USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=10 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= -4.09! C(o=-4.1!,f=-4.6!) USER MOD Single : B 17 THR OG1 : rot 80:sc= 1.25 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.0013 USER MOD Single : B 20 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00321) USER MOD Single : B 31 TYR OH : rot 160:sc= -0.841 USER MOD Single : B 40 MET CE :methyl -129:sc= -0.227 (180deg=-2.21!) 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= 0.00587 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -144:sc= -2.02! (180deg=-2.92!) USER MOD Single : B 70 ASN : amide:sc= 0.402 K(o=0.4,f=-4.2!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0231 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 GLN : amide:sc= 0.161 X(o=0.16,f=-0.095) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.174 -2.507 -18.730 1.00 0.00 N ATOM 112 CA GLY B 8 3.295 -3.017 -19.499 1.00 0.00 C ATOM 113 C GLY B 8 4.436 -3.390 -18.576 1.00 0.00 C ATOM 114 O GLY B 8 5.341 -4.104 -18.999 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.984 -3.889 -20.075 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.627 -2.264 -20.214 1.00 0.00 H new ATOM 118 N LYS B 9 4.408 -2.925 -17.324 1.00 0.00 N ATOM 119 CA LYS B 9 5.464 -3.265 -16.393 1.00 0.00 C ATOM 120 C LYS B 9 4.973 -4.367 -15.475 1.00 0.00 C ATOM 121 O LYS B 9 3.895 -4.266 -14.893 1.00 0.00 O ATOM 122 CB LYS B 9 5.952 -2.045 -15.619 1.00 0.00 C ATOM 123 CG LYS B 9 7.139 -2.488 -14.753 1.00 0.00 C ATOM 124 CD LYS B 9 7.726 -1.335 -13.943 1.00 0.00 C ATOM 125 CE LYS B 9 8.389 -0.314 -14.869 1.00 0.00 C ATOM 126 NZ LYS B 9 8.973 0.797 -14.101 1.00 0.00 N ATOM 0 H LYS B 9 3.676 -2.324 -16.945 1.00 0.00 H new ATOM 0 HA LYS B 9 6.329 -3.628 -16.948 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.253 -1.252 -16.304 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.153 -1.642 -14.996 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.817 -3.278 -14.075 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.914 -2.912 -15.392 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.939 -0.852 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.457 -1.718 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.167 -0.802 -15.456 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.653 0.074 -15.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.416 1.475 -14.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 8.225 1.276 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.691 0.427 -13.446 1.00 0.00 H new ATOM 140 N LEU B 10 5.768 -5.420 -15.343 1.00 0.00 N ATOM 141 CA LEU B 10 5.390 -6.567 -14.551 1.00 0.00 C ATOM 142 C LEU B 10 6.298 -6.679 -13.337 1.00 0.00 C ATOM 143 O LEU B 10 7.439 -6.223 -13.363 1.00 0.00 O ATOM 144 CB LEU B 10 5.485 -7.818 -15.421 1.00 0.00 C ATOM 145 CG LEU B 10 4.474 -7.861 -16.568 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.698 -9.177 -17.311 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.035 -7.834 -16.069 1.00 0.00 C ATOM 0 H LEU B 10 6.686 -5.497 -15.781 1.00 0.00 H new ATOM 0 HA LEU B 10 4.365 -6.457 -14.196 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.491 -7.883 -15.835 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.342 -8.696 -14.792 1.00 0.00 H new ATOM 0 HG LEU B 10 4.621 -6.987 -17.202 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.995 -9.250 -18.141 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.718 -9.209 -17.695 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.541 -10.012 -16.628 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.354 -7.866 -16.920 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.856 -8.697 -15.428 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.864 -6.919 -15.502 1.00 0.00 H new ATOM 159 N PHE B 11 5.775 -7.295 -12.283 1.00 0.00 N ATOM 160 CA PHE B 11 6.518 -7.640 -11.090 1.00 0.00 C ATOM 161 C PHE B 11 6.709 -9.145 -11.094 1.00 0.00 C ATOM 162 O PHE B 11 5.742 -9.887 -11.267 1.00 0.00 O ATOM 163 CB PHE B 11 5.738 -7.193 -9.856 1.00 0.00 C ATOM 164 CG PHE B 11 6.297 -7.782 -8.585 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.489 -7.277 -8.055 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.633 -8.840 -7.944 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.018 -7.820 -6.881 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.168 -9.386 -6.770 1.00 0.00 C ATOM 169 CZ PHE B 11 7.364 -8.880 -6.243 1.00 0.00 C ATOM 0 H PHE B 11 4.795 -7.573 -12.240 1.00 0.00 H new ATOM 0 HA PHE B 11 7.488 -7.143 -11.070 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.758 -6.105 -9.790 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.694 -7.487 -9.962 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.001 -6.467 -8.553 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.714 -9.231 -8.354 1.00 0.00 H new ATOM 0 HE1 PHE B 11 8.932 -7.421 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.659 -10.197 -6.271 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.781 -9.308 -5.344 1.00 0.00 H new ATOM 179 N ILE B 12 7.949 -9.595 -10.908 1.00 0.00 N ATOM 180 CA ILE B 12 8.295 -11.001 -11.015 1.00 0.00 C ATOM 181 C ILE B 12 8.888 -11.478 -9.690 1.00 0.00 C ATOM 182 O ILE B 12 10.109 -11.536 -9.546 1.00 0.00 O ATOM 183 CB ILE B 12 9.284 -11.207 -12.175 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.035 -10.345 -13.426 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.260 -12.680 -12.559 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.680 -10.539 -14.103 1.00 0.00 C ATOM 0 H ILE B 12 8.738 -8.991 -10.679 1.00 0.00 H new ATOM 0 HA ILE B 12 7.402 -11.589 -11.225 1.00 0.00 H new ATOM 0 HB ILE B 12 10.257 -10.882 -11.806 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.135 -9.296 -13.148 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.818 -10.558 -14.154 1.00 0.00 H new ATOM 0 HG21 ILE B 12 9.954 -12.853 -13.381 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.555 -13.284 -11.701 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.253 -12.959 -12.870 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.610 -9.884 -14.972 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.577 -11.576 -14.421 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.884 -10.295 -13.400 1.00 0.00 H new ATOM 198 N GLY B 13 8.046 -11.823 -8.709 1.00 0.00 N ATOM 199 CA GLY B 13 8.540 -12.201 -7.390 1.00 0.00 C ATOM 200 C GLY B 13 8.664 -13.715 -7.238 1.00 0.00 C ATOM 201 O GLY B 13 7.845 -14.455 -7.776 1.00 0.00 O ATOM 0 H GLY B 13 7.031 -11.847 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.513 -11.739 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.866 -11.814 -6.626 1.00 0.00 H new ATOM 205 N GLY B 14 9.682 -14.181 -6.509 1.00 0.00 N ATOM 206 CA GLY B 14 9.838 -15.590 -6.170 1.00 0.00 C ATOM 207 C GLY B 14 10.879 -16.268 -7.054 1.00 0.00 C ATOM 208 O GLY B 14 11.019 -17.490 -7.024 1.00 0.00 O ATOM 0 H GLY B 14 10.422 -13.585 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.132 -15.683 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.880 -16.099 -6.279 1.00 0.00 H new ATOM 212 N LEU B 15 11.610 -15.480 -7.842 1.00 0.00 N ATOM 213 CA LEU B 15 12.606 -15.987 -8.773 1.00 0.00 C ATOM 214 C LEU B 15 13.751 -16.684 -8.045 1.00 0.00 C ATOM 215 O LEU B 15 13.945 -16.510 -6.842 1.00 0.00 O ATOM 216 CB LEU B 15 13.176 -14.824 -9.578 1.00 0.00 C ATOM 217 CG LEU B 15 12.151 -14.129 -10.469 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.703 -12.776 -10.905 1.00 0.00 C ATOM 219 CD2 LEU B 15 11.953 -14.982 -11.715 1.00 0.00 C ATOM 0 H LEU B 15 11.523 -14.464 -7.849 1.00 0.00 H new ATOM 0 HA LEU B 15 12.119 -16.712 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.601 -14.093 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU B 15 13.994 -15.191 -10.199 1.00 0.00 H new ATOM 0 HG LEU B 15 11.213 -13.996 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.975 -12.274 -11.542 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.899 -12.163 -10.026 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.630 -12.923 -11.459 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.223 -14.506 -12.370 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.902 -15.082 -12.242 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.592 -15.969 -11.427 1.00 0.00 H new ATOM 231 N ASN B 16 14.515 -17.478 -8.794 1.00 0.00 N ATOM 232 CA ASN B 16 15.675 -18.171 -8.282 1.00 0.00 C ATOM 233 C ASN B 16 16.830 -17.194 -8.058 1.00 0.00 C ATOM 234 O ASN B 16 16.854 -16.103 -8.628 1.00 0.00 O ATOM 235 CB ASN B 16 16.035 -19.258 -9.282 1.00 0.00 C ATOM 236 CG ASN B 16 17.012 -20.277 -8.750 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.333 -20.312 -7.566 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.479 -21.114 -9.659 1.00 0.00 N ATOM 0 H ASN B 16 14.336 -17.654 -9.783 1.00 0.00 H new ATOM 0 HA ASN B 16 15.463 -18.623 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.124 -19.770 -9.592 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.458 -18.793 -10.173 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.144 -21.839 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.174 -21.035 -10.629 1.00 0.00 H new ATOM 245 N THR B 17 17.800 -17.583 -7.226 1.00 0.00 N ATOM 246 CA THR B 17 18.992 -16.784 -6.971 1.00 0.00 C ATOM 247 C THR B 17 19.942 -16.853 -8.162 1.00 0.00 C ATOM 248 O THR B 17 20.973 -16.182 -8.186 1.00 0.00 O ATOM 249 CB THR B 17 19.700 -17.289 -5.713 1.00 0.00 C ATOM 250 OG1 THR B 17 20.110 -18.627 -5.879 1.00 0.00 O ATOM 251 CG2 THR B 17 18.748 -17.258 -4.522 1.00 0.00 C ATOM 0 H THR B 17 17.777 -18.463 -6.711 1.00 0.00 H new ATOM 0 HA THR B 17 18.691 -15.747 -6.821 1.00 0.00 H new ATOM 0 HB THR B 17 20.560 -16.642 -5.541 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.937 -18.653 -6.405 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.265 -17.620 -3.633 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.409 -16.236 -4.353 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.888 -17.896 -4.727 1.00 0.00 H new ATOM 259 N GLU B 18 19.584 -17.675 -9.152 1.00 0.00 N ATOM 260 CA GLU B 18 20.413 -17.996 -10.300 1.00 0.00 C ATOM 261 C GLU B 18 19.911 -17.275 -11.551 1.00 0.00 C ATOM 262 O GLU B 18 20.564 -17.310 -12.593 1.00 0.00 O ATOM 263 CB GLU B 18 20.371 -19.514 -10.505 1.00 0.00 C ATOM 264 CG GLU B 18 20.467 -20.277 -9.178 1.00 0.00 C ATOM 265 CD GLU B 18 21.831 -20.076 -8.519 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.754 -20.846 -8.865 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.951 -19.159 -7.675 1.00 0.00 O ATOM 0 H GLU B 18 18.680 -18.146 -9.170 1.00 0.00 H new ATOM 0 HA GLU B 18 21.437 -17.667 -10.122 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.446 -19.786 -11.013 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.192 -19.815 -11.156 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.681 -19.937 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.299 -21.339 -9.354 1.00 0.00 H new ATOM 274 N THR B 19 18.750 -16.624 -11.445 1.00 0.00 N ATOM 275 CA THR B 19 18.120 -15.945 -12.565 1.00 0.00 C ATOM 276 C THR B 19 18.767 -14.583 -12.777 1.00 0.00 C ATOM 277 O THR B 19 19.147 -13.912 -11.818 1.00 0.00 O ATOM 278 CB THR B 19 16.618 -15.796 -12.308 1.00 0.00 C ATOM 279 OG1 THR B 19 16.053 -17.053 -12.013 1.00 0.00 O ATOM 280 CG2 THR B 19 15.901 -15.223 -13.526 1.00 0.00 C ATOM 0 H THR B 19 18.224 -16.557 -10.574 1.00 0.00 H new ATOM 0 HA THR B 19 18.259 -16.538 -13.469 1.00 0.00 H new ATOM 0 HB THR B 19 16.496 -15.114 -11.466 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.093 -16.949 -11.848 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.836 -15.130 -13.311 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.311 -14.241 -13.761 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.042 -15.888 -14.378 1.00 0.00 H new ATOM 288 N ASN B 20 18.886 -14.176 -14.040 1.00 0.00 N ATOM 289 CA ASN B 20 19.389 -12.855 -14.390 1.00 0.00 C ATOM 290 C ASN B 20 18.513 -12.254 -15.476 1.00 0.00 C ATOM 291 O ASN B 20 17.450 -12.778 -15.801 1.00 0.00 O ATOM 292 CB ASN B 20 20.832 -12.900 -14.888 1.00 0.00 C ATOM 293 CG ASN B 20 21.611 -14.081 -14.353 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.206 -14.019 -13.283 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.596 -15.168 -15.114 1.00 0.00 N ATOM 0 H ASN B 20 18.637 -14.752 -14.844 1.00 0.00 H new ATOM 0 HA ASN B 20 19.363 -12.245 -13.487 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.832 -12.936 -15.977 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.338 -11.979 -14.599 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.096 -16.006 -14.817 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.084 -15.166 -15.996 1.00 0.00 H new ATOM 302 N GLU B 21 18.980 -11.144 -16.041 1.00 0.00 N ATOM 303 CA GLU B 21 18.224 -10.379 -17.019 1.00 0.00 C ATOM 304 C GLU B 21 18.090 -11.153 -18.324 1.00 0.00 C ATOM 305 O GLU B 21 17.060 -11.072 -18.983 1.00 0.00 O ATOM 306 CB GLU B 21 18.943 -9.057 -17.258 1.00 0.00 C ATOM 307 CG GLU B 21 18.853 -8.204 -15.998 1.00 0.00 C ATOM 308 CD GLU B 21 19.776 -6.991 -16.082 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.394 -6.019 -16.771 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.860 -7.043 -15.455 1.00 0.00 O ATOM 0 H GLU B 21 19.897 -10.751 -15.830 1.00 0.00 H new ATOM 0 HA GLU B 21 17.219 -10.194 -16.640 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.987 -9.238 -17.516 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.493 -8.532 -18.100 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.825 -7.872 -15.854 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.118 -8.806 -15.129 1.00 0.00 H new ATOM 317 N LYS B 22 19.117 -11.917 -18.709 1.00 0.00 N ATOM 318 CA LYS B 22 19.080 -12.651 -19.965 1.00 0.00 C ATOM 319 C LYS B 22 18.004 -13.729 -19.935 1.00 0.00 C ATOM 320 O LYS B 22 17.437 -14.073 -20.967 1.00 0.00 O ATOM 321 CB LYS B 22 20.463 -13.256 -20.219 1.00 0.00 C ATOM 322 CG LYS B 22 20.513 -14.089 -21.504 1.00 0.00 C ATOM 323 CD LYS B 22 19.960 -13.312 -22.696 1.00 0.00 C ATOM 324 CE LYS B 22 20.173 -14.117 -23.974 1.00 0.00 C ATOM 325 NZ LYS B 22 19.659 -13.392 -25.153 1.00 0.00 N ATOM 0 H LYS B 22 19.974 -12.039 -18.170 1.00 0.00 H new ATOM 0 HA LYS B 22 18.827 -11.971 -20.779 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.200 -12.456 -20.280 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.743 -13.883 -19.372 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.542 -14.385 -21.707 1.00 0.00 H new ATOM 0 HG3 LYS B 22 19.939 -15.005 -21.367 1.00 0.00 H new ATOM 0 HD2 LYS B 22 18.898 -13.113 -22.552 1.00 0.00 H new ATOM 0 HD3 LYS B 22 20.458 -12.346 -22.776 1.00 0.00 H new ATOM 0 HE2 LYS B 22 21.235 -14.322 -24.105 1.00 0.00 H new ATOM 0 HE3 LYS B 22 19.670 -15.080 -23.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 19.817 -13.963 -26.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 18.640 -13.218 -25.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 20.157 -12.484 -25.246 1.00 0.00 H new ATOM 339 N ALA B 23 17.713 -14.267 -18.753 1.00 0.00 N ATOM 340 CA ALA B 23 16.748 -15.344 -18.629 1.00 0.00 C ATOM 341 C ALA B 23 15.355 -14.739 -18.510 1.00 0.00 C ATOM 342 O ALA B 23 14.351 -15.393 -18.775 1.00 0.00 O ATOM 343 CB ALA B 23 17.100 -16.184 -17.404 1.00 0.00 C ATOM 0 H ALA B 23 18.134 -13.972 -17.872 1.00 0.00 H new ATOM 0 HA ALA B 23 16.769 -15.993 -19.505 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.381 -16.997 -17.301 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.101 -16.598 -17.522 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.070 -15.558 -16.512 1.00 0.00 H new ATOM 349 N LEU B 24 15.316 -13.469 -18.108 1.00 0.00 N ATOM 350 CA LEU B 24 14.107 -12.729 -17.830 1.00 0.00 C ATOM 351 C LEU B 24 13.619 -12.048 -19.105 1.00 0.00 C ATOM 352 O LEU B 24 12.426 -11.814 -19.275 1.00 0.00 O ATOM 353 CB LEU B 24 14.500 -11.720 -16.746 1.00 0.00 C ATOM 354 CG LEU B 24 13.989 -12.189 -15.392 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.706 -11.478 -14.255 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.502 -11.900 -15.274 1.00 0.00 C ATOM 0 H LEU B 24 16.161 -12.916 -17.965 1.00 0.00 H new ATOM 0 HA LEU B 24 13.285 -13.359 -17.489 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.584 -11.608 -16.717 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.085 -10.740 -16.981 1.00 0.00 H new ATOM 0 HG LEU B 24 14.179 -13.260 -15.320 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.318 -11.835 -13.301 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.775 -11.685 -14.313 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.540 -10.404 -14.335 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.142 -12.238 -14.302 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.331 -10.828 -15.372 1.00 0.00 H new ATOM 0 HD23 LEU B 24 11.965 -12.426 -16.063 1.00 0.00 H new ATOM 368 N GLU B 25 14.546 -11.735 -20.007 1.00 0.00 N ATOM 369 CA GLU B 25 14.182 -11.218 -21.314 1.00 0.00 C ATOM 370 C GLU B 25 13.819 -12.366 -22.242 1.00 0.00 C ATOM 371 O GLU B 25 13.031 -12.205 -23.172 1.00 0.00 O ATOM 372 CB GLU B 25 15.362 -10.474 -21.934 1.00 0.00 C ATOM 373 CG GLU B 25 15.618 -9.189 -21.171 1.00 0.00 C ATOM 374 CD GLU B 25 16.691 -8.345 -21.852 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.884 -8.676 -21.677 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.310 -7.373 -22.544 1.00 0.00 O ATOM 0 H GLU B 25 15.550 -11.831 -19.853 1.00 0.00 H new ATOM 0 HA GLU B 25 13.334 -10.544 -21.188 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.252 -11.103 -21.913 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.154 -10.251 -22.980 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.693 -8.616 -21.098 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.929 -9.424 -20.153 1.00 0.00 H new ATOM 383 N ALA B 26 14.409 -13.527 -21.972 1.00 0.00 N ATOM 384 CA ALA B 26 14.252 -14.704 -22.801 1.00 0.00 C ATOM 385 C ALA B 26 12.948 -15.433 -22.488 1.00 0.00 C ATOM 386 O ALA B 26 12.433 -16.172 -23.324 1.00 0.00 O ATOM 387 CB ALA B 26 15.431 -15.628 -22.530 1.00 0.00 C ATOM 0 H ALA B 26 15.013 -13.672 -21.163 1.00 0.00 H new ATOM 0 HA ALA B 26 14.221 -14.406 -23.849 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.339 -16.525 -23.142 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.360 -15.114 -22.777 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.440 -15.907 -21.476 1.00 0.00 H new ATOM 393 N VAL B 27 12.420 -15.226 -21.278 1.00 0.00 N ATOM 394 CA VAL B 27 11.238 -15.931 -20.811 1.00 0.00 C ATOM 395 C VAL B 27 9.975 -15.088 -20.907 1.00 0.00 C ATOM 396 O VAL B 27 8.898 -15.599 -21.196 1.00 0.00 O ATOM 397 CB VAL B 27 11.512 -16.350 -19.378 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.423 -15.181 -18.418 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.544 -17.417 -18.907 1.00 0.00 C ATOM 0 H VAL B 27 12.804 -14.566 -20.602 1.00 0.00 H new ATOM 0 HA VAL B 27 11.052 -16.797 -21.446 1.00 0.00 H new ATOM 0 HB VAL B 27 12.527 -16.747 -19.378 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.626 -15.526 -17.404 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.156 -14.424 -18.697 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.423 -14.750 -18.461 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.775 -17.689 -17.877 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.525 -17.034 -18.962 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.635 -18.297 -19.543 1.00 0.00 H new ATOM 409 N PHE B 28 10.102 -13.785 -20.667 1.00 0.00 N ATOM 410 CA PHE B 28 8.979 -12.875 -20.814 1.00 0.00 C ATOM 411 C PHE B 28 8.940 -12.277 -22.214 1.00 0.00 C ATOM 412 O PHE B 28 7.952 -11.649 -22.589 1.00 0.00 O ATOM 413 CB PHE B 28 9.008 -11.805 -19.727 1.00 0.00 C ATOM 414 CG PHE B 28 8.720 -12.361 -18.356 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.397 -12.601 -17.956 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.775 -12.642 -17.482 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.137 -13.136 -16.690 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.518 -13.186 -16.218 1.00 0.00 C ATOM 419 CZ PHE B 28 8.198 -13.429 -15.822 1.00 0.00 C ATOM 0 H PHE B 28 10.971 -13.341 -20.371 1.00 0.00 H new ATOM 0 HA PHE B 28 8.055 -13.439 -20.687 1.00 0.00 H new ATOM 0 HB2 PHE B 28 9.986 -11.325 -19.722 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.275 -11.033 -19.963 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.580 -12.373 -18.625 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.792 -12.439 -17.783 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.119 -13.323 -16.381 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.335 -13.417 -15.551 1.00 0.00 H new ATOM 0 HZ PHE B 28 7.996 -13.843 -14.845 1.00 0.00 H new ATOM 429 N GLY B 29 10.007 -12.473 -22.994 1.00 0.00 N ATOM 430 CA GLY B 29 10.028 -12.013 -24.377 1.00 0.00 C ATOM 431 C GLY B 29 9.203 -12.947 -25.259 1.00 0.00 C ATOM 432 O GLY B 29 9.049 -12.709 -26.456 1.00 0.00 O ATOM 0 H GLY B 29 10.859 -12.944 -22.690 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.630 -11.000 -24.436 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.055 -11.974 -24.739 1.00 0.00 H new ATOM 436 N LYS B 30 8.673 -14.011 -24.649 1.00 0.00 N ATOM 437 CA LYS B 30 7.877 -15.028 -25.315 1.00 0.00 C ATOM 438 C LYS B 30 6.433 -14.578 -25.474 1.00 0.00 C ATOM 439 O LYS B 30 5.660 -15.208 -26.191 1.00 0.00 O ATOM 440 CB LYS B 30 7.945 -16.299 -24.461 1.00 0.00 C ATOM 441 CG LYS B 30 9.403 -16.712 -24.250 1.00 0.00 C ATOM 442 CD LYS B 30 9.548 -17.895 -23.287 1.00 0.00 C ATOM 443 CE LYS B 30 8.678 -19.089 -23.676 1.00 0.00 C ATOM 444 NZ LYS B 30 9.069 -19.643 -24.989 1.00 0.00 N ATOM 0 H LYS B 30 8.793 -14.187 -23.652 1.00 0.00 H new ATOM 0 HA LYS B 30 8.269 -15.211 -26.315 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.465 -16.126 -23.498 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.398 -17.105 -24.950 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.845 -16.975 -25.211 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.965 -15.862 -23.863 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.592 -18.207 -23.258 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.283 -17.572 -22.280 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.761 -19.864 -22.914 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.632 -18.783 -23.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.480 -20.472 -25.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.933 -18.921 -25.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.069 -19.926 -24.962 1.00 0.00 H new ATOM 458 N TYR B 31 6.088 -13.485 -24.798 1.00 0.00 N ATOM 459 CA TYR B 31 4.738 -12.949 -24.780 1.00 0.00 C ATOM 460 C TYR B 31 4.638 -11.585 -25.460 1.00 0.00 C ATOM 461 O TYR B 31 3.542 -11.169 -25.831 1.00 0.00 O ATOM 462 CB TYR B 31 4.310 -12.855 -23.317 1.00 0.00 C ATOM 463 CG TYR B 31 4.409 -14.183 -22.600 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.452 -15.176 -22.839 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.466 -14.418 -21.703 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.569 -16.425 -22.213 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.581 -15.665 -21.061 1.00 0.00 C ATOM 468 CZ TYR B 31 4.647 -16.684 -21.347 1.00 0.00 C ATOM 469 OH TYR B 31 4.776 -17.924 -20.795 1.00 0.00 O ATOM 0 H TYR B 31 6.749 -12.943 -24.242 1.00 0.00 H new ATOM 0 HA TYR B 31 4.080 -13.609 -25.344 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.934 -12.122 -22.805 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.283 -12.493 -23.264 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.624 -14.980 -23.505 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.190 -13.641 -21.507 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.829 -17.190 -22.396 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.378 -15.841 -20.354 1.00 0.00 H new ATOM 0 HH TYR B 31 5.700 -18.054 -20.494 1.00 0.00 H new ATOM 479 N GLY B 32 5.766 -10.887 -25.627 1.00 0.00 N ATOM 480 CA GLY B 32 5.782 -9.575 -26.254 1.00 0.00 C ATOM 481 C GLY B 32 7.191 -9.058 -26.434 1.00 0.00 C ATOM 482 O GLY B 32 8.120 -9.534 -25.781 1.00 0.00 O ATOM 0 H GLY B 32 6.684 -11.219 -25.331 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.288 -9.629 -27.224 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.212 -8.874 -25.645 1.00 0.00 H new ATOM 486 N ARG B 33 7.349 -8.076 -27.325 1.00 0.00 N ATOM 487 CA ARG B 33 8.652 -7.470 -27.494 1.00 0.00 C ATOM 488 C ARG B 33 8.918 -6.609 -26.270 1.00 0.00 C ATOM 489 O ARG B 33 8.144 -5.721 -25.916 1.00 0.00 O ATOM 490 CB ARG B 33 8.784 -6.737 -28.831 1.00 0.00 C ATOM 491 CG ARG B 33 8.010 -5.424 -28.866 1.00 0.00 C ATOM 492 CD ARG B 33 8.179 -4.773 -30.233 1.00 0.00 C ATOM 493 NE ARG B 33 7.496 -3.477 -30.290 1.00 0.00 N ATOM 494 CZ ARG B 33 7.285 -2.776 -31.409 1.00 0.00 C ATOM 495 NH1 ARG B 33 7.686 -3.240 -32.586 1.00 0.00 N ATOM 496 NH2 ARG B 33 6.668 -1.599 -31.350 1.00 0.00 N ATOM 0 H ARG B 33 6.610 -7.699 -27.919 1.00 0.00 H new ATOM 0 HA ARG B 33 9.429 -8.232 -27.553 1.00 0.00 H new ATOM 0 HB2 ARG B 33 9.837 -6.537 -29.028 1.00 0.00 H new ATOM 0 HB3 ARG B 33 8.427 -7.385 -29.632 1.00 0.00 H new ATOM 0 HG2 ARG B 33 6.954 -5.606 -28.666 1.00 0.00 H new ATOM 0 HG3 ARG B 33 8.372 -4.755 -28.085 1.00 0.00 H new ATOM 0 HD2 ARG B 33 9.239 -4.638 -30.446 1.00 0.00 H new ATOM 0 HD3 ARG B 33 7.780 -5.432 -31.004 1.00 0.00 H new ATOM 0 HE ARG B 33 7.157 -3.082 -29.413 1.00 0.00 H new ATOM 0 HH11 ARG B 33 8.161 -4.141 -32.644 1.00 0.00 H new ATOM 0 HH12 ARG B 33 7.519 -2.696 -33.432 1.00 0.00 H new ATOM 0 HH21 ARG B 33 6.356 -1.231 -30.451 1.00 0.00 H new ATOM 0 HH22 ARG B 33 6.507 -1.064 -32.204 1.00 0.00 H new ATOM 510 N ILE B 34 10.039 -6.904 -25.630 1.00 0.00 N ATOM 511 CA ILE B 34 10.483 -6.217 -24.428 1.00 0.00 C ATOM 512 C ILE B 34 11.136 -4.891 -24.789 1.00 0.00 C ATOM 513 O ILE B 34 11.823 -4.790 -25.805 1.00 0.00 O ATOM 514 CB ILE B 34 11.411 -7.143 -23.637 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.572 -8.312 -23.105 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.094 -6.395 -22.494 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.398 -9.287 -22.269 1.00 0.00 C ATOM 0 H ILE B 34 10.676 -7.639 -25.937 1.00 0.00 H new ATOM 0 HA ILE B 34 9.632 -5.977 -23.790 1.00 0.00 H new ATOM 0 HB ILE B 34 12.203 -7.516 -24.286 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.753 -7.922 -22.500 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.124 -8.845 -23.943 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.746 -7.078 -21.951 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.685 -5.574 -22.899 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.338 -5.998 -21.816 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.758 -10.096 -21.916 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.201 -9.700 -22.879 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.825 -8.762 -21.414 1.00 0.00 H new ATOM 529 N VAL B 35 10.916 -3.880 -23.947 1.00 0.00 N ATOM 530 CA VAL B 35 11.505 -2.560 -24.111 1.00 0.00 C ATOM 531 C VAL B 35 12.494 -2.285 -22.985 1.00 0.00 C ATOM 532 O VAL B 35 13.393 -1.463 -23.147 1.00 0.00 O ATOM 533 CB VAL B 35 10.416 -1.476 -24.158 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.536 -0.697 -25.464 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.994 -2.033 -24.071 1.00 0.00 C ATOM 0 H VAL B 35 10.317 -3.961 -23.125 1.00 0.00 H new ATOM 0 HA VAL B 35 12.041 -2.535 -25.060 1.00 0.00 H new ATOM 0 HB VAL B 35 10.578 -0.842 -23.286 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.765 0.073 -25.501 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.519 -0.229 -25.520 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.410 -1.377 -26.306 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.278 -1.212 -24.110 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.816 -2.709 -24.907 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.873 -2.576 -23.134 1.00 0.00 H new ATOM 545 N GLU B 36 12.329 -2.967 -21.849 1.00 0.00 N ATOM 546 CA GLU B 36 13.240 -2.857 -20.717 1.00 0.00 C ATOM 547 C GLU B 36 13.062 -4.066 -19.800 1.00 0.00 C ATOM 548 O GLU B 36 11.972 -4.624 -19.723 1.00 0.00 O ATOM 549 CB GLU B 36 12.936 -1.564 -19.955 1.00 0.00 C ATOM 550 CG GLU B 36 13.855 -1.395 -18.747 1.00 0.00 C ATOM 551 CD GLU B 36 13.673 -0.019 -18.113 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.314 0.937 -18.607 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.895 0.069 -17.137 1.00 0.00 O ATOM 0 H GLU B 36 11.555 -3.613 -21.692 1.00 0.00 H new ATOM 0 HA GLU B 36 14.271 -2.832 -21.069 1.00 0.00 H new ATOM 0 HB2 GLU B 36 13.052 -0.711 -20.624 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.897 -1.571 -19.625 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.641 -2.170 -18.011 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.893 -1.524 -19.054 1.00 0.00 H new ATOM 560 N VAL B 37 14.124 -4.471 -19.101 1.00 0.00 N ATOM 561 CA VAL B 37 14.037 -5.494 -18.071 1.00 0.00 C ATOM 562 C VAL B 37 14.855 -5.078 -16.858 1.00 0.00 C ATOM 563 O VAL B 37 15.888 -4.423 -16.979 1.00 0.00 O ATOM 564 CB VAL B 37 14.455 -6.879 -18.597 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.098 -7.761 -17.525 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.210 -7.615 -19.078 1.00 0.00 C ATOM 0 H VAL B 37 15.063 -4.097 -19.236 1.00 0.00 H new ATOM 0 HA VAL B 37 12.994 -5.587 -17.768 1.00 0.00 H new ATOM 0 HB VAL B 37 15.183 -6.705 -19.389 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.370 -8.723 -17.960 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.992 -7.272 -17.140 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.391 -7.918 -16.711 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.491 -8.599 -19.454 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.512 -7.729 -18.249 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.735 -7.044 -19.876 1.00 0.00 H new ATOM 576 N LEU B 38 14.363 -5.475 -15.687 1.00 0.00 N ATOM 577 CA LEU B 38 15.027 -5.269 -14.413 1.00 0.00 C ATOM 578 C LEU B 38 15.252 -6.621 -13.772 1.00 0.00 C ATOM 579 O LEU B 38 14.526 -7.577 -14.031 1.00 0.00 O ATOM 580 CB LEU B 38 14.123 -4.425 -13.530 1.00 0.00 C ATOM 581 CG LEU B 38 14.471 -2.936 -13.595 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.360 -2.129 -12.934 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.776 -2.635 -12.864 1.00 0.00 C ATOM 0 H LEU B 38 13.470 -5.960 -15.601 1.00 0.00 H new ATOM 0 HA LEU B 38 15.982 -4.762 -14.547 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.086 -4.567 -13.835 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.202 -4.769 -12.499 1.00 0.00 H new ATOM 0 HG LEU B 38 14.582 -2.666 -14.645 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.605 -1.068 -12.979 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.420 -2.307 -13.457 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.259 -2.434 -11.893 1.00 0.00 H new ATOM 0 HD21 LEU B 38 15.993 -1.569 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.681 -2.922 -11.817 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.588 -3.199 -13.322 1.00 0.00 H new ATOM 595 N LEU B 39 16.275 -6.688 -12.928 1.00 0.00 N ATOM 596 CA LEU B 39 16.529 -7.858 -12.131 1.00 0.00 C ATOM 597 C LEU B 39 17.221 -7.359 -10.877 1.00 0.00 C ATOM 598 O LEU B 39 18.301 -6.773 -10.955 1.00 0.00 O ATOM 599 CB LEU B 39 17.382 -8.821 -12.959 1.00 0.00 C ATOM 600 CG LEU B 39 17.832 -10.112 -12.269 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.098 -9.896 -11.445 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.758 -10.742 -11.393 1.00 0.00 C ATOM 0 H LEU B 39 16.943 -5.930 -12.785 1.00 0.00 H new ATOM 0 HA LEU B 39 15.633 -8.407 -11.843 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.819 -9.092 -13.852 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.271 -8.286 -13.293 1.00 0.00 H new ATOM 0 HG LEU B 39 18.039 -10.809 -13.081 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.387 -10.833 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.903 -9.556 -12.097 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.909 -9.144 -10.679 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.148 -11.652 -10.937 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.468 -10.040 -10.611 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.888 -10.986 -12.003 1.00 0.00 H new ATOM 614 N MET B 40 16.599 -7.585 -9.721 1.00 0.00 N ATOM 615 CA MET B 40 17.083 -6.964 -8.504 1.00 0.00 C ATOM 616 C MET B 40 18.060 -7.890 -7.804 1.00 0.00 C ATOM 617 O MET B 40 17.822 -9.092 -7.720 1.00 0.00 O ATOM 618 CB MET B 40 15.919 -6.552 -7.596 1.00 0.00 C ATOM 619 CG MET B 40 14.749 -5.893 -8.332 1.00 0.00 C ATOM 620 SD MET B 40 15.134 -4.952 -9.835 1.00 0.00 S ATOM 621 CE MET B 40 16.271 -3.706 -9.188 1.00 0.00 C ATOM 0 H MET B 40 15.778 -8.180 -9.608 1.00 0.00 H new ATOM 0 HA MET B 40 17.617 -6.049 -8.759 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.552 -7.435 -7.072 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.291 -5.863 -6.838 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.035 -6.673 -8.596 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.246 -5.223 -7.634 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.943 -2.715 -9.503 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.283 -3.755 -8.099 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.274 -3.895 -9.571 1.00 0.00 H new ATOM 631 N LYS B 41 19.163 -7.332 -7.297 1.00 0.00 N ATOM 632 CA LYS B 41 20.153 -8.094 -6.549 1.00 0.00 C ATOM 633 C LYS B 41 20.820 -7.237 -5.483 1.00 0.00 C ATOM 634 O LYS B 41 20.896 -6.015 -5.600 1.00 0.00 O ATOM 635 CB LYS B 41 21.210 -8.730 -7.463 1.00 0.00 C ATOM 636 CG LYS B 41 21.328 -8.057 -8.827 1.00 0.00 C ATOM 637 CD LYS B 41 22.546 -8.593 -9.577 1.00 0.00 C ATOM 638 CE LYS B 41 22.534 -8.027 -10.996 1.00 0.00 C ATOM 639 NZ LYS B 41 23.688 -8.514 -11.778 1.00 0.00 N ATOM 0 H LYS B 41 19.390 -6.342 -7.396 1.00 0.00 H new ATOM 0 HA LYS B 41 19.615 -8.904 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.179 -8.692 -6.964 1.00 0.00 H new ATOM 0 HB3 LYS B 41 20.967 -9.783 -7.607 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.425 -8.238 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.415 -6.978 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.463 -8.305 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.524 -9.682 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.608 -8.311 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.553 -6.938 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.652 -8.112 -12.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.571 -8.221 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.655 -9.552 -11.836 1.00 0.00 H new ATOM 765 N ARG B 49 17.604 -10.589 -5.414 1.00 0.00 N ATOM 766 CA ARG B 49 16.720 -10.283 -4.295 1.00 0.00 C ATOM 767 C ARG B 49 15.539 -11.249 -4.289 1.00 0.00 C ATOM 768 O ARG B 49 14.766 -11.278 -3.333 1.00 0.00 O ATOM 769 CB ARG B 49 16.192 -8.861 -4.473 1.00 0.00 C ATOM 770 CG ARG B 49 17.268 -7.777 -4.446 1.00 0.00 C ATOM 771 CD ARG B 49 17.590 -7.284 -3.039 1.00 0.00 C ATOM 772 NE ARG B 49 16.444 -6.591 -2.439 1.00 0.00 N ATOM 773 CZ ARG B 49 16.125 -5.323 -2.716 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.883 -4.608 -3.540 1.00 0.00 N ATOM 775 NH2 ARG B 49 15.050 -4.765 -2.169 1.00 0.00 N ATOM 0 HA ARG B 49 17.268 -10.377 -3.357 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.658 -8.801 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.467 -8.655 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.177 -8.165 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.940 -6.933 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.875 -8.129 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.446 -6.611 -3.075 1.00 0.00 H new ATOM 0 HE ARG B 49 15.861 -7.103 -1.777 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.711 -5.026 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG B 49 16.637 -3.641 -3.749 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.463 -5.305 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.812 -3.797 -2.385 1.00 0.00 H new ATOM 789 N GLY B 50 15.407 -12.034 -5.359 1.00 0.00 N ATOM 790 CA GLY B 50 14.304 -12.965 -5.535 1.00 0.00 C ATOM 791 C GLY B 50 13.118 -12.309 -6.243 1.00 0.00 C ATOM 792 O GLY B 50 12.107 -12.970 -6.458 1.00 0.00 O ATOM 0 H GLY B 50 16.072 -12.038 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.642 -13.825 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY B 50 13.985 -13.340 -4.562 1.00 0.00 H new ATOM 796 N PHE B 51 13.225 -11.029 -6.610 1.00 0.00 N ATOM 797 CA PHE B 51 12.179 -10.361 -7.374 1.00 0.00 C ATOM 798 C PHE B 51 12.792 -9.511 -8.484 1.00 0.00 C ATOM 799 O PHE B 51 13.963 -9.138 -8.418 1.00 0.00 O ATOM 800 CB PHE B 51 11.256 -9.559 -6.456 1.00 0.00 C ATOM 801 CG PHE B 51 11.835 -8.284 -5.886 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.706 -8.327 -4.787 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.489 -7.048 -6.450 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.221 -7.132 -4.255 1.00 0.00 C ATOM 805 CE2 PHE B 51 11.990 -5.861 -5.910 1.00 0.00 C ATOM 806 CZ PHE B 51 12.864 -5.901 -4.823 1.00 0.00 C ATOM 0 H PHE B 51 14.027 -10.439 -6.388 1.00 0.00 H new ATOM 0 HA PHE B 51 11.555 -11.115 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.352 -9.308 -7.011 1.00 0.00 H new ATOM 0 HB3 PHE B 51 10.954 -10.200 -5.628 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.980 -9.276 -4.351 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.832 -7.013 -7.306 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.892 -7.162 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.700 -4.911 -6.334 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.266 -4.983 -4.419 1.00 0.00 H new ATOM 816 N ALA B 52 11.996 -9.210 -9.510 1.00 0.00 N ATOM 817 CA ALA B 52 12.458 -8.483 -10.679 1.00 0.00 C ATOM 818 C ALA B 52 11.293 -7.782 -11.375 1.00 0.00 C ATOM 819 O ALA B 52 10.153 -7.869 -10.922 1.00 0.00 O ATOM 820 CB ALA B 52 13.103 -9.492 -11.629 1.00 0.00 C ATOM 0 H ALA B 52 11.010 -9.467 -9.548 1.00 0.00 H new ATOM 0 HA ALA B 52 13.176 -7.718 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.461 -8.976 -12.520 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.941 -9.978 -11.129 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.367 -10.243 -11.916 1.00 0.00 H new ATOM 826 N PHE B 53 11.583 -7.083 -12.476 1.00 0.00 N ATOM 827 CA PHE B 53 10.573 -6.373 -13.243 1.00 0.00 C ATOM 828 C PHE B 53 10.865 -6.490 -14.735 1.00 0.00 C ATOM 829 O PHE B 53 11.980 -6.820 -15.132 1.00 0.00 O ATOM 830 CB PHE B 53 10.523 -4.900 -12.816 1.00 0.00 C ATOM 831 CG PHE B 53 10.251 -4.686 -11.352 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.299 -4.810 -10.435 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.960 -4.368 -10.916 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.051 -4.636 -9.067 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.709 -4.199 -9.546 1.00 0.00 C ATOM 836 CZ PHE B 53 9.754 -4.341 -8.622 1.00 0.00 C ATOM 0 H PHE B 53 12.526 -6.998 -12.855 1.00 0.00 H new ATOM 0 HA PHE B 53 9.600 -6.823 -13.046 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.473 -4.429 -13.069 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.751 -4.393 -13.394 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.296 -5.039 -10.780 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.159 -4.253 -11.632 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.858 -4.729 -8.356 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.713 -3.960 -9.204 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.560 -4.223 -7.566 1.00 0.00 H new ATOM 846 N VAL B 54 9.861 -6.222 -15.567 1.00 0.00 N ATOM 847 CA VAL B 54 10.013 -6.248 -17.017 1.00 0.00 C ATOM 848 C VAL B 54 9.003 -5.304 -17.643 1.00 0.00 C ATOM 849 O VAL B 54 7.867 -5.224 -17.184 1.00 0.00 O ATOM 850 CB VAL B 54 9.833 -7.675 -17.552 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.591 -8.342 -17.034 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.818 -7.723 -19.080 1.00 0.00 C ATOM 0 H VAL B 54 8.921 -5.981 -15.254 1.00 0.00 H new ATOM 0 HA VAL B 54 11.018 -5.919 -17.281 1.00 0.00 H new ATOM 0 HB VAL B 54 10.700 -8.223 -17.183 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.519 -9.348 -17.447 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.635 -8.399 -15.946 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.716 -7.764 -17.332 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.688 -8.754 -19.410 1.00 0.00 H new ATOM 0 HG22 VAL B 54 8.994 -7.115 -19.455 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.761 -7.334 -19.466 1.00 0.00 H new ATOM 862 N THR B 55 9.415 -4.589 -18.694 1.00 0.00 N ATOM 863 CA THR B 55 8.534 -3.685 -19.416 1.00 0.00 C ATOM 864 C THR B 55 8.295 -4.195 -20.827 1.00 0.00 C ATOM 865 O THR B 55 9.236 -4.386 -21.597 1.00 0.00 O ATOM 866 CB THR B 55 9.096 -2.265 -19.458 1.00 0.00 C ATOM 867 OG1 THR B 55 9.391 -1.824 -18.151 1.00 0.00 O ATOM 868 CG2 THR B 55 8.054 -1.329 -20.075 1.00 0.00 C ATOM 0 H THR B 55 10.366 -4.625 -19.062 1.00 0.00 H new ATOM 0 HA THR B 55 7.585 -3.653 -18.881 1.00 0.00 H new ATOM 0 HB THR B 55 10.007 -2.259 -20.056 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.752 -0.914 -18.187 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.450 -0.314 -20.107 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.821 -1.660 -21.087 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.147 -1.345 -19.471 1.00 0.00 H new ATOM 876 N PHE B 56 7.021 -4.410 -21.150 1.00 0.00 N ATOM 877 CA PHE B 56 6.576 -4.791 -22.474 1.00 0.00 C ATOM 878 C PHE B 56 6.200 -3.562 -23.292 1.00 0.00 C ATOM 879 O PHE B 56 5.882 -2.508 -22.740 1.00 0.00 O ATOM 880 CB PHE B 56 5.362 -5.704 -22.335 1.00 0.00 C ATOM 881 CG PHE B 56 5.674 -7.079 -21.799 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.177 -7.269 -20.501 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.450 -8.184 -22.627 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.449 -8.566 -20.039 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.702 -9.475 -22.158 1.00 0.00 C ATOM 886 CZ PHE B 56 6.189 -9.670 -20.861 1.00 0.00 C ATOM 0 H PHE B 56 6.259 -4.320 -20.478 1.00 0.00 H new ATOM 0 HA PHE B 56 7.385 -5.309 -22.989 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.637 -5.226 -21.676 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.887 -5.807 -23.310 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.354 -6.418 -19.860 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.081 -8.038 -23.632 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.858 -8.713 -19.050 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.520 -10.325 -22.798 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.364 -10.671 -20.494 1.00 0.00 H new ATOM 896 N GLU B 57 6.233 -3.693 -24.620 1.00 0.00 N ATOM 897 CA GLU B 57 5.810 -2.624 -25.508 1.00 0.00 C ATOM 898 C GLU B 57 4.289 -2.589 -25.613 1.00 0.00 C ATOM 899 O GLU B 57 3.729 -1.559 -25.980 1.00 0.00 O ATOM 900 CB GLU B 57 6.428 -2.846 -26.885 1.00 0.00 C ATOM 901 CG GLU B 57 7.361 -1.707 -27.278 1.00 0.00 C ATOM 902 CD GLU B 57 6.574 -0.471 -27.707 1.00 0.00 C ATOM 903 OE1 GLU B 57 6.079 -0.487 -28.858 1.00 0.00 O ATOM 904 OE2 GLU B 57 6.472 0.471 -26.891 1.00 0.00 O ATOM 0 H GLU B 57 6.551 -4.535 -25.099 1.00 0.00 H new ATOM 0 HA GLU B 57 6.145 -1.668 -25.107 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.980 -3.786 -26.888 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.636 -2.940 -27.628 1.00 0.00 H new ATOM 0 HG2 GLU B 57 8.007 -1.456 -26.437 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.009 -2.029 -28.093 1.00 0.00 H new ATOM 911 N SER B 58 3.617 -3.703 -25.291 1.00 0.00 N ATOM 912 CA SER B 58 2.169 -3.721 -25.254 1.00 0.00 C ATOM 913 C SER B 58 1.712 -4.044 -23.841 1.00 0.00 C ATOM 914 O SER B 58 2.293 -4.908 -23.188 1.00 0.00 O ATOM 915 CB SER B 58 1.639 -4.728 -26.267 1.00 0.00 C ATOM 916 OG SER B 58 0.242 -4.889 -26.116 1.00 0.00 O ATOM 0 H SER B 58 4.059 -4.591 -25.056 1.00 0.00 H new ATOM 0 HA SER B 58 1.771 -2.743 -25.526 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.866 -4.390 -27.278 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.139 -5.687 -26.132 1.00 0.00 H new ATOM 0 HG SER B 58 -0.086 -5.537 -26.774 1.00 0.00 H new ATOM 922 N PRO B 59 0.668 -3.359 -23.357 1.00 0.00 N ATOM 923 CA PRO B 59 0.165 -3.550 -22.017 1.00 0.00 C ATOM 924 C PRO B 59 -0.603 -4.858 -21.920 1.00 0.00 C ATOM 925 O PRO B 59 -0.994 -5.236 -20.821 1.00 0.00 O ATOM 926 CB PRO B 59 -0.781 -2.377 -21.786 1.00 0.00 C ATOM 927 CG PRO B 59 -1.348 -2.153 -23.180 1.00 0.00 C ATOM 928 CD PRO B 59 -0.113 -2.357 -24.054 1.00 0.00 C ATOM 0 HA PRO B 59 0.968 -3.592 -21.281 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.560 -2.617 -21.062 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.257 -1.497 -21.412 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.140 -2.863 -23.419 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.770 -1.155 -23.295 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.387 -2.693 -25.054 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.447 -1.429 -24.171 1.00 0.00 H new ATOM 936 N ALA B 60 -0.822 -5.548 -23.046 1.00 0.00 N ATOM 937 CA ALA B 60 -1.578 -6.787 -23.062 1.00 0.00 C ATOM 938 C ALA B 60 -0.687 -7.970 -23.424 1.00 0.00 C ATOM 939 O ALA B 60 -1.072 -9.119 -23.217 1.00 0.00 O ATOM 940 CB ALA B 60 -2.770 -6.646 -23.999 1.00 0.00 C ATOM 0 H ALA B 60 -0.479 -5.258 -23.962 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.961 -6.989 -22.062 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.336 -7.577 -24.010 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.411 -5.835 -23.653 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.417 -6.424 -25.006 1.00 0.00 H new ATOM 946 N ASP B 61 0.508 -7.701 -23.954 1.00 0.00 N ATOM 947 CA ASP B 61 1.507 -8.740 -24.110 1.00 0.00 C ATOM 948 C ASP B 61 2.020 -9.084 -22.715 1.00 0.00 C ATOM 949 O ASP B 61 2.444 -10.207 -22.454 1.00 0.00 O ATOM 950 CB ASP B 61 2.650 -8.226 -24.978 1.00 0.00 C ATOM 951 CG ASP B 61 2.300 -8.123 -26.460 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.148 -8.458 -26.821 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.196 -7.704 -27.231 1.00 0.00 O ATOM 0 H ASP B 61 0.798 -6.778 -24.278 1.00 0.00 H new ATOM 0 HA ASP B 61 1.084 -9.622 -24.592 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.954 -7.244 -24.617 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.508 -8.888 -24.862 1.00 0.00 H new ATOM 958 N ALA B 62 1.971 -8.095 -21.814 1.00 0.00 N ATOM 959 CA ALA B 62 2.321 -8.290 -20.424 1.00 0.00 C ATOM 960 C ALA B 62 1.184 -8.987 -19.682 1.00 0.00 C ATOM 961 O ALA B 62 1.438 -9.730 -18.737 1.00 0.00 O ATOM 962 CB ALA B 62 2.613 -6.930 -19.802 1.00 0.00 C ATOM 0 H ALA B 62 1.686 -7.142 -22.040 1.00 0.00 H new ATOM 0 HA ALA B 62 3.205 -8.924 -20.350 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.879 -7.059 -18.753 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.441 -6.458 -20.331 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.728 -6.298 -19.877 1.00 0.00 H new ATOM 968 N LYS B 63 -0.069 -8.767 -20.101 1.00 0.00 N ATOM 969 CA LYS B 63 -1.201 -9.465 -19.511 1.00 0.00 C ATOM 970 C LYS B 63 -1.137 -10.930 -19.899 1.00 0.00 C ATOM 971 O LYS B 63 -1.437 -11.796 -19.086 1.00 0.00 O ATOM 972 CB LYS B 63 -2.520 -8.879 -20.017 1.00 0.00 C ATOM 973 CG LYS B 63 -2.762 -7.487 -19.432 1.00 0.00 C ATOM 974 CD LYS B 63 -3.980 -6.810 -20.065 1.00 0.00 C ATOM 975 CE LYS B 63 -5.236 -7.653 -19.833 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.423 -7.012 -20.430 1.00 0.00 N ATOM 0 H LYS B 63 -0.316 -8.113 -20.843 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.155 -9.353 -18.428 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.503 -8.822 -21.105 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.343 -9.540 -19.745 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.908 -7.566 -18.355 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.879 -6.868 -19.589 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.116 -5.817 -19.637 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.816 -6.676 -21.134 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.098 -8.644 -20.265 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.393 -7.791 -18.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.261 -7.604 -20.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.566 -6.076 -19.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.280 -6.903 -21.454 1.00 0.00 H new ATOM 990 N ASP B 64 -0.748 -11.211 -21.142 1.00 0.00 N ATOM 991 CA ASP B 64 -0.702 -12.574 -21.636 1.00 0.00 C ATOM 992 C ASP B 64 0.395 -13.352 -20.924 1.00 0.00 C ATOM 993 O ASP B 64 0.265 -14.558 -20.711 1.00 0.00 O ATOM 994 CB ASP B 64 -0.428 -12.521 -23.135 1.00 0.00 C ATOM 995 CG ASP B 64 -0.632 -13.879 -23.799 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.769 -14.397 -23.721 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.346 -14.392 -24.383 1.00 0.00 O ATOM 0 H ASP B 64 -0.461 -10.507 -21.822 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.649 -13.079 -21.446 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.087 -11.787 -23.599 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.594 -12.183 -23.305 1.00 0.00 H new ATOM 1002 N ALA B 65 1.474 -12.665 -20.551 1.00 0.00 N ATOM 1003 CA ALA B 65 2.529 -13.279 -19.763 1.00 0.00 C ATOM 1004 C ALA B 65 2.083 -13.419 -18.314 1.00 0.00 C ATOM 1005 O ALA B 65 2.294 -14.455 -17.693 1.00 0.00 O ATOM 1006 CB ALA B 65 3.785 -12.418 -19.832 1.00 0.00 C ATOM 0 H ALA B 65 1.636 -11.685 -20.784 1.00 0.00 H new ATOM 0 HA ALA B 65 2.745 -14.269 -20.165 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.576 -12.880 -19.240 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.111 -12.332 -20.869 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.568 -11.426 -19.436 1.00 0.00 H new ATOM 1012 N ALA B 66 1.457 -12.375 -17.765 1.00 0.00 N ATOM 1013 CA ALA B 66 1.022 -12.380 -16.379 1.00 0.00 C ATOM 1014 C ALA B 66 -0.169 -13.320 -16.177 1.00 0.00 C ATOM 1015 O ALA B 66 -0.587 -13.564 -15.047 1.00 0.00 O ATOM 1016 CB ALA B 66 0.702 -10.937 -15.977 1.00 0.00 C ATOM 0 H ALA B 66 1.242 -11.514 -18.268 1.00 0.00 H new ATOM 0 HA ALA B 66 1.814 -12.762 -15.734 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.372 -10.913 -14.938 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.595 -10.322 -16.088 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.089 -10.548 -16.618 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.713 -13.849 -17.280 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.773 -14.849 -17.280 1.00 0.00 C ATOM 1024 C ARG B 67 -1.257 -16.243 -17.638 1.00 0.00 C ATOM 1025 O ARG B 67 -2.058 -17.163 -17.780 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.864 -14.412 -18.260 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.613 -13.195 -17.711 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.498 -12.556 -18.780 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.519 -13.492 -19.269 1.00 0.00 N ATOM 1030 CZ ARG B 67 -6.691 -13.716 -18.663 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -7.015 -13.075 -17.541 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -7.548 -14.588 -19.182 1.00 0.00 N ATOM 0 H ARG B 67 -0.416 -13.582 -18.219 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.179 -14.918 -16.271 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.420 -14.169 -19.225 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.562 -15.232 -18.428 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.226 -13.496 -16.861 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.897 -12.461 -17.343 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.983 -11.670 -18.370 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.880 -12.224 -19.614 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.322 -14.006 -20.128 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -6.366 -12.403 -17.132 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -7.912 -13.257 -17.091 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -7.312 -15.085 -20.041 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -8.442 -14.760 -18.722 1.00 0.00 H new ATOM 1046 N ASP B 68 0.060 -16.419 -17.788 1.00 0.00 N ATOM 1047 CA ASP B 68 0.630 -17.679 -18.208 1.00 0.00 C ATOM 1048 C ASP B 68 1.736 -18.085 -17.253 1.00 0.00 C ATOM 1049 O ASP B 68 1.763 -19.195 -16.730 1.00 0.00 O ATOM 1050 CB ASP B 68 1.273 -17.453 -19.570 1.00 0.00 C ATOM 1051 CG ASP B 68 0.431 -18.025 -20.707 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.731 -17.583 -20.855 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.955 -18.907 -21.425 1.00 0.00 O ATOM 0 H ASP B 68 0.750 -15.687 -17.619 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.143 -18.447 -18.235 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.417 -16.384 -19.729 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.261 -17.914 -19.584 1.00 0.00 H new ATOM 1058 N MET B 69 2.646 -17.136 -17.048 1.00 0.00 N ATOM 1059 CA MET B 69 3.841 -17.286 -16.257 1.00 0.00 C ATOM 1060 C MET B 69 3.577 -17.069 -14.768 1.00 0.00 C ATOM 1061 O MET B 69 4.449 -17.342 -13.945 1.00 0.00 O ATOM 1062 CB MET B 69 4.826 -16.263 -16.803 1.00 0.00 C ATOM 1063 CG MET B 69 5.751 -16.865 -17.853 1.00 0.00 C ATOM 1064 SD MET B 69 6.760 -18.264 -17.304 1.00 0.00 S ATOM 1065 CE MET B 69 7.616 -17.424 -15.958 1.00 0.00 C ATOM 0 H MET B 69 2.556 -16.204 -17.452 1.00 0.00 H new ATOM 0 HA MET B 69 4.233 -18.300 -16.331 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.277 -15.428 -17.239 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.421 -15.860 -15.984 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.146 -17.188 -18.701 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.416 -16.082 -18.216 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.642 -17.788 -15.896 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.623 -16.350 -16.145 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.102 -17.625 -15.018 1.00 0.00 H new ATOM 1075 N ASN B 70 2.387 -16.580 -14.408 1.00 0.00 N ATOM 1076 CA ASN B 70 2.055 -16.375 -13.011 1.00 0.00 C ATOM 1077 C ASN B 70 1.796 -17.724 -12.346 1.00 0.00 C ATOM 1078 O ASN B 70 0.978 -18.508 -12.821 1.00 0.00 O ATOM 1079 CB ASN B 70 0.838 -15.449 -12.907 1.00 0.00 C ATOM 1080 CG ASN B 70 0.499 -15.101 -11.463 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.321 -15.276 -10.567 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.710 -14.604 -11.233 1.00 0.00 N ATOM 0 H ASN B 70 1.649 -16.323 -15.064 1.00 0.00 H new ATOM 0 HA ASN B 70 2.886 -15.899 -12.491 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.033 -14.532 -13.463 1.00 0.00 H new ATOM 0 HB3 ASN B 70 -0.022 -15.929 -13.374 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.986 -14.352 -10.284 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.363 -14.474 -12.005 1.00 0.00 H new ATOM 1089 N GLY B 71 2.498 -17.994 -11.244 1.00 0.00 N ATOM 1090 CA GLY B 71 2.342 -19.227 -10.485 1.00 0.00 C ATOM 1091 C GLY B 71 3.240 -20.339 -11.018 1.00 0.00 C ATOM 1092 O GLY B 71 3.303 -21.410 -10.416 1.00 0.00 O ATOM 0 H GLY B 71 3.193 -17.357 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.577 -19.041 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.302 -19.549 -10.526 1.00 0.00 H new ATOM 1096 N LYS B 72 3.933 -20.095 -12.135 1.00 0.00 N ATOM 1097 CA LYS B 72 4.907 -20.999 -12.705 1.00 0.00 C ATOM 1098 C LYS B 72 6.233 -20.837 -11.981 1.00 0.00 C ATOM 1099 O LYS B 72 6.271 -20.435 -10.823 1.00 0.00 O ATOM 1100 CB LYS B 72 5.048 -20.655 -14.179 1.00 0.00 C ATOM 1101 CG LYS B 72 3.714 -20.651 -14.926 1.00 0.00 C ATOM 1102 CD LYS B 72 3.001 -21.996 -14.802 1.00 0.00 C ATOM 1103 CE LYS B 72 1.708 -21.970 -15.613 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.996 -23.258 -15.527 1.00 0.00 N ATOM 0 H LYS B 72 3.820 -19.236 -12.674 1.00 0.00 H new ATOM 0 HA LYS B 72 4.591 -22.037 -12.598 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.513 -19.674 -14.274 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.719 -21.373 -14.651 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.076 -19.861 -14.529 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.885 -20.424 -15.978 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.649 -22.796 -15.159 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.781 -22.207 -13.755 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.063 -21.171 -15.248 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.934 -21.746 -16.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 0.122 -23.209 -16.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.604 -24.016 -15.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.760 -23.458 -14.534 1.00 0.00 H new ATOM 1118 N SER B 73 7.318 -21.153 -12.680 1.00 0.00 N ATOM 1119 CA SER B 73 8.648 -21.172 -12.103 1.00 0.00 C ATOM 1120 C SER B 73 9.691 -20.605 -13.043 1.00 0.00 C ATOM 1121 O SER B 73 9.499 -20.546 -14.258 1.00 0.00 O ATOM 1122 CB SER B 73 8.946 -22.627 -11.761 1.00 0.00 C ATOM 1123 OG SER B 73 10.184 -22.761 -11.099 1.00 0.00 O ATOM 0 H SER B 73 7.294 -21.404 -13.668 1.00 0.00 H new ATOM 0 HA SER B 73 8.685 -20.539 -11.216 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.150 -23.023 -11.130 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.955 -23.222 -12.674 1.00 0.00 H new ATOM 0 HG SER B 73 10.344 -23.706 -10.892 1.00 0.00 H new ATOM 1129 N LEU B 74 10.806 -20.187 -12.445 1.00 0.00 N ATOM 1130 CA LEU B 74 11.941 -19.655 -13.168 1.00 0.00 C ATOM 1131 C LEU B 74 13.195 -20.294 -12.627 1.00 0.00 C ATOM 1132 O LEU B 74 13.429 -20.267 -11.419 1.00 0.00 O ATOM 1133 CB LEU B 74 12.058 -18.148 -12.962 1.00 0.00 C ATOM 1134 CG LEU B 74 12.379 -17.381 -14.241 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.555 -17.948 -15.033 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.144 -17.388 -15.128 1.00 0.00 C ATOM 0 H LEU B 74 10.940 -20.212 -11.434 1.00 0.00 H new ATOM 0 HA LEU B 74 11.809 -19.865 -14.229 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.122 -17.772 -12.548 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.835 -17.950 -12.224 1.00 0.00 H new ATOM 0 HG LEU B 74 12.668 -16.374 -13.939 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.716 -17.345 -15.927 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.453 -17.929 -14.415 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.336 -18.976 -15.323 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.354 -16.844 -16.049 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.874 -18.416 -15.368 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.317 -16.909 -14.604 1.00 0.00 H new ATOM 1148 N ASP B 75 13.995 -20.863 -13.531 1.00 0.00 N ATOM 1149 CA ASP B 75 15.242 -21.537 -13.212 1.00 0.00 C ATOM 1150 C ASP B 75 15.074 -22.742 -12.296 1.00 0.00 C ATOM 1151 O ASP B 75 15.935 -23.618 -12.258 1.00 0.00 O ATOM 1152 CB ASP B 75 16.197 -20.505 -12.607 1.00 0.00 C ATOM 1153 CG ASP B 75 17.662 -20.880 -12.820 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.124 -21.854 -12.189 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.316 -20.179 -13.625 1.00 0.00 O ATOM 0 H ASP B 75 13.783 -20.864 -14.529 1.00 0.00 H new ATOM 0 HA ASP B 75 15.651 -21.949 -14.135 1.00 0.00 H new ATOM 0 HB2 ASP B 75 16.005 -19.529 -13.053 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.999 -20.412 -11.539 1.00 0.00 H new ATOM 1160 N GLY B 76 13.972 -22.798 -11.559 1.00 0.00 N ATOM 1161 CA GLY B 76 13.714 -23.890 -10.658 1.00 0.00 C ATOM 1162 C GLY B 76 12.833 -23.491 -9.472 1.00 0.00 C ATOM 1163 O GLY B 76 12.435 -24.360 -8.696 1.00 0.00 O ATOM 0 H GLY B 76 13.241 -22.087 -11.576 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.232 -24.700 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.662 -24.278 -10.285 1.00 0.00 H new ATOM 1167 N LYS B 77 12.528 -22.197 -9.316 1.00 0.00 N ATOM 1168 CA LYS B 77 11.807 -21.679 -8.162 1.00 0.00 C ATOM 1169 C LYS B 77 10.503 -21.027 -8.605 1.00 0.00 C ATOM 1170 O LYS B 77 10.483 -20.270 -9.577 1.00 0.00 O ATOM 1171 CB LYS B 77 12.686 -20.694 -7.384 1.00 0.00 C ATOM 1172 CG LYS B 77 14.068 -21.275 -7.089 1.00 0.00 C ATOM 1173 CD LYS B 77 13.994 -22.544 -6.232 1.00 0.00 C ATOM 1174 CE LYS B 77 15.371 -23.205 -6.210 1.00 0.00 C ATOM 1175 NZ LYS B 77 15.379 -24.399 -5.343 1.00 0.00 N ATOM 0 H LYS B 77 12.780 -21.480 -9.996 1.00 0.00 H new ATOM 0 HA LYS B 77 11.561 -22.506 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.794 -19.773 -7.957 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.195 -20.431 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.572 -21.502 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.672 -20.527 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.678 -22.297 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.252 -23.231 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.658 -23.487 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS B 77 16.114 -22.491 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.327 -24.826 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 15.129 -24.124 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.687 -25.090 -5.697 1.00 0.00 H new ATOM 1189 N ALA B 78 9.417 -21.322 -7.890 1.00 0.00 N ATOM 1190 CA ALA B 78 8.095 -20.850 -8.256 1.00 0.00 C ATOM 1191 C ALA B 78 7.956 -19.348 -8.040 1.00 0.00 C ATOM 1192 O ALA B 78 8.432 -18.813 -7.038 1.00 0.00 O ATOM 1193 CB ALA B 78 7.037 -21.631 -7.484 1.00 0.00 C ATOM 0 H ALA B 78 9.436 -21.893 -7.045 1.00 0.00 H new ATOM 0 HA ALA B 78 7.946 -21.025 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.046 -21.273 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.120 -22.691 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.188 -21.488 -6.414 1.00 0.00 H new ATOM 1199 N ILE B 79 7.301 -18.671 -8.985 1.00 0.00 N ATOM 1200 CA ILE B 79 7.177 -17.219 -8.982 1.00 0.00 C ATOM 1201 C ILE B 79 5.738 -16.719 -8.958 1.00 0.00 C ATOM 1202 O ILE B 79 4.780 -17.491 -8.956 1.00 0.00 O ATOM 1203 CB ILE B 79 7.876 -16.641 -10.218 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.073 -16.931 -11.494 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.295 -17.187 -10.354 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.625 -16.145 -12.683 1.00 0.00 C ATOM 0 H ILE B 79 6.841 -19.120 -9.776 1.00 0.00 H new ATOM 0 HA ILE B 79 7.647 -16.880 -8.059 1.00 0.00 H new ATOM 0 HB ILE B 79 7.934 -15.561 -10.085 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.106 -17.998 -11.713 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.027 -16.670 -11.336 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.766 -16.760 -11.239 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.874 -16.920 -9.470 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.260 -18.272 -10.450 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.037 -16.370 -13.573 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.568 -15.077 -12.471 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.664 -16.426 -12.854 1.00 0.00 H new ATOM 1218 N LYS B 80 5.628 -15.388 -8.945 1.00 0.00 N ATOM 1219 CA LYS B 80 4.404 -14.637 -9.130 1.00 0.00 C ATOM 1220 C LYS B 80 4.628 -13.657 -10.273 1.00 0.00 C ATOM 1221 O LYS B 80 5.733 -13.139 -10.420 1.00 0.00 O ATOM 1222 CB LYS B 80 4.069 -13.867 -7.852 1.00 0.00 C ATOM 1223 CG LYS B 80 2.678 -13.233 -7.965 1.00 0.00 C ATOM 1224 CD LYS B 80 2.344 -12.435 -6.708 1.00 0.00 C ATOM 1225 CE LYS B 80 0.958 -11.810 -6.871 1.00 0.00 C ATOM 1226 NZ LYS B 80 0.581 -11.047 -5.668 1.00 0.00 N ATOM 0 H LYS B 80 6.436 -14.784 -8.797 1.00 0.00 H new ATOM 0 HA LYS B 80 3.577 -15.309 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.102 -14.539 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.816 -13.093 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.641 -12.580 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS B 80 1.930 -14.011 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.364 -13.085 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.091 -11.658 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS B 80 0.951 -11.153 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.222 -12.592 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -0.363 -10.632 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 0.567 -11.682 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.273 -10.288 -5.507 1.00 0.00 H new ATOM 1240 N VAL B 81 3.595 -13.397 -11.075 1.00 0.00 N ATOM 1241 CA VAL B 81 3.667 -12.390 -12.119 1.00 0.00 C ATOM 1242 C VAL B 81 2.420 -11.529 -12.045 1.00 0.00 C ATOM 1243 O VAL B 81 1.304 -12.045 -12.005 1.00 0.00 O ATOM 1244 CB VAL B 81 3.849 -13.032 -13.497 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.001 -11.948 -14.558 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.107 -13.903 -13.515 1.00 0.00 C ATOM 0 H VAL B 81 2.696 -13.876 -11.016 1.00 0.00 H new ATOM 0 HA VAL B 81 4.541 -11.757 -11.965 1.00 0.00 H new ATOM 0 HB VAL B 81 2.972 -13.645 -13.707 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.130 -12.412 -15.536 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.109 -11.321 -14.568 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.873 -11.335 -14.329 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.224 -14.353 -14.501 1.00 0.00 H new ATOM 0 HG22 VAL B 81 5.979 -13.288 -13.291 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.016 -14.689 -12.766 1.00 0.00 H new ATOM 1256 N GLU B 82 2.612 -10.209 -12.023 1.00 0.00 N ATOM 1257 CA GLU B 82 1.531 -9.264 -11.806 1.00 0.00 C ATOM 1258 C GLU B 82 1.944 -7.907 -12.365 1.00 0.00 C ATOM 1259 O GLU B 82 3.129 -7.682 -12.604 1.00 0.00 O ATOM 1260 CB GLU B 82 1.280 -9.181 -10.295 1.00 0.00 C ATOM 1261 CG GLU B 82 0.057 -8.340 -9.925 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.175 -8.373 -8.415 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -0.894 -9.290 -7.959 1.00 0.00 O ATOM 1264 OE2 GLU B 82 0.372 -7.482 -7.727 1.00 0.00 O ATOM 0 H GLU B 82 3.524 -9.771 -12.156 1.00 0.00 H new ATOM 0 HA GLU B 82 0.617 -9.579 -12.309 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.151 -10.189 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.161 -8.759 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.202 -7.311 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.824 -8.720 -10.443 1.00 0.00 H new ATOM 1271 N GLN B 83 1.003 -6.989 -12.581 1.00 0.00 N ATOM 1272 CA GLN B 83 1.358 -5.635 -12.971 1.00 0.00 C ATOM 1273 C GLN B 83 2.115 -4.997 -11.806 1.00 0.00 C ATOM 1274 O GLN B 83 1.732 -5.148 -10.647 1.00 0.00 O ATOM 1275 CB GLN B 83 0.079 -4.872 -13.331 1.00 0.00 C ATOM 1276 CG GLN B 83 0.259 -3.356 -13.368 1.00 0.00 C ATOM 1277 CD GLN B 83 1.258 -2.876 -14.407 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.232 -3.293 -15.561 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.151 -1.984 -13.988 1.00 0.00 N ATOM 0 H GLN B 83 0.001 -7.160 -12.493 1.00 0.00 H new ATOM 0 HA GLN B 83 2.003 -5.617 -13.850 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.274 -5.211 -14.305 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.697 -5.119 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.707 -2.891 -13.566 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.582 -3.015 -12.384 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.137 -1.664 -13.020 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.850 -1.620 -14.635 1.00 0.00 H new ATOM 1288 N ALA B 84 3.198 -4.282 -12.116 1.00 0.00 N ATOM 1289 CA ALA B 84 4.075 -3.733 -11.096 1.00 0.00 C ATOM 1290 C ALA B 84 3.462 -2.531 -10.389 1.00 0.00 C ATOM 1291 O ALA B 84 2.601 -1.840 -10.939 1.00 0.00 O ATOM 1292 CB ALA B 84 5.403 -3.327 -11.729 1.00 0.00 C ATOM 0 H ALA B 84 3.485 -4.072 -13.072 1.00 0.00 H new ATOM 0 HA ALA B 84 4.231 -4.510 -10.347 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.060 -2.915 -10.963 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.874 -4.201 -12.179 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.225 -2.574 -12.497 1.00 0.00 H new ATOM 1298 N THR B 85 3.923 -2.288 -9.162 1.00 0.00 N ATOM 1299 CA THR B 85 3.563 -1.106 -8.395 1.00 0.00 C ATOM 1300 C THR B 85 4.825 -0.324 -8.057 1.00 0.00 C ATOM 1301 O THR B 85 5.938 -0.759 -8.351 1.00 0.00 O ATOM 1302 CB THR B 85 2.796 -1.476 -7.127 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.570 -2.339 -6.324 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.479 -2.166 -7.476 1.00 0.00 C ATOM 0 H THR B 85 4.562 -2.914 -8.672 1.00 0.00 H new ATOM 0 HA THR B 85 2.903 -0.483 -8.999 1.00 0.00 H new ATOM 0 HB THR B 85 2.585 -0.557 -6.580 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.069 -2.568 -5.513 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.948 -2.421 -6.559 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.865 -1.495 -8.076 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.683 -3.075 -8.042 1.00 0.00 H new