.372 1.00 0.00 H new ATOM 0 HD2 ARG B 33 9.121 -4.527 -30.365 1.00 0.00 H new ATOM 0 HD3 ARG B 33 10.698 -5.163 -30.788 1.00 0.00 H new ATOM 0 HE ARG B 33 9.634 -6.971 -32.015 1.00 0.00 H new ATOM 0 HH11 ARG B 33 7.389 -4.455 -30.878 1.00 0.00 H new ATOM 0 HH12 ARG B 33 6.139 -4.912 -32.040 1.00 0.00 H new ATOM 0 HH21 ARG B 33 8.010 -7.515 -33.488 1.00 0.00 H new ATOM 0 HH22 ARG B 33 6.486 -6.621 -33.497 1.00 0.00 H new ATOM 510 N ILE B 34 9.854 -6.926 -25.585 1.00 0.00 N ATOM 511 CA ILE B 34 10.352 -6.236 -24.408 1.00 0.00 C ATOM 512 C ILE B 34 10.991 -4.912 -24.803 1.00 0.00 C ATOM 513 O ILE B 34 11.661 -4.819 -25.831 1.00 0.00 O ATOM 514 CB ILE B 34 11.327 -7.156 -23.675 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.530 -8.359 -23.157 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.021 -6.420 -22.525 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.376 -9.294 -22.295 1.00 0.00 C ATOM 0 H ILE B 34 10.433 -7.713 -25.877 1.00 0.00 H new ATOM 0 HA ILE B 34 9.532 -5.998 -23.731 1.00 0.00 H new ATOM 0 HB ILE B 34 12.113 -7.488 -24.354 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.679 -8.004 -22.575 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.127 -8.915 -24.003 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.709 -7.099 -22.021 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.575 -5.569 -22.920 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.273 -6.068 -21.814 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.763 -10.129 -21.954 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.212 -9.674 -22.882 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.757 -8.748 -21.432 1.00 0.00 H new ATOM 529 N VAL B 35 10.780 -3.886 -23.974 1.00 0.00 N ATOM 530 CA VAL B 35 11.386 -2.574 -24.158 1.00 0.00 C ATOM 531 C VAL B 35 12.417 -2.318 -23.062 1.00 0.00 C ATOM 532 O VAL B 35 13.331 -1.517 -23.245 1.00 0.00 O ATOM 533 CB VAL B 35 10.326 -1.461 -24.165 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.448 -0.664 -25.458 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.890 -1.967 -24.057 1.00 0.00 C ATOM 0 H VAL B 35 10.179 -3.948 -23.152 1.00 0.00 H new ATOM 0 HA VAL B 35 11.883 -2.564 -25.128 1.00 0.00 H new ATOM 0 HB VAL B 35 10.521 -0.853 -23.282 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.699 0.128 -25.470 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.443 -0.223 -25.521 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.290 -1.326 -26.310 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.204 -1.120 -24.069 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.671 -2.623 -24.899 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.768 -2.520 -23.125 1.00 0.00 H new ATOM 545 N GLU B 36 12.267 -2.997 -21.917 1.00 0.00 N ATOM 546 CA GLU B 36 13.193 -2.884 -20.800 1.00 0.00 C ATOM 547 C GLU B 36 13.030 -4.083 -19.868 1.00 0.00 C ATOM 548 O GLU B 36 11.943 -4.641 -19.764 1.00 0.00 O ATOM 549 CB GLU B 36 12.906 -1.578 -20.050 1.00 0.00 C ATOM 550 CG GLU B 36 13.838 -1.405 -18.851 1.00 0.00 C ATOM 551 CD GLU B 36 13.661 -0.028 -18.219 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.271 0.934 -18.733 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.910 0.058 -17.218 1.00 0.00 O ATOM 0 H GLU B 36 11.494 -3.641 -21.746 1.00 0.00 H new ATOM 0 HA GLU B 36 14.220 -2.872 -21.166 1.00 0.00 H new ATOM 0 HB2 GLU B 36 13.024 -0.734 -20.729 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.870 -1.572 -19.711 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.633 -2.178 -18.111 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.873 -1.534 -19.168 1.00 0.00 H new ATOM 560 N VAL B 37 14.104 -4.479 -19.184 1.00 0.00 N ATOM 561 CA VAL B 37 14.036 -5.500 -18.146 1.00 0.00 C ATOM 562 C VAL B 37 14.859 -5.068 -16.944 1.00 0.00 C ATOM 563 O VAL B 37 15.894 -4.421 -17.079 1.00 0.00 O ATOM 564 CB VAL B 37 14.466 -6.881 -18.672 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.109 -7.753 -17.591 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.229 -7.630 -19.156 1.00 0.00 C ATOM 0 H VAL B 37 15.039 -4.101 -19.335 1.00 0.00 H new ATOM 0 HA VAL B 37 12.998 -5.605 -17.831 1.00 0.00 H new ATOM 0 HB VAL B 37 15.193 -6.704 -19.464 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.392 -8.714 -18.020 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.996 -7.254 -17.201 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.397 -7.912 -16.781 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.521 -8.611 -19.531 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.530 -7.752 -18.328 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.750 -7.064 -19.955 1.00 0.00 H new ATOM 576 N LEU B 38 14.368 -5.447 -15.764 1.00 0.00 N ATOM 577 CA LEU B 38 15.051 -5.238 -14.496 1.00 0.00 C ATOM 578 C LEU B 38 15.309 -6.588 -13.860 1.00 0.00 C ATOM 579 O LEU B 38 14.614 -7.562 -14.144 1.00 0.00 O ATOM 580 CB LEU B 38 14.153 -4.413 -13.586 1.00 0.00 C ATOM 581 CG LEU B 38 14.484 -2.918 -13.586 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.483 -2.195 -12.691 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.875 -2.636 -13.029 1.00 0.00 C ATOM 0 H LEU B 38 13.468 -5.916 -15.665 1.00 0.00 H new ATOM 0 HA LEU B 38 15.995 -4.715 -14.652 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.116 -4.547 -13.895 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.234 -4.794 -12.568 1.00 0.00 H new ATOM 0 HG LEU B 38 14.441 -2.574 -14.619 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.707 -1.128 -12.682 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.474 -2.350 -13.074 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.551 -2.589 -11.677 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.064 -1.563 -13.049 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.935 -2.996 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.621 -3.148 -13.637 1.00 0.00 H new ATOM 595 N LEU B 39 16.310 -6.636 -12.991 1.00 0.00 N ATOM 596 CA LEU B 39 16.574 -7.798 -12.177 1.00 0.00 C ATOM 597 C LEU B 39 17.256 -7.277 -10.925 1.00 0.00 C ATOM 598 O LEU B 39 18.327 -6.677 -11.005 1.00 0.00 O ATOM 599 CB LEU B 39 17.439 -8.758 -12.993 1.00 0.00 C ATOM 600 CG LEU B 39 17.874 -10.057 -12.305 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.118 -9.851 -11.454 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.780 -10.706 -11.467 1.00 0.00 C ATOM 0 H LEU B 39 16.959 -5.864 -12.836 1.00 0.00 H new ATOM 0 HA LEU B 39 15.684 -8.355 -11.885 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.892 -9.021 -13.899 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.336 -8.223 -13.306 1.00 0.00 H new ATOM 0 HG LEU B 39 18.101 -10.744 -13.120 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.396 -10.793 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.937 -9.505 -12.085 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.913 -9.107 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.163 -11.619 -11.012 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.464 -10.016 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.929 -10.947 -12.104 1.00 0.00 H new ATOM 614 N MET B 40 16.639 -7.499 -9.768 1.00 0.00 N ATOM 615 CA MET B 40 17.089 -6.853 -8.552 1.00 0.00 C ATOM 616 C MET B 40 18.038 -7.764 -7.800 1.00 0.00 C ATOM 617 O MET B 40 17.844 -8.980 -7.799 1.00 0.00 O ATOM 618 CB MET B 40 15.903 -6.430 -7.679 1.00 0.00 C ATOM 619 CG MET B 40 14.751 -5.783 -8.458 1.00 0.00 C ATOM 620 SD MET B 40 15.179 -4.856 -9.959 1.00 0.00 S ATOM 621 CE MET B 40 16.330 -3.630 -9.301 1.00 0.00 C ATOM 0 H MET B 40 15.835 -8.116 -9.653 1.00 0.00 H new ATOM 0 HA MET B 40 17.629 -5.945 -8.819 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.524 -7.305 -7.151 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.255 -5.729 -6.922 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.048 -6.569 -8.736 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.224 -5.108 -7.783 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.016 -2.633 -9.611 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.338 -3.686 -8.212 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.332 -3.830 -9.682 1.00 0.00 H new ATOM 631 N LYS B 41 19.062 -7.196 -7.154 1.00 0.00 N ATOM 632 CA LYS B 41 19.984 -8.008 -6.388 1.00 0.00 C ATOM 633 C LYS B 41 20.380 -7.397 -5.053 1.00 0.00 C ATOM 634 O LYS B 41 20.280 -6.189 -4.846 1.00 0.00 O ATOM 635 CB LYS B 41 21.246 -8.338 -7.171 1.00 0.00 C ATOM 636 CG LYS B 41 21.081 -8.391 -8.688 1.00 0.00 C ATOM 637 CD LYS B 41 22.462 -8.575 -9.319 1.00 0.00 C ATOM 638 CE LYS B 41 22.335 -8.608 -10.836 1.00 0.00 C ATOM 639 NZ LYS B 41 23.656 -8.743 -11.480 1.00 0.00 N ATOM 0 H LYS B 41 19.263 -6.196 -7.151 1.00 0.00 H new ATOM 0 HA LYS B 41 19.428 -8.923 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.007 -7.595 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.623 -9.302 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.423 -9.213 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS B 41 20.618 -7.474 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.121 -7.761 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.915 -9.500 -8.962 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.697 -9.440 -11.132 1.00 0.00 H new ATOM 0 HE3 LYS B 41 21.850 -7.695 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.538 -8.763 -12.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.255 -7.935 -11.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 24.107 -9.626 -11.166 1.00 0.00 H new ATOM 765 N ARG B 49 17.734 -10.424 -5.387 1.00 0.00 N ATOM 766 CA ARG B 49 16.763 -10.169 -4.328 1.00 0.00 C ATOM 767 C ARG B 49 15.672 -11.230 -4.394 1.00 0.00 C ATOM 768 O ARG B 49 14.846 -11.339 -3.492 1.00 0.00 O ATOM 769 CB ARG B 49 16.101 -8.807 -4.533 1.00 0.00 C ATOM 770 CG ARG B 49 17.074 -7.632 -4.474 1.00 0.00 C ATOM 771 CD ARG B 49 17.463 -7.227 -3.057 1.00 0.00 C ATOM 772 NE ARG B 49 16.309 -6.771 -2.276 1.00 0.00 N ATOM 773 CZ ARG B 49 15.878 -5.507 -2.228 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.490 -4.550 -2.918 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.820 -5.195 -1.485 1.00 0.00 N ATOM 0 HA ARG B 49 17.278 -10.190 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.597 -8.801 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.333 -8.669 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG B 49 17.976 -7.891 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.626 -6.775 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.929 -8.074 -2.553 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.208 -6.432 -3.099 1.00 0.00 H new ATOM 0 HE ARG B 49 15.800 -7.467 -1.731 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.301 -4.776 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG B 49 16.149 -3.590 -2.871 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.339 -5.920 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.490 -4.231 -1.447 1.00 0.00 H new ATOM 789 N GLY B 50 15.683 -12.006 -5.481 1.00 0.00 N ATOM 790 CA GLY B 50 14.653 -12.992 -5.756 1.00 0.00 C ATOM 791 C GLY B 50 13.451 -12.369 -6.464 1.00 0.00 C ATOM 792 O GLY B 50 12.478 -13.067 -6.724 1.00 0.00 O ATOM 0 H GLY B 50 16.412 -11.962 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY B 50 15.067 -13.789 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.328 -13.450 -4.822 1.00 0.00 H new ATOM 796 N PHE B 51 13.497 -11.068 -6.782 1.00 0.00 N ATOM 797 CA PHE B 51 12.432 -10.439 -7.549 1.00 0.00 C ATOM 798 C PHE B 51 13.001 -9.539 -8.639 1.00 0.00 C ATOM 799 O PHE B 51 14.158 -9.125 -8.570 1.00 0.00 O ATOM 800 CB PHE B 51 11.465 -9.696 -6.627 1.00 0.00 C ATOM 801 CG PHE B 51 12.013 -8.433 -6.007 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.769 -8.488 -4.828 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.750 -7.195 -6.611 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.261 -7.305 -4.255 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.229 -6.017 -6.028 1.00 0.00 C ATOM 806 CZ PHE B 51 13.005 -6.075 -4.868 1.00 0.00 C ATOM 0 H PHE B 51 14.257 -10.441 -6.519 1.00 0.00 H new ATOM 0 HA PHE B 51 11.860 -11.219 -8.051 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.568 -9.445 -7.193 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.158 -10.371 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.973 -9.440 -4.361 1.00 0.00 H new ATOM 0 HD2 PHE B 51 11.178 -7.151 -7.526 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.836 -7.345 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.999 -5.061 -6.475 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.408 -5.167 -4.444 1.00 0.00 H new ATOM 816 N ALA B 52 12.183 -9.239 -9.648 1.00 0.00 N ATOM 817 CA ALA B 52 12.607 -8.488 -10.816 1.00 0.00 C ATOM 818 C ALA B 52 11.423 -7.765 -11.452 1.00 0.00 C ATOM 819 O ALA B 52 10.303 -7.844 -10.949 1.00 0.00 O ATOM 820 CB ALA B 52 13.210 -9.485 -11.802 1.00 0.00 C ATOM 0 H ALA B 52 11.201 -9.515 -9.672 1.00 0.00 H new ATOM 0 HA ALA B 52 13.339 -7.730 -10.535 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.542 -8.957 -12.696 1.00 0.00 H new ATOM 0 HB2 ALA B 52 14.061 -9.985 -11.339 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.459 -10.226 -12.076 1.00 0.00 H new ATOM 826 N PHE B 53 11.669 -7.061 -12.562 1.00 0.00 N ATOM 827 CA PHE B 53 10.629 -6.358 -13.299 1.00 0.00 C ATOM 828 C PHE B 53 10.893 -6.465 -14.797 1.00 0.00 C ATOM 829 O PHE B 53 12.000 -6.794 -15.216 1.00 0.00 O ATOM 830 CB PHE B 53 10.570 -4.886 -12.872 1.00 0.00 C ATOM 831 CG PHE B 53 10.300 -4.669 -11.408 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.357 -4.782 -10.497 1.00 0.00 C ATOM 833 CD2 PHE B 53 9.009 -4.358 -10.964 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.120 -4.598 -9.132 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.773 -4.170 -9.596 1.00 0.00 C ATOM 836 CZ PHE B 53 9.825 -4.302 -8.679 1.00 0.00 C ATOM 0 H PHE B 53 12.599 -6.966 -12.970 1.00 0.00 H new ATOM 0 HA PHE B 53 9.667 -6.819 -13.075 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.516 -4.409 -13.128 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.793 -4.385 -13.450 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.352 -5.011 -10.848 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.199 -4.264 -11.673 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.933 -4.684 -8.426 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.781 -3.923 -9.248 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.639 -4.176 -7.623 1.00 0.00 H new ATOM 846 N VAL B 54 9.878 -6.186 -15.613 1.00 0.00 N ATOM 847 CA VAL B 54 10.014 -6.203 -17.064 1.00 0.00 C ATOM 848 C VAL B 54 8.989 -5.267 -17.679 1.00 0.00 C ATOM 849 O VAL B 54 7.863 -5.185 -17.194 1.00 0.00 O ATOM 850 CB VAL B 54 9.843 -7.630 -17.603 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.602 -8.308 -17.094 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.842 -7.668 -19.130 1.00 0.00 C ATOM 0 H VAL B 54 8.943 -5.943 -15.286 1.00 0.00 H new ATOM 0 HA VAL B 54 11.013 -5.861 -17.336 1.00 0.00 H new ATOM 0 HB VAL B 54 10.707 -8.178 -17.228 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.539 -9.313 -17.512 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.641 -8.369 -16.006 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.725 -7.735 -17.394 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.719 -8.697 -19.468 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.020 -7.060 -19.509 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.787 -7.274 -19.504 1.00 0.00 H new ATOM 862 N THR B 55 9.375 -4.567 -18.746 1.00 0.00 N ATOM 863 CA THR B 55 8.474 -3.678 -19.464 1.00 0.00 C ATOM 864 C THR B 55 8.232 -4.197 -20.876 1.00 0.00 C ATOM 865 O THR B 55 9.173 -4.388 -21.645 1.00 0.00 O ATOM 866 CB THR B 55 9.021 -2.248 -19.505 1.00 0.00 C ATOM 867 OG1 THR B 55 9.278 -1.800 -18.190 1.00 0.00 O ATOM 868 CG2 THR B 55 7.985 -1.323 -20.144 1.00 0.00 C ATOM 0 H THR B 55 10.318 -4.603 -19.132 1.00 0.00 H new ATOM 0 HA THR B 55 7.524 -3.657 -18.930 1.00 0.00 H new ATOM 0 HB THR B 55 9.942 -2.236 -20.088 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.629 -0.886 -18.219 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.375 -0.305 -20.173 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.773 -1.660 -21.159 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.067 -1.344 -19.556 1.00 0.00 H new ATOM 876 N PHE B 56 6.958 -4.421 -21.206 1.00 0.00 N ATOM 877 CA PHE B 56 6.527 -4.849 -22.525 1.00 0.00 C ATOM 878 C PHE B 56 6.150 -3.666 -23.415 1.00 0.00 C ATOM 879 O PHE B 56 5.798 -2.598 -22.917 1.00 0.00 O ATOM 880 CB PHE B 56 5.313 -5.757 -22.367 1.00 0.00 C ATOM 881 CG PHE B 56 5.626 -7.124 -21.809 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.151 -7.289 -20.516 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.385 -8.243 -22.613 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.429 -8.574 -20.037 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.644 -9.525 -22.125 1.00 0.00 C ATOM 886 CZ PHE B 56 6.153 -9.694 -20.831 1.00 0.00 C ATOM 0 H PHE B 56 6.188 -4.306 -20.547 1.00 0.00 H new ATOM 0 HA PHE B 56 7.355 -5.374 -23.001 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.591 -5.268 -21.713 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.834 -5.875 -23.339 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.339 -6.427 -19.894 1.00 0.00 H new ATOM 0 HD2 PHE B 56 4.998 -8.115 -23.613 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.857 -8.702 -19.054 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.452 -10.388 -22.746 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.332 -10.687 -20.446 1.00 0.00 H new ATOM 896 N GLU B 57 6.221 -3.855 -24.737 1.00 0.00 N ATOM 897 CA GLU B 57 5.765 -2.871 -25.698 1.00 0.00 C ATOM 898 C GLU B 57 4.239 -2.808 -25.746 1.00 0.00 C ATOM 899 O GLU B 57 3.688 -1.789 -26.157 1.00 0.00 O ATOM 900 CB GLU B 57 6.301 -3.234 -27.079 1.00 0.00 C ATOM 901 CG GLU B 57 7.728 -2.719 -27.293 1.00 0.00 C ATOM 902 CD GLU B 57 8.130 -2.706 -28.765 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.329 -3.183 -29.601 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.245 -2.216 -29.052 1.00 0.00 O ATOM 0 H GLU B 57 6.599 -4.701 -25.162 1.00 0.00 H new ATOM 0 HA GLU B 57 6.136 -1.893 -25.392 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.284 -4.317 -27.202 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.646 -2.816 -27.844 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.811 -1.710 -26.888 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.424 -3.345 -26.735 1.00 0.00 H new ATOM 911 N SER B 58 3.548 -3.878 -25.329 1.00 0.00 N ATOM 912 CA SER B 58 2.095 -3.867 -25.254 1.00 0.00 C ATOM 913 C SER B 58 1.657 -4.153 -23.827 1.00 0.00 C ATOM 914 O SER B 58 2.258 -4.993 -23.158 1.00 0.00 O ATOM 915 CB SER B 58 1.521 -4.888 -26.234 1.00 0.00 C ATOM 916 OG SER B 58 0.131 -5.037 -26.031 1.00 0.00 O ATOM 0 H SER B 58 3.978 -4.757 -25.041 1.00 0.00 H new ATOM 0 HA SER B 58 1.715 -2.884 -25.533 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.713 -4.567 -27.258 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.019 -5.848 -26.102 1.00 0.00 H new ATOM 0 HG SER B 58 -0.224 -5.693 -26.667 1.00 0.00 H new ATOM 922 N PRO B 59 0.611 -3.468 -23.351 1.00 0.00 N ATOM 923 CA PRO B 59 0.123 -3.632 -22.003 1.00 0.00 C ATOM 924 C PRO B 59 -0.613 -4.956 -21.863 1.00 0.00 C ATOM 925 O PRO B 59 -0.924 -5.353 -20.746 1.00 0.00 O ATOM 926 CB PRO B 59 -0.852 -2.479 -21.800 1.00 0.00 C ATOM 927 CG PRO B 59 -1.429 -2.299 -23.193 1.00 0.00 C ATOM 928 CD PRO B 59 -0.192 -2.494 -24.067 1.00 0.00 C ATOM 0 HA PRO B 59 0.932 -3.632 -21.273 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.623 -2.721 -21.068 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.350 -1.578 -21.448 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.205 -3.032 -23.413 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.874 -1.313 -23.328 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.461 -2.855 -25.060 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.349 -1.558 -24.204 1.00 0.00 H new ATOM 936 N ALA B 60 -0.895 -5.640 -22.976 1.00 0.00 N ATOM 937 CA ALA B 60 -1.660 -6.875 -22.953 1.00 0.00 C ATOM 938 C ALA B 60 -0.775 -8.061 -23.301 1.00 0.00 C ATOM 939 O ALA B 60 -1.159 -9.205 -23.065 1.00 0.00 O ATOM 940 CB ALA B 60 -2.869 -6.746 -23.874 1.00 0.00 C ATOM 0 H ALA B 60 -0.599 -5.350 -23.908 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.035 -7.058 -21.946 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.441 -7.673 -23.855 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.499 -5.924 -23.534 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.532 -6.548 -24.892 1.00 0.00 H new ATOM 946 N ASP B 61 0.411 -7.805 -23.855 1.00 0.00 N ATOM 947 CA ASP B 61 1.402 -8.851 -24.004 1.00 0.00 C ATOM 948 C ASP B 61 1.948 -9.162 -22.611 1.00 0.00 C ATOM 949 O ASP B 61 2.387 -10.278 -22.343 1.00 0.00 O ATOM 950 CB ASP B 61 2.528 -8.361 -24.909 1.00 0.00 C ATOM 951 CG ASP B 61 2.143 -8.306 -26.388 1.00 0.00 C ATOM 952 OD1 ASP B 61 0.993 -8.680 -26.721 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.013 -7.890 -27.185 1.00 0.00 O ATOM 0 H ASP B 61 0.699 -6.890 -24.202 1.00 0.00 H new ATOM 0 HA ASP B 61 0.965 -9.744 -24.452 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.837 -7.367 -24.585 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.390 -9.017 -24.790 1.00 0.00 H new ATOM 958 N ALA B 62 1.909 -8.158 -21.730 1.00 0.00 N ATOM 959 CA ALA B 62 2.284 -8.325 -20.343 1.00 0.00 C ATOM 960 C ALA B 62 1.162 -9.018 -19.573 1.00 0.00 C ATOM 961 O ALA B 62 1.433 -9.762 -18.634 1.00 0.00 O ATOM 962 CB ALA B 62 2.573 -6.951 -19.750 1.00 0.00 C ATOM 0 H ALA B 62 1.615 -7.211 -21.969 1.00 0.00 H new ATOM 0 HA ALA B 62 3.175 -8.949 -20.270 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.858 -7.059 -18.703 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.388 -6.481 -20.301 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.681 -6.329 -19.821 1.00 0.00 H new ATOM 968 N LYS B 63 -0.100 -8.787 -19.963 1.00 0.00 N ATOM 969 CA LYS B 63 -1.226 -9.480 -19.349 1.00 0.00 C ATOM 970 C LYS B 63 -1.166 -10.951 -19.725 1.00 0.00 C ATOM 971 O LYS B 63 -1.442 -11.812 -18.899 1.00 0.00 O ATOM 972 CB LYS B 63 -2.554 -8.907 -19.848 1.00 0.00 C ATOM 973 CG LYS B 63 -2.802 -7.508 -19.286 1.00 0.00 C ATOM 974 CD LYS B 63 -4.031 -6.849 -19.911 1.00 0.00 C ATOM 975 CE LYS B 63 -5.277 -7.697 -19.651 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.481 -7.073 -20.235 1.00 0.00 N ATOM 0 H LYS B 63 -0.359 -8.128 -20.697 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.165 -9.352 -18.268 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.549 -8.868 -20.937 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.370 -9.568 -19.556 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.934 -7.569 -18.206 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.926 -6.885 -19.465 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.168 -5.851 -19.495 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.882 -6.729 -20.984 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.138 -8.691 -20.075 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.415 -7.825 -18.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.310 -7.671 -20.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.625 -6.134 -19.812 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.357 -6.974 -21.263 1.00 0.00 H new ATOM 990 N ASP B 64 -0.803 -11.248 -20.973 1.00 0.00 N ATOM 991 CA ASP B 64 -0.769 -12.617 -21.449 1.00 0.00 C ATOM 992 C ASP B 64 0.328 -13.399 -20.743 1.00 0.00 C ATOM 993 O ASP B 64 0.172 -14.588 -20.491 1.00 0.00 O ATOM 994 CB ASP B 64 -0.515 -12.589 -22.953 1.00 0.00 C ATOM 995 CG ASP B 64 -0.729 -13.961 -23.588 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.866 -14.473 -23.485 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.245 -14.484 -24.174 1.00 0.00 O ATOM 0 H ASP B 64 -0.529 -10.553 -21.668 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.718 -13.109 -21.237 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.181 -11.864 -23.421 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.505 -12.255 -23.144 1.00 0.00 H new ATOM 1002 N ALA B 65 1.434 -12.724 -20.423 1.00 0.00 N ATOM 1003 CA ALA B 65 2.501 -13.342 -19.656 1.00 0.00 C ATOM 1004 C ALA B 65 2.080 -13.472 -18.195 1.00 0.00 C ATOM 1005 O ALA B 65 2.284 -14.511 -17.573 1.00 0.00 O ATOM 1006 CB ALA B 65 3.770 -12.494 -19.750 1.00 0.00 C ATOM 0 H ALA B 65 1.608 -11.754 -20.685 1.00 0.00 H new ATOM 0 HA ALA B 65 2.701 -14.333 -20.063 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.566 -12.964 -19.172 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.078 -12.414 -20.793 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.573 -11.498 -19.352 1.00 0.00 H new ATOM 1012 N ALA B 66 1.485 -12.416 -17.636 1.00 0.00 N ATOM 1013 CA ALA B 66 1.081 -12.402 -16.243 1.00 0.00 C ATOM 1014 C ALA B 66 -0.120 -13.321 -16.001 1.00 0.00 C ATOM 1015 O ALA B 66 -0.519 -13.538 -14.857 1.00 0.00 O ATOM 1016 CB ALA B 66 0.785 -10.951 -15.858 1.00 0.00 C ATOM 0 H ALA B 66 1.274 -11.554 -18.140 1.00 0.00 H new ATOM 0 HA ALA B 66 1.881 -12.790 -15.613 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.478 -10.907 -14.813 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.682 -10.347 -15.998 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.016 -10.563 -16.488 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.693 -13.861 -17.082 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.765 -14.850 -17.038 1.00 0.00 C ATOM 1024 C ARG B 67 -1.270 -16.255 -17.391 1.00 0.00 C ATOM 1025 O ARG B 67 -2.083 -17.176 -17.475 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.876 -14.419 -17.994 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.590 -13.185 -17.449 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.510 -12.567 -18.501 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.564 -13.503 -18.915 1.00 0.00 N ATOM 1030 CZ ARG B 67 -6.716 -13.685 -18.266 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -6.990 -12.999 -17.160 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -7.603 -14.564 -18.724 1.00 0.00 N ATOM 0 H ARG B 67 -0.415 -13.614 -18.032 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.146 -14.898 -16.018 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.457 -14.201 -18.976 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.589 -15.233 -18.125 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.172 -13.458 -16.569 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.854 -12.448 -17.128 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.964 -11.661 -18.101 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.923 -12.272 -19.371 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.404 -14.053 -19.759 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -6.316 -12.324 -16.798 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -7.874 -13.148 -16.674 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -7.402 -15.098 -19.570 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -8.484 -14.704 -18.229 1.00 0.00 H new ATOM 1046 N ASP B 68 0.037 -16.442 -17.598 1.00 0.00 N ATOM 1047 CA ASP B 68 0.579 -17.711 -18.036 1.00 0.00 C ATOM 1048 C ASP B 68 1.692 -18.139 -17.100 1.00 0.00 C ATOM 1049 O ASP B 68 1.697 -19.243 -16.564 1.00 0.00 O ATOM 1050 CB ASP B 68 1.201 -17.492 -19.411 1.00 0.00 C ATOM 1051 CG ASP B 68 0.336 -18.056 -20.535 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.855 -17.681 -20.599 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.875 -18.863 -21.323 1.00 0.00 O ATOM 0 H ASP B 68 0.739 -15.714 -17.464 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.207 -18.466 -18.055 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.353 -16.425 -19.573 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.184 -17.962 -19.442 1.00 0.00 H new ATOM 1058 N MET B 69 2.629 -17.212 -16.929 1.00 0.00 N ATOM 1059 CA MET B 69 3.837 -17.371 -16.157 1.00 0.00 C ATOM 1060 C MET B 69 3.604 -17.138 -14.665 1.00 0.00 C ATOM 1061 O MET B 69 4.482 -17.434 -13.857 1.00 0.00 O ATOM 1062 CB MET B 69 4.818 -16.354 -16.717 1.00 0.00 C ATOM 1063 CG MET B 69 5.695 -16.961 -17.804 1.00 0.00 C ATOM 1064 SD MET B 69 6.693 -18.387 -17.313 1.00 0.00 S ATOM 1065 CE MET B 69 7.566 -17.597 -15.948 1.00 0.00 C ATOM 0 H MET B 69 2.554 -16.286 -17.350 1.00 0.00 H new ATOM 0 HA MET B 69 4.214 -18.391 -16.237 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.270 -15.504 -17.123 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.447 -15.972 -15.912 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.056 -17.259 -18.635 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.364 -16.186 -18.178 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.572 -18.009 -15.872 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.626 -16.524 -16.127 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.028 -17.780 -15.018 1.00 0.00 H new ATOM 1075 N ASN B 70 2.441 -16.610 -14.282 1.00 0.00 N ATOM 1076 CA ASN B 70 2.146 -16.374 -12.880 1.00 0.00 C ATOM 1077 C ASN B 70 1.877 -17.704 -12.178 1.00 0.00 C ATOM 1078 O ASN B 70 1.039 -18.488 -12.622 1.00 0.00 O ATOM 1079 CB ASN B 70 0.948 -15.426 -12.769 1.00 0.00 C ATOM 1080 CG ASN B 70 0.648 -15.040 -11.330 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.486 -15.196 -10.444 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.556 -14.531 -11.084 1.00 0.00 N ATOM 0 H ASN B 70 1.695 -16.341 -14.924 1.00 0.00 H new ATOM 0 HA ASN B 70 3.000 -15.906 -12.390 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.145 -14.525 -13.351 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.070 -15.902 -13.206 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.809 -14.256 -10.135 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.226 -14.416 -11.844 1.00 0.00 H new ATOM 1089 N GLY B 71 2.590 -17.955 -11.079 1.00 0.00 N ATOM 1090 CA GLY B 71 2.434 -19.169 -10.293 1.00 0.00 C ATOM 1091 C GLY B 71 3.287 -20.317 -10.832 1.00 0.00 C ATOM 1092 O GLY B 71 3.372 -21.366 -10.196 1.00 0.00 O ATOM 0 H GLY B 71 3.294 -17.315 -10.711 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.710 -18.968 -9.258 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.386 -19.467 -10.291 1.00 0.00 H new ATOM 1096 N LYS B 72 3.921 -20.132 -11.997 1.00 0.00 N ATOM 1097 CA LYS B 72 4.840 -21.072 -12.586 1.00 0.00 C ATOM 1098 C LYS B 72 6.218 -20.900 -11.975 1.00 0.00 C ATOM 1099 O LYS B 72 6.356 -20.393 -10.866 1.00 0.00 O ATOM 1100 CB LYS B 72 4.894 -20.799 -14.081 1.00 0.00 C ATOM 1101 CG LYS B 72 3.517 -20.752 -14.745 1.00 0.00 C ATOM 1102 CD LYS B 72 2.742 -22.049 -14.515 1.00 0.00 C ATOM 1103 CE LYS B 72 1.393 -21.970 -15.235 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.611 -23.208 -15.057 1.00 0.00 N ATOM 0 H LYS B 72 3.794 -19.292 -12.561 1.00 0.00 H new ATOM 0 HA LYS B 72 4.509 -22.094 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.402 -19.850 -14.250 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.494 -21.572 -14.562 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.948 -19.911 -14.348 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.633 -20.581 -15.815 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.315 -22.899 -14.886 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.588 -22.209 -13.448 1.00 0.00 H new ATOM 0 HE2 LYS B 72 0.825 -21.122 -14.853 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.557 -21.792 -16.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.296 -23.120 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.143 -24.013 -15.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.434 -23.364 -14.044 1.00 0.00 H new ATOM 1118 N SER B 73 7.237 -21.331 -12.714 1.00 0.00 N ATOM 1119 CA SER B 73 8.611 -21.338 -12.259 1.00 0.00 C ATOM 1120 C SER B 73 9.542 -20.791 -13.328 1.00 0.00 C ATOM 1121 O SER B 73 9.242 -20.863 -14.520 1.00 0.00 O ATOM 1122 CB SER B 73 8.940 -22.778 -11.907 1.00 0.00 C ATOM 1123 OG SER B 73 10.235 -22.889 -11.361 1.00 0.00 O ATOM 0 H SER B 73 7.121 -21.690 -13.662 1.00 0.00 H new ATOM 0 HA SER B 73 8.744 -20.693 -11.390 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.208 -23.156 -11.193 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.865 -23.399 -12.800 1.00 0.00 H new ATOM 0 HG SER B 73 10.480 -23.835 -11.291 1.00 0.00 H new ATOM 1129 N LEU B 74 10.675 -20.236 -12.887 1.00 0.00 N ATOM 1130 CA LEU B 74 11.613 -19.612 -13.809 1.00 0.00 C ATOM 1131 C LEU B 74 12.783 -20.533 -14.108 1.00 0.00 C ATOM 1132 O LEU B 74 12.962 -20.996 -15.232 1.00 0.00 O ATOM 1133 CB LEU B 74 12.113 -18.282 -13.238 1.00 0.00 C ATOM 1134 CG LEU B 74 12.525 -17.277 -14.316 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.577 -17.806 -15.283 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.282 -16.857 -15.091 1.00 0.00 C ATOM 0 H LEU B 74 10.958 -20.209 -11.907 1.00 0.00 H new ATOM 0 HA LEU B 74 11.089 -19.419 -14.745 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.329 -17.842 -12.621 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.964 -18.472 -12.584 1.00 0.00 H new ATOM 0 HG LEU B 74 12.984 -16.430 -13.806 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.817 -17.036 -16.017 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.478 -18.073 -14.730 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.190 -18.687 -15.795 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.560 -16.140 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.829 -17.733 -15.555 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.567 -16.397 -14.410 1.00 0.00 H new ATOM 1148 N ASP B 75 13.578 -20.788 -13.068 1.00 0.00 N ATOM 1149 CA ASP B 75 14.787 -21.581 -13.164 1.00 0.00 C ATOM 1150 C ASP B 75 14.708 -22.785 -12.253 1.00 0.00 C ATOM 1151 O ASP B 75 15.712 -23.425 -11.948 1.00 0.00 O ATOM 1152 CB ASP B 75 15.984 -20.705 -12.809 1.00 0.00 C ATOM 1153 CG ASP B 75 17.283 -21.285 -13.358 1.00 0.00 C ATOM 1154 OD1 ASP B 75 17.370 -21.436 -14.597 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.182 -21.572 -12.539 1.00 0.00 O ATOM 0 H ASP B 75 13.391 -20.442 -12.127 1.00 0.00 H new ATOM 0 HA ASP B 75 14.902 -21.949 -14.184 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.834 -19.702 -13.209 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.057 -20.608 -11.726 1.00 0.00 H new ATOM 1160 N GLY B 76 13.485 -23.080 -11.822 1.00 0.00 N ATOM 1161 CA GLY B 76 13.232 -24.157 -10.897 1.00 0.00 C ATOM 1162 C GLY B 76 12.592 -23.629 -9.621 1.00 0.00 C ATOM 1163 O GLY B 76 12.190 -24.412 -8.762 1.00 0.00 O ATOM 0 H GLY B 76 12.648 -22.573 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY B 76 12.577 -24.895 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.166 -24.665 -10.658 1.00 0.00 H new ATOM 1167 N LYS B 77 12.501 -22.302 -9.509 1.00 0.00 N ATOM 1168 CA LYS B 77 11.916 -21.626 -8.368 1.00 0.00 C ATOM 1169 C LYS B 77 10.624 -20.963 -8.800 1.00 0.00 C ATOM 1170 O LYS B 77 10.588 -20.278 -9.825 1.00 0.00 O ATOM 1171 CB LYS B 77 12.910 -20.637 -7.762 1.00 0.00 C ATOM 1172 CG LYS B 77 14.249 -21.325 -7.484 1.00 0.00 C ATOM 1173 CD LYS B 77 14.115 -22.532 -6.554 1.00 0.00 C ATOM 1174 CE LYS B 77 15.386 -23.372 -6.645 1.00 0.00 C ATOM 1175 NZ LYS B 77 15.345 -24.503 -5.702 1.00 0.00 N ATOM 0 H LYS B 77 12.841 -21.662 -10.227 1.00 0.00 H new ATOM 0 HA LYS B 77 11.682 -22.345 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS B 77 13.059 -19.799 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.506 -20.227 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.689 -21.647 -8.428 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.937 -20.605 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.955 -22.201 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.248 -23.130 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.506 -23.747 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS B 77 16.254 -22.748 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.221 -25.057 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 15.255 -24.142 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.530 -25.110 -5.923 1.00 0.00 H new ATOM 1189 N ALA B 78 9.563 -21.170 -8.023 1.00 0.00 N ATOM 1190 CA ALA B 78 8.240 -20.712 -8.401 1.00 0.00 C ATOM 1191 C ALA B 78 8.089 -19.213 -8.185 1.00 0.00 C ATOM 1192 O ALA B 78 8.534 -18.679 -7.171 1.00 0.00 O ATOM 1193 CB ALA B 78 7.184 -21.511 -7.647 1.00 0.00 C ATOM 0 H ALA B 78 9.600 -21.654 -7.126 1.00 0.00 H new ATOM 0 HA ALA B 78 8.097 -20.884 -9.468 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.191 -21.164 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.284 -22.568 -7.893 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.321 -21.373 -6.574 1.00 0.00 H new ATOM 1199 N ILE B 79 7.459 -18.541 -9.150 1.00 0.00 N ATOM 1200 CA ILE B 79 7.349 -17.090 -9.143 1.00 0.00 C ATOM 1201 C ILE B 79 5.915 -16.575 -9.086 1.00 0.00 C ATOM 1202 O ILE B 79 4.945 -17.327 -9.171 1.00 0.00 O ATOM 1203 CB ILE B 79 8.031 -16.505 -10.386 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.230 -16.825 -11.654 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.463 -17.021 -10.511 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.787 -16.049 -12.843 1.00 0.00 C ATOM 0 H ILE B 79 7.015 -18.988 -9.952 1.00 0.00 H new ATOM 0 HA ILE B 79 7.843 -16.763 -8.228 1.00 0.00 H new ATOM 0 HB ILE B 79 8.065 -15.422 -10.271 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.271 -17.895 -11.858 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.181 -16.570 -11.504 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.928 -16.593 -11.399 1.00 0.00 H new ATOM 0 HG22 ILE B 79 10.033 -16.731 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.452 -18.108 -10.595 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.208 -16.286 -13.736 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.722 -14.980 -12.642 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.829 -16.326 -13.002 1.00 0.00 H new ATOM 1218 N LYS B 80 5.823 -15.254 -8.947 1.00 0.00 N ATOM 1219 CA LYS B 80 4.611 -14.468 -9.057 1.00 0.00 C ATOM 1220 C LYS B 80 4.789 -13.528 -10.243 1.00 0.00 C ATOM 1221 O LYS B 80 5.884 -12.994 -10.433 1.00 0.00 O ATOM 1222 CB LYS B 80 4.425 -13.648 -7.778 1.00 0.00 C ATOM 1223 CG LYS B 80 3.098 -12.885 -7.779 1.00 0.00 C ATOM 1224 CD LYS B 80 3.103 -11.837 -6.666 1.00 0.00 C ATOM 1225 CE LYS B 80 1.774 -11.090 -6.635 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.812 -9.989 -5.654 1.00 0.00 N ATOM 0 H LYS B 80 6.640 -14.679 -8.744 1.00 0.00 H new ATOM 0 HA LYS B 80 3.739 -15.107 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.463 -14.310 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS B 80 5.250 -12.943 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.946 -12.403 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.269 -13.578 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS B 80 3.279 -12.319 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.920 -11.133 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.552 -10.692 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.970 -11.781 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 1.212 -10.229 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 2.790 -9.844 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.460 -9.117 -6.098 1.00 0.00 H new ATOM 1240 N VAL B 81 3.734 -13.319 -11.032 1.00 0.00 N ATOM 1241 CA VAL B 81 3.779 -12.345 -12.112 1.00 0.00 C ATOM 1242 C VAL B 81 2.529 -11.485 -12.040 1.00 0.00 C ATOM 1243 O VAL B 81 1.413 -11.996 -12.016 1.00 0.00 O ATOM 1244 CB VAL B 81 3.931 -13.027 -13.470 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.089 -11.972 -14.566 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.172 -13.920 -13.480 1.00 0.00 C ATOM 0 H VAL B 81 2.845 -13.810 -10.941 1.00 0.00 H new ATOM 0 HA VAL B 81 4.655 -11.707 -11.996 1.00 0.00 H new ATOM 0 HB VAL B 81 3.041 -13.630 -13.651 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.197 -12.465 -15.532 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.208 -11.330 -14.582 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.974 -11.369 -14.365 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.267 -14.400 -14.454 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.057 -13.315 -13.285 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.077 -14.683 -12.708 1.00 0.00 H new ATOM 1256 N GLU B 82 2.728 -10.166 -12.006 1.00 0.00 N ATOM 1257 CA GLU B 82 1.641 -9.221 -11.800 1.00 0.00 C ATOM 1258 C GLU B 82 2.045 -7.863 -12.357 1.00 0.00 C ATOM 1259 O GLU B 82 3.225 -7.627 -12.586 1.00 0.00 O ATOM 1260 CB GLU B 82 1.385 -9.129 -10.291 1.00 0.00 C ATOM 1261 CG GLU B 82 0.121 -8.341 -9.943 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.169 -8.422 -8.447 1.00 0.00 C ATOM 1263 OE1 GLU B 82 0.739 -8.070 -7.657 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.297 -8.835 -8.096 1.00 0.00 O ATOM 0 H GLU B 82 3.643 -9.730 -12.120 1.00 0.00 H new ATOM 0 HA GLU B 82 0.735 -9.545 -12.311 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.303 -10.135 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.243 -8.658 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.243 -7.299 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.726 -8.735 -10.505 1.00 0.00 H new ATOM 1271 N GLN B 83 1.091 -6.954 -12.576 1.00 0.00 N ATOM 1272 CA GLN B 83 1.430 -5.589 -12.940 1.00 0.00 C ATOM 1273 C GLN B 83 2.167 -4.974 -11.754 1.00 0.00 C ATOM 1274 O GLN B 83 1.753 -5.128 -10.604 1.00 0.00 O ATOM 1275 CB GLN B 83 0.148 -4.834 -13.293 1.00 0.00 C ATOM 1276 CG GLN B 83 0.322 -3.313 -13.299 1.00 0.00 C ATOM 1277 CD GLN B 83 1.279 -2.799 -14.360 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.267 -3.246 -15.505 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.120 -1.844 -13.973 1.00 0.00 N ATOM 0 H GLN B 83 0.091 -7.142 -12.507 1.00 0.00 H new ATOM 0 HA GLN B 83 2.077 -5.542 -13.816 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.197 -5.157 -14.275 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.631 -5.101 -12.578 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.652 -2.848 -13.449 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.679 -2.996 -12.319 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.096 -1.502 -13.012 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.789 -1.454 -14.637 1.00 0.00 H new ATOM 1288 N ALA B 84 3.264 -4.269 -12.029 1.00 0.00 N ATOM 1289 CA ALA B 84 4.124 -3.750 -10.986 1.00 0.00 C ATOM 1290 C ALA B 84 3.531 -2.530 -10.295 1.00 0.00 C ATOM 1291 O ALA B 84 2.738 -1.788 -10.883 1.00 0.00 O ATOM 1292 CB ALA B 84 5.478 -3.389 -11.592 1.00 0.00 C ATOM 0 H ALA B 84 3.573 -4.047 -12.975 1.00 0.00 H new ATOM 0 HA ALA B 84 4.234 -4.526 -10.228 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.132 -2.997 -10.813 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.929 -4.279 -12.031 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.341 -2.633 -12.365 1.00 0.00 H new ATOM 1298 N THR B 85 3.936 -2.325 -9.039 1.00 0.00 N ATOM 1299 CA THR B 85 3.645 -1.108 -8.303 1.00 0.00 C ATOM 1300 C THR B 85 4.948 -0.397 -7.981 1.00 0.00 C ATOM 1301 O THR B 85 6.037 -0.939 -8.182 1.00 0.00 O ATOM 1302 CB THR B 85 2.872 -1.368 -7.013 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.595 -2.244 -6.178 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.507 -1.985 -7.317 1.00 0.00 C ATOM 0 H THR B 85 4.478 -3.007 -8.508 1.00 0.00 H new ATOM 0 HA THR B 85 3.011 -0.487 -8.935 1.00 0.00 H new ATOM 0 HB THR B 85 2.731 -0.412 -6.508 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.090 -2.401 -5.353 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.972 -2.163 -6.384 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.930 -1.303 -7.942 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.644 -2.930 -7.842 1.00 0.00 H new