USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 ASN : amide:sc= -3.85! C(o=-3.5!,f=-16!) USER MOD Set 1.2: B 19 THR OG1 : rot 46:sc= 0.378 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 TYR OH : rot 150:sc= -0.272 USER MOD Single : B 40 MET CE :methyl -130:sc= -0.247 (180deg=-2.2!) 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= 0.0433 USER MOD Single : B 63 LYS NZ :NH3+ 170:sc=-0.00747 (180deg=-0.135) USER MOD Single : B 69 MET CE :methyl -163:sc= -2.55 (180deg=-2.99) USER MOD Single : B 70 ASN : amide:sc= -0.0841 K(o=-0.084,f=-1.9) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0456 USER MOD Single : B 77 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : B 80 LYS NZ :NH3+ -113:sc= 0.245 (180deg=0) USER MOD Single : B 83 GLN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.246 -2.613 -19.046 1.00 0.00 N ATOM 112 CA GLY B 8 3.338 -3.285 -19.722 1.00 0.00 C ATOM 113 C GLY B 8 4.460 -3.562 -18.731 1.00 0.00 C ATOM 114 O GLY B 8 5.289 -4.433 -18.984 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.988 -4.219 -20.160 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.707 -2.667 -20.541 1.00 0.00 H new ATOM 118 N LYS B 9 4.492 -2.833 -17.613 1.00 0.00 N ATOM 119 CA LYS B 9 5.462 -3.096 -16.567 1.00 0.00 C ATOM 120 C LYS B 9 4.922 -4.199 -15.671 1.00 0.00 C ATOM 121 O LYS B 9 3.788 -4.127 -15.197 1.00 0.00 O ATOM 122 CB LYS B 9 5.785 -1.835 -15.771 1.00 0.00 C ATOM 123 CG LYS B 9 6.888 -2.178 -14.762 1.00 0.00 C ATOM 124 CD LYS B 9 7.185 -1.016 -13.817 1.00 0.00 C ATOM 125 CE LYS B 9 7.814 0.151 -14.573 1.00 0.00 C ATOM 126 NZ LYS B 9 8.084 1.290 -13.675 1.00 0.00 N ATOM 0 H LYS B 9 3.856 -2.060 -17.416 1.00 0.00 H new ATOM 0 HA LYS B 9 6.400 -3.422 -17.017 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.114 -1.038 -16.438 1.00 0.00 H new ATOM 0 HB3 LYS B 9 4.896 -1.473 -15.255 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.588 -3.050 -14.180 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.797 -2.450 -15.298 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.264 -0.689 -13.335 1.00 0.00 H new ATOM 0 HD3 LYS B 9 7.858 -1.348 -13.026 1.00 0.00 H new ATOM 0 HE2 LYS B 9 8.744 -0.175 -15.040 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.148 0.468 -15.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.511 2.067 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.193 1.615 -13.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 8.739 0.992 -12.924 1.00 0.00 H new ATOM 140 N LEU B 10 5.740 -5.220 -15.441 1.00 0.00 N ATOM 141 CA LEU B 10 5.363 -6.355 -14.628 1.00 0.00 C ATOM 142 C LEU B 10 6.291 -6.467 -13.430 1.00 0.00 C ATOM 143 O LEU B 10 7.424 -5.988 -13.470 1.00 0.00 O ATOM 144 CB LEU B 10 5.461 -7.621 -15.477 1.00 0.00 C ATOM 145 CG LEU B 10 4.448 -7.699 -16.617 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.682 -9.025 -17.337 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.010 -7.677 -16.109 1.00 0.00 C ATOM 0 H LEU B 10 6.686 -5.278 -15.818 1.00 0.00 H new ATOM 0 HA LEU B 10 4.342 -6.227 -14.268 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.465 -7.686 -15.895 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.329 -8.488 -14.830 1.00 0.00 H new ATOM 0 HG LEU B 10 4.583 -6.837 -17.270 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.976 -9.121 -18.162 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.700 -9.053 -17.726 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.537 -9.849 -16.638 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.325 -7.734 -16.955 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.844 -8.528 -15.449 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.832 -6.752 -15.560 1.00 0.00 H new ATOM 159 N PHE B 11 5.793 -7.102 -12.376 1.00 0.00 N ATOM 160 CA PHE B 11 6.563 -7.445 -11.198 1.00 0.00 C ATOM 161 C PHE B 11 6.749 -8.954 -11.190 1.00 0.00 C ATOM 162 O PHE B 11 5.778 -9.692 -11.346 1.00 0.00 O ATOM 163 CB PHE B 11 5.822 -6.989 -9.943 1.00 0.00 C ATOM 164 CG PHE B 11 6.409 -7.595 -8.691 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.613 -7.097 -8.179 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.756 -8.658 -8.049 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.160 -7.650 -7.017 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.312 -9.220 -6.892 1.00 0.00 C ATOM 169 CZ PHE B 11 7.513 -8.712 -6.379 1.00 0.00 C ATOM 0 H PHE B 11 4.818 -7.398 -12.320 1.00 0.00 H new ATOM 0 HA PHE B 11 7.534 -6.949 -11.213 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.861 -5.902 -9.873 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.771 -7.265 -10.022 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.119 -6.286 -8.681 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.828 -9.042 -8.445 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.081 -7.257 -6.613 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.816 -10.042 -6.397 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.941 -9.143 -5.486 1.00 0.00 H new ATOM 179 N ILE B 12 7.990 -9.404 -11.012 1.00 0.00 N ATOM 180 CA ILE B 12 8.335 -10.810 -11.097 1.00 0.00 C ATOM 181 C ILE B 12 8.960 -11.255 -9.776 1.00 0.00 C ATOM 182 O ILE B 12 10.178 -11.234 -9.633 1.00 0.00 O ATOM 183 CB ILE B 12 9.296 -11.045 -12.272 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.032 -10.212 -13.537 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.267 -12.532 -12.613 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.652 -10.401 -14.162 1.00 0.00 C ATOM 0 H ILE B 12 8.783 -8.796 -10.804 1.00 0.00 H new ATOM 0 HA ILE B 12 7.437 -11.402 -11.275 1.00 0.00 H new ATOM 0 HB ILE B 12 10.276 -10.709 -11.934 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.161 -9.158 -13.292 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.788 -10.461 -14.282 1.00 0.00 H new ATOM 0 HG21 ILE B 12 9.942 -12.727 -13.446 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.584 -13.111 -11.745 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.254 -12.822 -12.891 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.564 -9.771 -15.047 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.521 -11.445 -14.445 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.884 -10.121 -13.440 1.00 0.00 H new ATOM 198 N GLY B 13 8.141 -11.660 -8.804 1.00 0.00 N ATOM 199 CA GLY B 13 8.641 -12.036 -7.487 1.00 0.00 C ATOM 200 C GLY B 13 8.734 -13.549 -7.306 1.00 0.00 C ATOM 201 O GLY B 13 7.901 -14.289 -7.821 1.00 0.00 O ATOM 0 H GLY B 13 7.129 -11.735 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.626 -11.594 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.985 -11.622 -6.721 1.00 0.00 H new ATOM 205 N GLY B 14 9.746 -14.014 -6.567 1.00 0.00 N ATOM 206 CA GLY B 14 9.873 -15.414 -6.180 1.00 0.00 C ATOM 207 C GLY B 14 10.899 -16.146 -7.037 1.00 0.00 C ATOM 208 O GLY B 14 11.028 -17.367 -6.950 1.00 0.00 O ATOM 0 H GLY B 14 10.502 -13.423 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.164 -15.477 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.905 -15.906 -6.272 1.00 0.00 H new ATOM 212 N LEU B 15 11.630 -15.398 -7.868 1.00 0.00 N ATOM 213 CA LEU B 15 12.585 -15.962 -8.808 1.00 0.00 C ATOM 214 C LEU B 15 13.737 -16.664 -8.102 1.00 0.00 C ATOM 215 O LEU B 15 13.994 -16.466 -6.917 1.00 0.00 O ATOM 216 CB LEU B 15 13.166 -14.849 -9.679 1.00 0.00 C ATOM 217 CG LEU B 15 12.143 -14.149 -10.573 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.589 -12.707 -10.792 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.101 -14.829 -11.938 1.00 0.00 C ATOM 0 H LEU B 15 11.571 -14.380 -7.903 1.00 0.00 H new ATOM 0 HA LEU B 15 12.049 -16.694 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.635 -14.106 -9.034 1.00 0.00 H new ATOM 0 HB3 LEU B 15 13.952 -15.268 -10.307 1.00 0.00 H new ATOM 0 HG LEU B 15 11.163 -14.193 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.867 -12.196 -11.429 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.652 -12.196 -9.831 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.567 -12.698 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.370 -14.327 -12.572 1.00 0.00 H new ATOM 0 HD22 LEU B 15 13.085 -14.772 -12.403 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.817 -15.874 -11.815 1.00 0.00 H new ATOM 231 N ASN B 16 14.430 -17.495 -8.879 1.00 0.00 N ATOM 232 CA ASN B 16 15.623 -18.207 -8.488 1.00 0.00 C ATOM 233 C ASN B 16 16.783 -17.219 -8.335 1.00 0.00 C ATOM 234 O ASN B 16 16.872 -16.241 -9.075 1.00 0.00 O ATOM 235 CB ASN B 16 15.812 -19.276 -9.549 1.00 0.00 C ATOM 236 CG ASN B 16 17.240 -19.659 -9.807 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.933 -18.970 -10.539 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.681 -20.755 -9.213 1.00 0.00 N ATOM 0 H ASN B 16 14.154 -17.692 -9.841 1.00 0.00 H new ATOM 0 HA ASN B 16 15.561 -18.693 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.260 -20.167 -9.250 1.00 0.00 H new ATOM 0 HB3 ASN B 16 15.370 -18.925 -10.482 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.643 -21.061 -9.357 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.059 -21.294 -8.611 1.00 0.00 H new ATOM 245 N THR B 17 17.676 -17.475 -7.373 1.00 0.00 N ATOM 246 CA THR B 17 18.780 -16.570 -7.046 1.00 0.00 C ATOM 247 C THR B 17 19.843 -16.552 -8.137 1.00 0.00 C ATOM 248 O THR B 17 20.795 -15.777 -8.068 1.00 0.00 O ATOM 249 CB THR B 17 19.424 -17.007 -5.730 1.00 0.00 C ATOM 250 OG1 THR B 17 19.917 -18.323 -5.863 1.00 0.00 O ATOM 251 CG2 THR B 17 18.404 -16.992 -4.604 1.00 0.00 C ATOM 0 H THR B 17 17.652 -18.318 -6.799 1.00 0.00 H new ATOM 0 HA THR B 17 18.368 -15.565 -6.957 1.00 0.00 H new ATOM 0 HB THR B 17 20.233 -16.314 -5.497 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.332 -18.604 -5.021 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.882 -17.306 -3.676 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.008 -15.983 -4.485 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.589 -17.676 -4.842 1.00 0.00 H new ATOM 259 N GLU B 18 19.665 -17.410 -9.139 1.00 0.00 N ATOM 260 CA GLU B 18 20.614 -17.645 -10.212 1.00 0.00 C ATOM 261 C GLU B 18 20.059 -17.079 -11.522 1.00 0.00 C ATOM 262 O GLU B 18 20.749 -17.065 -12.540 1.00 0.00 O ATOM 263 CB GLU B 18 20.877 -19.154 -10.308 1.00 0.00 C ATOM 264 CG GLU B 18 20.781 -19.876 -8.953 1.00 0.00 C ATOM 265 CD GLU B 18 21.929 -19.531 -7.998 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.593 -18.489 -8.201 1.00 0.00 O ATOM 267 OE2 GLU B 18 22.138 -20.329 -7.060 1.00 0.00 O ATOM 0 H GLU B 18 18.823 -17.979 -9.224 1.00 0.00 H new ATOM 0 HA GLU B 18 21.559 -17.140 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU B 18 20.161 -19.597 -11.000 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.869 -19.317 -10.729 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.834 -19.619 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.771 -20.953 -9.123 1.00 0.00 H new ATOM 274 N THR B 19 18.802 -16.616 -11.485 1.00 0.00 N ATOM 275 CA THR B 19 18.113 -16.018 -12.617 1.00 0.00 C ATOM 276 C THR B 19 18.630 -14.601 -12.811 1.00 0.00 C ATOM 277 O THR B 19 18.925 -13.902 -11.841 1.00 0.00 O ATOM 278 CB THR B 19 16.602 -16.029 -12.354 1.00 0.00 C ATOM 279 OG1 THR B 19 16.180 -17.365 -12.202 1.00 0.00 O ATOM 280 CG2 THR B 19 15.771 -15.406 -13.479 1.00 0.00 C ATOM 0 H THR B 19 18.229 -16.652 -10.642 1.00 0.00 H new ATOM 0 HA THR B 19 18.303 -16.586 -13.528 1.00 0.00 H new ATOM 0 HB THR B 19 16.442 -15.430 -11.458 1.00 0.00 H new ATOM 0 HG1 THR B 19 16.799 -17.838 -11.607 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.714 -15.452 -13.218 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.066 -14.366 -13.616 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.941 -15.956 -14.404 1.00 0.00 H new ATOM 288 N ASN B 20 18.740 -14.176 -14.069 1.00 0.00 N ATOM 289 CA ASN B 20 19.234 -12.849 -14.404 1.00 0.00 C ATOM 290 C ASN B 20 18.373 -12.249 -15.498 1.00 0.00 C ATOM 291 O ASN B 20 17.294 -12.751 -15.808 1.00 0.00 O ATOM 292 CB ASN B 20 20.689 -12.888 -14.882 1.00 0.00 C ATOM 293 CG ASN B 20 21.473 -14.040 -14.289 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.069 -13.929 -13.224 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.467 -15.158 -15.001 1.00 0.00 N ATOM 0 H ASN B 20 18.489 -14.743 -14.879 1.00 0.00 H new ATOM 0 HA ASN B 20 19.186 -12.240 -13.501 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.707 -12.964 -15.969 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.178 -11.950 -14.620 1.00 0.00 H new ATOM 0 HD21 ASN B 20 21.975 -15.978 -14.668 1.00 0.00 H new ATOM 0 HD22 ASN B 20 20.955 -15.199 -15.882 1.00 0.00 H new ATOM 302 N GLU B 21 18.868 -11.165 -16.091 1.00 0.00 N ATOM 303 CA GLU B 21 18.140 -10.433 -17.112 1.00 0.00 C ATOM 304 C GLU B 21 18.030 -11.283 -18.374 1.00 0.00 C ATOM 305 O GLU B 21 17.063 -11.158 -19.119 1.00 0.00 O ATOM 306 CB GLU B 21 18.876 -9.128 -17.402 1.00 0.00 C ATOM 307 CG GLU B 21 18.766 -8.218 -16.182 1.00 0.00 C ATOM 308 CD GLU B 21 19.677 -7.000 -16.318 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.288 -6.065 -17.052 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.758 -7.012 -15.684 1.00 0.00 O ATOM 0 H GLU B 21 19.785 -10.774 -15.874 1.00 0.00 H new ATOM 0 HA GLU B 21 17.132 -10.205 -16.765 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.923 -9.328 -17.630 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.447 -8.639 -18.277 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.733 -7.891 -16.061 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.032 -8.776 -15.284 1.00 0.00 H new ATOM 317 N LYS B 22 19.010 -12.153 -18.622 1.00 0.00 N ATOM 318 CA LYS B 22 19.008 -12.993 -19.809 1.00 0.00 C ATOM 319 C LYS B 22 17.852 -13.997 -19.735 1.00 0.00 C ATOM 320 O LYS B 22 17.305 -14.395 -20.756 1.00 0.00 O ATOM 321 CB LYS B 22 20.371 -13.687 -19.899 1.00 0.00 C ATOM 322 CG LYS B 22 20.846 -13.966 -21.330 1.00 0.00 C ATOM 323 CD LYS B 22 19.899 -14.859 -22.130 1.00 0.00 C ATOM 324 CE LYS B 22 20.564 -15.260 -23.444 1.00 0.00 C ATOM 325 NZ LYS B 22 19.675 -16.114 -24.252 1.00 0.00 N ATOM 0 H LYS B 22 19.815 -12.291 -18.011 1.00 0.00 H new ATOM 0 HA LYS B 22 18.855 -12.400 -20.711 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.114 -13.068 -19.397 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.322 -14.630 -19.355 1.00 0.00 H new ATOM 0 HG2 LYS B 22 20.967 -13.018 -21.854 1.00 0.00 H new ATOM 0 HG3 LYS B 22 21.829 -14.436 -21.292 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.646 -15.748 -21.552 1.00 0.00 H new ATOM 0 HD3 LYS B 22 18.966 -14.332 -22.329 1.00 0.00 H new ATOM 0 HE2 LYS B 22 20.827 -14.366 -24.010 1.00 0.00 H new ATOM 0 HE3 LYS B 22 21.493 -15.791 -23.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 20.153 -16.371 -25.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 19.445 -16.977 -23.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 18.799 -15.597 -24.468 1.00 0.00 H new ATOM 339 N ALA B 23 17.476 -14.407 -18.521 1.00 0.00 N ATOM 340 CA ALA B 23 16.448 -15.417 -18.328 1.00 0.00 C ATOM 341 C ALA B 23 15.096 -14.737 -18.229 1.00 0.00 C ATOM 342 O ALA B 23 14.064 -15.379 -18.380 1.00 0.00 O ATOM 343 CB ALA B 23 16.783 -16.211 -17.069 1.00 0.00 C ATOM 0 H ALA B 23 17.876 -14.048 -17.654 1.00 0.00 H new ATOM 0 HA ALA B 23 16.409 -16.109 -19.170 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.022 -16.975 -16.907 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.756 -16.688 -17.188 1.00 0.00 H new ATOM 0 HB3 ALA B 23 16.810 -15.539 -16.211 1.00 0.00 H new ATOM 349 N LEU B 24 15.106 -13.431 -17.977 1.00 0.00 N ATOM 350 CA LEU B 24 13.924 -12.635 -17.767 1.00 0.00 C ATOM 351 C LEU B 24 13.507 -11.971 -19.073 1.00 0.00 C ATOM 352 O LEU B 24 12.327 -11.699 -19.278 1.00 0.00 O ATOM 353 CB LEU B 24 14.317 -11.636 -16.681 1.00 0.00 C ATOM 354 CG LEU B 24 13.790 -12.136 -15.343 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.565 -11.552 -14.170 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.330 -11.735 -15.186 1.00 0.00 C ATOM 0 H LEU B 24 15.969 -12.891 -17.914 1.00 0.00 H new ATOM 0 HA LEU B 24 13.056 -13.215 -17.452 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.401 -11.526 -16.643 1.00 0.00 H new ATOM 0 HB3 LEU B 24 13.905 -10.652 -16.906 1.00 0.00 H new ATOM 0 HG LEU B 24 13.905 -13.220 -15.337 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.155 -11.936 -13.236 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.614 -11.836 -14.250 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.481 -10.465 -14.184 1.00 0.00 H new ATOM 0 HD21 LEU B 24 11.955 -12.094 -14.228 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.245 -10.649 -15.225 1.00 0.00 H new ATOM 0 HD23 LEU B 24 11.743 -12.174 -15.993 1.00 0.00 H new ATOM 368 N GLU B 25 14.463 -11.709 -19.959 1.00 0.00 N ATOM 369 CA GLU B 25 14.140 -11.205 -21.284 1.00 0.00 C ATOM 370 C GLU B 25 13.769 -12.352 -22.206 1.00 0.00 C ATOM 371 O GLU B 25 12.988 -12.189 -23.138 1.00 0.00 O ATOM 372 CB GLU B 25 15.347 -10.492 -21.888 1.00 0.00 C ATOM 373 CG GLU B 25 15.609 -9.205 -21.129 1.00 0.00 C ATOM 374 CD GLU B 25 16.706 -8.375 -21.786 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.893 -8.678 -21.535 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.348 -7.441 -22.538 1.00 0.00 O ATOM 0 H GLU B 25 15.460 -11.837 -19.783 1.00 0.00 H new ATOM 0 HA GLU B 25 13.303 -10.513 -21.184 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.224 -11.138 -21.843 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.165 -10.275 -22.941 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.691 -8.619 -21.078 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.895 -9.439 -20.104 1.00 0.00 H new ATOM 383 N ALA B 26 14.346 -13.521 -21.933 1.00 0.00 N ATOM 384 CA ALA B 26 14.156 -14.706 -22.744 1.00 0.00 C ATOM 385 C ALA B 26 12.841 -15.391 -22.413 1.00 0.00 C ATOM 386 O ALA B 26 12.253 -16.047 -23.269 1.00 0.00 O ATOM 387 CB ALA B 26 15.304 -15.656 -22.441 1.00 0.00 C ATOM 0 H ALA B 26 14.963 -13.666 -21.134 1.00 0.00 H new ATOM 0 HA ALA B 26 14.134 -14.428 -23.798 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.193 -16.562 -23.036 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.250 -15.174 -22.687 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.293 -15.914 -21.382 1.00 0.00 H new ATOM 393 N VAL B 27 12.382 -15.238 -21.167 1.00 0.00 N ATOM 394 CA VAL B 27 11.186 -15.914 -20.710 1.00 0.00 C ATOM 395 C VAL B 27 9.931 -15.069 -20.887 1.00 0.00 C ATOM 396 O VAL B 27 8.863 -15.582 -21.202 1.00 0.00 O ATOM 397 CB VAL B 27 11.400 -16.289 -19.266 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.214 -15.078 -18.372 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.450 -17.398 -18.858 1.00 0.00 C ATOM 0 H VAL B 27 12.828 -14.649 -20.464 1.00 0.00 H new ATOM 0 HA VAL B 27 11.020 -16.804 -21.316 1.00 0.00 H new ATOM 0 HB VAL B 27 12.422 -16.651 -19.152 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.372 -15.365 -17.333 1.00 0.00 H new ATOM 0 HG12 VAL B 27 11.934 -14.307 -18.649 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.203 -14.690 -18.491 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.619 -17.656 -17.812 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.421 -17.062 -18.987 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.626 -18.275 -19.481 1.00 0.00 H new ATOM 409 N PHE B 28 10.065 -13.758 -20.683 1.00 0.00 N ATOM 410 CA PHE B 28 8.946 -12.847 -20.864 1.00 0.00 C ATOM 411 C PHE B 28 8.914 -12.285 -22.280 1.00 0.00 C ATOM 412 O PHE B 28 7.932 -11.657 -22.672 1.00 0.00 O ATOM 413 CB PHE B 28 8.981 -11.744 -19.810 1.00 0.00 C ATOM 414 CG PHE B 28 8.654 -12.249 -18.426 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.321 -12.416 -18.037 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.684 -12.564 -17.532 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.017 -12.926 -16.768 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.385 -13.077 -16.265 1.00 0.00 C ATOM 419 CZ PHE B 28 8.051 -13.260 -15.885 1.00 0.00 C ATOM 0 H PHE B 28 10.934 -13.310 -20.394 1.00 0.00 H new ATOM 0 HA PHE B 28 8.020 -13.405 -20.727 1.00 0.00 H new ATOM 0 HB2 PHE B 28 9.971 -11.287 -19.801 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.272 -10.963 -20.084 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.524 -12.151 -18.716 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.713 -12.411 -17.821 1.00 0.00 H new ATOM 0 HE1 PHE B 28 5.987 -13.061 -16.472 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.182 -13.331 -15.582 1.00 0.00 H new ATOM 0 HZ PHE B 28 7.818 -13.660 -14.909 1.00 0.00 H new ATOM 429 N GLY B 29 9.979 -12.510 -23.055 1.00 0.00 N ATOM 430 CA GLY B 29 9.997 -12.076 -24.447 1.00 0.00 C ATOM 431 C GLY B 29 9.152 -13.012 -25.310 1.00 0.00 C ATOM 432 O GLY B 29 8.984 -12.781 -26.505 1.00 0.00 O ATOM 0 H GLY B 29 10.827 -12.984 -22.744 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.614 -11.058 -24.522 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.023 -12.059 -24.816 1.00 0.00 H new ATOM 436 N LYS B 30 8.623 -14.068 -24.684 1.00 0.00 N ATOM 437 CA LYS B 30 7.799 -15.081 -25.322 1.00 0.00 C ATOM 438 C LYS B 30 6.365 -14.608 -25.496 1.00 0.00 C ATOM 439 O LYS B 30 5.593 -15.200 -26.244 1.00 0.00 O ATOM 440 CB LYS B 30 7.831 -16.319 -24.420 1.00 0.00 C ATOM 441 CG LYS B 30 9.266 -16.830 -24.301 1.00 0.00 C ATOM 442 CD LYS B 30 9.427 -17.956 -23.273 1.00 0.00 C ATOM 443 CE LYS B 30 8.265 -18.946 -23.324 1.00 0.00 C ATOM 444 NZ LYS B 30 8.497 -20.083 -22.413 1.00 0.00 N ATOM 0 H LYS B 30 8.765 -14.240 -23.689 1.00 0.00 H new ATOM 0 HA LYS B 30 8.186 -15.299 -26.317 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.439 -16.073 -23.433 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.190 -17.098 -24.832 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.599 -17.187 -25.276 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.918 -16.001 -24.026 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.362 -18.485 -23.457 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.495 -17.527 -22.273 1.00 0.00 H new ATOM 0 HE2 LYS B 30 7.339 -18.440 -23.051 1.00 0.00 H new ATOM 0 HE3 LYS B 30 8.139 -19.312 -24.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 7.693 -20.741 -22.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.368 -20.578 -22.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 8.593 -19.733 -21.438 1.00 0.00 H new ATOM 458 N TYR B 31 6.028 -13.532 -24.793 1.00 0.00 N ATOM 459 CA TYR B 31 4.682 -12.987 -24.769 1.00 0.00 C ATOM 460 C TYR B 31 4.580 -11.632 -25.464 1.00 0.00 C ATOM 461 O TYR B 31 3.479 -11.220 -25.831 1.00 0.00 O ATOM 462 CB TYR B 31 4.274 -12.884 -23.307 1.00 0.00 C ATOM 463 CG TYR B 31 4.384 -14.196 -22.570 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.452 -15.215 -22.806 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.437 -14.394 -21.658 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.578 -16.442 -22.143 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.563 -15.619 -20.984 1.00 0.00 C ATOM 468 CZ TYR B 31 4.643 -16.656 -21.246 1.00 0.00 C ATOM 469 OH TYR B 31 4.779 -17.864 -20.632 1.00 0.00 O ATOM 0 H TYR B 31 6.691 -13.011 -24.219 1.00 0.00 H new ATOM 0 HA TYR B 31 4.012 -13.644 -25.323 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.901 -12.142 -22.812 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.247 -12.525 -23.247 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.638 -15.055 -23.498 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.149 -13.603 -21.476 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.857 -17.226 -22.320 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.359 -15.767 -20.269 1.00 0.00 H new ATOM 0 HH TYR B 31 5.727 -18.034 -20.452 1.00 0.00 H new ATOM 479 N GLY B 32 5.703 -10.933 -25.653 1.00 0.00 N ATOM 480 CA GLY B 32 5.695 -9.619 -26.279 1.00 0.00 C ATOM 481 C GLY B 32 7.086 -9.040 -26.417 1.00 0.00 C ATOM 482 O GLY B 32 8.031 -9.516 -25.790 1.00 0.00 O ATOM 0 H GLY B 32 6.629 -11.261 -25.379 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.235 -9.691 -27.264 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.079 -8.941 -25.688 1.00 0.00 H new ATOM 486 N ARG B 33 7.209 -8.008 -27.249 1.00 0.00 N ATOM 487 CA ARG B 33 8.464 -7.336 -27.441 1.00 0.00 C ATOM 488 C ARG B 33 8.778 -6.521 -26.201 1.00 0.00 C ATOM 489 O ARG B 33 8.048 -5.597 -25.842 1.00 0.00 O ATOM 490 CB ARG B 33 8.373 -6.471 -28.694 1.00 0.00 C ATOM 491 CG ARG B 33 9.793 -6.171 -29.155 1.00 0.00 C ATOM 492 CD ARG B 33 9.803 -5.370 -30.457 1.00 0.00 C ATOM 493 NE ARG B 33 9.278 -6.156 -31.580 1.00 0.00 N ATOM 494 CZ ARG B 33 8.076 -5.982 -32.142 1.00 0.00 C ATOM 495 NH1 ARG B 33 7.234 -5.052 -31.703 1.00 0.00 N ATOM 496 NH2 ARG B 33 7.707 -6.754 -33.160 1.00 0.00 N ATOM 0 H ARG B 33 6.439 -7.627 -27.799 1.00 0.00 H new ATOM 0 HA ARG B 33 9.276 -8.048 -27.586 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.818 -6.989 -29.477 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.837 -5.546 -28.482 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.318 -5.613 -28.380 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.335 -7.106 -29.298 1.00 0.00 H new ATOM 0 HD2 ARG B 33 9.205 -4.467 -30.334 1.00 0.00 H new ATOM 0 HD3 ARG B 33 10.821 -5.051 -30.680 1.00 0.00 H new ATOM 0 HE ARG B 33 9.875 -6.890 -31.961 1.00 0.00 H new ATOM 0 HH11 ARG B 33 7.499 -4.452 -30.922 1.00 0.00 H new ATOM 0 HH12 ARG B 33 6.323 -4.938 -32.147 1.00 0.00 H new ATOM 0 HH21 ARG B 33 8.339 -7.475 -33.509 1.00 0.00 H new ATOM 0 HH22 ARG B 33 6.792 -6.626 -33.592 1.00 0.00 H new ATOM 510 N ILE B 34 9.876 -6.882 -25.556 1.00 0.00 N ATOM 511 CA ILE B 34 10.366 -6.189 -24.375 1.00 0.00 C ATOM 512 C ILE B 34 11.007 -4.860 -24.766 1.00 0.00 C ATOM 513 O ILE B 34 11.690 -4.772 -25.786 1.00 0.00 O ATOM 514 CB ILE B 34 11.335 -7.108 -23.626 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.539 -8.317 -23.116 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.012 -6.367 -22.473 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.383 -9.246 -22.247 1.00 0.00 C ATOM 0 H ILE B 34 10.457 -7.671 -25.840 1.00 0.00 H new ATOM 0 HA ILE B 34 9.539 -5.951 -23.706 1.00 0.00 H new ATOM 0 HB ILE B 34 12.129 -7.441 -24.295 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.681 -7.967 -22.542 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.148 -8.876 -23.966 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.695 -7.042 -21.958 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.570 -5.516 -22.865 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.255 -6.013 -21.773 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.773 -10.085 -21.912 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.227 -9.620 -22.827 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.753 -8.698 -21.381 1.00 0.00 H new ATOM 529 N VAL B 35 10.784 -3.832 -23.949 1.00 0.00 N ATOM 530 CA VAL B 35 11.379 -2.518 -24.151 1.00 0.00 C ATOM 531 C VAL B 35 12.395 -2.228 -23.049 1.00 0.00 C ATOM 532 O VAL B 35 13.305 -1.421 -23.240 1.00 0.00 O ATOM 533 CB VAL B 35 10.306 -1.415 -24.187 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.440 -0.624 -25.483 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.875 -1.941 -24.107 1.00 0.00 C ATOM 0 H VAL B 35 10.183 -3.890 -23.127 1.00 0.00 H new ATOM 0 HA VAL B 35 11.886 -2.523 -25.116 1.00 0.00 H new ATOM 0 HB VAL B 35 10.479 -0.798 -23.305 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.681 0.158 -25.512 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.430 -0.171 -25.532 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.304 -1.293 -26.333 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.177 -1.104 -24.138 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.684 -2.604 -24.950 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.741 -2.491 -23.175 1.00 0.00 H new ATOM 545 N GLU B 36 12.242 -2.886 -21.896 1.00 0.00 N ATOM 546 CA GLU B 36 13.154 -2.752 -20.771 1.00 0.00 C ATOM 547 C GLU B 36 12.985 -3.938 -19.829 1.00 0.00 C ATOM 548 O GLU B 36 11.896 -4.502 -19.738 1.00 0.00 O ATOM 549 CB GLU B 36 12.848 -1.439 -20.045 1.00 0.00 C ATOM 550 CG GLU B 36 13.748 -1.246 -18.826 1.00 0.00 C ATOM 551 CD GLU B 36 13.566 0.147 -18.227 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.244 1.081 -18.715 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.750 0.271 -17.285 1.00 0.00 O ATOM 0 H GLU B 36 11.472 -3.532 -21.722 1.00 0.00 H new ATOM 0 HA GLU B 36 14.186 -2.738 -21.122 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.981 -0.603 -20.732 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.804 -1.431 -19.732 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.517 -2.002 -18.075 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.790 -1.389 -19.112 1.00 0.00 H new ATOM 560 N VAL B 37 14.053 -4.326 -19.126 1.00 0.00 N ATOM 561 CA VAL B 37 13.971 -5.332 -18.081 1.00 0.00 C ATOM 562 C VAL B 37 14.780 -4.890 -16.870 1.00 0.00 C ATOM 563 O VAL B 37 15.817 -4.237 -16.992 1.00 0.00 O ATOM 564 CB VAL B 37 14.411 -6.717 -18.585 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.008 -7.598 -17.486 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.180 -7.453 -19.109 1.00 0.00 C ATOM 0 H VAL B 37 14.990 -3.950 -19.269 1.00 0.00 H new ATOM 0 HA VAL B 37 12.928 -5.430 -17.781 1.00 0.00 H new ATOM 0 HB VAL B 37 15.172 -6.546 -19.347 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.298 -8.560 -17.908 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.885 -7.108 -17.064 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.267 -7.754 -16.702 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.472 -8.439 -19.471 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.452 -7.563 -18.305 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.736 -6.883 -19.925 1.00 0.00 H new ATOM 576 N LEU B 38 14.275 -5.267 -15.697 1.00 0.00 N ATOM 577 CA LEU B 38 14.937 -5.050 -14.421 1.00 0.00 C ATOM 578 C LEU B 38 15.211 -6.403 -13.805 1.00 0.00 C ATOM 579 O LEU B 38 14.493 -7.367 -14.056 1.00 0.00 O ATOM 580 CB LEU B 38 14.010 -4.253 -13.521 1.00 0.00 C ATOM 581 CG LEU B 38 14.327 -2.758 -13.505 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.217 -2.024 -12.762 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.637 -2.464 -12.781 1.00 0.00 C ATOM 0 H LEU B 38 13.376 -5.741 -15.610 1.00 0.00 H new ATOM 0 HA LEU B 38 15.870 -4.502 -14.550 1.00 0.00 H new ATOM 0 HB2 LEU B 38 12.981 -4.396 -13.851 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.076 -4.643 -12.505 1.00 0.00 H new ATOM 0 HG LEU B 38 14.411 -2.427 -14.540 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.435 -0.956 -12.745 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.267 -2.193 -13.269 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.155 -2.397 -11.740 1.00 0.00 H new ATOM 0 HD21 LEU B 38 15.826 -1.391 -12.792 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.568 -2.810 -11.750 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.454 -2.981 -13.283 1.00 0.00 H new ATOM 595 N LEU B 39 16.254 -6.468 -12.990 1.00 0.00 N ATOM 596 CA LEU B 39 16.527 -7.645 -12.206 1.00 0.00 C ATOM 597 C LEU B 39 17.249 -7.165 -10.959 1.00 0.00 C ATOM 598 O LEU B 39 18.323 -6.573 -11.054 1.00 0.00 O ATOM 599 CB LEU B 39 17.354 -8.604 -13.065 1.00 0.00 C ATOM 600 CG LEU B 39 17.797 -9.910 -12.401 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.076 -9.716 -11.596 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.724 -10.525 -11.507 1.00 0.00 C ATOM 0 H LEU B 39 16.924 -5.710 -12.860 1.00 0.00 H new ATOM 0 HA LEU B 39 15.635 -8.192 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.773 -8.853 -13.953 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.245 -8.075 -13.405 1.00 0.00 H new ATOM 0 HG LEU B 39 17.981 -10.605 -13.220 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.364 -10.662 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.873 -9.375 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.907 -8.972 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.102 -11.448 -11.067 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.466 -9.824 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.837 -10.743 -12.101 1.00 0.00 H new ATOM 614 N MET B 40 16.654 -7.416 -9.796 1.00 0.00 N ATOM 615 CA MET B 40 17.153 -6.825 -8.569 1.00 0.00 C ATOM 616 C MET B 40 18.125 -7.779 -7.893 1.00 0.00 C ATOM 617 O MET B 40 17.880 -8.984 -7.874 1.00 0.00 O ATOM 618 CB MET B 40 15.994 -6.439 -7.643 1.00 0.00 C ATOM 619 CG MET B 40 14.806 -5.779 -8.353 1.00 0.00 C ATOM 620 SD MET B 40 15.152 -4.792 -9.836 1.00 0.00 S ATOM 621 CE MET B 40 16.310 -3.567 -9.184 1.00 0.00 C ATOM 0 H MET B 40 15.837 -8.017 -9.683 1.00 0.00 H new ATOM 0 HA MET B 40 17.693 -5.908 -8.806 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.643 -7.334 -7.129 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.368 -5.758 -6.878 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.102 -6.564 -8.629 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.300 -5.136 -7.633 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.985 -2.568 -9.475 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.340 -3.637 -8.097 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.305 -3.756 -9.587 1.00 0.00 H new ATOM 631 N LYS B 41 19.220 -7.253 -7.341 1.00 0.00 N ATOM 632 CA LYS B 41 20.187 -8.068 -6.620 1.00 0.00 C ATOM 633 C LYS B 41 20.781 -7.329 -5.424 1.00 0.00 C ATOM 634 O LYS B 41 20.836 -6.101 -5.399 1.00 0.00 O ATOM 635 CB LYS B 41 21.285 -8.619 -7.542 1.00 0.00 C ATOM 636 CG LYS B 41 21.363 -7.920 -8.898 1.00 0.00 C ATOM 637 CD LYS B 41 22.610 -8.392 -9.644 1.00 0.00 C ATOM 638 CE LYS B 41 22.657 -7.765 -11.037 1.00 0.00 C ATOM 639 NZ LYS B 41 23.865 -8.184 -11.769 1.00 0.00 N ATOM 0 H LYS B 41 19.456 -6.261 -7.382 1.00 0.00 H new ATOM 0 HA LYS B 41 19.637 -8.925 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.248 -8.525 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.111 -9.683 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.471 -8.140 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.396 -6.839 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.504 -8.119 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.605 -9.479 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.769 -8.054 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.639 -6.679 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.870 -7.743 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.711 -7.886 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.868 -9.219 -11.871 1.00 0.00 H new ATOM 765 N ARG B 49 17.654 -10.513 -5.593 1.00 0.00 N ATOM 766 CA ARG B 49 16.818 -10.245 -4.429 1.00 0.00 C ATOM 767 C ARG B 49 15.649 -11.228 -4.412 1.00 0.00 C ATOM 768 O ARG B 49 14.896 -11.289 -3.441 1.00 0.00 O ATOM 769 CB ARG B 49 16.258 -8.826 -4.535 1.00 0.00 C ATOM 770 CG ARG B 49 17.326 -7.735 -4.559 1.00 0.00 C ATOM 771 CD ARG B 49 17.771 -7.284 -3.174 1.00 0.00 C ATOM 772 NE ARG B 49 16.714 -6.534 -2.486 1.00 0.00 N ATOM 773 CZ ARG B 49 16.464 -5.239 -2.708 1.00 0.00 C ATOM 774 NH1 ARG B 49 17.187 -4.555 -3.590 1.00 0.00 N ATOM 775 NH2 ARG B 49 15.489 -4.624 -2.044 1.00 0.00 N ATOM 0 HA ARG B 49 17.410 -10.352 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.657 -8.751 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.590 -8.647 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.194 -8.100 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.941 -6.874 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG B 49 18.047 -8.154 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.662 -6.662 -3.262 1.00 0.00 H new ATOM 0 HE ARG B 49 16.139 -7.026 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.938 -5.018 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG B 49 16.991 -3.568 -3.754 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.931 -5.140 -1.364 1.00 0.00 H new ATOM 0 HH22 ARG B 49 15.300 -3.636 -2.215 1.00 0.00 H new ATOM 789 N GLY B 50 15.502 -11.990 -5.501 1.00 0.00 N ATOM 790 CA GLY B 50 14.401 -12.916 -5.691 1.00 0.00 C ATOM 791 C GLY B 50 13.224 -12.243 -6.394 1.00 0.00 C ATOM 792 O GLY B 50 12.200 -12.885 -6.601 1.00 0.00 O ATOM 0 H GLY B 50 16.159 -11.974 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.738 -13.770 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.077 -13.302 -4.725 1.00 0.00 H new ATOM 796 N PHE B 51 13.350 -10.965 -6.765 1.00 0.00 N ATOM 797 CA PHE B 51 12.298 -10.287 -7.499 1.00 0.00 C ATOM 798 C PHE B 51 12.888 -9.410 -8.599 1.00 0.00 C ATOM 799 O PHE B 51 14.060 -9.032 -8.543 1.00 0.00 O ATOM 800 CB PHE B 51 11.392 -9.507 -6.544 1.00 0.00 C ATOM 801 CG PHE B 51 11.989 -8.244 -5.966 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.858 -8.297 -4.867 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.653 -7.006 -6.533 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.388 -7.113 -4.333 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.166 -5.825 -5.985 1.00 0.00 C ATOM 806 CZ PHE B 51 13.043 -5.876 -4.896 1.00 0.00 C ATOM 0 H PHE B 51 14.168 -10.389 -6.567 1.00 0.00 H new ATOM 0 HA PHE B 51 11.672 -11.031 -7.992 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.475 -9.246 -7.073 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.109 -10.164 -5.721 1.00 0.00 H new ATOM 0 HD1 PHE B 51 13.120 -9.250 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.999 -6.964 -7.392 1.00 0.00 H new ATOM 0 HE1 PHE B 51 14.061 -7.154 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.884 -4.871 -6.404 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.454 -4.964 -4.489 1.00 0.00 H new ATOM 816 N ALA B 52 12.070 -9.090 -9.605 1.00 0.00 N ATOM 817 CA ALA B 52 12.500 -8.356 -10.782 1.00 0.00 C ATOM 818 C ALA B 52 11.318 -7.640 -11.433 1.00 0.00 C ATOM 819 O ALA B 52 10.193 -7.720 -10.940 1.00 0.00 O ATOM 820 CB ALA B 52 13.107 -9.370 -11.752 1.00 0.00 C ATOM 0 H ALA B 52 11.081 -9.339 -9.618 1.00 0.00 H new ATOM 0 HA ALA B 52 13.231 -7.595 -10.510 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.443 -8.856 -12.652 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.955 -9.864 -11.278 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.356 -10.114 -12.018 1.00 0.00 H new ATOM 826 N PHE B 53 11.568 -6.938 -12.544 1.00 0.00 N ATOM 827 CA PHE B 53 10.523 -6.252 -13.290 1.00 0.00 C ATOM 828 C PHE B 53 10.807 -6.354 -14.786 1.00 0.00 C ATOM 829 O PHE B 53 11.925 -6.669 -15.189 1.00 0.00 O ATOM 830 CB PHE B 53 10.424 -4.781 -12.865 1.00 0.00 C ATOM 831 CG PHE B 53 10.144 -4.555 -11.405 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.180 -4.705 -10.477 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.860 -4.183 -10.984 1.00 0.00 C ATOM 834 CE1 PHE B 53 10.930 -4.506 -9.115 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.607 -3.991 -9.620 1.00 0.00 C ATOM 836 CZ PHE B 53 9.640 -4.159 -8.686 1.00 0.00 C ATOM 0 H PHE B 53 12.500 -6.833 -12.945 1.00 0.00 H new ATOM 0 HA PHE B 53 9.568 -6.731 -13.073 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.358 -4.282 -13.121 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.637 -4.303 -13.448 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.171 -4.974 -10.811 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.070 -4.045 -11.707 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.728 -4.619 -8.396 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.618 -3.714 -9.288 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.442 -4.021 -7.633 1.00 0.00 H new ATOM 846 N VAL B 54 9.799 -6.087 -15.618 1.00 0.00 N ATOM 847 CA VAL B 54 9.951 -6.111 -17.066 1.00 0.00 C ATOM 848 C VAL B 54 8.924 -5.191 -17.706 1.00 0.00 C ATOM 849 O VAL B 54 7.787 -5.137 -17.249 1.00 0.00 O ATOM 850 CB VAL B 54 9.797 -7.546 -17.594 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.554 -8.226 -17.084 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.802 -7.601 -19.122 1.00 0.00 C ATOM 0 H VAL B 54 8.858 -5.849 -15.304 1.00 0.00 H new ATOM 0 HA VAL B 54 10.949 -5.757 -17.326 1.00 0.00 H new ATOM 0 HB VAL B 54 10.666 -8.083 -17.213 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.499 -9.236 -17.490 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.586 -8.274 -15.996 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.676 -7.661 -17.396 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.691 -8.635 -19.449 1.00 0.00 H new ATOM 0 HG22 VAL B 54 8.975 -7.006 -19.510 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.744 -7.201 -19.497 1.00 0.00 H new ATOM 862 N THR B 55 9.320 -4.471 -18.754 1.00 0.00 N ATOM 863 CA THR B 55 8.422 -3.591 -19.488 1.00 0.00 C ATOM 864 C THR B 55 8.207 -4.122 -20.898 1.00 0.00 C ATOM 865 O THR B 55 9.161 -4.306 -21.652 1.00 0.00 O ATOM 866 CB THR B 55 8.966 -2.162 -19.528 1.00 0.00 C ATOM 867 OG1 THR B 55 9.202 -1.705 -18.214 1.00 0.00 O ATOM 868 CG2 THR B 55 7.934 -1.241 -20.184 1.00 0.00 C ATOM 0 H THR B 55 10.274 -4.484 -19.116 1.00 0.00 H new ATOM 0 HA THR B 55 7.463 -3.569 -18.971 1.00 0.00 H new ATOM 0 HB THR B 55 9.895 -2.153 -20.098 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.552 -0.790 -18.244 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.321 -0.223 -20.213 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.735 -1.582 -21.200 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.009 -1.261 -19.607 1.00 0.00 H new ATOM 876 N PHE B 56 6.940 -4.358 -21.240 1.00 0.00 N ATOM 877 CA PHE B 56 6.522 -4.793 -22.560 1.00 0.00 C ATOM 878 C PHE B 56 6.139 -3.611 -23.447 1.00 0.00 C ATOM 879 O PHE B 56 5.784 -2.544 -22.953 1.00 0.00 O ATOM 880 CB PHE B 56 5.318 -5.710 -22.406 1.00 0.00 C ATOM 881 CG PHE B 56 5.635 -7.080 -21.853 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.155 -7.255 -20.561 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.400 -8.192 -22.666 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.425 -8.545 -20.082 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.654 -9.477 -22.184 1.00 0.00 C ATOM 886 CZ PHE B 56 6.152 -9.657 -20.890 1.00 0.00 C ATOM 0 H PHE B 56 6.164 -4.248 -20.588 1.00 0.00 H new ATOM 0 HA PHE B 56 7.354 -5.313 -23.034 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.592 -5.228 -21.751 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.841 -5.827 -23.379 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.347 -6.396 -19.936 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.021 -8.057 -23.668 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.841 -8.681 -19.095 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.465 -10.335 -22.812 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.326 -10.654 -20.513 1.00 0.00 H new ATOM 896 N GLU B 57 6.206 -3.807 -24.767 1.00 0.00 N ATOM 897 CA GLU B 57 5.745 -2.825 -25.726 1.00 0.00 C ATOM 898 C GLU B 57 4.220 -2.750 -25.759 1.00 0.00 C ATOM 899 O GLU B 57 3.674 -1.724 -26.165 1.00 0.00 O ATOM 900 CB GLU B 57 6.278 -3.202 -27.107 1.00 0.00 C ATOM 901 CG GLU B 57 7.699 -2.687 -27.327 1.00 0.00 C ATOM 902 CD GLU B 57 8.082 -2.654 -28.806 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.319 -3.210 -29.631 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.143 -2.064 -29.109 1.00 0.00 O ATOM 0 H GLU B 57 6.583 -4.655 -25.191 1.00 0.00 H new ATOM 0 HA GLU B 57 6.116 -1.844 -25.431 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.263 -4.286 -27.219 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.620 -2.793 -27.874 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.789 -1.685 -26.908 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.401 -3.322 -26.786 1.00 0.00 H new ATOM 911 N SER B 58 3.520 -3.811 -25.336 1.00 0.00 N ATOM 912 CA SER B 58 2.069 -3.778 -25.234 1.00 0.00 C ATOM 913 C SER B 58 1.640 -4.074 -23.805 1.00 0.00 C ATOM 914 O SER B 58 2.230 -4.929 -23.145 1.00 0.00 O ATOM 915 CB SER B 58 1.468 -4.774 -26.219 1.00 0.00 C ATOM 916 OG SER B 58 0.084 -4.924 -25.979 1.00 0.00 O ATOM 0 H SER B 58 3.941 -4.698 -25.061 1.00 0.00 H new ATOM 0 HA SER B 58 1.702 -2.784 -25.489 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.632 -4.430 -27.240 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.968 -5.738 -26.123 1.00 0.00 H new ATOM 0 HG SER B 58 -0.291 -5.565 -26.619 1.00 0.00 H new ATOM 922 N PRO B 59 0.607 -3.376 -23.315 1.00 0.00 N ATOM 923 CA PRO B 59 0.109 -3.553 -21.968 1.00 0.00 C ATOM 924 C PRO B 59 -0.712 -4.826 -21.865 1.00 0.00 C ATOM 925 O PRO B 59 -1.192 -5.134 -20.783 1.00 0.00 O ATOM 926 CB PRO B 59 -0.788 -2.349 -21.727 1.00 0.00 C ATOM 927 CG PRO B 59 -1.384 -2.132 -23.107 1.00 0.00 C ATOM 928 CD PRO B 59 -0.175 -2.367 -24.010 1.00 0.00 C ATOM 0 HA PRO B 59 0.919 -3.631 -21.243 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.553 -2.551 -20.977 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.226 -1.481 -21.382 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.193 -2.831 -23.317 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.792 -1.128 -23.223 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.479 -2.711 -24.999 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.397 -1.451 -24.154 1.00 0.00 H new ATOM 936 N ALA B 60 -0.877 -5.565 -22.972 1.00 0.00 N ATOM 937 CA ALA B 60 -1.644 -6.799 -22.977 1.00 0.00 C ATOM 938 C ALA B 60 -0.760 -7.985 -23.344 1.00 0.00 C ATOM 939 O ALA B 60 -1.136 -9.132 -23.103 1.00 0.00 O ATOM 940 CB ALA B 60 -2.836 -6.647 -23.918 1.00 0.00 C ATOM 0 H ALA B 60 -0.481 -5.318 -23.879 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.027 -6.999 -21.976 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.414 -7.571 -23.925 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.467 -5.826 -23.576 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.479 -6.435 -24.926 1.00 0.00 H new ATOM 946 N ASP B 61 0.417 -7.730 -23.924 1.00 0.00 N ATOM 947 CA ASP B 61 1.405 -8.781 -24.092 1.00 0.00 C ATOM 948 C ASP B 61 1.955 -9.122 -22.711 1.00 0.00 C ATOM 949 O ASP B 61 2.368 -10.250 -22.450 1.00 0.00 O ATOM 950 CB ASP B 61 2.543 -8.294 -24.991 1.00 0.00 C ATOM 951 CG ASP B 61 2.156 -8.191 -26.469 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.006 -8.555 -26.808 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.025 -7.745 -27.250 1.00 0.00 O ATOM 0 H ASP B 61 0.699 -6.816 -24.278 1.00 0.00 H new ATOM 0 HA ASP B 61 0.951 -9.657 -24.556 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.877 -7.317 -24.643 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.389 -8.974 -24.892 1.00 0.00 H new ATOM 958 N ALA B 62 1.953 -8.126 -21.819 1.00 0.00 N ATOM 959 CA ALA B 62 2.358 -8.313 -20.441 1.00 0.00 C ATOM 960 C ALA B 62 1.264 -9.031 -19.657 1.00 0.00 C ATOM 961 O ALA B 62 1.563 -9.757 -18.714 1.00 0.00 O ATOM 962 CB ALA B 62 2.634 -6.945 -19.830 1.00 0.00 C ATOM 0 H ALA B 62 1.669 -7.172 -22.042 1.00 0.00 H new ATOM 0 HA ALA B 62 3.258 -8.927 -20.401 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.941 -7.066 -18.791 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.429 -6.451 -20.388 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.730 -6.338 -19.873 1.00 0.00 H new ATOM 968 N LYS B 63 -0.003 -8.843 -20.038 1.00 0.00 N ATOM 969 CA LYS B 63 -1.103 -9.550 -19.399 1.00 0.00 C ATOM 970 C LYS B 63 -1.049 -11.012 -19.801 1.00 0.00 C ATOM 971 O LYS B 63 -1.297 -11.890 -18.986 1.00 0.00 O ATOM 972 CB LYS B 63 -2.442 -8.946 -19.830 1.00 0.00 C ATOM 973 CG LYS B 63 -2.567 -7.511 -19.325 1.00 0.00 C ATOM 974 CD LYS B 63 -3.829 -6.819 -19.857 1.00 0.00 C ATOM 975 CE LYS B 63 -5.095 -7.498 -19.331 1.00 0.00 C ATOM 976 NZ LYS B 63 -5.246 -7.316 -17.875 1.00 0.00 N ATOM 0 H LYS B 63 -0.286 -8.208 -20.784 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.012 -9.459 -18.317 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.523 -8.964 -20.917 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.262 -9.548 -19.439 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.586 -7.511 -18.235 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.688 -6.943 -19.628 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -3.825 -5.770 -19.559 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.827 -6.841 -20.947 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.967 -7.088 -19.841 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.061 -8.562 -19.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -6.190 -7.638 -17.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -4.520 -7.871 -17.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -5.134 -6.310 -17.638 1.00 0.00 H new ATOM 990 N ASP B 64 -0.720 -11.282 -21.063 1.00 0.00 N ATOM 991 CA ASP B 64 -0.660 -12.647 -21.554 1.00 0.00 C ATOM 992 C ASP B 64 0.484 -13.397 -20.887 1.00 0.00 C ATOM 993 O ASP B 64 0.410 -14.608 -20.701 1.00 0.00 O ATOM 994 CB ASP B 64 -0.447 -12.587 -23.061 1.00 0.00 C ATOM 995 CG ASP B 64 -0.648 -13.950 -23.715 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.769 -14.495 -23.582 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.318 -14.436 -24.345 1.00 0.00 O ATOM 0 H ASP B 64 -0.492 -10.572 -21.759 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.584 -13.176 -21.322 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.140 -11.868 -23.498 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.560 -12.227 -23.272 1.00 0.00 H new ATOM 1002 N ALA B 65 1.538 -12.667 -20.521 1.00 0.00 N ATOM 1003 CA ALA B 65 2.645 -13.232 -19.776 1.00 0.00 C ATOM 1004 C ALA B 65 2.260 -13.412 -18.315 1.00 0.00 C ATOM 1005 O ALA B 65 2.523 -14.455 -17.723 1.00 0.00 O ATOM 1006 CB ALA B 65 3.850 -12.302 -19.869 1.00 0.00 C ATOM 0 H ALA B 65 1.641 -11.675 -20.735 1.00 0.00 H new ATOM 0 HA ALA B 65 2.895 -14.204 -20.201 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.682 -12.728 -19.308 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.139 -12.184 -20.913 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.592 -11.329 -19.452 1.00 0.00 H new ATOM 1012 N ALA B 66 1.630 -12.392 -17.728 1.00 0.00 N ATOM 1013 CA ALA B 66 1.270 -12.403 -16.323 1.00 0.00 C ATOM 1014 C ALA B 66 0.119 -13.380 -16.057 1.00 0.00 C ATOM 1015 O ALA B 66 -0.169 -13.703 -14.907 1.00 0.00 O ATOM 1016 CB ALA B 66 0.902 -10.971 -15.919 1.00 0.00 C ATOM 0 H ALA B 66 1.359 -11.540 -18.219 1.00 0.00 H new ATOM 0 HA ALA B 66 2.111 -12.748 -15.721 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.626 -10.950 -14.865 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.757 -10.315 -16.084 1.00 0.00 H new ATOM 0 HB3 ALA B 66 0.060 -10.628 -16.521 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.532 -13.850 -17.125 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.551 -14.885 -17.064 1.00 0.00 C ATOM 1024 C ARG B 67 -0.984 -16.269 -17.386 1.00 0.00 C ATOM 1025 O ARG B 67 -1.755 -17.223 -17.500 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.682 -14.535 -18.036 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.469 -13.320 -17.535 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.536 -12.897 -18.545 1.00 0.00 C ATOM 1029 NE ARG B 67 -3.951 -12.474 -19.821 1.00 0.00 N ATOM 1030 CZ ARG B 67 -4.671 -12.094 -20.882 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -5.998 -12.096 -20.836 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -4.063 -11.710 -21.999 1.00 0.00 N ATOM 0 H ARG B 67 -0.357 -13.511 -18.071 1.00 0.00 H new ATOM 0 HA ARG B 67 -1.934 -14.926 -16.044 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.269 -14.325 -19.023 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.351 -15.388 -18.146 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -3.941 -13.557 -16.581 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.786 -12.490 -17.355 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -5.220 -13.728 -18.718 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -5.125 -12.080 -18.128 1.00 0.00 H new ATOM 0 HE ARG B 67 -2.934 -12.469 -19.905 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -6.478 -12.389 -19.985 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -6.537 -11.804 -21.651 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -3.044 -11.704 -22.049 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -4.615 -11.421 -22.807 1.00 0.00 H new ATOM 1046 N ASP B 68 0.338 -16.409 -17.539 1.00 0.00 N ATOM 1047 CA ASP B 68 0.936 -17.653 -17.973 1.00 0.00 C ATOM 1048 C ASP B 68 2.046 -18.048 -17.026 1.00 0.00 C ATOM 1049 O ASP B 68 2.080 -19.167 -16.521 1.00 0.00 O ATOM 1050 CB ASP B 68 1.561 -17.402 -19.339 1.00 0.00 C ATOM 1051 CG ASP B 68 0.727 -18.001 -20.470 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.450 -17.595 -20.609 1.00 0.00 O ATOM 1053 OD2 ASP B 68 1.278 -18.865 -21.190 1.00 0.00 O ATOM 0 H ASP B 68 1.010 -15.662 -17.364 1.00 0.00 H new ATOM 0 HA ASP B 68 0.182 -18.440 -18.003 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.668 -16.329 -19.497 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.564 -17.829 -19.363 1.00 0.00 H new ATOM 1058 N MET B 69 2.946 -17.092 -16.808 1.00 0.00 N ATOM 1059 CA MET B 69 4.137 -17.218 -16.021 1.00 0.00 C ATOM 1060 C MET B 69 3.858 -17.057 -14.530 1.00 0.00 C ATOM 1061 O MET B 69 4.704 -17.399 -13.705 1.00 0.00 O ATOM 1062 CB MET B 69 5.040 -16.112 -16.545 1.00 0.00 C ATOM 1063 CG MET B 69 5.792 -16.541 -17.802 1.00 0.00 C ATOM 1064 SD MET B 69 6.767 -18.061 -17.645 1.00 0.00 S ATOM 1065 CE MET B 69 7.726 -17.611 -16.184 1.00 0.00 C ATOM 0 H MET B 69 2.843 -16.159 -17.207 1.00 0.00 H new ATOM 0 HA MET B 69 4.588 -18.206 -16.111 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.442 -15.227 -16.764 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.755 -15.830 -15.772 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.071 -16.674 -18.609 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.458 -15.731 -18.100 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.589 -18.271 -16.098 1.00 0.00 H new ATOM 0 HE2 MET B 69 8.066 -16.579 -16.276 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.103 -17.710 -15.295 1.00 0.00 H new ATOM 1075 N ASN B 70 2.682 -16.538 -14.172 1.00 0.00 N ATOM 1076 CA ASN B 70 2.296 -16.411 -12.780 1.00 0.00 C ATOM 1077 C ASN B 70 1.932 -17.791 -12.240 1.00 0.00 C ATOM 1078 O ASN B 70 0.973 -18.410 -12.698 1.00 0.00 O ATOM 1079 CB ASN B 70 1.125 -15.429 -12.668 1.00 0.00 C ATOM 1080 CG ASN B 70 0.682 -15.213 -11.228 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.372 -15.597 -10.286 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.477 -14.591 -11.042 1.00 0.00 N ATOM 0 H ASN B 70 1.984 -16.200 -14.835 1.00 0.00 H new ATOM 0 HA ASN B 70 3.120 -16.018 -12.184 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.414 -14.472 -13.103 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.284 -15.803 -13.251 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.818 -14.420 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.026 -14.285 -11.845 1.00 0.00 H new ATOM 1089 N GLY B 71 2.704 -18.267 -11.259 1.00 0.00 N ATOM 1090 CA GLY B 71 2.481 -19.554 -10.618 1.00 0.00 C ATOM 1091 C GLY B 71 3.396 -20.640 -11.180 1.00 0.00 C ATOM 1092 O GLY B 71 3.443 -21.747 -10.641 1.00 0.00 O ATOM 0 H GLY B 71 3.508 -17.760 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.648 -19.458 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.441 -19.851 -10.753 1.00 0.00 H new ATOM 1096 N LYS B 72 4.127 -20.332 -12.255 1.00 0.00 N ATOM 1097 CA LYS B 72 5.134 -21.193 -12.830 1.00 0.00 C ATOM 1098 C LYS B 72 6.433 -21.031 -12.063 1.00 0.00 C ATOM 1099 O LYS B 72 6.430 -20.621 -10.907 1.00 0.00 O ATOM 1100 CB LYS B 72 5.334 -20.784 -14.279 1.00 0.00 C ATOM 1101 CG LYS B 72 4.026 -20.711 -15.069 1.00 0.00 C ATOM 1102 CD LYS B 72 3.256 -22.032 -15.060 1.00 0.00 C ATOM 1103 CE LYS B 72 4.089 -23.162 -15.668 1.00 0.00 C ATOM 1104 NZ LYS B 72 3.326 -24.426 -15.702 1.00 0.00 N ATOM 0 H LYS B 72 4.023 -19.449 -12.755 1.00 0.00 H new ATOM 0 HA LYS B 72 4.822 -22.236 -12.776 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.825 -19.812 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS B 72 6.004 -21.496 -14.762 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.397 -19.926 -14.650 1.00 0.00 H new ATOM 0 HG3 LYS B 72 4.244 -20.429 -16.099 1.00 0.00 H new ATOM 0 HD2 LYS B 72 2.981 -22.289 -14.037 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.328 -21.919 -15.620 1.00 0.00 H new ATOM 0 HE2 LYS B 72 4.394 -22.890 -16.679 1.00 0.00 H new ATOM 0 HE3 LYS B 72 5.001 -23.299 -15.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 3.914 -25.175 -16.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 3.057 -24.695 -14.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 2.469 -24.299 -16.277 1.00 0.00 H new ATOM 1118 N SER B 73 7.541 -21.354 -12.722 1.00 0.00 N ATOM 1119 CA SER B 73 8.867 -21.339 -12.129 1.00 0.00 C ATOM 1120 C SER B 73 9.917 -20.895 -13.117 1.00 0.00 C ATOM 1121 O SER B 73 9.732 -20.960 -14.333 1.00 0.00 O ATOM 1122 CB SER B 73 9.142 -22.749 -11.625 1.00 0.00 C ATOM 1123 OG SER B 73 10.402 -22.843 -11.001 1.00 0.00 O ATOM 0 H SER B 73 7.539 -21.638 -13.702 1.00 0.00 H new ATOM 0 HA SER B 73 8.907 -20.621 -11.310 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.364 -23.042 -10.920 1.00 0.00 H new ATOM 0 HB3 SER B 73 9.096 -23.449 -12.459 1.00 0.00 H new ATOM 0 HG SER B 73 10.545 -23.761 -10.688 1.00 0.00 H new ATOM 1129 N LEU B 74 11.030 -20.440 -12.552 1.00 0.00 N ATOM 1130 CA LEU B 74 12.167 -20.002 -13.323 1.00 0.00 C ATOM 1131 C LEU B 74 13.410 -20.593 -12.699 1.00 0.00 C ATOM 1132 O LEU B 74 13.636 -20.414 -11.502 1.00 0.00 O ATOM 1133 CB LEU B 74 12.267 -18.477 -13.327 1.00 0.00 C ATOM 1134 CG LEU B 74 12.311 -17.970 -14.771 1.00 0.00 C ATOM 1135 CD1 LEU B 74 11.022 -17.268 -15.112 1.00 0.00 C ATOM 1136 CD2 LEU B 74 13.281 -16.835 -15.011 1.00 0.00 C ATOM 0 H LEU B 74 11.160 -20.368 -11.543 1.00 0.00 H new ATOM 0 HA LEU B 74 12.058 -20.333 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.413 -18.045 -12.805 1.00 0.00 H new ATOM 0 HB3 LEU B 74 13.162 -18.160 -12.792 1.00 0.00 H new ATOM 0 HG LEU B 74 12.557 -18.868 -15.337 1.00 0.00 H new ATOM 0 HD11 LEU B 74 11.063 -16.911 -16.141 1.00 0.00 H new ATOM 0 HD12 LEU B 74 10.189 -17.963 -15.002 1.00 0.00 H new ATOM 0 HD13 LEU B 74 10.880 -16.422 -14.440 1.00 0.00 H new ATOM 0 HD21 LEU B 74 13.245 -16.541 -16.060 1.00 0.00 H new ATOM 0 HD22 LEU B 74 13.008 -15.985 -14.386 1.00 0.00 H new ATOM 0 HD23 LEU B 74 14.291 -17.160 -14.760 1.00 0.00 H new ATOM 1148 N ASP B 75 14.198 -21.293 -13.516 1.00 0.00 N ATOM 1149 CA ASP B 75 15.427 -21.958 -13.109 1.00 0.00 C ATOM 1150 C ASP B 75 15.240 -23.037 -12.048 1.00 0.00 C ATOM 1151 O ASP B 75 16.059 -23.948 -11.950 1.00 0.00 O ATOM 1152 CB ASP B 75 16.389 -20.884 -12.619 1.00 0.00 C ATOM 1153 CG ASP B 75 17.847 -21.316 -12.766 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.365 -21.967 -11.831 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.435 -20.996 -13.823 1.00 0.00 O ATOM 0 H ASP B 75 13.989 -21.414 -14.507 1.00 0.00 H new ATOM 0 HA ASP B 75 15.820 -22.491 -13.975 1.00 0.00 H new ATOM 0 HB2 ASP B 75 16.224 -19.965 -13.181 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.180 -20.660 -11.573 1.00 0.00 H new ATOM 1160 N GLY B 76 14.175 -22.952 -11.254 1.00 0.00 N ATOM 1161 CA GLY B 76 13.903 -23.955 -10.251 1.00 0.00 C ATOM 1162 C GLY B 76 12.945 -23.489 -9.159 1.00 0.00 C ATOM 1163 O GLY B 76 12.467 -24.322 -8.390 1.00 0.00 O ATOM 0 H GLY B 76 13.492 -22.196 -11.293 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.485 -24.837 -10.736 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.843 -24.260 -9.791 1.00 0.00 H new ATOM 1167 N LYS B 77 12.655 -22.182 -9.078 1.00 0.00 N ATOM 1168 CA LYS B 77 11.831 -21.621 -8.014 1.00 0.00 C ATOM 1169 C LYS B 77 10.582 -20.990 -8.604 1.00 0.00 C ATOM 1170 O LYS B 77 10.646 -20.303 -9.621 1.00 0.00 O ATOM 1171 CB LYS B 77 12.620 -20.590 -7.201 1.00 0.00 C ATOM 1172 CG LYS B 77 13.968 -21.132 -6.719 1.00 0.00 C ATOM 1173 CD LYS B 77 13.810 -22.384 -5.847 1.00 0.00 C ATOM 1174 CE LYS B 77 15.165 -23.051 -5.618 1.00 0.00 C ATOM 1175 NZ LYS B 77 16.076 -22.199 -4.827 1.00 0.00 N ATOM 0 H LYS B 77 12.988 -21.491 -9.750 1.00 0.00 H new ATOM 0 HA LYS B 77 11.536 -22.427 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.786 -19.701 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.028 -20.280 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.592 -21.368 -7.581 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.487 -20.359 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.365 -22.114 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.129 -23.086 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.019 -24.001 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.625 -23.277 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.958 -22.716 -4.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 16.291 -21.332 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 15.622 -21.948 -3.926 1.00 0.00 H new ATOM 1189 N ALA B 78 9.443 -21.228 -7.952 1.00 0.00 N ATOM 1190 CA ALA B 78 8.160 -20.768 -8.447 1.00 0.00 C ATOM 1191 C ALA B 78 8.039 -19.249 -8.329 1.00 0.00 C ATOM 1192 O ALA B 78 8.444 -18.675 -7.317 1.00 0.00 O ATOM 1193 CB ALA B 78 7.041 -21.484 -7.699 1.00 0.00 C ATOM 0 H ALA B 78 9.391 -21.742 -7.073 1.00 0.00 H new ATOM 0 HA ALA B 78 8.077 -21.009 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.076 -21.139 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.127 -22.559 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.118 -21.267 -6.634 1.00 0.00 H new ATOM 1199 N ILE B 79 7.483 -18.600 -9.359 1.00 0.00 N ATOM 1200 CA ILE B 79 7.398 -17.150 -9.409 1.00 0.00 C ATOM 1201 C ILE B 79 5.970 -16.627 -9.514 1.00 0.00 C ATOM 1202 O ILE B 79 5.031 -17.355 -9.844 1.00 0.00 O ATOM 1203 CB ILE B 79 8.264 -16.577 -10.540 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.713 -16.883 -11.937 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.676 -17.134 -10.409 1.00 0.00 C ATOM 1206 CD1 ILE B 79 8.505 -16.160 -13.038 1.00 0.00 C ATOM 0 H ILE B 79 7.084 -19.069 -10.172 1.00 0.00 H new ATOM 0 HA ILE B 79 7.788 -16.801 -8.453 1.00 0.00 H new ATOM 0 HB ILE B 79 8.260 -15.492 -10.437 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.746 -17.958 -12.113 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.666 -16.584 -11.987 1.00 0.00 H new ATOM 0 HG21 ILE B 79 10.301 -16.734 -11.208 1.00 0.00 H new ATOM 0 HG22 ILE B 79 10.093 -16.846 -9.444 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.646 -18.221 -10.482 1.00 0.00 H new ATOM 0 HD11 ILE B 79 8.081 -16.405 -14.012 1.00 0.00 H new ATOM 0 HD12 ILE B 79 8.450 -15.083 -12.878 1.00 0.00 H new ATOM 0 HD13 ILE B 79 9.547 -16.479 -13.006 1.00 0.00 H new ATOM 1218 N LYS B 80 5.844 -15.333 -9.220 1.00 0.00 N ATOM 1219 CA LYS B 80 4.629 -14.550 -9.301 1.00 0.00 C ATOM 1220 C LYS B 80 4.800 -13.534 -10.417 1.00 0.00 C ATOM 1221 O LYS B 80 5.901 -13.021 -10.608 1.00 0.00 O ATOM 1222 CB LYS B 80 4.436 -13.823 -7.972 1.00 0.00 C ATOM 1223 CG LYS B 80 3.113 -13.049 -7.910 1.00 0.00 C ATOM 1224 CD LYS B 80 3.164 -12.053 -6.751 1.00 0.00 C ATOM 1225 CE LYS B 80 1.822 -11.342 -6.589 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.894 -10.305 -5.544 1.00 0.00 N ATOM 0 H LYS B 80 6.639 -14.779 -8.901 1.00 0.00 H new ATOM 0 HA LYS B 80 3.764 -15.183 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.468 -14.547 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS B 80 5.265 -13.132 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.942 -12.523 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.280 -13.739 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS B 80 3.418 -12.574 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.950 -11.320 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.530 -10.888 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS B 80 1.051 -12.068 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 1.296 -10.581 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 2.878 -10.202 -5.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.558 -9.399 -5.930 1.00 0.00 H new ATOM 1240 N VAL B 81 3.726 -13.243 -11.150 1.00 0.00 N ATOM 1241 CA VAL B 81 3.756 -12.205 -12.165 1.00 0.00 C ATOM 1242 C VAL B 81 2.503 -11.358 -12.033 1.00 0.00 C ATOM 1243 O VAL B 81 1.396 -11.886 -11.961 1.00 0.00 O ATOM 1244 CB VAL B 81 3.906 -12.802 -13.564 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.089 -11.677 -14.578 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.131 -13.712 -13.630 1.00 0.00 C ATOM 0 H VAL B 81 2.827 -13.715 -11.056 1.00 0.00 H new ATOM 0 HA VAL B 81 4.627 -11.567 -12.014 1.00 0.00 H new ATOM 0 HB VAL B 81 3.010 -13.381 -13.790 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.196 -12.101 -15.576 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.219 -11.020 -14.554 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.983 -11.105 -14.329 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.222 -14.128 -14.633 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.026 -13.136 -13.394 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.021 -14.523 -12.910 1.00 0.00 H new ATOM 1256 N GLU B 82 2.680 -10.038 -12.002 1.00 0.00 N ATOM 1257 CA GLU B 82 1.588 -9.110 -11.752 1.00 0.00 C ATOM 1258 C GLU B 82 1.953 -7.745 -12.332 1.00 0.00 C ATOM 1259 O GLU B 82 3.124 -7.493 -12.598 1.00 0.00 O ATOM 1260 CB GLU B 82 1.370 -9.030 -10.235 1.00 0.00 C ATOM 1261 CG GLU B 82 0.120 -8.233 -9.860 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.195 -8.374 -8.370 1.00 0.00 C ATOM 1263 OE1 GLU B 82 0.753 -8.288 -7.557 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.388 -8.567 -8.050 1.00 0.00 O ATOM 0 H GLU B 82 3.583 -9.587 -12.149 1.00 0.00 H new ATOM 0 HA GLU B 82 0.666 -9.445 -12.227 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.288 -10.039 -9.830 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.242 -8.570 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.268 -7.181 -10.106 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.728 -8.582 -10.449 1.00 0.00 H new ATOM 1271 N GLN B 83 0.977 -6.858 -12.536 1.00 0.00 N ATOM 1272 CA GLN B 83 1.289 -5.512 -12.995 1.00 0.00 C ATOM 1273 C GLN B 83 1.977 -4.796 -11.833 1.00 0.00 C ATOM 1274 O GLN B 83 1.424 -4.709 -10.737 1.00 0.00 O ATOM 1275 CB GLN B 83 0.004 -4.824 -13.475 1.00 0.00 C ATOM 1276 CG GLN B 83 0.243 -3.810 -14.602 1.00 0.00 C ATOM 1277 CD GLN B 83 0.707 -2.439 -14.120 1.00 0.00 C ATOM 1278 OE1 GLN B 83 -0.116 -1.572 -13.841 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.013 -2.228 -14.022 1.00 0.00 N ATOM 0 H GLN B 83 -0.015 -7.046 -12.393 1.00 0.00 H new ATOM 0 HA GLN B 83 1.964 -5.503 -13.851 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.698 -5.582 -13.821 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.465 -4.316 -12.632 1.00 0.00 H new ATOM 0 HG2 GLN B 83 0.989 -4.214 -15.287 1.00 0.00 H new ATOM 0 HG3 GLN B 83 -0.680 -3.690 -15.170 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.669 -2.971 -14.262 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.361 -1.323 -13.706 1.00 0.00 H new ATOM 1288 N ALA B 84 3.188 -4.290 -12.070 1.00 0.00 N ATOM 1289 CA ALA B 84 4.040 -3.775 -11.010 1.00 0.00 C ATOM 1290 C ALA B 84 3.416 -2.612 -10.246 1.00 0.00 C ATOM 1291 O ALA B 84 2.685 -1.803 -10.813 1.00 0.00 O ATOM 1292 CB ALA B 84 5.375 -3.348 -11.610 1.00 0.00 C ATOM 0 H ALA B 84 3.600 -4.228 -13.001 1.00 0.00 H new ATOM 0 HA ALA B 84 4.179 -4.578 -10.286 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.021 -2.960 -10.822 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.853 -4.207 -12.081 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.207 -2.571 -12.356 1.00 0.00 H new ATOM 1298 N THR B 85 3.722 -2.541 -8.947 1.00 0.00 N ATOM 1299 CA THR B 85 3.326 -1.417 -8.112 1.00 0.00 C ATOM 1300 C THR B 85 4.511 -0.487 -7.925 1.00 0.00 C ATOM 1301 O THR B 85 5.643 -0.826 -8.266 1.00 0.00 O ATOM 1302 CB THR B 85 2.805 -1.857 -6.742 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.818 -2.517 -6.013 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.603 -2.790 -6.882 1.00 0.00 C ATOM 0 H THR B 85 4.249 -3.261 -8.452 1.00 0.00 H new ATOM 0 HA THR B 85 2.510 -0.905 -8.621 1.00 0.00 H new ATOM 0 HB THR B 85 2.497 -0.959 -6.207 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.468 -2.790 -5.139 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.255 -3.086 -5.892 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.801 -2.274 -7.409 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.895 -3.677 -7.444 1.00 0.00 H new