USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=11 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= -2.67! X(o=-2.7!,f=-2.6) USER MOD Single : B 17 THR OG1 : rot 65:sc= 1.2 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.024 USER MOD Single : B 20 ASN : amide:sc=-0.00497 X(o=-0.005,f=-0.005) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00252) USER MOD Single : B 31 TYR OH : rot 179:sc= 0.0281 USER MOD Single : B 40 MET CE :methyl -130:sc= -0.216 (180deg=-2.15!) 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= -0.0376 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -166:sc= -1.25 (180deg=-1.9) USER MOD Single : B 70 ASN : amide:sc= -0.0419 K(o=-0.042,f=-2.4) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot -170:sc= -0.0815 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 138:sc= 0.87 (180deg=0.024) USER MOD Single : B 83 GLN : amide:sc= 0.811 K(o=0.81,f=0) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.252 -2.660 -19.009 1.00 0.00 N ATOM 112 CA GLY B 8 3.338 -3.347 -19.679 1.00 0.00 C ATOM 113 C GLY B 8 4.459 -3.630 -18.694 1.00 0.00 C ATOM 114 O GLY B 8 5.279 -4.506 -18.944 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.977 -4.281 -20.111 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.711 -2.738 -20.503 1.00 0.00 H new ATOM 118 N LYS B 9 4.499 -2.902 -17.573 1.00 0.00 N ATOM 119 CA LYS B 9 5.477 -3.175 -16.539 1.00 0.00 C ATOM 120 C LYS B 9 4.943 -4.260 -15.620 1.00 0.00 C ATOM 121 O LYS B 9 3.819 -4.175 -15.127 1.00 0.00 O ATOM 122 CB LYS B 9 5.838 -1.912 -15.760 1.00 0.00 C ATOM 123 CG LYS B 9 6.946 -2.281 -14.772 1.00 0.00 C ATOM 124 CD LYS B 9 7.355 -1.104 -13.888 1.00 0.00 C ATOM 125 CE LYS B 9 8.057 -0.030 -14.723 1.00 0.00 C ATOM 126 NZ LYS B 9 8.484 1.099 -13.879 1.00 0.00 N ATOM 0 H LYS B 9 3.867 -2.128 -17.368 1.00 0.00 H new ATOM 0 HA LYS B 9 6.397 -3.526 -17.007 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.174 -1.127 -16.437 1.00 0.00 H new ATOM 0 HB3 LYS B 9 4.967 -1.525 -15.232 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.608 -3.104 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.816 -2.637 -15.323 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.475 -0.680 -13.405 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.019 -1.449 -13.095 1.00 0.00 H new ATOM 0 HE2 LYS B 9 8.923 -0.462 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.384 0.328 -15.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.957 1.813 -14.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.653 1.524 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.144 0.758 -13.151 1.00 0.00 H new ATOM 140 N LEU B 10 5.758 -5.286 -15.390 1.00 0.00 N ATOM 141 CA LEU B 10 5.396 -6.422 -14.570 1.00 0.00 C ATOM 142 C LEU B 10 6.344 -6.533 -13.381 1.00 0.00 C ATOM 143 O LEU B 10 7.490 -6.095 -13.453 1.00 0.00 O ATOM 144 CB LEU B 10 5.492 -7.684 -15.422 1.00 0.00 C ATOM 145 CG LEU B 10 4.468 -7.775 -16.554 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.725 -9.094 -17.276 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.033 -7.792 -16.038 1.00 0.00 C ATOM 0 H LEU B 10 6.700 -5.346 -15.777 1.00 0.00 H new ATOM 0 HA LEU B 10 4.380 -6.297 -14.195 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.492 -7.740 -15.851 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.374 -8.552 -14.774 1.00 0.00 H new ATOM 0 HG LEU B 10 4.578 -6.904 -17.200 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.015 -9.204 -18.096 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.741 -9.100 -17.672 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.603 -9.921 -16.577 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.344 -7.857 -16.880 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.891 -8.654 -15.385 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.837 -6.877 -15.479 1.00 0.00 H new ATOM 159 N PHE B 11 5.850 -7.128 -12.300 1.00 0.00 N ATOM 160 CA PHE B 11 6.635 -7.479 -11.135 1.00 0.00 C ATOM 161 C PHE B 11 6.821 -8.987 -11.146 1.00 0.00 C ATOM 162 O PHE B 11 5.851 -9.721 -11.318 1.00 0.00 O ATOM 163 CB PHE B 11 5.926 -7.027 -9.861 1.00 0.00 C ATOM 164 CG PHE B 11 6.547 -7.623 -8.617 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.780 -7.143 -8.155 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.900 -8.660 -7.932 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.357 -7.690 -7.003 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.482 -9.214 -6.782 1.00 0.00 C ATOM 169 CZ PHE B 11 7.712 -8.725 -6.320 1.00 0.00 C ATOM 0 H PHE B 11 4.866 -7.384 -12.214 1.00 0.00 H new ATOM 0 HA PHE B 11 7.604 -6.981 -11.160 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.959 -5.939 -9.796 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.875 -7.312 -9.912 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.285 -6.351 -8.688 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.952 -9.033 -8.290 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.302 -7.312 -6.641 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.984 -10.014 -6.255 1.00 0.00 H new ATOM 0 HZ PHE B 11 8.162 -9.149 -5.435 1.00 0.00 H new ATOM 179 N ILE B 12 8.059 -9.443 -10.965 1.00 0.00 N ATOM 180 CA ILE B 12 8.405 -10.848 -11.091 1.00 0.00 C ATOM 181 C ILE B 12 9.015 -11.342 -9.782 1.00 0.00 C ATOM 182 O ILE B 12 10.234 -11.434 -9.668 1.00 0.00 O ATOM 183 CB ILE B 12 9.377 -11.041 -12.268 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.075 -10.204 -13.521 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.378 -12.521 -12.629 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.701 -10.434 -14.150 1.00 0.00 C ATOM 0 H ILE B 12 8.849 -8.843 -10.726 1.00 0.00 H new ATOM 0 HA ILE B 12 7.508 -11.434 -11.294 1.00 0.00 H new ATOM 0 HB ILE B 12 10.351 -10.686 -11.930 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.165 -9.149 -13.262 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.838 -10.415 -14.270 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.059 -12.692 -13.463 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.704 -13.105 -11.768 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.371 -12.827 -12.915 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.590 -9.795 -15.026 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.608 -11.478 -14.448 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.924 -10.193 -13.425 1.00 0.00 H new ATOM 198 N GLY B 13 8.185 -11.665 -8.784 1.00 0.00 N ATOM 199 CA GLY B 13 8.695 -12.080 -7.480 1.00 0.00 C ATOM 200 C GLY B 13 8.780 -13.600 -7.358 1.00 0.00 C ATOM 201 O GLY B 13 7.978 -14.307 -7.952 1.00 0.00 O ATOM 0 H GLY B 13 7.168 -11.646 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.683 -11.648 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.047 -11.689 -6.696 1.00 0.00 H new ATOM 205 N GLY B 14 9.746 -14.106 -6.588 1.00 0.00 N ATOM 206 CA GLY B 14 9.833 -15.529 -6.274 1.00 0.00 C ATOM 207 C GLY B 14 10.827 -16.244 -7.188 1.00 0.00 C ATOM 208 O GLY B 14 10.884 -17.471 -7.206 1.00 0.00 O ATOM 0 H GLY B 14 10.485 -13.542 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.137 -15.656 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.849 -15.986 -6.377 1.00 0.00 H new ATOM 212 N LEU B 15 11.609 -15.471 -7.944 1.00 0.00 N ATOM 213 CA LEU B 15 12.590 -15.995 -8.878 1.00 0.00 C ATOM 214 C LEU B 15 13.712 -16.734 -8.153 1.00 0.00 C ATOM 215 O LEU B 15 13.891 -16.603 -6.943 1.00 0.00 O ATOM 216 CB LEU B 15 13.200 -14.833 -9.658 1.00 0.00 C ATOM 217 CG LEU B 15 12.205 -14.103 -10.552 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.780 -12.740 -10.921 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.036 -14.898 -11.838 1.00 0.00 C ATOM 0 H LEU B 15 11.573 -14.452 -7.920 1.00 0.00 H new ATOM 0 HA LEU B 15 12.086 -16.695 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.631 -14.122 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.018 -15.209 -10.272 1.00 0.00 H new ATOM 0 HG LEU B 15 11.253 -13.991 -10.033 1.00 0.00 H new ATOM 0 HD11 LEU B 15 12.075 -12.209 -11.561 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.954 -12.161 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.722 -12.874 -11.452 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.326 -14.389 -12.490 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.998 -14.981 -12.344 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.662 -15.895 -11.603 1.00 0.00 H new ATOM 231 N ASN B 16 14.472 -17.516 -8.917 1.00 0.00 N ATOM 232 CA ASN B 16 15.645 -18.201 -8.422 1.00 0.00 C ATOM 233 C ASN B 16 16.775 -17.197 -8.191 1.00 0.00 C ATOM 234 O ASN B 16 16.784 -16.118 -8.788 1.00 0.00 O ATOM 235 CB ASN B 16 16.020 -19.256 -9.450 1.00 0.00 C ATOM 236 CG ASN B 16 17.063 -20.241 -8.980 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.297 -20.411 -7.787 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.688 -20.892 -9.947 1.00 0.00 N ATOM 0 H ASN B 16 14.282 -17.688 -9.904 1.00 0.00 H new ATOM 0 HA ASN B 16 15.452 -18.683 -7.464 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.122 -19.804 -9.734 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.387 -18.757 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.407 -21.578 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.450 -20.708 -10.922 1.00 0.00 H new ATOM 245 N THR B 17 17.728 -17.541 -7.325 1.00 0.00 N ATOM 246 CA THR B 17 18.856 -16.671 -7.017 1.00 0.00 C ATOM 247 C THR B 17 19.882 -16.695 -8.145 1.00 0.00 C ATOM 248 O THR B 17 20.900 -16.009 -8.084 1.00 0.00 O ATOM 249 CB THR B 17 19.505 -17.117 -5.710 1.00 0.00 C ATOM 250 OG1 THR B 17 19.930 -18.457 -5.796 1.00 0.00 O ATOM 251 CG2 THR B 17 18.497 -17.030 -4.571 1.00 0.00 C ATOM 0 H THR B 17 17.738 -18.427 -6.821 1.00 0.00 H new ATOM 0 HA THR B 17 18.490 -15.650 -6.910 1.00 0.00 H new ATOM 0 HB THR B 17 20.358 -16.463 -5.525 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.640 -18.533 -6.467 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.969 -17.350 -3.642 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.153 -16.001 -4.467 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.647 -17.677 -4.788 1.00 0.00 H new ATOM 259 N GLU B 18 19.601 -17.499 -9.175 1.00 0.00 N ATOM 260 CA GLU B 18 20.523 -17.803 -10.252 1.00 0.00 C ATOM 261 C GLU B 18 20.067 -17.154 -11.559 1.00 0.00 C ATOM 262 O GLU B 18 20.775 -17.209 -12.565 1.00 0.00 O ATOM 263 CB GLU B 18 20.582 -19.325 -10.403 1.00 0.00 C ATOM 264 CG GLU B 18 20.563 -20.046 -9.049 1.00 0.00 C ATOM 265 CD GLU B 18 21.850 -19.786 -8.260 1.00 0.00 C ATOM 266 OE1 GLU B 18 21.888 -18.799 -7.490 1.00 0.00 O ATOM 267 OE2 GLU B 18 22.796 -20.584 -8.433 1.00 0.00 O ATOM 0 H GLU B 18 18.699 -17.964 -9.277 1.00 0.00 H new ATOM 0 HA GLU B 18 21.511 -17.406 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.736 -19.661 -11.003 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.487 -19.599 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.704 -19.710 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.441 -21.118 -9.207 1.00 0.00 H new ATOM 274 N THR B 19 18.883 -16.541 -11.540 1.00 0.00 N ATOM 275 CA THR B 19 18.289 -15.912 -12.710 1.00 0.00 C ATOM 276 C THR B 19 18.897 -14.533 -12.931 1.00 0.00 C ATOM 277 O THR B 19 19.229 -13.836 -11.972 1.00 0.00 O ATOM 278 CB THR B 19 16.773 -15.806 -12.511 1.00 0.00 C ATOM 279 OG1 THR B 19 16.235 -17.076 -12.222 1.00 0.00 O ATOM 280 CG2 THR B 19 16.078 -15.270 -13.761 1.00 0.00 C ATOM 0 H THR B 19 18.307 -16.469 -10.701 1.00 0.00 H new ATOM 0 HA THR B 19 18.492 -16.519 -13.592 1.00 0.00 H new ATOM 0 HB THR B 19 16.603 -15.117 -11.684 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.266 -17.000 -12.094 1.00 0.00 H new ATOM 0 HG21 THR B 19 15.004 -15.209 -13.582 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.464 -14.278 -13.995 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.269 -15.940 -14.599 1.00 0.00 H new ATOM 288 N ASN B 20 19.041 -14.136 -14.196 1.00 0.00 N ATOM 289 CA ASN B 20 19.520 -12.808 -14.548 1.00 0.00 C ATOM 290 C ASN B 20 18.618 -12.207 -15.611 1.00 0.00 C ATOM 291 O ASN B 20 17.545 -12.730 -15.901 1.00 0.00 O ATOM 292 CB ASN B 20 20.958 -12.831 -15.069 1.00 0.00 C ATOM 293 CG ASN B 20 21.764 -14.008 -14.563 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.300 -13.988 -13.460 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.843 -15.043 -15.386 1.00 0.00 N ATOM 0 H ASN B 20 18.828 -14.727 -15.000 1.00 0.00 H new ATOM 0 HA ASN B 20 19.501 -12.204 -13.641 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.941 -12.854 -16.159 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.457 -11.907 -14.777 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.368 -15.873 -15.112 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.379 -15.010 -16.294 1.00 0.00 H new ATOM 302 N GLU B 21 19.066 -11.096 -16.192 1.00 0.00 N ATOM 303 CA GLU B 21 18.289 -10.341 -17.159 1.00 0.00 C ATOM 304 C GLU B 21 18.169 -11.112 -18.463 1.00 0.00 C ATOM 305 O GLU B 21 17.151 -11.019 -19.143 1.00 0.00 O ATOM 306 CB GLU B 21 18.976 -9.002 -17.405 1.00 0.00 C ATOM 307 CG GLU B 21 18.882 -8.149 -16.145 1.00 0.00 C ATOM 308 CD GLU B 21 19.747 -6.897 -16.255 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.273 -5.918 -16.868 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.879 -6.929 -15.722 1.00 0.00 O ATOM 0 H GLU B 21 19.985 -10.696 -16.000 1.00 0.00 H new ATOM 0 HA GLU B 21 17.285 -10.176 -16.768 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.020 -9.160 -17.674 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.505 -8.487 -18.243 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.844 -7.862 -15.974 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.197 -8.736 -15.282 1.00 0.00 H new ATOM 317 N LYS B 22 19.201 -11.879 -18.817 1.00 0.00 N ATOM 318 CA LYS B 22 19.202 -12.625 -20.065 1.00 0.00 C ATOM 319 C LYS B 22 18.091 -13.672 -20.042 1.00 0.00 C ATOM 320 O LYS B 22 17.501 -13.984 -21.072 1.00 0.00 O ATOM 321 CB LYS B 22 20.586 -13.266 -20.230 1.00 0.00 C ATOM 322 CG LYS B 22 21.024 -13.444 -21.686 1.00 0.00 C ATOM 323 CD LYS B 22 20.054 -14.279 -22.523 1.00 0.00 C ATOM 324 CE LYS B 22 20.697 -14.587 -23.874 1.00 0.00 C ATOM 325 NZ LYS B 22 19.794 -15.384 -24.722 1.00 0.00 N ATOM 0 H LYS B 22 20.044 -11.996 -18.254 1.00 0.00 H new ATOM 0 HA LYS B 22 19.009 -11.970 -20.915 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.323 -12.651 -19.713 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.584 -14.240 -19.741 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.134 -12.462 -22.146 1.00 0.00 H new ATOM 0 HG3 LYS B 22 22.006 -13.916 -21.705 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.810 -15.205 -22.003 1.00 0.00 H new ATOM 0 HD3 LYS B 22 19.119 -13.738 -22.666 1.00 0.00 H new ATOM 0 HE2 LYS B 22 20.949 -13.656 -24.381 1.00 0.00 H new ATOM 0 HE3 LYS B 22 21.630 -15.129 -23.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 20.256 -15.579 -25.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 19.574 -16.282 -24.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 18.914 -14.854 -24.886 1.00 0.00 H new ATOM 339 N ALA B 23 17.789 -14.225 -18.864 1.00 0.00 N ATOM 340 CA ALA B 23 16.820 -15.302 -18.757 1.00 0.00 C ATOM 341 C ALA B 23 15.424 -14.707 -18.630 1.00 0.00 C ATOM 342 O ALA B 23 14.428 -15.358 -18.924 1.00 0.00 O ATOM 343 CB ALA B 23 17.177 -16.163 -17.543 1.00 0.00 C ATOM 0 H ALA B 23 18.204 -13.941 -17.977 1.00 0.00 H new ATOM 0 HA ALA B 23 16.838 -15.933 -19.646 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.458 -16.977 -17.450 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.177 -16.576 -17.672 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.151 -15.550 -16.642 1.00 0.00 H new ATOM 349 N LEU B 24 15.376 -13.451 -18.186 1.00 0.00 N ATOM 350 CA LEU B 24 14.166 -12.715 -17.898 1.00 0.00 C ATOM 351 C LEU B 24 13.667 -12.044 -19.168 1.00 0.00 C ATOM 352 O LEU B 24 12.471 -11.817 -19.334 1.00 0.00 O ATOM 353 CB LEU B 24 14.568 -11.697 -16.826 1.00 0.00 C ATOM 354 CG LEU B 24 14.075 -12.143 -15.461 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.792 -11.382 -14.355 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.578 -11.887 -15.334 1.00 0.00 C ATOM 0 H LEU B 24 16.220 -12.905 -18.013 1.00 0.00 H new ATOM 0 HA LEU B 24 13.350 -13.346 -17.544 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.652 -11.586 -16.810 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.151 -10.720 -17.069 1.00 0.00 H new ATOM 0 HG LEU B 24 14.282 -13.209 -15.362 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.424 -11.717 -13.385 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.864 -11.569 -14.421 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.603 -10.314 -14.466 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.236 -12.211 -14.351 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.379 -10.822 -15.455 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.047 -12.445 -16.105 1.00 0.00 H new ATOM 368 N GLU B 25 14.586 -11.724 -20.076 1.00 0.00 N ATOM 369 CA GLU B 25 14.198 -11.205 -21.375 1.00 0.00 C ATOM 370 C GLU B 25 13.822 -12.349 -22.302 1.00 0.00 C ATOM 371 O GLU B 25 13.018 -12.193 -23.217 1.00 0.00 O ATOM 372 CB GLU B 25 15.374 -10.459 -22.009 1.00 0.00 C ATOM 373 CG GLU B 25 15.617 -9.163 -21.262 1.00 0.00 C ATOM 374 CD GLU B 25 16.672 -8.308 -21.957 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.876 -8.574 -21.739 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.266 -7.393 -22.707 1.00 0.00 O ATOM 0 H GLU B 25 15.592 -11.815 -19.934 1.00 0.00 H new ATOM 0 HA GLU B 25 13.350 -10.535 -21.236 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.269 -11.080 -21.981 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.163 -10.252 -23.058 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.684 -8.604 -21.188 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.938 -9.383 -20.244 1.00 0.00 H new ATOM 383 N ALA B 26 14.422 -13.509 -22.047 1.00 0.00 N ATOM 384 CA ALA B 26 14.254 -14.689 -22.873 1.00 0.00 C ATOM 385 C ALA B 26 12.971 -15.432 -22.534 1.00 0.00 C ATOM 386 O ALA B 26 12.469 -16.201 -23.354 1.00 0.00 O ATOM 387 CB ALA B 26 15.458 -15.592 -22.629 1.00 0.00 C ATOM 0 H ALA B 26 15.044 -13.652 -21.251 1.00 0.00 H new ATOM 0 HA ALA B 26 14.186 -14.395 -23.920 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.366 -16.493 -23.236 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.371 -15.063 -22.901 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.499 -15.867 -21.575 1.00 0.00 H new ATOM 393 N VAL B 27 12.442 -15.206 -21.329 1.00 0.00 N ATOM 394 CA VAL B 27 11.277 -15.922 -20.842 1.00 0.00 C ATOM 395 C VAL B 27 10.013 -15.079 -20.904 1.00 0.00 C ATOM 396 O VAL B 27 8.927 -15.595 -21.154 1.00 0.00 O ATOM 397 CB VAL B 27 11.593 -16.359 -19.425 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.527 -15.201 -18.448 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.658 -17.447 -18.928 1.00 0.00 C ATOM 0 H VAL B 27 12.814 -14.522 -20.670 1.00 0.00 H new ATOM 0 HA VAL B 27 11.073 -16.785 -21.476 1.00 0.00 H new ATOM 0 HB VAL B 27 12.609 -16.751 -19.468 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.760 -15.558 -17.445 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.249 -14.438 -18.739 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.524 -14.774 -18.457 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.929 -17.722 -17.909 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.632 -17.080 -18.944 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.741 -18.321 -19.574 1.00 0.00 H new ATOM 409 N PHE B 28 10.150 -13.776 -20.677 1.00 0.00 N ATOM 410 CA PHE B 28 9.027 -12.864 -20.816 1.00 0.00 C ATOM 411 C PHE B 28 8.961 -12.293 -22.225 1.00 0.00 C ATOM 412 O PHE B 28 7.963 -11.676 -22.599 1.00 0.00 O ATOM 413 CB PHE B 28 9.083 -11.778 -19.749 1.00 0.00 C ATOM 414 CG PHE B 28 8.800 -12.306 -18.366 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.476 -12.451 -17.923 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.860 -12.659 -17.525 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.223 -12.966 -16.646 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.608 -13.184 -16.254 1.00 0.00 C ATOM 419 CZ PHE B 28 8.288 -13.339 -15.814 1.00 0.00 C ATOM 0 H PHE B 28 11.025 -13.332 -20.397 1.00 0.00 H new ATOM 0 HA PHE B 28 8.103 -13.420 -20.659 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.069 -11.313 -19.761 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.360 -10.999 -19.991 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.655 -12.166 -18.565 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.878 -12.525 -17.859 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.205 -13.076 -16.301 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.429 -13.469 -15.613 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.090 -13.746 -14.833 1.00 0.00 H new ATOM 429 N GLY B 29 10.015 -12.493 -23.021 1.00 0.00 N ATOM 430 CA GLY B 29 10.008 -12.061 -24.413 1.00 0.00 C ATOM 431 C GLY B 29 9.170 -13.011 -25.266 1.00 0.00 C ATOM 432 O GLY B 29 8.984 -12.787 -26.461 1.00 0.00 O ATOM 0 H GLY B 29 10.877 -12.949 -22.724 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.607 -11.050 -24.484 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.029 -12.026 -24.794 1.00 0.00 H new ATOM 436 N LYS B 30 8.663 -14.078 -24.639 1.00 0.00 N ATOM 437 CA LYS B 30 7.862 -15.107 -25.274 1.00 0.00 C ATOM 438 C LYS B 30 6.414 -14.663 -25.422 1.00 0.00 C ATOM 439 O LYS B 30 5.636 -15.290 -26.139 1.00 0.00 O ATOM 440 CB LYS B 30 7.943 -16.366 -24.405 1.00 0.00 C ATOM 441 CG LYS B 30 9.403 -16.775 -24.218 1.00 0.00 C ATOM 442 CD LYS B 30 9.569 -17.947 -23.243 1.00 0.00 C ATOM 443 CE LYS B 30 8.712 -19.158 -23.608 1.00 0.00 C ATOM 444 NZ LYS B 30 9.094 -19.721 -24.919 1.00 0.00 N ATOM 0 H LYS B 30 8.809 -14.246 -23.644 1.00 0.00 H new ATOM 0 HA LYS B 30 8.244 -15.305 -26.275 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.481 -16.180 -23.435 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.386 -17.178 -24.873 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.826 -17.049 -25.185 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.972 -15.920 -23.852 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.617 -18.246 -23.219 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.309 -17.615 -22.238 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.816 -19.923 -22.839 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.662 -18.868 -23.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.503 -20.551 -25.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.954 -19.004 -25.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.094 -20.005 -24.897 1.00 0.00 H new ATOM 458 N TYR B 31 6.069 -13.576 -24.735 1.00 0.00 N ATOM 459 CA TYR B 31 4.714 -13.053 -24.700 1.00 0.00 C ATOM 460 C TYR B 31 4.588 -11.704 -25.400 1.00 0.00 C ATOM 461 O TYR B 31 3.482 -11.312 -25.767 1.00 0.00 O ATOM 462 CB TYR B 31 4.312 -12.940 -23.232 1.00 0.00 C ATOM 463 CG TYR B 31 4.451 -14.239 -22.474 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.521 -15.269 -22.667 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.520 -14.409 -21.582 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.674 -16.485 -21.986 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.672 -15.618 -20.889 1.00 0.00 C ATOM 468 CZ TYR B 31 4.759 -16.671 -21.109 1.00 0.00 C ATOM 469 OH TYR B 31 4.921 -17.867 -20.474 1.00 0.00 O ATOM 0 H TYR B 31 6.732 -13.032 -24.183 1.00 0.00 H new ATOM 0 HA TYR B 31 4.052 -13.729 -25.241 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.927 -12.179 -22.751 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.278 -12.600 -23.170 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.688 -15.127 -23.339 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.227 -13.607 -21.429 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.958 -17.280 -22.135 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.485 -15.743 -20.189 1.00 0.00 H new ATOM 0 HH TYR B 31 5.727 -17.836 -19.918 1.00 0.00 H new ATOM 479 N GLY B 32 5.702 -10.987 -25.591 1.00 0.00 N ATOM 480 CA GLY B 32 5.679 -9.676 -26.223 1.00 0.00 C ATOM 481 C GLY B 32 7.065 -9.095 -26.394 1.00 0.00 C ATOM 482 O GLY B 32 8.036 -9.582 -25.809 1.00 0.00 O ATOM 0 H GLY B 32 6.632 -11.301 -25.313 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.198 -9.754 -27.198 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.074 -8.996 -25.622 1.00 0.00 H new ATOM 486 N ARG B 33 7.156 -8.044 -27.206 1.00 0.00 N ATOM 487 CA ARG B 33 8.408 -7.368 -27.436 1.00 0.00 C ATOM 488 C ARG B 33 8.751 -6.551 -26.202 1.00 0.00 C ATOM 489 O ARG B 33 8.029 -5.628 -25.830 1.00 0.00 O ATOM 490 CB ARG B 33 8.287 -6.511 -28.692 1.00 0.00 C ATOM 491 CG ARG B 33 9.661 -6.383 -29.333 1.00 0.00 C ATOM 492 CD ARG B 33 9.549 -5.598 -30.639 1.00 0.00 C ATOM 493 NE ARG B 33 10.835 -5.564 -31.350 1.00 0.00 N ATOM 494 CZ ARG B 33 11.763 -4.614 -31.202 1.00 0.00 C ATOM 495 NH1 ARG B 33 11.579 -3.592 -30.375 1.00 0.00 N ATOM 496 NH2 ARG B 33 12.896 -4.687 -31.895 1.00 0.00 N ATOM 0 H ARG B 33 6.365 -7.648 -27.714 1.00 0.00 H new ATOM 0 HA ARG B 33 9.219 -8.076 -27.603 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.585 -6.964 -29.392 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.895 -5.526 -28.440 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.345 -5.878 -28.651 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.076 -7.372 -29.526 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.790 -6.053 -31.276 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.220 -4.581 -30.428 1.00 0.00 H new ATOM 0 HE ARG B 33 11.034 -6.321 -32.004 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.716 -3.521 -29.837 1.00 0.00 H new ATOM 0 HH12 ARG B 33 12.301 -2.878 -30.278 1.00 0.00 H new ATOM 0 HH21 ARG B 33 13.053 -5.465 -32.535 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.608 -3.965 -31.786 1.00 0.00 H new ATOM 510 N ILE B 34 9.861 -6.903 -25.572 1.00 0.00 N ATOM 511 CA ILE B 34 10.351 -6.207 -24.394 1.00 0.00 C ATOM 512 C ILE B 34 10.981 -4.876 -24.785 1.00 0.00 C ATOM 513 O ILE B 34 11.651 -4.774 -25.814 1.00 0.00 O ATOM 514 CB ILE B 34 11.339 -7.122 -23.660 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.568 -8.345 -23.153 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.017 -6.376 -22.510 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.430 -9.271 -22.301 1.00 0.00 C ATOM 0 H ILE B 34 10.449 -7.683 -25.865 1.00 0.00 H new ATOM 0 HA ILE B 34 9.526 -5.976 -23.720 1.00 0.00 H new ATOM 0 HB ILE B 34 12.129 -7.443 -24.338 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.711 -8.012 -22.568 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.176 -8.901 -24.005 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.713 -7.044 -22.003 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.560 -5.517 -22.904 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.262 -6.035 -21.802 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.833 -10.120 -21.969 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.273 -9.629 -22.892 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.801 -8.726 -21.433 1.00 0.00 H new ATOM 529 N VAL B 35 10.762 -3.855 -23.949 1.00 0.00 N ATOM 530 CA VAL B 35 11.370 -2.540 -24.128 1.00 0.00 C ATOM 531 C VAL B 35 12.387 -2.278 -23.019 1.00 0.00 C ATOM 532 O VAL B 35 13.294 -1.464 -23.195 1.00 0.00 O ATOM 533 CB VAL B 35 10.311 -1.427 -24.152 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.402 -0.683 -25.481 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.875 -1.920 -23.976 1.00 0.00 C ATOM 0 H VAL B 35 10.157 -3.921 -23.130 1.00 0.00 H new ATOM 0 HA VAL B 35 11.879 -2.534 -25.092 1.00 0.00 H new ATOM 0 HB VAL B 35 10.530 -0.783 -23.300 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.654 0.109 -25.507 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.395 -0.247 -25.587 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.222 -1.379 -26.301 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.193 -1.071 -24.005 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.627 -2.613 -24.780 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.780 -2.429 -23.017 1.00 0.00 H new ATOM 545 N GLU B 36 12.238 -2.961 -21.880 1.00 0.00 N ATOM 546 CA GLU B 36 13.151 -2.840 -20.754 1.00 0.00 C ATOM 547 C GLU B 36 13.001 -4.047 -19.836 1.00 0.00 C ATOM 548 O GLU B 36 11.922 -4.628 -19.750 1.00 0.00 O ATOM 549 CB GLU B 36 12.831 -1.547 -20.002 1.00 0.00 C ATOM 550 CG GLU B 36 13.750 -1.349 -18.798 1.00 0.00 C ATOM 551 CD GLU B 36 13.529 0.025 -18.170 1.00 0.00 C ATOM 552 OE1 GLU B 36 12.616 0.138 -17.319 1.00 0.00 O ATOM 553 OE2 GLU B 36 14.279 0.957 -18.543 1.00 0.00 O ATOM 0 H GLU B 36 11.473 -3.616 -21.719 1.00 0.00 H new ATOM 0 HA GLU B 36 14.182 -2.807 -21.107 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.931 -0.699 -20.679 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.794 -1.568 -19.668 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.561 -2.127 -18.058 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.790 -1.450 -19.108 1.00 0.00 H new ATOM 560 N VAL B 37 14.076 -4.429 -19.143 1.00 0.00 N ATOM 561 CA VAL B 37 14.017 -5.450 -18.110 1.00 0.00 C ATOM 562 C VAL B 37 14.838 -5.012 -16.907 1.00 0.00 C ATOM 563 O VAL B 37 15.876 -4.371 -17.044 1.00 0.00 O ATOM 564 CB VAL B 37 14.460 -6.826 -18.639 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.091 -7.706 -17.560 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.231 -7.582 -19.142 1.00 0.00 C ATOM 0 H VAL B 37 15.007 -4.037 -19.286 1.00 0.00 H new ATOM 0 HA VAL B 37 12.980 -5.565 -17.795 1.00 0.00 H new ATOM 0 HB VAL B 37 15.196 -6.635 -19.420 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.382 -8.662 -17.995 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.972 -7.209 -17.154 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.369 -7.876 -16.761 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.534 -8.559 -19.519 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.524 -7.713 -18.323 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.757 -7.015 -19.943 1.00 0.00 H new ATOM 576 N LEU B 38 14.340 -5.380 -15.728 1.00 0.00 N ATOM 577 CA LEU B 38 15.022 -5.180 -14.462 1.00 0.00 C ATOM 578 C LEU B 38 15.306 -6.545 -13.867 1.00 0.00 C ATOM 579 O LEU B 38 14.605 -7.514 -14.144 1.00 0.00 O ATOM 580 CB LEU B 38 14.110 -4.401 -13.526 1.00 0.00 C ATOM 581 CG LEU B 38 14.375 -2.895 -13.501 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.364 -2.226 -12.578 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.759 -2.556 -12.960 1.00 0.00 C ATOM 0 H LEU B 38 13.432 -5.834 -15.630 1.00 0.00 H new ATOM 0 HA LEU B 38 15.950 -4.626 -14.605 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.075 -4.571 -13.821 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.223 -4.795 -12.516 1.00 0.00 H new ATOM 0 HG LEU B 38 14.297 -2.543 -14.530 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.547 -1.152 -12.555 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.355 -2.414 -12.946 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.465 -2.633 -11.572 1.00 0.00 H new ATOM 0 HD21 LEU B 38 15.896 -1.475 -12.964 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.853 -2.930 -11.941 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.519 -3.020 -13.588 1.00 0.00 H new ATOM 595 N LEU B 39 16.337 -6.611 -13.037 1.00 0.00 N ATOM 596 CA LEU B 39 16.628 -7.790 -12.266 1.00 0.00 C ATOM 597 C LEU B 39 17.304 -7.303 -10.999 1.00 0.00 C ATOM 598 O LEU B 39 18.377 -6.702 -11.059 1.00 0.00 O ATOM 599 CB LEU B 39 17.511 -8.710 -13.109 1.00 0.00 C ATOM 600 CG LEU B 39 17.979 -10.006 -12.441 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.253 -9.796 -11.625 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.921 -10.653 -11.555 1.00 0.00 C ATOM 0 H LEU B 39 16.990 -5.843 -12.886 1.00 0.00 H new ATOM 0 HA LEU B 39 15.745 -8.369 -11.995 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.965 -8.971 -14.015 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.392 -8.148 -13.419 1.00 0.00 H new ATOM 0 HG LEU B 39 18.181 -10.687 -13.268 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.552 -10.739 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU B 39 20.050 -9.442 -12.279 1.00 0.00 H new ATOM 0 HD13 LEU B 39 19.068 -9.057 -10.845 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.323 -11.566 -11.116 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.639 -9.962 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU B 39 16.043 -10.895 -12.154 1.00 0.00 H new ATOM 614 N MET B 40 16.678 -7.556 -9.852 1.00 0.00 N ATOM 615 CA MET B 40 17.144 -6.960 -8.619 1.00 0.00 C ATOM 616 C MET B 40 18.114 -7.900 -7.930 1.00 0.00 C ATOM 617 O MET B 40 17.877 -9.104 -7.881 1.00 0.00 O ATOM 618 CB MET B 40 15.968 -6.580 -7.715 1.00 0.00 C ATOM 619 CG MET B 40 14.807 -5.904 -8.456 1.00 0.00 C ATOM 620 SD MET B 40 15.216 -4.929 -9.932 1.00 0.00 S ATOM 621 CE MET B 40 16.348 -3.687 -9.259 1.00 0.00 C ATOM 0 H MET B 40 15.861 -8.160 -9.758 1.00 0.00 H new ATOM 0 HA MET B 40 17.675 -6.036 -8.846 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.597 -7.478 -7.221 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.325 -5.911 -6.933 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.098 -6.678 -8.749 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.293 -5.250 -7.752 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.031 -2.694 -9.579 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.338 -3.738 -8.170 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.357 -3.880 -9.622 1.00 0.00 H new ATOM 631 N LYS B 41 19.206 -7.357 -7.388 1.00 0.00 N ATOM 632 CA LYS B 41 20.177 -8.138 -6.640 1.00 0.00 C ATOM 633 C LYS B 41 20.767 -7.328 -5.495 1.00 0.00 C ATOM 634 O LYS B 41 20.850 -6.101 -5.562 1.00 0.00 O ATOM 635 CB LYS B 41 21.276 -8.723 -7.540 1.00 0.00 C ATOM 636 CG LYS B 41 21.420 -7.992 -8.872 1.00 0.00 C ATOM 637 CD LYS B 41 22.632 -8.529 -9.633 1.00 0.00 C ATOM 638 CE LYS B 41 22.728 -7.832 -10.990 1.00 0.00 C ATOM 639 NZ LYS B 41 23.885 -8.326 -11.757 1.00 0.00 N ATOM 0 H LYS B 41 19.436 -6.366 -7.458 1.00 0.00 H new ATOM 0 HA LYS B 41 19.642 -8.986 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.227 -8.687 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.057 -9.773 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.517 -8.124 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.534 -6.922 -8.699 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.542 -8.357 -9.058 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.541 -9.606 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.812 -8.003 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.817 -6.755 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.928 -7.837 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.759 -8.141 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.786 -9.349 -11.914 1.00 0.00 H new ATOM 765 N ARG B 49 17.656 -10.583 -5.578 1.00 0.00 N ATOM 766 CA ARG B 49 16.802 -10.307 -4.428 1.00 0.00 C ATOM 767 C ARG B 49 15.652 -11.312 -4.385 1.00 0.00 C ATOM 768 O ARG B 49 14.895 -11.353 -3.419 1.00 0.00 O ATOM 769 CB ARG B 49 16.210 -8.903 -4.567 1.00 0.00 C ATOM 770 CG ARG B 49 17.241 -7.776 -4.557 1.00 0.00 C ATOM 771 CD ARG B 49 17.663 -7.365 -3.152 1.00 0.00 C ATOM 772 NE ARG B 49 16.554 -6.744 -2.414 1.00 0.00 N ATOM 773 CZ ARG B 49 16.586 -6.468 -1.107 1.00 0.00 C ATOM 774 NH1 ARG B 49 17.662 -6.748 -0.374 1.00 0.00 N ATOM 775 NH2 ARG B 49 15.533 -5.904 -0.525 1.00 0.00 N ATOM 0 HA ARG B 49 17.395 -10.383 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.644 -8.852 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.503 -8.739 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.121 -8.092 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.829 -6.910 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG B 49 18.018 -8.240 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.497 -6.666 -3.212 1.00 0.00 H new ATOM 0 HE ARG B 49 15.707 -6.509 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG B 49 18.477 -7.179 -0.809 1.00 0.00 H new ATOM 0 HH12 ARG B 49 17.671 -6.531 0.623 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.703 -5.683 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG B 49 15.554 -5.692 0.473 1.00 0.00 H new ATOM 789 N GLY B 50 15.526 -12.115 -5.444 1.00 0.00 N ATOM 790 CA GLY B 50 14.433 -13.058 -5.611 1.00 0.00 C ATOM 791 C GLY B 50 13.262 -12.410 -6.342 1.00 0.00 C ATOM 792 O GLY B 50 12.245 -13.067 -6.554 1.00 0.00 O ATOM 0 H GLY B 50 16.192 -12.124 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.780 -13.927 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.104 -13.416 -4.635 1.00 0.00 H new ATOM 796 N PHE B 51 13.381 -11.138 -6.738 1.00 0.00 N ATOM 797 CA PHE B 51 12.344 -10.484 -7.524 1.00 0.00 C ATOM 798 C PHE B 51 12.956 -9.596 -8.607 1.00 0.00 C ATOM 799 O PHE B 51 14.126 -9.222 -8.528 1.00 0.00 O ATOM 800 CB PHE B 51 11.401 -9.713 -6.603 1.00 0.00 C ATOM 801 CG PHE B 51 12.017 -8.526 -5.909 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.727 -8.690 -4.713 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.870 -7.248 -6.462 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.275 -7.576 -4.060 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.412 -6.138 -5.808 1.00 0.00 C ATOM 806 CZ PHE B 51 13.122 -6.297 -4.610 1.00 0.00 C ATOM 0 H PHE B 51 14.185 -10.547 -6.525 1.00 0.00 H new ATOM 0 HA PHE B 51 11.755 -11.242 -8.041 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.547 -9.370 -7.187 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.016 -10.397 -5.847 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.853 -9.677 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE B 51 11.338 -7.120 -7.393 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.815 -7.704 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE B 51 12.283 -5.152 -6.228 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.549 -5.438 -4.114 1.00 0.00 H new ATOM 816 N ALA B 52 12.154 -9.267 -9.623 1.00 0.00 N ATOM 817 CA ALA B 52 12.592 -8.494 -10.772 1.00 0.00 C ATOM 818 C ALA B 52 11.413 -7.754 -11.403 1.00 0.00 C ATOM 819 O ALA B 52 10.295 -7.819 -10.891 1.00 0.00 O ATOM 820 CB ALA B 52 13.212 -9.462 -11.776 1.00 0.00 C ATOM 0 H ALA B 52 11.171 -9.537 -9.665 1.00 0.00 H new ATOM 0 HA ALA B 52 13.323 -7.746 -10.465 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.551 -8.910 -12.652 1.00 0.00 H new ATOM 0 HB2 ALA B 52 14.060 -9.969 -11.316 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.468 -10.199 -12.078 1.00 0.00 H new ATOM 826 N PHE B 53 11.654 -7.050 -12.512 1.00 0.00 N ATOM 827 CA PHE B 53 10.616 -6.335 -13.236 1.00 0.00 C ATOM 828 C PHE B 53 10.883 -6.430 -14.739 1.00 0.00 C ATOM 829 O PHE B 53 11.991 -6.759 -15.158 1.00 0.00 O ATOM 830 CB PHE B 53 10.556 -4.866 -12.795 1.00 0.00 C ATOM 831 CG PHE B 53 10.303 -4.638 -11.329 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.332 -4.845 -10.407 1.00 0.00 C ATOM 833 CD2 PHE B 53 9.044 -4.207 -10.890 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.102 -4.646 -9.040 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.812 -4.004 -9.525 1.00 0.00 C ATOM 836 CZ PHE B 53 9.841 -4.227 -8.597 1.00 0.00 C ATOM 0 H PHE B 53 12.581 -6.964 -12.929 1.00 0.00 H new ATOM 0 HA PHE B 53 9.652 -6.792 -13.012 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.498 -4.386 -13.062 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.771 -4.366 -13.363 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.307 -5.159 -10.749 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.253 -4.032 -11.605 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.896 -4.815 -8.328 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.841 -3.676 -9.186 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.661 -4.076 -7.543 1.00 0.00 H new ATOM 846 N VAL B 54 9.872 -6.145 -15.559 1.00 0.00 N ATOM 847 CA VAL B 54 10.016 -6.147 -17.010 1.00 0.00 C ATOM 848 C VAL B 54 8.988 -5.218 -17.631 1.00 0.00 C ATOM 849 O VAL B 54 7.874 -5.124 -17.128 1.00 0.00 O ATOM 850 CB VAL B 54 9.849 -7.566 -17.565 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.593 -8.242 -17.090 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.865 -7.594 -19.091 1.00 0.00 C ATOM 0 H VAL B 54 8.934 -5.907 -15.235 1.00 0.00 H new ATOM 0 HA VAL B 54 11.016 -5.794 -17.263 1.00 0.00 H new ATOM 0 HB VAL B 54 10.708 -8.115 -17.179 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.534 -9.243 -17.518 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.607 -8.313 -16.002 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.726 -7.661 -17.404 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.744 -8.620 -19.437 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.048 -6.982 -19.475 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.815 -7.199 -19.452 1.00 0.00 H new ATOM 862 N THR B 55 9.358 -4.540 -18.719 1.00 0.00 N ATOM 863 CA THR B 55 8.445 -3.668 -19.439 1.00 0.00 C ATOM 864 C THR B 55 8.219 -4.190 -20.854 1.00 0.00 C ATOM 865 O THR B 55 9.165 -4.358 -21.621 1.00 0.00 O ATOM 866 CB THR B 55 8.970 -2.232 -19.474 1.00 0.00 C ATOM 867 OG1 THR B 55 9.245 -1.795 -18.161 1.00 0.00 O ATOM 868 CG2 THR B 55 7.912 -1.313 -20.084 1.00 0.00 C ATOM 0 H THR B 55 10.295 -4.583 -19.119 1.00 0.00 H new ATOM 0 HA THR B 55 7.491 -3.664 -18.911 1.00 0.00 H new ATOM 0 HB THR B 55 9.880 -2.202 -20.074 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.583 -0.875 -18.186 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.288 -0.290 -20.108 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.687 -1.641 -21.099 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.005 -1.352 -19.481 1.00 0.00 H new ATOM 876 N PHE B 56 6.951 -4.441 -21.182 1.00 0.00 N ATOM 877 CA PHE B 56 6.523 -4.877 -22.499 1.00 0.00 C ATOM 878 C PHE B 56 6.141 -3.694 -23.384 1.00 0.00 C ATOM 879 O PHE B 56 5.787 -2.628 -22.881 1.00 0.00 O ATOM 880 CB PHE B 56 5.321 -5.799 -22.339 1.00 0.00 C ATOM 881 CG PHE B 56 5.649 -7.167 -21.796 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.166 -7.344 -20.501 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.427 -8.277 -22.618 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.461 -8.632 -20.035 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.703 -9.559 -22.143 1.00 0.00 C ATOM 886 CZ PHE B 56 6.204 -9.744 -20.849 1.00 0.00 C ATOM 0 H PHE B 56 6.181 -4.343 -20.520 1.00 0.00 H new ATOM 0 HA PHE B 56 7.350 -5.400 -22.979 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.599 -5.322 -21.676 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.836 -5.914 -23.308 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.336 -6.488 -19.865 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.043 -8.142 -23.618 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.885 -8.768 -19.051 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.529 -10.415 -22.778 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.392 -10.741 -20.479 1.00 0.00 H new ATOM 896 N GLU B 57 6.204 -3.882 -24.707 1.00 0.00 N ATOM 897 CA GLU B 57 5.758 -2.884 -25.659 1.00 0.00 C ATOM 898 C GLU B 57 4.232 -2.816 -25.710 1.00 0.00 C ATOM 899 O GLU B 57 3.688 -1.791 -26.115 1.00 0.00 O ATOM 900 CB GLU B 57 6.309 -3.238 -27.039 1.00 0.00 C ATOM 901 CG GLU B 57 7.734 -2.717 -27.220 1.00 0.00 C ATOM 902 CD GLU B 57 8.200 -2.778 -28.676 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.331 -2.801 -29.579 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.434 -2.796 -28.871 1.00 0.00 O ATOM 0 H GLU B 57 6.567 -4.733 -25.138 1.00 0.00 H new ATOM 0 HA GLU B 57 6.126 -1.907 -25.347 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.296 -4.320 -27.171 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.664 -2.815 -27.809 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.788 -1.687 -26.867 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.413 -3.302 -26.600 1.00 0.00 H new ATOM 911 N SER B 58 3.537 -3.885 -25.305 1.00 0.00 N ATOM 912 CA SER B 58 2.084 -3.865 -25.226 1.00 0.00 C ATOM 913 C SER B 58 1.651 -4.176 -23.802 1.00 0.00 C ATOM 914 O SER B 58 2.249 -5.027 -23.145 1.00 0.00 O ATOM 915 CB SER B 58 1.502 -4.866 -26.220 1.00 0.00 C ATOM 916 OG SER B 58 0.115 -5.009 -26.011 1.00 0.00 O ATOM 0 H SER B 58 3.962 -4.770 -25.029 1.00 0.00 H new ATOM 0 HA SER B 58 1.708 -2.876 -25.487 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.691 -4.529 -27.239 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.996 -5.831 -26.107 1.00 0.00 H new ATOM 0 HG SER B 58 -0.248 -5.652 -26.655 1.00 0.00 H new ATOM 922 N PRO B 59 0.610 -3.494 -23.309 1.00 0.00 N ATOM 923 CA PRO B 59 0.126 -3.672 -21.960 1.00 0.00 C ATOM 924 C PRO B 59 -0.632 -4.984 -21.845 1.00 0.00 C ATOM 925 O PRO B 59 -1.000 -5.367 -20.741 1.00 0.00 O ATOM 926 CB PRO B 59 -0.818 -2.499 -21.727 1.00 0.00 C ATOM 927 CG PRO B 59 -1.416 -2.300 -23.113 1.00 0.00 C ATOM 928 CD PRO B 59 -0.192 -2.501 -24.006 1.00 0.00 C ATOM 0 HA PRO B 59 0.936 -3.703 -21.231 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.580 -2.729 -20.982 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.289 -1.612 -21.379 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.203 -3.023 -23.328 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.852 -1.308 -23.233 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.478 -2.848 -24.999 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.358 -1.570 -24.140 1.00 0.00 H new ATOM 936 N ALA B 60 -0.869 -5.668 -22.971 1.00 0.00 N ATOM 937 CA ALA B 60 -1.640 -6.897 -22.983 1.00 0.00 C ATOM 938 C ALA B 60 -0.753 -8.084 -23.343 1.00 0.00 C ATOM 939 O ALA B 60 -1.139 -9.229 -23.123 1.00 0.00 O ATOM 940 CB ALA B 60 -2.831 -6.739 -23.922 1.00 0.00 C ATOM 0 H ALA B 60 -0.530 -5.380 -23.889 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.032 -7.100 -21.987 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.411 -7.662 -23.932 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.460 -5.918 -23.577 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.474 -6.524 -24.929 1.00 0.00 H new ATOM 946 N ASP B 61 0.437 -7.822 -23.892 1.00 0.00 N ATOM 947 CA ASP B 61 1.427 -8.869 -24.046 1.00 0.00 C ATOM 948 C ASP B 61 1.954 -9.196 -22.653 1.00 0.00 C ATOM 949 O ASP B 61 2.372 -10.318 -22.386 1.00 0.00 O ATOM 950 CB ASP B 61 2.569 -8.375 -24.929 1.00 0.00 C ATOM 951 CG ASP B 61 2.192 -8.285 -26.411 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.053 -8.669 -26.760 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.060 -7.828 -27.188 1.00 0.00 O ATOM 0 H ASP B 61 0.727 -6.904 -24.230 1.00 0.00 H new ATOM 0 HA ASP B 61 0.991 -9.752 -24.514 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.889 -7.392 -24.582 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.421 -9.045 -24.818 1.00 0.00 H new ATOM 958 N ALA B 62 1.925 -8.200 -21.763 1.00 0.00 N ATOM 959 CA ALA B 62 2.292 -8.378 -20.376 1.00 0.00 C ATOM 960 C ALA B 62 1.168 -9.079 -19.616 1.00 0.00 C ATOM 961 O ALA B 62 1.434 -9.788 -18.651 1.00 0.00 O ATOM 962 CB ALA B 62 2.582 -7.013 -19.768 1.00 0.00 C ATOM 0 H ALA B 62 1.644 -7.248 -21.996 1.00 0.00 H new ATOM 0 HA ALA B 62 3.182 -9.003 -20.307 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.860 -7.133 -18.721 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.401 -6.540 -20.309 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.692 -6.387 -19.838 1.00 0.00 H new ATOM 968 N LYS B 63 -0.089 -8.891 -20.040 1.00 0.00 N ATOM 969 CA LYS B 63 -1.211 -9.600 -19.439 1.00 0.00 C ATOM 970 C LYS B 63 -1.134 -11.065 -19.817 1.00 0.00 C ATOM 971 O LYS B 63 -1.450 -11.929 -19.006 1.00 0.00 O ATOM 972 CB LYS B 63 -2.538 -9.031 -19.945 1.00 0.00 C ATOM 973 CG LYS B 63 -2.796 -7.636 -19.371 1.00 0.00 C ATOM 974 CD LYS B 63 -4.029 -6.989 -20.003 1.00 0.00 C ATOM 975 CE LYS B 63 -5.270 -7.847 -19.744 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.472 -7.245 -20.351 1.00 0.00 N ATOM 0 H LYS B 63 -0.347 -8.255 -20.794 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.160 -9.482 -18.357 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.524 -8.982 -21.034 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.353 -9.699 -19.666 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.933 -7.705 -18.292 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.924 -7.004 -19.542 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.176 -5.991 -19.591 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.877 -6.872 -21.076 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.116 -8.846 -20.151 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.419 -7.960 -18.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.297 -7.848 -20.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.631 -6.301 -19.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.337 -7.160 -21.379 1.00 0.00 H new ATOM 990 N ASP B 64 -0.712 -11.352 -21.048 1.00 0.00 N ATOM 991 CA ASP B 64 -0.638 -12.717 -21.527 1.00 0.00 C ATOM 992 C ASP B 64 0.489 -13.459 -20.825 1.00 0.00 C ATOM 993 O ASP B 64 0.407 -14.666 -20.613 1.00 0.00 O ATOM 994 CB ASP B 64 -0.400 -12.674 -23.032 1.00 0.00 C ATOM 995 CG ASP B 64 -0.617 -14.044 -23.668 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.747 -14.569 -23.540 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.348 -14.551 -24.279 1.00 0.00 O ATOM 0 H ASP B 64 -0.417 -10.650 -21.727 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.566 -13.247 -21.313 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.074 -11.948 -23.488 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.616 -12.335 -23.232 1.00 0.00 H new ATOM 1002 N ALA B 65 1.542 -12.727 -20.455 1.00 0.00 N ATOM 1003 CA ALA B 65 2.620 -13.291 -19.664 1.00 0.00 C ATOM 1004 C ALA B 65 2.165 -13.447 -18.216 1.00 0.00 C ATOM 1005 O ALA B 65 2.372 -14.488 -17.605 1.00 0.00 O ATOM 1006 CB ALA B 65 3.843 -12.378 -19.735 1.00 0.00 C ATOM 0 H ALA B 65 1.664 -11.743 -20.694 1.00 0.00 H new ATOM 0 HA ALA B 65 2.887 -14.271 -20.060 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.650 -12.805 -19.140 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.167 -12.284 -20.771 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.585 -11.394 -19.344 1.00 0.00 H new ATOM 1012 N ALA B 66 1.537 -12.412 -17.660 1.00 0.00 N ATOM 1013 CA ALA B 66 1.107 -12.416 -16.272 1.00 0.00 C ATOM 1014 C ALA B 66 -0.033 -13.412 -16.049 1.00 0.00 C ATOM 1015 O ALA B 66 -0.402 -13.687 -14.907 1.00 0.00 O ATOM 1016 CB ALA B 66 0.700 -10.986 -15.899 1.00 0.00 C ATOM 0 H ALA B 66 1.315 -11.552 -18.161 1.00 0.00 H new ATOM 0 HA ALA B 66 1.923 -12.741 -15.626 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.372 -10.960 -14.860 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.553 -10.320 -16.027 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.115 -10.660 -16.545 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.587 -13.950 -17.139 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.605 -14.995 -17.116 1.00 0.00 C ATOM 1024 C ARG B 67 -1.032 -16.377 -17.431 1.00 0.00 C ATOM 1025 O ARG B 67 -1.800 -17.326 -17.591 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.703 -14.627 -18.114 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.520 -13.445 -17.581 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.445 -12.858 -18.648 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.394 -13.855 -19.161 1.00 0.00 N ATOM 1030 CZ ARG B 67 -5.289 -14.472 -20.342 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -4.278 -14.207 -21.163 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -6.201 -15.366 -20.706 1.00 0.00 N ATOM 0 H ARG B 67 -0.331 -13.661 -18.083 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.014 -15.056 -16.107 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.260 -14.369 -19.076 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.355 -15.484 -18.283 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.113 -13.771 -16.727 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.843 -12.670 -17.222 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.995 -12.016 -18.228 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.847 -12.469 -19.472 1.00 0.00 H new ATOM 0 HE ARG B 67 -6.192 -14.094 -18.572 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -3.569 -13.525 -20.895 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -4.211 -14.686 -22.061 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -6.981 -15.581 -20.085 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -6.122 -15.837 -21.607 1.00 0.00 H new ATOM 1046 N ASP B 68 0.294 -16.519 -17.521 1.00 0.00 N ATOM 1047 CA ASP B 68 0.925 -17.768 -17.905 1.00 0.00 C ATOM 1048 C ASP B 68 2.046 -18.081 -16.941 1.00 0.00 C ATOM 1049 O ASP B 68 2.143 -19.168 -16.377 1.00 0.00 O ATOM 1050 CB ASP B 68 1.563 -17.543 -19.269 1.00 0.00 C ATOM 1051 CG ASP B 68 0.767 -18.191 -20.397 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.377 -17.748 -20.636 1.00 0.00 O ATOM 1053 OD2 ASP B 68 1.312 -19.134 -21.014 1.00 0.00 O ATOM 0 H ASP B 68 0.954 -15.765 -17.328 1.00 0.00 H new ATOM 0 HA ASP B 68 0.193 -18.576 -17.912 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.647 -16.472 -19.456 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.576 -17.946 -19.264 1.00 0.00 H new ATOM 1058 N MET B 69 2.893 -17.072 -16.776 1.00 0.00 N ATOM 1059 CA MET B 69 4.082 -17.105 -15.972 1.00 0.00 C ATOM 1060 C MET B 69 3.768 -16.949 -14.488 1.00 0.00 C ATOM 1061 O MET B 69 4.608 -17.271 -13.649 1.00 0.00 O ATOM 1062 CB MET B 69 4.935 -15.945 -16.467 1.00 0.00 C ATOM 1063 CG MET B 69 5.712 -16.265 -17.737 1.00 0.00 C ATOM 1064 SD MET B 69 6.836 -17.683 -17.626 1.00 0.00 S ATOM 1065 CE MET B 69 7.653 -17.318 -16.055 1.00 0.00 C ATOM 0 H MET B 69 2.751 -16.168 -17.227 1.00 0.00 H new ATOM 0 HA MET B 69 4.594 -18.063 -16.067 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.293 -15.084 -16.650 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.636 -15.659 -15.683 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.000 -16.450 -18.541 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.291 -15.386 -18.020 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.540 -17.943 -15.952 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.945 -16.268 -16.032 1.00 0.00 H new ATOM 0 HE3 MET B 69 6.968 -17.522 -15.232 1.00 0.00 H new ATOM 1075 N ASN B 70 2.572 -16.464 -14.154 1.00 0.00 N ATOM 1076 CA ASN B 70 2.197 -16.304 -12.764 1.00 0.00 C ATOM 1077 C ASN B 70 1.919 -17.676 -12.159 1.00 0.00 C ATOM 1078 O ASN B 70 1.020 -18.388 -12.603 1.00 0.00 O ATOM 1079 CB ASN B 70 0.985 -15.374 -12.669 1.00 0.00 C ATOM 1080 CG ASN B 70 0.593 -15.082 -11.228 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.358 -15.335 -10.303 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.607 -14.545 -11.032 1.00 0.00 N ATOM 0 H ASN B 70 1.858 -16.180 -14.825 1.00 0.00 H new ATOM 0 HA ASN B 70 3.008 -15.848 -12.196 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.208 -14.437 -13.180 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.141 -15.827 -13.188 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.920 -14.329 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.214 -14.349 -11.828 1.00 0.00 H new ATOM 1089 N GLY B 71 2.702 -18.044 -11.143 1.00 0.00 N ATOM 1090 CA GLY B 71 2.560 -19.318 -10.450 1.00 0.00 C ATOM 1091 C GLY B 71 3.462 -20.407 -11.030 1.00 0.00 C ATOM 1092 O GLY B 71 3.549 -21.485 -10.445 1.00 0.00 O ATOM 0 H GLY B 71 3.455 -17.461 -10.779 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.795 -19.181 -9.394 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.521 -19.644 -10.506 1.00 0.00 H new ATOM 1096 N LYS B 72 4.134 -20.152 -12.161 1.00 0.00 N ATOM 1097 CA LYS B 72 5.079 -21.098 -12.726 1.00 0.00 C ATOM 1098 C LYS B 72 6.473 -20.868 -12.188 1.00 0.00 C ATOM 1099 O LYS B 72 6.698 -19.954 -11.406 1.00 0.00 O ATOM 1100 CB LYS B 72 5.025 -21.093 -14.242 1.00 0.00 C ATOM 1101 CG LYS B 72 6.032 -20.197 -14.953 1.00 0.00 C ATOM 1102 CD LYS B 72 6.220 -20.763 -16.353 1.00 0.00 C ATOM 1103 CE LYS B 72 4.917 -20.648 -17.141 1.00 0.00 C ATOM 1104 NZ LYS B 72 5.103 -21.018 -18.555 1.00 0.00 N ATOM 0 H LYS B 72 4.033 -19.291 -12.698 1.00 0.00 H new ATOM 0 HA LYS B 72 4.787 -22.100 -12.410 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.170 -22.115 -14.592 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.023 -20.790 -14.547 1.00 0.00 H new ATOM 0 HG2 LYS B 72 5.670 -19.170 -14.998 1.00 0.00 H new ATOM 0 HG3 LYS B 72 6.979 -20.178 -14.414 1.00 0.00 H new ATOM 0 HD2 LYS B 72 7.015 -20.224 -16.868 1.00 0.00 H new ATOM 0 HD3 LYS B 72 6.528 -21.807 -16.294 1.00 0.00 H new ATOM 0 HE2 LYS B 72 4.162 -21.293 -16.692 1.00 0.00 H new ATOM 0 HE3 LYS B 72 4.542 -19.626 -17.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 4.198 -20.928 -19.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 5.806 -20.386 -18.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 5.437 -22.001 -18.616 1.00 0.00 H new ATOM 1118 N SER B 73 7.406 -21.707 -12.616 1.00 0.00 N ATOM 1119 CA SER B 73 8.784 -21.645 -12.160 1.00 0.00 C ATOM 1120 C SER B 73 9.680 -21.060 -13.237 1.00 0.00 C ATOM 1121 O SER B 73 9.440 -21.255 -14.427 1.00 0.00 O ATOM 1122 CB SER B 73 9.210 -23.051 -11.760 1.00 0.00 C ATOM 1123 OG SER B 73 10.562 -23.062 -11.365 1.00 0.00 O ATOM 0 H SER B 73 7.226 -22.451 -13.291 1.00 0.00 H new ATOM 0 HA SER B 73 8.873 -20.986 -11.297 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.583 -23.409 -10.943 1.00 0.00 H new ATOM 0 HB3 SER B 73 9.064 -23.734 -12.597 1.00 0.00 H new ATOM 0 HG SER B 73 10.865 -23.988 -11.263 1.00 0.00 H new ATOM 1129 N LEU B 74 10.719 -20.338 -12.805 1.00 0.00 N ATOM 1130 CA LEU B 74 11.611 -19.674 -13.744 1.00 0.00 C ATOM 1131 C LEU B 74 12.817 -20.546 -14.041 1.00 0.00 C ATOM 1132 O LEU B 74 13.015 -21.001 -15.165 1.00 0.00 O ATOM 1133 CB LEU B 74 12.054 -18.312 -13.192 1.00 0.00 C ATOM 1134 CG LEU B 74 12.427 -17.304 -14.281 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.516 -17.793 -15.235 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.173 -16.966 -15.076 1.00 0.00 C ATOM 0 H LEU B 74 10.956 -20.203 -11.822 1.00 0.00 H new ATOM 0 HA LEU B 74 11.069 -19.509 -14.675 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.251 -17.897 -12.584 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.910 -18.457 -12.533 1.00 0.00 H new ATOM 0 HG LEU B 74 12.837 -16.428 -13.778 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.723 -17.022 -15.977 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.424 -18.007 -14.671 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.179 -18.699 -15.738 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.420 -16.248 -15.858 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.774 -17.873 -15.530 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.425 -16.535 -14.410 1.00 0.00 H new ATOM 1148 N ASP B 75 13.615 -20.763 -13.001 1.00 0.00 N ATOM 1149 CA ASP B 75 14.857 -21.500 -13.093 1.00 0.00 C ATOM 1150 C ASP B 75 14.855 -22.674 -12.132 1.00 0.00 C ATOM 1151 O ASP B 75 15.850 -23.385 -11.996 1.00 0.00 O ATOM 1152 CB ASP B 75 16.006 -20.554 -12.772 1.00 0.00 C ATOM 1153 CG ASP B 75 17.334 -21.056 -13.337 1.00 0.00 C ATOM 1154 OD1 ASP B 75 17.343 -21.485 -14.512 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.333 -21.005 -12.590 1.00 0.00 O ATOM 0 H ASP B 75 13.409 -20.425 -12.061 1.00 0.00 H new ATOM 0 HA ASP B 75 14.974 -21.896 -14.102 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.788 -19.567 -13.180 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.091 -20.440 -11.691 1.00 0.00 H new ATOM 1160 N GLY B 76 13.719 -22.859 -11.468 1.00 0.00 N ATOM 1161 CA GLY B 76 13.569 -23.903 -10.486 1.00 0.00 C ATOM 1162 C GLY B 76 12.729 -23.433 -9.306 1.00 0.00 C ATOM 1163 O GLY B 76 12.319 -24.246 -8.476 1.00 0.00 O ATOM 0 H GLY B 76 12.885 -22.287 -11.601 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.100 -24.773 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.551 -24.218 -10.134 1.00 0.00 H new ATOM 1167 N LYS B 77 12.474 -22.122 -9.238 1.00 0.00 N ATOM 1168 CA LYS B 77 11.705 -21.503 -8.175 1.00 0.00 C ATOM 1169 C LYS B 77 10.426 -20.907 -8.743 1.00 0.00 C ATOM 1170 O LYS B 77 10.464 -20.226 -9.767 1.00 0.00 O ATOM 1171 CB LYS B 77 12.555 -20.454 -7.453 1.00 0.00 C ATOM 1172 CG LYS B 77 13.893 -21.044 -6.994 1.00 0.00 C ATOM 1173 CD LYS B 77 13.724 -22.230 -6.044 1.00 0.00 C ATOM 1174 CE LYS B 77 15.057 -22.966 -5.927 1.00 0.00 C ATOM 1175 NZ LYS B 77 14.959 -24.095 -4.982 1.00 0.00 N ATOM 0 H LYS B 77 12.806 -21.457 -9.937 1.00 0.00 H new ATOM 0 HA LYS B 77 11.422 -22.256 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.736 -19.609 -8.117 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.009 -20.070 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.463 -21.362 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.476 -20.268 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.398 -21.884 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS B 77 12.953 -22.904 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.360 -23.334 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.830 -22.274 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 15.878 -24.578 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 14.692 -23.739 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.237 -24.765 -5.316 1.00 0.00 H new ATOM 1189 N ALA B 78 9.302 -21.165 -8.075 1.00 0.00 N ATOM 1190 CA ALA B 78 8.000 -20.717 -8.539 1.00 0.00 C ATOM 1191 C ALA B 78 7.833 -19.219 -8.291 1.00 0.00 C ATOM 1192 O ALA B 78 8.186 -18.723 -7.220 1.00 0.00 O ATOM 1193 CB ALA B 78 6.908 -21.534 -7.862 1.00 0.00 C ATOM 0 H ALA B 78 9.274 -21.689 -7.200 1.00 0.00 H new ATOM 0 HA ALA B 78 7.919 -20.875 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA B 78 5.932 -21.197 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.037 -22.588 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA B 78 6.972 -21.403 -6.782 1.00 0.00 H new ATOM 1199 N ILE B 79 7.297 -18.508 -9.286 1.00 0.00 N ATOM 1200 CA ILE B 79 7.213 -17.062 -9.250 1.00 0.00 C ATOM 1201 C ILE B 79 5.788 -16.522 -9.158 1.00 0.00 C ATOM 1202 O ILE B 79 4.805 -17.261 -9.212 1.00 0.00 O ATOM 1203 CB ILE B 79 7.914 -16.453 -10.469 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.081 -16.640 -11.745 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.307 -17.062 -10.640 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.681 -15.851 -12.906 1.00 0.00 C ATOM 0 H ILE B 79 6.912 -18.926 -10.133 1.00 0.00 H new ATOM 0 HA ILE B 79 7.718 -16.764 -8.331 1.00 0.00 H new ATOM 0 HB ILE B 79 8.019 -15.382 -10.297 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.036 -17.698 -12.003 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.057 -16.312 -11.567 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.793 -16.620 -11.510 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.903 -16.862 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.218 -18.139 -10.782 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.074 -15.999 -13.799 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.702 -14.791 -12.653 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.696 -16.199 -13.096 1.00 0.00 H new ATOM 1218 N LYS B 80 5.720 -15.198 -9.027 1.00 0.00 N ATOM 1219 CA LYS B 80 4.519 -14.392 -9.099 1.00 0.00 C ATOM 1220 C LYS B 80 4.702 -13.417 -10.253 1.00 0.00 C ATOM 1221 O LYS B 80 5.810 -12.922 -10.461 1.00 0.00 O ATOM 1222 CB LYS B 80 4.352 -13.611 -7.794 1.00 0.00 C ATOM 1223 CG LYS B 80 3.034 -12.831 -7.784 1.00 0.00 C ATOM 1224 CD LYS B 80 3.029 -11.782 -6.674 1.00 0.00 C ATOM 1225 CE LYS B 80 1.734 -10.976 -6.738 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.732 -9.878 -5.752 1.00 0.00 N ATOM 0 H LYS B 80 6.553 -14.634 -8.858 1.00 0.00 H new ATOM 0 HA LYS B 80 3.638 -15.015 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.378 -14.299 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS B 80 5.187 -12.922 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.887 -12.346 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.201 -13.519 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS B 80 3.120 -12.266 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.888 -11.119 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.608 -10.567 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.885 -11.634 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 1.338 -9.020 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 1.150 -10.148 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 2.706 -9.691 -5.438 1.00 0.00 H new ATOM 1240 N VAL B 81 3.632 -13.137 -10.995 1.00 0.00 N ATOM 1241 CA VAL B 81 3.674 -12.125 -12.037 1.00 0.00 C ATOM 1242 C VAL B 81 2.434 -11.251 -11.927 1.00 0.00 C ATOM 1243 O VAL B 81 1.316 -11.758 -11.848 1.00 0.00 O ATOM 1244 CB VAL B 81 3.815 -12.760 -13.421 1.00 0.00 C ATOM 1245 CG1 VAL B 81 3.944 -11.669 -14.479 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.067 -13.627 -13.483 1.00 0.00 C ATOM 0 H VAL B 81 2.728 -13.599 -10.891 1.00 0.00 H new ATOM 0 HA VAL B 81 4.554 -11.496 -11.902 1.00 0.00 H new ATOM 0 HB VAL B 81 2.931 -13.370 -13.606 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.044 -12.127 -15.463 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.055 -11.038 -14.461 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.825 -11.062 -14.270 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.153 -14.072 -14.474 1.00 0.00 H new ATOM 0 HG22 VAL B 81 5.945 -13.013 -13.283 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.000 -14.417 -12.735 1.00 0.00 H new ATOM 1256 N GLU B 82 2.640 -9.934 -11.919 1.00 0.00 N ATOM 1257 CA GLU B 82 1.572 -8.973 -11.694 1.00 0.00 C ATOM 1258 C GLU B 82 1.988 -7.621 -12.267 1.00 0.00 C ATOM 1259 O GLU B 82 3.171 -7.407 -12.520 1.00 0.00 O ATOM 1260 CB GLU B 82 1.334 -8.876 -10.181 1.00 0.00 C ATOM 1261 CG GLU B 82 0.090 -8.053 -9.843 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.270 -8.183 -8.367 1.00 0.00 C ATOM 1263 OE1 GLU B 82 0.619 -7.908 -7.526 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.431 -8.556 -8.082 1.00 0.00 O ATOM 0 H GLU B 82 3.555 -9.508 -12.069 1.00 0.00 H new ATOM 0 HA GLU B 82 0.651 -9.285 -12.187 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.228 -9.879 -9.767 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.206 -8.426 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.266 -7.005 -10.087 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.748 -8.386 -10.456 1.00 0.00 H new ATOM 1271 N GLN B 83 1.048 -6.698 -12.478 1.00 0.00 N ATOM 1272 CA GLN B 83 1.407 -5.363 -12.933 1.00 0.00 C ATOM 1273 C GLN B 83 2.121 -4.674 -11.771 1.00 0.00 C ATOM 1274 O GLN B 83 1.567 -4.558 -10.677 1.00 0.00 O ATOM 1275 CB GLN B 83 0.147 -4.624 -13.402 1.00 0.00 C ATOM 1276 CG GLN B 83 0.425 -3.599 -14.512 1.00 0.00 C ATOM 1277 CD GLN B 83 0.927 -2.250 -14.010 1.00 0.00 C ATOM 1278 OE1 GLN B 83 0.132 -1.364 -13.715 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.242 -2.078 -13.911 1.00 0.00 N ATOM 0 H GLN B 83 0.049 -6.851 -12.342 1.00 0.00 H new ATOM 0 HA GLN B 83 2.079 -5.380 -13.791 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.580 -5.352 -13.762 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.306 -4.115 -12.551 1.00 0.00 H new ATOM 0 HG2 GLN B 83 1.163 -4.015 -15.198 1.00 0.00 H new ATOM 0 HG3 GLN B 83 -0.490 -3.443 -15.084 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.876 -2.836 -14.165 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.617 -1.188 -13.581 1.00 0.00 H new ATOM 1288 N ALA B 84 3.353 -4.215 -12.003 1.00 0.00 N ATOM 1289 CA ALA B 84 4.216 -3.731 -10.937 1.00 0.00 C ATOM 1290 C ALA B 84 3.673 -2.481 -10.251 1.00 0.00 C ATOM 1291 O ALA B 84 2.981 -1.672 -10.869 1.00 0.00 O ATOM 1292 CB ALA B 84 5.599 -3.439 -11.508 1.00 0.00 C ATOM 0 H ALA B 84 3.773 -4.171 -12.931 1.00 0.00 H new ATOM 0 HA ALA B 84 4.264 -4.513 -10.179 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.251 -3.076 -10.714 1.00 0.00 H new ATOM 0 HB2 ALA B 84 6.018 -4.352 -11.932 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.518 -2.681 -12.287 1.00 0.00 H new ATOM 1298 N THR B 85 4.000 -2.337 -8.964 1.00 0.00 N ATOM 1299 CA THR B 85 3.690 -1.137 -8.204 1.00 0.00 C ATOM 1300 C THR B 85 4.962 -0.337 -7.954 1.00 0.00 C ATOM 1301 O THR B 85 6.067 -0.813 -8.205 1.00 0.00 O ATOM 1302 CB THR B 85 3.011 -1.466 -6.874 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.810 -2.351 -6.118 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.647 -2.112 -7.104 1.00 0.00 C ATOM 0 H THR B 85 4.487 -3.053 -8.425 1.00 0.00 H new ATOM 0 HA THR B 85 2.993 -0.542 -8.794 1.00 0.00 H new ATOM 0 HB THR B 85 2.880 -0.530 -6.330 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.363 -2.551 -5.269 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.184 -2.337 -6.143 1.00 0.00 H new ATOM 0 HG22 THR B 85 1.009 -1.427 -7.663 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.772 -3.035 -7.671 1.00 0.00 H new